smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000071825374 203120920 /nfs/dbraw/zinc/12/09/20/203120920.db2.gz IDCQMBWWRYJUOP-QGZVFWFLSA-N 2 0 334.467 3.161 10 30 EGEERP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000134205470 454516393 /nfs/dbraw/zinc/51/63/93/454516393.db2.gz WXHBJYBQPWCBIC-KRWDZBQOSA-N 2 0 327.472 3.285 10 30 EGEERP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594504047 459065047 /nfs/dbraw/zinc/06/50/47/459065047.db2.gz GEEXNOWBMUDDIE-UHFFFAOYSA-N 2 0 349.482 3.247 10 30 EGEERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618742628 460152215 /nfs/dbraw/zinc/15/22/15/460152215.db2.gz NIAJDIQVZDPCJQ-FQEVSTJZSA-N 2 0 329.407 3.225 10 30 EGEERP C=CCOc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785500 461895161 /nfs/dbraw/zinc/89/51/61/461895161.db2.gz KXKIBKRMYAZRSG-IBGZPJMESA-N 2 0 344.499 3.472 10 30 EGEERP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000651727896 462317744 /nfs/dbraw/zinc/31/77/44/462317744.db2.gz DJZGTCXBFMISAZ-XLIONFOSSA-N 2 0 328.500 3.478 10 30 EGEERP C#CCCCCCC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000877590485 1299418718 /nfs/dbraw/zinc/41/87/18/1299418718.db2.gz YWCRJILOLICYHA-UHFFFAOYSA-N 2 0 328.500 3.187 10 30 EGEERP C=CCC[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000883170116 1302283161 /nfs/dbraw/zinc/28/31/61/1302283161.db2.gz LRNQNZOFXKGKFG-FQEVSTJZSA-N 2 0 329.532 3.180 10 30 EGEERP C=CCC[C@H](Cc1ccccc1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000883218270 1302314602 /nfs/dbraw/zinc/31/46/02/1302314602.db2.gz XIERPGJGRGREHW-TZIWHRDSSA-N 2 0 329.532 3.180 10 30 EGEERP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000921980955 1322434538 /nfs/dbraw/zinc/43/45/38/1322434538.db2.gz QVKNEMMFDKMOTB-NRFANRHFSA-N 2 0 349.478 3.032 10 30 EGEERP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000921980958 1322434558 /nfs/dbraw/zinc/43/45/58/1322434558.db2.gz QVKNEMMFDKMOTB-OAQYLSRUSA-N 2 0 349.478 3.032 10 30 EGEERP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941075276 1331320821 /nfs/dbraw/zinc/32/08/21/1331320821.db2.gz JZQXRMOTSCWOJB-ROUUACIJSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941092264 1331330050 /nfs/dbraw/zinc/33/00/50/1331330050.db2.gz CKXSUSFNAHXDTK-LJQANCHMSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1CC ZINC001323148145 1387303013 /nfs/dbraw/zinc/30/30/13/1387303013.db2.gz JSFZAAQBDCSJSO-QUCCMNQESA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH]cn1)C1CCCCCC1 ZINC001323721038 1387430023 /nfs/dbraw/zinc/43/00/23/1387430023.db2.gz CMVUQGFKJLAPKH-QGZVFWFLSA-N 2 0 346.519 3.305 10 30 EGEERP C=CCCC[NH+]1CCC(C)(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001324323907 1387592017 /nfs/dbraw/zinc/59/20/17/1387592017.db2.gz TZBSLAPJWDZDRA-UHFFFAOYSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001325899328 1388071953 /nfs/dbraw/zinc/07/19/53/1388071953.db2.gz OZIISSSGYWHQID-RTBURBONSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001326585616 1388248689 /nfs/dbraw/zinc/24/86/89/1388248689.db2.gz JCWKZEYFUJZLCU-UHFFFAOYSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001327149300 1388406915 /nfs/dbraw/zinc/40/69/15/1388406915.db2.gz XXGIQIYDVODSTO-ZWKOTPCHSA-N 2 0 337.552 3.290 10 30 EGEERP C=CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001266659317 1377362142 /nfs/dbraw/zinc/36/21/42/1377362142.db2.gz NPVZILRNEQVLLJ-QUCCMNQESA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001327478703 1388531159 /nfs/dbraw/zinc/53/11/59/1388531159.db2.gz LWRXFTUCYNPAHR-RTBURBONSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc2C1 ZINC001327695943 1388585828 /nfs/dbraw/zinc/58/58/28/1388585828.db2.gz MAODISVRFXAVCN-OXJNMPFZSA-N 2 0 343.515 3.313 10 30 EGEERP C=C(C)CC[N@@H+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C(C)C ZINC001284536324 1379942956 /nfs/dbraw/zinc/94/29/56/1379942956.db2.gz HYMOWQKKHHBSHN-OALUTQOASA-N 2 0 335.536 3.138 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001284686903 1380098412 /nfs/dbraw/zinc/09/84/12/1380098412.db2.gz ZEOPQISBYPCHEP-ZWKOTPCHSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001284920653 1380311858 /nfs/dbraw/zinc/31/18/58/1380311858.db2.gz IWZXPBOBTHNUCJ-FQEVSTJZSA-N 2 0 345.531 3.108 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001328097632 1388669464 /nfs/dbraw/zinc/66/94/64/1388669464.db2.gz GXOQIVIYQJFDDA-GOSISDBHSA-N 2 0 349.563 3.269 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001328361227 1388729684 /nfs/dbraw/zinc/72/96/84/1388729684.db2.gz CMFOHDHIRYMXSD-CABCVRRESA-N 2 0 328.460 3.095 10 30 EGEERP C=CC[C@H]1CC[C@H]([NH2+]CCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001308555925 1384133089 /nfs/dbraw/zinc/13/30/89/1384133089.db2.gz VOTNYEXJWWESTH-PMACEKPBSA-N 2 0 327.516 3.315 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001316670534 1384513896 /nfs/dbraw/zinc/51/38/96/1384513896.db2.gz PGBZUUAGWDADTI-OALUTQOASA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1CC ZINC001316737220 1384552153 /nfs/dbraw/zinc/55/21/53/1384552153.db2.gz WKDSSSOVGIZHEK-CEXWTWQISA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001316774007 1384572706 /nfs/dbraw/zinc/57/27/06/1384572706.db2.gz SCWFZFQKFQYZCH-WOJBJXKFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001316790462 1384584168 /nfs/dbraw/zinc/58/41/68/1384584168.db2.gz VBKDKKVINLADKF-YZGWKJHDSA-N 2 0 347.547 3.329 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001317192487 1384966805 /nfs/dbraw/zinc/96/68/05/1384966805.db2.gz ODSOEHVJPGFUCQ-ROUUACIJSA-N 2 0 337.552 3.290 10 30 EGEERP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317213596 1384994054 /nfs/dbraw/zinc/99/40/54/1384994054.db2.gz GIDVRSZIHLWRLK-WKWVNEEDSA-N 2 0 349.563 3.124 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317521842 1385239952 /nfs/dbraw/zinc/23/99/52/1385239952.db2.gz FFATZBDSWRNOFL-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001317869403 1385551524 /nfs/dbraw/zinc/55/15/24/1385551524.db2.gz BZJYPCMCBGNUQS-UYAOXDASSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001698627799 1406270396 /nfs/dbraw/zinc/27/03/96/1406270396.db2.gz VYNQXTNCCCRWJA-QZTJIDSGSA-N 2 0 335.536 3.233 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001319807638 1386306324 /nfs/dbraw/zinc/30/63/24/1386306324.db2.gz IYVUBWPOPIGLSU-DOTOQJQBSA-N 2 0 340.471 3.049 10 30 EGEERP C=CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001319881891 1386358578 /nfs/dbraw/zinc/35/85/78/1386358578.db2.gz VIUZXTUOQVOJPM-FQEVSTJZSA-N 2 0 349.563 3.243 10 30 EGEERP CS[C@@H]1CC[C@H]([NH+](C)CC#CC[N@@H+](C)[C@H]2CC[C@@H](SC)C2)C1 ZINC001321742954 1386972161 /nfs/dbraw/zinc/97/21/61/1386972161.db2.gz JOWZFHOHZPYGBO-WNRNVDISSA-N 2 0 340.602 3.422 10 30 EGEERP C=C(C)C[NH2+]CC1(NC(=O)[C@H](C)[NH+]2CCCCCC2)CCCCC1 ZINC001329848034 1389236223 /nfs/dbraw/zinc/23/62/23/1389236223.db2.gz HRYHDTDBPGKPQF-SFHVURJKSA-N 2 0 335.536 3.236 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001330499000 1389431223 /nfs/dbraw/zinc/43/12/23/1389431223.db2.gz CPQFDJHXMHIGLT-RBUKOAKNSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001331060507 1389615732 /nfs/dbraw/zinc/61/57/32/1389615732.db2.gz WLMDGGARUYIKMV-GOSISDBHSA-N 2 0 349.563 3.384 10 30 EGEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001331440309 1389749590 /nfs/dbraw/zinc/74/95/90/1389749590.db2.gz RUUOPFGIXAPTCV-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001479745468 1392361383 /nfs/dbraw/zinc/36/13/83/1392361383.db2.gz LGTQJLXBWHCQCI-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001479823481 1392412515 /nfs/dbraw/zinc/41/25/15/1392412515.db2.gz DZTFHKZXWPPRCS-HNAYVOBHSA-N 2 0 340.471 3.192 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001480652225 1392837230 /nfs/dbraw/zinc/83/72/30/1392837230.db2.gz HLHMKBDQPLTJMR-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480829939 1392969228 /nfs/dbraw/zinc/96/92/28/1392969228.db2.gz PXBXGCUGROQUNX-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001490597299 1394278667 /nfs/dbraw/zinc/27/86/67/1394278667.db2.gz OYTVNMPAFPJFFU-RTBURBONSA-N 2 0 349.563 3.412 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001491269397 1394497854 /nfs/dbraw/zinc/49/78/54/1394497854.db2.gz AUTUMKMMIKQCTQ-PMACEKPBSA-N 2 0 343.515 3.226 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001491360263 1394512020 /nfs/dbraw/zinc/51/20/20/1394512020.db2.gz DKNBQKKHKCAGRD-LMDPOFIKSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001481986160 1394648177 /nfs/dbraw/zinc/64/81/77/1394648177.db2.gz JVHQMPSHRGBSHL-PMACEKPBSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001484126559 1395266422 /nfs/dbraw/zinc/26/64/22/1395266422.db2.gz WVLVLDCVQCQQRT-CTNGQTDRSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001484145723 1395282161 /nfs/dbraw/zinc/28/21/61/1395282161.db2.gz ZOFADEHPHLWROM-MOPGFXCFSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001485573611 1396039911 /nfs/dbraw/zinc/03/99/11/1396039911.db2.gz CYAFANBUHZUKQO-IRXDYDNUSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001505397390 1396284993 /nfs/dbraw/zinc/28/49/93/1396284993.db2.gz DQSQSDXQPOQZEC-UXHICEINSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001689082959 1396882971 /nfs/dbraw/zinc/88/29/71/1396882971.db2.gz CBHIDHVTCXDKQH-QYZOEREBSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001690216081 1404424069 /nfs/dbraw/zinc/42/40/69/1404424069.db2.gz IYASQYJRNOXIQX-VNTMZGSJSA-N 2 0 347.547 3.137 10 30 EGEERP C=C(C)C[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001690493005 1404607175 /nfs/dbraw/zinc/60/71/75/1404607175.db2.gz XTPCXWUNOQVGRC-RBUKOAKNSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001691086609 1405020198 /nfs/dbraw/zinc/02/01/98/1405020198.db2.gz UPYKIKRDTHMYGT-WBVHZDCISA-N 2 0 340.471 3.192 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001691614401 1405358008 /nfs/dbraw/zinc/35/80/08/1405358008.db2.gz XJPMQVVPIYYGKW-MOPGFXCFSA-N 2 0 337.552 3.412 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001691620613 1405361237 /nfs/dbraw/zinc/36/12/37/1405361237.db2.gz MIRBSJZZPWXVAR-QZTJIDSGSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001691628736 1405366052 /nfs/dbraw/zinc/36/60/52/1405366052.db2.gz BHUYKKWLOPLXOM-WOJBJXKFSA-N 2 0 349.563 3.435 10 30 EGEERP CCCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691637111 1405373097 /nfs/dbraw/zinc/37/30/97/1405373097.db2.gz SNGIEMGYKVEKKO-MOPGFXCFSA-N 2 0 337.552 3.269 10 30 EGEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001732235607 1428482189 /nfs/dbraw/zinc/48/21/89/1428482189.db2.gz LMMPVXOWAJCYHA-SFHVURJKSA-N 2 0 335.536 3.236 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001732492660 1428615236 /nfs/dbraw/zinc/61/52/36/1428615236.db2.gz WXVMIOWRPNXPRU-ZWKOTPCHSA-N 2 0 337.552 3.268 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001699067222 1412493637 /nfs/dbraw/zinc/49/36/37/1412493637.db2.gz UAICJVSVVIDAIU-UXHICEINSA-N 2 0 343.515 3.203 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1CC ZINC001699610460 1412974918 /nfs/dbraw/zinc/97/49/18/1412974918.db2.gz SGBVRQRBFHXNNI-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699683684 1413079025 /nfs/dbraw/zinc/07/90/25/1413079025.db2.gz JFFMZNBYEPSMJK-MOPGFXCFSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001732544469 1428717184 /nfs/dbraw/zinc/71/71/84/1428717184.db2.gz LIGDABBESCRVMD-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001732547740 1428725457 /nfs/dbraw/zinc/72/54/57/1428725457.db2.gz ZZJXDMYONAVYEA-YLJYHZDGSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001700089843 1413500824 /nfs/dbraw/zinc/50/08/24/1413500824.db2.gz GRARCEWEWSGGQV-FQEVSTJZSA-N 2 0 343.515 3.185 10 30 EGEERP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001700221777 1413669314 /nfs/dbraw/zinc/66/93/14/1413669314.db2.gz BWRIYCMFBDQTLY-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700352683 1413847905 /nfs/dbraw/zinc/84/79/05/1413847905.db2.gz CZIDJZBKXCFJEB-GOSISDBHSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001700437740 1414006297 /nfs/dbraw/zinc/00/62/97/1414006297.db2.gz PQRSOWAMXWGFAT-LMDPOFIKSA-N 2 0 347.547 3.329 10 30 EGEERP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001700443251 1414016111 /nfs/dbraw/zinc/01/61/11/1414016111.db2.gz YQRHCVHZAFXVNS-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001700572155 1414242230 /nfs/dbraw/zinc/24/22/30/1414242230.db2.gz YGSXOUKRBBTRRH-KURKYZTESA-N 2 0 337.552 3.124 10 30 EGEERP C=CCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001701007154 1414663798 /nfs/dbraw/zinc/66/37/98/1414663798.db2.gz FPXHKJFBJNYOHU-UYAOXDASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001701012856 1414674045 /nfs/dbraw/zinc/67/40/45/1414674045.db2.gz BOOLMAAXTZOIIR-AZUAARDMSA-N 2 0 349.563 3.290 10 30 EGEERP CCCCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001707267795 1417275158 /nfs/dbraw/zinc/27/51/58/1417275158.db2.gz JUCUYKWAUZFHIU-OALUTQOASA-N 2 0 337.552 3.364 10 30 EGEERP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001713057189 1417611306 /nfs/dbraw/zinc/61/13/06/1417611306.db2.gz FBJLWZHXDKRZDL-FQEVSTJZSA-N 2 0 343.515 3.178 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001713087033 1417633605 /nfs/dbraw/zinc/63/36/05/1417633605.db2.gz BUSBJZLRGDHOIE-OALUTQOASA-N 2 0 337.552 3.410 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713088091 1417635419 /nfs/dbraw/zinc/63/54/19/1417635419.db2.gz WXAHMLHNZQQQQH-IBGZPJMESA-N 2 0 337.552 3.268 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001713266977 1417875899 /nfs/dbraw/zinc/87/58/99/1417875899.db2.gz OYGRGUNOXKITLU-OALUTQOASA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001713433996 1418063558 /nfs/dbraw/zinc/06/35/58/1418063558.db2.gz AKKZPBIHVYJEBF-KRWDZBQOSA-N 2 0 340.471 3.193 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713720086 1418491442 /nfs/dbraw/zinc/49/14/42/1418491442.db2.gz NUDJMCIULBWVKZ-MOPGFXCFSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001713753483 1418555711 /nfs/dbraw/zinc/55/57/11/1418555711.db2.gz MLVWNTFZQQVEBY-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001713804828 1418617953 /nfs/dbraw/zinc/61/79/53/1418617953.db2.gz AMOQGHJKTKZMGD-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001713951609 1418735769 /nfs/dbraw/zinc/73/57/69/1418735769.db2.gz GNOIKALJXODVLU-MKXGPGLRSA-N 2 0 335.536 3.211 10 30 EGEERP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001714043887 1418835642 /nfs/dbraw/zinc/83/56/42/1418835642.db2.gz DJPSOKHMEODMMD-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001714141878 1418944381 /nfs/dbraw/zinc/94/43/81/1418944381.db2.gz JIVGCBRDDKOHBB-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001714448467 1419180844 /nfs/dbraw/zinc/18/08/44/1419180844.db2.gz KDQKEEUSJGWYFH-RTBURBONSA-N 2 0 337.552 3.221 10 30 EGEERP C=CCC[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001715205043 1419938957 /nfs/dbraw/zinc/93/89/57/1419938957.db2.gz ZCASNFRBRJNZAQ-HXUWFJFHSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001715458482 1420139165 /nfs/dbraw/zinc/13/91/65/1420139165.db2.gz IYJZJDAQOXBCPY-QUCCMNQESA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001715472194 1420151420 /nfs/dbraw/zinc/15/14/20/1420151420.db2.gz HLDVWMFYPAZXLJ-YLJYHZDGSA-N 2 0 343.515 3.155 10 30 EGEERP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001715479352 1420158303 /nfs/dbraw/zinc/15/83/03/1420158303.db2.gz VYVXJOWOIVGNOX-WMZOPIPTSA-N 2 0 347.503 3.138 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001716063631 1420523148 /nfs/dbraw/zinc/52/31/48/1420523148.db2.gz PLKYRUWGTWEQHJ-WMZOPIPTSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001716715046 1420870807 /nfs/dbraw/zinc/87/08/07/1420870807.db2.gz JSKQMNWLTCFCLN-HDICACEKSA-N 2 0 347.547 3.138 10 30 EGEERP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001716846184 1420973709 /nfs/dbraw/zinc/97/37/09/1420973709.db2.gz KTNIXSRIJXNORH-HXUWFJFHSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001716868896 1420996952 /nfs/dbraw/zinc/99/69/52/1420996952.db2.gz DGFVNSFJYKJZAY-OAQYLSRUSA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001717042040 1421096425 /nfs/dbraw/zinc/09/64/25/1421096425.db2.gz DEQWKKLQJVACGO-HSALFYBXSA-N 2 0 349.563 3.221 10 30 EGEERP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001717116501 1421120886 /nfs/dbraw/zinc/12/08/86/1421120886.db2.gz KPOMKFGKHTVFQT-FQEVSTJZSA-N 2 0 343.515 3.185 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001717123961 1421126466 /nfs/dbraw/zinc/12/64/66/1421126466.db2.gz OQCCQPZEXPGFMH-WGSAOQKQSA-N 2 0 349.563 3.339 10 30 EGEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001717240287 1421208457 /nfs/dbraw/zinc/20/84/57/1421208457.db2.gz RKXCMDOBIOFHEW-INIZCTEOSA-N 2 0 343.943 3.220 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)CCc3c[nH]cn3)C2)CC1 ZINC001733290113 1429468653 /nfs/dbraw/zinc/46/86/53/1429468653.db2.gz BNVZQFNEVLFTRL-QGZVFWFLSA-N 2 0 344.503 3.012 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001717449248 1421379240 /nfs/dbraw/zinc/37/92/40/1421379240.db2.gz BPIMAMMHCFHUSF-MHJFOBGBSA-N 2 0 349.563 3.432 10 30 EGEERP 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 1421453182 /nfs/dbraw/zinc/45/31/82/1421453182.db2.gz ZNHOJBPVVIJXPH-FHWLQOOXSA-N 2 0 337.552 3.146 10 30 EGEERP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001717553669 1421490721 /nfs/dbraw/zinc/49/07/21/1421490721.db2.gz UWSXUVLRHGUQKH-GOSISDBHSA-N 2 0 347.547 3.045 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001717624388 1421533181 /nfs/dbraw/zinc/53/31/81/1421533181.db2.gz QRLZOHXJYYBEMT-XUVXKRRUSA-N 2 0 349.563 3.269 10 30 EGEERP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001717627006 1421535700 /nfs/dbraw/zinc/53/57/00/1421535700.db2.gz KWEVXGNJFAZPQS-XUVXKRRUSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001717796376 1421627212 /nfs/dbraw/zinc/62/72/12/1421627212.db2.gz PWMPUTPVYSBEBR-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001723872903 1424593309 /nfs/dbraw/zinc/59/33/09/1424593309.db2.gz GVPHPUTWEDFEHR-XLIONFOSSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001724322690 1424809079 /nfs/dbraw/zinc/80/90/79/1424809079.db2.gz GTMULONIEZQDHE-FQEVSTJZSA-N 2 0 340.471 3.051 10 30 EGEERP C=C(C)CC[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001724740960 1425105587 /nfs/dbraw/zinc/10/55/87/1425105587.db2.gz MRIFNPCNZSWFEO-SFHVURJKSA-N 2 0 343.515 3.043 10 30 EGEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001724742897 1425109754 /nfs/dbraw/zinc/10/97/54/1425109754.db2.gz CTQCYYDJJSLZDB-VQIMIIECSA-N 2 0 329.488 3.014 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001724754992 1425125727 /nfs/dbraw/zinc/12/57/27/1425125727.db2.gz VANWLZPSXRJRSA-LWYYNNOASA-N 2 0 347.547 3.234 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001724968258 1425365161 /nfs/dbraw/zinc/36/51/61/1425365161.db2.gz ZYDIOCPANJETDG-GOSISDBHSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001725210059 1425769537 /nfs/dbraw/zinc/76/95/37/1425769537.db2.gz DHCHSLLFQDUJDM-VQTJNVASSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001725227754 1425797447 /nfs/dbraw/zinc/79/74/47/1425797447.db2.gz BLLPVIXRMTYQJV-RTBURBONSA-N 2 0 347.547 3.378 10 30 EGEERP C=CCCC[N@@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001725423121 1426077762 /nfs/dbraw/zinc/07/77/62/1426077762.db2.gz RPWKNGDRIZAKTQ-UHFFFAOYSA-N 2 0 340.471 3.145 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001725640793 1426317729 /nfs/dbraw/zinc/31/77/29/1426317729.db2.gz YPIGEDIZBUFDEK-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731418310 1427392329 /nfs/dbraw/zinc/39/23/29/1427392329.db2.gz VIAVPHPRUXOVOQ-OALUTQOASA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001731470936 1427450480 /nfs/dbraw/zinc/45/04/80/1427450480.db2.gz MEYLMUOFSKNTAQ-PMACEKPBSA-N 2 0 347.547 3.142 10 30 EGEERP CCCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001731536966 1427535937 /nfs/dbraw/zinc/53/59/37/1427535937.db2.gz PLYSLWZMUVJILC-PMACEKPBSA-N 2 0 349.563 3.269 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001731553842 1427577807 /nfs/dbraw/zinc/57/78/07/1427577807.db2.gz YYKPMHNIBAOZCL-RTBURBONSA-N 2 0 347.547 3.140 10 30 EGEERP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001731564198 1427602220 /nfs/dbraw/zinc/60/22/20/1427602220.db2.gz KNGVBWFGAMUIRX-UHZRXMQZSA-N 2 0 347.547 3.020 10 30 EGEERP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001733764233 1429984119 /nfs/dbraw/zinc/98/41/19/1429984119.db2.gz FUFWPOLERLMPBY-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]CC1(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001734092722 1437876930 /nfs/dbraw/zinc/87/69/30/1437876930.db2.gz RQRWJMFJFFDYOZ-QZTJIDSGSA-N 2 0 335.536 3.234 10 30 EGEERP C=CCCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001734192460 1437933812 /nfs/dbraw/zinc/93/38/12/1437933812.db2.gz FIEOGXREJDHHQT-OTWHNJEPSA-N 2 0 349.563 3.147 10 30 EGEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001734304567 1438035881 /nfs/dbraw/zinc/03/58/81/1438035881.db2.gz KXDLCYKOQSUBHN-PMACEKPBSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)C[N@@H+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001734549871 1438146547 /nfs/dbraw/zinc/14/65/47/1438146547.db2.gz ANLLJYKWOUCZEI-UHFFFAOYSA-N 2 0 328.460 3.001 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001750943814 1440117405 /nfs/dbraw/zinc/11/74/05/1440117405.db2.gz HEXRZOKPCNWCNM-PKOBYXMFSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001750945565 1440118498 /nfs/dbraw/zinc/11/84/98/1440118498.db2.gz SEOMPKAOSJNEHI-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C[N@@H+]1CC[C@H]([NH2+]CCSCc2ccccc2C#N)[C@@H]2CCC[C@H]21 ZINC000367616024 168249633 /nfs/dbraw/zinc/24/96/33/168249633.db2.gz MXKIYEHVKCBFKP-GBESFXJTSA-N 2 0 329.513 3.254 10 30 EGEERP C=CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000341924847 457004486 /nfs/dbraw/zinc/00/44/86/457004486.db2.gz GGGFYGXAIZPXDR-FQEVSTJZSA-N 2 0 341.499 3.027 10 30 EGEERP CC1(C#N)CCC([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000414309420 458317182 /nfs/dbraw/zinc/31/71/82/458317182.db2.gz RIPNTLABHBJGGS-UHFFFAOYSA-N 2 0 341.499 3.076 10 30 EGEERP C=CCc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc(OC)c1O ZINC000415054044 458327127 /nfs/dbraw/zinc/32/71/27/458327127.db2.gz PLMVPHRCCMBXJH-MSOLQXFVSA-N 2 0 330.472 3.093 10 30 EGEERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433019309 458828140 /nfs/dbraw/zinc/82/81/40/458828140.db2.gz MRZVRRHYKQKAMA-NRFANRHFSA-N 2 0 342.531 3.427 10 30 EGEERP CC[NH+](CC)CCO[C@H]1CCN(CC#Cc2ccccc2Cl)C1 ZINC000441163609 458895291 /nfs/dbraw/zinc/89/52/91/458895291.db2.gz FFADFUPNKCYDOR-SFHVURJKSA-N 2 0 334.891 3.124 10 30 EGEERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc(C#N)c1 ZINC000594712318 459137797 /nfs/dbraw/zinc/13/77/97/459137797.db2.gz VAHJMKIKZBJPJC-INIZCTEOSA-N 2 0 327.472 3.100 10 30 EGEERP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595069834 459236506 /nfs/dbraw/zinc/23/65/06/459236506.db2.gz LEQAQWKHKKHOGC-YADHBBJMSA-N 2 0 349.478 3.366 10 30 EGEERP C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000651663449 462295169 /nfs/dbraw/zinc/29/51/69/462295169.db2.gz LKMABFANCNXXPD-HMXCVIKNSA-N 2 0 327.516 3.310 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000876719247 1298937492 /nfs/dbraw/zinc/93/74/92/1298937492.db2.gz GQLYSZCHHHGCAF-KSSFIOAISA-N 2 0 349.906 3.005 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000876742254 1298952557 /nfs/dbraw/zinc/95/25/57/1298952557.db2.gz WQPIBRXUFHWGIE-SFHVURJKSA-N 2 0 349.906 3.149 10 30 EGEERP C=CCC[C@@H](Cc1ccccc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000883170924 1302283095 /nfs/dbraw/zinc/28/30/95/1302283095.db2.gz JESXTOYIOXBUSW-NRFANRHFSA-N 2 0 329.532 3.180 10 30 EGEERP CSc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1C#N ZINC000925774477 1325293128 /nfs/dbraw/zinc/29/31/28/1325293128.db2.gz VYMOLBXBVOEUIS-GFCCVEGCSA-N 2 0 326.469 3.293 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075495 1331321822 /nfs/dbraw/zinc/32/18/22/1331321822.db2.gz NCBHYBTULKTYBI-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001323684241 1387422272 /nfs/dbraw/zinc/42/22/72/1387422272.db2.gz KSDPVLIFVPOQDP-MOPGFXCFSA-N 2 0 347.547 3.282 10 30 EGEERP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001323860413 1387480873 /nfs/dbraw/zinc/48/08/73/1387480873.db2.gz RHWUKOMFTGLTGK-NRFANRHFSA-N 2 0 347.547 3.142 10 30 EGEERP CCCCCCC[NH+]1CCC(C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001324334387 1387596513 /nfs/dbraw/zinc/59/65/13/1387596513.db2.gz KLPQGKUZOPDVCM-SFHVURJKSA-N 2 0 337.552 3.269 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001325919286 1388082677 /nfs/dbraw/zinc/08/26/77/1388082677.db2.gz HSFKJACNKZDWSG-XUVXKRRUSA-N 2 0 347.547 3.282 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001267582432 1377461337 /nfs/dbraw/zinc/46/13/37/1377461337.db2.gz ISFYYPUBSBNGEG-MRXNPFEDSA-N 2 0 349.544 3.170 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001268045127 1377483615 /nfs/dbraw/zinc/48/36/15/1377483615.db2.gz RPWMNUGOPVZPDF-OALUTQOASA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[NH2+]C1(CC)CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001327456111 1388524298 /nfs/dbraw/zinc/52/42/98/1388524298.db2.gz VNUBEPKHURWYRY-UHFFFAOYSA-N 2 0 349.544 3.360 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC001274434066 1378124712 /nfs/dbraw/zinc/12/47/12/1378124712.db2.gz ASIKDQRNKADDOZ-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001282648663 1378523272 /nfs/dbraw/zinc/52/32/72/1378523272.db2.gz ZBIYIWKLIFVMBT-AZUAARDMSA-N 2 0 347.547 3.071 10 30 EGEERP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001282648667 1378523541 /nfs/dbraw/zinc/52/35/41/1378523541.db2.gz ZBIYIWKLIFVMBT-UYAOXDASSA-N 2 0 347.547 3.071 10 30 EGEERP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001282648664 1378523583 /nfs/dbraw/zinc/52/35/83/1378523583.db2.gz ZBIYIWKLIFVMBT-ICSRJNTNSA-N 2 0 347.547 3.071 10 30 EGEERP C=C(C)CC[N@@H+](C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001284536323 1379942992 /nfs/dbraw/zinc/94/29/92/1379942992.db2.gz HYMOWQKKHHBSHN-MOPGFXCFSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCCCCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001328754033 1388845905 /nfs/dbraw/zinc/84/59/05/1388845905.db2.gz YUJLWDHXGNJFFH-UFYCRDLUSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317036516 1384807684 /nfs/dbraw/zinc/80/76/84/1384807684.db2.gz GBSGRYHNEXVEHR-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001317106029 1384870672 /nfs/dbraw/zinc/87/06/72/1384870672.db2.gz QCOVSRDAIDPKJK-RBUKOAKNSA-N 2 0 337.552 3.221 10 30 EGEERP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001317213595 1384993925 /nfs/dbraw/zinc/99/39/25/1384993925.db2.gz GIDVRSZIHLWRLK-UEDWAMCQSA-N 2 0 349.563 3.124 10 30 EGEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001317880627 1385559418 /nfs/dbraw/zinc/55/94/18/1385559418.db2.gz ZFMBUGLIXDQMNO-UXHICEINSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001319651951 1386234296 /nfs/dbraw/zinc/23/42/96/1386234296.db2.gz SGPPBQHNFVKXIA-MOPGFXCFSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCCCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001329256629 1389037853 /nfs/dbraw/zinc/03/78/53/1389037853.db2.gz ISEJMXWNTKBJNM-LMDPOFIKSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001329256630 1389038213 /nfs/dbraw/zinc/03/82/13/1389038213.db2.gz ISEJMXWNTKBJNM-VIQWUECVSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001329893100 1389248708 /nfs/dbraw/zinc/24/87/08/1389248708.db2.gz LHYUWDAMODSJRJ-VQIMIIECSA-N 2 0 341.515 3.040 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001479612481 1392287259 /nfs/dbraw/zinc/28/72/59/1392287259.db2.gz JRCNYLSKDYFLNL-MISYRCLQSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001479896361 1392464647 /nfs/dbraw/zinc/46/46/47/1392464647.db2.gz PIANBRIIVVDHET-FQEVSTJZSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001480403534 1392741854 /nfs/dbraw/zinc/74/18/54/1392741854.db2.gz QIZJOELBDXMXMS-AFMYVXGZSA-N 2 0 347.547 3.377 10 30 EGEERP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001480828336 1392967415 /nfs/dbraw/zinc/96/74/15/1392967415.db2.gz OUXOSZRRDPHGAG-QUCCMNQESA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001490768151 1394330771 /nfs/dbraw/zinc/33/07/71/1394330771.db2.gz JKWMEJCXHJULHI-WOJBJXKFSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001491192155 1394466078 /nfs/dbraw/zinc/46/60/78/1394466078.db2.gz ZZXXOCSDEDRJTK-PMACEKPBSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001482423060 1394984695 /nfs/dbraw/zinc/98/46/95/1394984695.db2.gz IHWFTMFFMYWGPC-PKOBYXMFSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001482481711 1395035202 /nfs/dbraw/zinc/03/52/02/1395035202.db2.gz KHCWXCHTWMCFAA-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+]C1(CC)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001484814405 1395548476 /nfs/dbraw/zinc/54/84/76/1395548476.db2.gz OQMFGKMMNPHRTH-UHFFFAOYSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001485779647 1396150049 /nfs/dbraw/zinc/15/00/49/1396150049.db2.gz KTKJJFXKDKHAIC-HXUWFJFHSA-N 2 0 343.515 3.132 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001690046182 1404280239 /nfs/dbraw/zinc/28/02/39/1404280239.db2.gz ABGRZAXCQQFDNV-IBGZPJMESA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001690151975 1404351572 /nfs/dbraw/zinc/35/15/72/1404351572.db2.gz WWKQODHMMOWSCS-AZUAARDMSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001690475941 1404598212 /nfs/dbraw/zinc/59/82/12/1404598212.db2.gz JMTVOLSVNYHRIY-ZWKOTPCHSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001690826608 1404764526 /nfs/dbraw/zinc/76/45/26/1404764526.db2.gz KPJNHZVMDDHPDJ-UXHICEINSA-N 2 0 349.563 3.386 10 30 EGEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001691677891 1405411745 /nfs/dbraw/zinc/41/17/45/1405411745.db2.gz JGHRKACTLHSBBM-FXAWDEMLSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001692161580 1405813048 /nfs/dbraw/zinc/81/30/48/1405813048.db2.gz QTXPAZIOLBAXCO-QYZOEREBSA-N 2 0 335.536 3.185 10 30 EGEERP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001731998378 1428207535 /nfs/dbraw/zinc/20/75/35/1428207535.db2.gz BLOKCWZZKIPLFK-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001732182567 1428430293 /nfs/dbraw/zinc/43/02/93/1428430293.db2.gz PHUIEDYTOZTGQL-SFHVURJKSA-N 2 0 340.471 3.145 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001732277550 1428510970 /nfs/dbraw/zinc/51/09/70/1428510970.db2.gz CXIZAZPGFPSSNW-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001732313752 1428525738 /nfs/dbraw/zinc/52/57/38/1428525738.db2.gz XASOBLNHLVROKC-VJANTYMQSA-N 2 0 335.536 3.233 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001732493561 1428615709 /nfs/dbraw/zinc/61/57/09/1428615709.db2.gz ODVRVINLXJUEKC-FXAWDEMLSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001699687288 1413087275 /nfs/dbraw/zinc/08/72/75/1413087275.db2.gz BNHLJJIYCDJEJM-HXUWFJFHSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001699858558 1413291158 /nfs/dbraw/zinc/29/11/58/1413291158.db2.gz LKNFPXVOSQEIAF-AZUAARDMSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001699981180 1413426700 /nfs/dbraw/zinc/42/67/00/1413426700.db2.gz DMHDTNJLKRATCB-MUGJNUQGSA-N 2 0 349.563 3.195 10 30 EGEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001700183447 1413599165 /nfs/dbraw/zinc/59/91/65/1413599165.db2.gz DUNAOIJOIILIAA-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001700221773 1413669010 /nfs/dbraw/zinc/66/90/10/1413669010.db2.gz BWRIYCMFBDQTLY-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001700435079 1414001233 /nfs/dbraw/zinc/00/12/33/1414001233.db2.gz ZHHVQNCNKLLGPS-ACBHZAAOSA-N 2 0 335.536 3.185 10 30 EGEERP C=CC[NH+]1CCCCC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001700526033 1414186893 /nfs/dbraw/zinc/18/68/93/1414186893.db2.gz VPKAEMLMJNQYBA-SFHVURJKSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001700573284 1414244543 /nfs/dbraw/zinc/24/45/43/1414244543.db2.gz UGVMBJHCWOCLPC-IBGZPJMESA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001701011114 1414670562 /nfs/dbraw/zinc/67/05/62/1414670562.db2.gz AYVUWXHXAFJJMD-AZUAARDMSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)CCCC[NH+]2CCCC2)C1 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GDJCSXCNALFXNJ-FQEVSTJZSA-N 2 0 343.515 3.299 10 30 EGEERP C=C(C)CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001713561013 1418360300 /nfs/dbraw/zinc/36/03/00/1418360300.db2.gz BFLLLSNLSXNKDJ-FQEVSTJZSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCCCCC[NH+]1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001713783943 1418600452 /nfs/dbraw/zinc/60/04/52/1418600452.db2.gz BXCZJZXBTMSSRG-UHFFFAOYSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001714118475 1418923236 /nfs/dbraw/zinc/92/32/36/1418923236.db2.gz SHCNPKVJWPUVHR-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001714439439 1419170967 /nfs/dbraw/zinc/17/09/67/1419170967.db2.gz RJOIBOCWAVDZCR-SLFFLAALSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001715031924 1419764471 /nfs/dbraw/zinc/76/44/71/1419764471.db2.gz VFNMAYCUBYFPBM-RBUKOAKNSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001715191292 1419923181 /nfs/dbraw/zinc/92/31/81/1419923181.db2.gz XJTPOAMRGHRJEQ-BHIYHBOVSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001716516072 1420745664 /nfs/dbraw/zinc/74/56/64/1420745664.db2.gz MWRWJTPUWIUPHM-ICSRJNTNSA-N 2 0 349.563 3.482 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001716519086 1420748264 /nfs/dbraw/zinc/74/82/64/1420748264.db2.gz BDKHWDCIXHJDDQ-RTBURBONSA-N 2 0 335.536 3.093 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716777393 1420917560 /nfs/dbraw/zinc/91/75/60/1420917560.db2.gz JUDTWVOBLHWXRO-ICSRJNTNSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001716888316 1421011888 /nfs/dbraw/zinc/01/18/88/1421011888.db2.gz UGOFPMOPAOUBHV-SFHVURJKSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001733287696 1429463814 /nfs/dbraw/zinc/46/38/14/1429463814.db2.gz RJGQLMWMJRQRMS-PZJWPPBQSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001717334714 1421271347 /nfs/dbraw/zinc/27/13/47/1421271347.db2.gz YJUDWWAIWVAJOM-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001717536972 1421475070 /nfs/dbraw/zinc/47/50/70/1421475070.db2.gz UPMZOKNNURJMDL-GBESFXJTSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001733764232 1429983992 /nfs/dbraw/zinc/98/39/92/1429983992.db2.gz FUFWPOLERLMPBY-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001733453866 1429668277 /nfs/dbraw/zinc/66/82/77/1429668277.db2.gz XTPBMKACFHAREU-LJQANCHMSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001723698792 1424535787 /nfs/dbraw/zinc/53/57/87/1424535787.db2.gz UAEOYBSKOVUZNY-UHFFFAOYSA-N 2 0 347.547 3.142 10 30 EGEERP CCCCCCC[NH+]1CCC(C)(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001724303056 1424787330 /nfs/dbraw/zinc/78/73/30/1424787330.db2.gz RXBSKQNBVSLFOG-UHFFFAOYSA-N 2 0 349.563 3.271 10 30 EGEERP 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 1424935397 /nfs/dbraw/zinc/93/53/97/1424935397.db2.gz WGRADVFKPHILNH-LTFPLMDUSA-N 2 0 347.547 3.185 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001724779489 1425143646 /nfs/dbraw/zinc/14/36/46/1425143646.db2.gz YHNFRRTVBGKQOO-PKOBYXMFSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@H]1C ZINC001724995203 1425401790 /nfs/dbraw/zinc/40/17/90/1425401790.db2.gz OKUDQRUGEGBPNB-SJORKVTESA-N 2 0 335.536 3.185 10 30 EGEERP C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001725028279 1425449225 /nfs/dbraw/zinc/44/92/25/1425449225.db2.gz XWAAPBLMWAYSNG-UYAOXDASSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001725228022 1425797475 /nfs/dbraw/zinc/79/74/75/1425797475.db2.gz DVRABFCGLSMRHL-ROUUACIJSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001725241487 1425846683 /nfs/dbraw/zinc/84/66/83/1425846683.db2.gz PEFBGAZAXSFEJZ-UXHICEINSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001725344101 1425993868 /nfs/dbraw/zinc/99/38/68/1425993868.db2.gz NGYZLGKHIVPNLM-UHFFFAOYSA-N 2 0 347.547 3.143 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001725830522 1426509074 /nfs/dbraw/zinc/50/90/74/1426509074.db2.gz SAOLJXKGYICHII-QUCCMNQESA-N 2 0 347.547 3.210 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001731517592 1427505788 /nfs/dbraw/zinc/50/57/88/1427505788.db2.gz DBEZMSKUSBHRJA-AZUAARDMSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001731716849 1427781445 /nfs/dbraw/zinc/78/14/45/1427781445.db2.gz ZVDJNPZQHRFRCT-RBUKOAKNSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001734103585 1437888450 /nfs/dbraw/zinc/88/84/50/1437888450.db2.gz KIIJNWJVACUKTB-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001734151281 1437919357 /nfs/dbraw/zinc/91/93/57/1437919357.db2.gz ZOVPDOMUGGMKOU-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248648793 308008622 /nfs/dbraw/zinc/00/86/22/308008622.db2.gz KEOBYEWCVZKTEA-XLIONFOSSA-N 2 0 334.467 3.468 10 30 EGEERP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600717935 460577829 /nfs/dbraw/zinc/57/78/29/460577829.db2.gz UJDVCISZPRQXMK-XLIONFOSSA-N 2 0 341.499 3.063 10 30 EGEERP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000245800414 455381015 /nfs/dbraw/zinc/38/10/15/455381015.db2.gz XSSZJJQWCBLPET-OAQYLSRUSA-N 2 0 340.515 3.487 10 30 EGEERP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594928955 459180196 /nfs/dbraw/zinc/18/01/96/459180196.db2.gz XOGDEOPDWJBIBV-UHFFFAOYSA-N 2 0 349.478 3.472 10 30 EGEERP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000595895507 459480009 /nfs/dbraw/zinc/48/00/09/459480009.db2.gz OGZIULRVCYABTP-LSDHHAIUSA-N 2 0 337.389 3.399 10 30 EGEERP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000563218444 459742178 /nfs/dbraw/zinc/74/21/78/459742178.db2.gz XUSFBAUMBXXLOT-UHFFFAOYSA-N 2 0 330.432 3.020 10 30 EGEERP C=C(C)COc1cc(C[NH2+]CCN2CC=C(C)CC2)ccc1OC ZINC000545856358 459861298 /nfs/dbraw/zinc/86/12/98/459861298.db2.gz RGXQVRCSEDRJCF-UHFFFAOYSA-N 2 0 330.472 3.392 10 30 EGEERP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594440562 460221886 /nfs/dbraw/zinc/22/18/86/460221886.db2.gz FISHUOJKFKAEFD-IBGZPJMESA-N 2 0 342.487 3.268 10 30 EGEERP C=CC[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCC[NH2+]1 ZINC000662690681 461346781 /nfs/dbraw/zinc/34/67/81/461346781.db2.gz AFWRNVOXMOTRRA-NRFANRHFSA-N 2 0 341.499 3.352 10 30 EGEERP C=CC[C@]1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCC[NH2+]1 ZINC000662690682 461346859 /nfs/dbraw/zinc/34/68/59/461346859.db2.gz AFWRNVOXMOTRRA-OAQYLSRUSA-N 2 0 341.499 3.352 10 30 EGEERP C=CC[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000651831887 462351874 /nfs/dbraw/zinc/35/18/74/462351874.db2.gz MTXGUQSJEWWSPY-QUCCMNQESA-N 2 0 328.500 3.348 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000876737713 1298950050 /nfs/dbraw/zinc/95/00/50/1298950050.db2.gz WEBHHCUDYIVTQU-SZMVWBNQSA-N 2 0 349.906 3.140 10 30 EGEERP C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2F)(c2ccccc2)CC1 ZINC000865774051 1329737020 /nfs/dbraw/zinc/73/70/20/1329737020.db2.gz NYOQFSLCTAPTIG-UHFFFAOYSA-N 2 0 337.442 3.451 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1CC ZINC001323147571 1387302447 /nfs/dbraw/zinc/30/24/47/1387302447.db2.gz GPZKYSLODCWSRU-VQIMIIECSA-N 2 0 340.471 3.049 10 30 EGEERP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)C1 ZINC001323636043 1387413375 /nfs/dbraw/zinc/41/33/75/1387413375.db2.gz BHZJNUXLXLTSDM-IBGZPJMESA-N 2 0 349.563 3.101 10 30 EGEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001323670195 1387421246 /nfs/dbraw/zinc/42/12/46/1387421246.db2.gz OWIOVBHZESBKCU-IHWFROFDSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001323736904 1387438938 /nfs/dbraw/zinc/43/89/38/1387438938.db2.gz XVSLKABHSMDACZ-HXUWFJFHSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001323832999 1387468930 /nfs/dbraw/zinc/46/89/30/1387468930.db2.gz UJFRPOBIEALEJM-RBUKOAKNSA-N 2 0 349.563 3.242 10 30 EGEERP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001323860414 1387480733 /nfs/dbraw/zinc/48/07/33/1387480733.db2.gz RHWUKOMFTGLTGK-OAQYLSRUSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001324162949 1387549708 /nfs/dbraw/zinc/54/97/08/1387549708.db2.gz NLYZUFAKOCRQOJ-MSOLQXFVSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001324162952 1387549819 /nfs/dbraw/zinc/54/98/19/1387549819.db2.gz NLYZUFAKOCRQOJ-ROUUACIJSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001325599620 1388009683 /nfs/dbraw/zinc/00/96/83/1388009683.db2.gz VFGGOMQEFJXWFL-FXAWDEMLSA-N 2 0 343.515 3.012 10 30 EGEERP CCOCCC[N@@H+]1CC[C@@H](NCc2cc(Cl)cc(C#N)c2)[C@@H](C)C1 ZINC001119742324 1371397547 /nfs/dbraw/zinc/39/75/47/1371397547.db2.gz ILOIVLRZTBRDLM-HNAYVOBHSA-N 2 0 349.906 3.438 10 30 EGEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001326488907 1388213139 /nfs/dbraw/zinc/21/31/39/1388213139.db2.gz CEJLWBYFHPANIB-APWZRJJASA-N 2 0 331.504 3.116 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001327143680 1388401585 /nfs/dbraw/zinc/40/15/85/1388401585.db2.gz VMGYEZIBWHLYAA-QZTJIDSGSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001265447937 1377153037 /nfs/dbraw/zinc/15/30/37/1377153037.db2.gz DNXNYWIASJVEKP-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP CCCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001266116235 1377194083 /nfs/dbraw/zinc/19/40/83/1377194083.db2.gz HWEUIJQDTKISBB-CTNGQTDRSA-N 2 0 349.563 3.366 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001268217097 1377496461 /nfs/dbraw/zinc/49/64/61/1377496461.db2.gz ZFMIIBHXZRMKJP-SFHVURJKSA-N 2 0 337.552 3.412 10 30 EGEERP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001275724728 1378153428 /nfs/dbraw/zinc/15/34/28/1378153428.db2.gz ANNKOFCUTYJKDD-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C(C)C 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DMOKYPVQOSDBTQ-NCXUSEDFSA-N 2 0 335.536 3.211 10 30 EGEERP C=CCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001317209936 1384988744 /nfs/dbraw/zinc/98/87/44/1384988744.db2.gz VONSYADEQGNREK-RBUKOAKNSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001317677768 1385385211 /nfs/dbraw/zinc/38/52/11/1385385211.db2.gz UQYUWNPOYHAOJF-OAHLLOKOSA-N 2 0 340.471 3.049 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001318978643 1385906162 /nfs/dbraw/zinc/90/61/62/1385906162.db2.gz GLGDIHJDZVWFBH-ZJOUEHCJSA-N 2 0 347.547 3.236 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001319662197 1386241764 /nfs/dbraw/zinc/24/17/64/1386241764.db2.gz HBUWBCPCCSJQFG-IEBWSBKVSA-N 2 0 347.547 3.092 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001319820561 1386316994 /nfs/dbraw/zinc/31/69/94/1386316994.db2.gz OUQSILNEGPAXCK-ZWKOTPCHSA-N 2 0 337.552 3.147 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001698714575 1406357207 /nfs/dbraw/zinc/35/72/07/1406357207.db2.gz IPGBFOPYPDQGIR-FHWLQOOXSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001332118797 1389995744 /nfs/dbraw/zinc/99/57/44/1389995744.db2.gz QMOUUUPFHHLLOF-PZJWPPBQSA-N 2 0 347.547 3.332 10 30 EGEERP C=CCCCCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001333164946 1390258638 /nfs/dbraw/zinc/25/86/38/1390258638.db2.gz BWPSZMFKTKUISR-IBGZPJMESA-N 2 0 347.547 3.188 10 30 EGEERP C=CCc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc(OC)c1O ZINC001333840555 1390420073 /nfs/dbraw/zinc/42/00/73/1390420073.db2.gz HJQAPPSFZVVDCN-IPMKNSEASA-N 2 0 344.499 3.291 10 30 EGEERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC001341119250 1390443390 /nfs/dbraw/zinc/44/33/90/1390443390.db2.gz HKMVJPZLRVGVQW-GHTZIAJQSA-N 2 0 343.515 3.402 10 30 EGEERP C=CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001480257678 1392641986 /nfs/dbraw/zinc/64/19/86/1392641986.db2.gz UDRWDXJAONRSPD-IBGZPJMESA-N 2 0 347.547 3.189 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480272708 1392656025 /nfs/dbraw/zinc/65/60/25/1392656025.db2.gz YJUGDICZZDRDRS-PMACEKPBSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480363833 1392707933 /nfs/dbraw/zinc/70/79/33/1392707933.db2.gz ZWYOCJCIWPJTRD-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001698919102 1406653773 /nfs/dbraw/zinc/65/37/73/1406653773.db2.gz WEXNOEIFZZELNK-HKUYNNGSSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001481360362 1394200127 /nfs/dbraw/zinc/20/01/27/1394200127.db2.gz RBEPOBXNONMKLC-UXHICEINSA-N 2 0 343.515 3.085 10 30 EGEERP C=C(C)CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001490980505 1394391318 /nfs/dbraw/zinc/39/13/18/1394391318.db2.gz DVRQCMZQEPSMOO-MOPGFXCFSA-N 2 0 349.563 3.243 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481770383 1394513876 /nfs/dbraw/zinc/51/38/76/1394513876.db2.gz DGLMCDAQYRYBSJ-OALUTQOASA-N 2 0 337.552 3.364 10 30 EGEERP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001481986162 1394648137 /nfs/dbraw/zinc/64/81/37/1394648137.db2.gz JVHQMPSHRGBSHL-VQTJNVASSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483944623 1395155988 /nfs/dbraw/zinc/15/59/88/1395155988.db2.gz YUHMJLGFJGVPMY-PMACEKPBSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001484118786 1395261747 /nfs/dbraw/zinc/26/17/47/1395261747.db2.gz HIGYJDARNDSSRC-NQIIRXRSSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001484132073 1395270863 /nfs/dbraw/zinc/27/08/63/1395270863.db2.gz KDLZYFWAIGZMPU-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001484561619 1395447571 /nfs/dbraw/zinc/44/75/71/1395447571.db2.gz OQRFKNDLRLEALQ-ZWOKBUDYSA-N 2 0 343.515 3.260 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001484618718 1395452752 /nfs/dbraw/zinc/45/27/52/1395452752.db2.gz SMNDQHIVTMITOR-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001485767328 1396144554 /nfs/dbraw/zinc/14/45/54/1396144554.db2.gz XRFYODLSCSXCKP-HXUWFJFHSA-N 2 0 343.515 3.178 10 30 EGEERP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001495598543 1396546360 /nfs/dbraw/zinc/54/63/60/1396546360.db2.gz IWHFZYSIKOBPRT-IBGZPJMESA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCCC1 ZINC001495963833 1396580398 /nfs/dbraw/zinc/58/03/98/1396580398.db2.gz SGQCYSIQNUPILV-ROUUACIJSA-N 2 0 335.536 3.234 10 30 EGEERP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001690128776 1404322775 /nfs/dbraw/zinc/32/27/75/1404322775.db2.gz TUXNOFPSPYTPRR-OALUTQOASA-N 2 0 349.563 3.269 10 30 EGEERP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001690459937 1404590930 /nfs/dbraw/zinc/59/09/30/1404590930.db2.gz WAYBRDXENUKOOJ-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001690473523 1404596990 /nfs/dbraw/zinc/59/69/90/1404596990.db2.gz XOSMDSHOGLFHIG-OALUTQOASA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690777131 1404725572 /nfs/dbraw/zinc/72/55/72/1404725572.db2.gz HUQFLHVKYCRHKW-QZTJIDSGSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001691382082 1405221090 /nfs/dbraw/zinc/22/10/90/1405221090.db2.gz GZEQARWYWLVYEW-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001691812232 1405524937 /nfs/dbraw/zinc/52/49/37/1405524937.db2.gz TXPABWXQAOEZFX-CEXWTWQISA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001691860270 1405578430 /nfs/dbraw/zinc/57/84/30/1405578430.db2.gz SBBUKFPDLDHDSA-XLIONFOSSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001691884245 1405608004 /nfs/dbraw/zinc/60/80/04/1405608004.db2.gz HIIYXHZCROLLCA-AQNXPRMDSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691910029 1405634738 /nfs/dbraw/zinc/63/47/38/1405634738.db2.gz FJMIXAHUWMYLPP-NLWGTHIKSA-N 2 0 347.547 3.234 10 30 EGEERP 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 1405649410 /nfs/dbraw/zinc/64/94/10/1405649410.db2.gz USYLCMQMPBNUDO-RLLQIKCJSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001692276306 1405909610 /nfs/dbraw/zinc/90/96/10/1405909610.db2.gz YJTKNUXYIBQKQU-MSOLQXFVSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001732289452 1428516051 /nfs/dbraw/zinc/51/60/51/1428516051.db2.gz WDBBJQOCMHFJAE-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001732402058 1428567108 /nfs/dbraw/zinc/56/71/08/1428567108.db2.gz CGMXLUULVPCDQD-LJQANCHMSA-N 2 0 349.563 3.366 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCCC1 ZINC001732471683 1428599924 /nfs/dbraw/zinc/59/99/24/1428599924.db2.gz BBWGYHSIZQXBIS-XUVXKRRUSA-N 2 0 349.563 3.338 10 30 EGEERP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001732511550 1428631057 /nfs/dbraw/zinc/63/10/57/1428631057.db2.gz RNTSDOUIIHTCRX-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001732524504 1428643933 /nfs/dbraw/zinc/64/39/33/1428643933.db2.gz MXUFGBRHOPDSFW-RTBURBONSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001699625229 1412991845 /nfs/dbraw/zinc/99/18/45/1412991845.db2.gz AYFWUIQTQGKLJW-QGZVFWFLSA-N 2 0 340.471 3.193 10 30 EGEERP C=CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CCCCCC1 ZINC001699684146 1413080491 /nfs/dbraw/zinc/08/04/91/1413080491.db2.gz WEUQTOLHQFBLMB-UHFFFAOYSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001699861596 1413296489 /nfs/dbraw/zinc/29/64/89/1413296489.db2.gz LZWUHGHWVGMATO-MOPGFXCFSA-N 2 0 347.547 3.188 10 30 EGEERP C=CC[NH+]1CCC2(CCN(C(=O)CCCC[NH+]3CCCC3)CC2)CC1 ZINC001700333283 1413813738 /nfs/dbraw/zinc/81/37/38/1413813738.db2.gz OPWNAMNORBSFBX-UHFFFAOYSA-N 2 0 347.547 3.143 10 30 EGEERP C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001700340791 1413821751 /nfs/dbraw/zinc/82/17/51/1413821751.db2.gz BUKCWFPRAWNNDJ-OALUTQOASA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001701062665 1414720466 /nfs/dbraw/zinc/72/04/66/1414720466.db2.gz KFSZMADPZSYDGW-FQEVSTJZSA-N 2 0 347.547 3.211 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001707185799 1417235150 /nfs/dbraw/zinc/23/51/50/1417235150.db2.gz LIWLFVGVHBRBTC-MISYRCLQSA-N 2 0 347.547 3.042 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1CC ZINC001707197919 1417240965 /nfs/dbraw/zinc/24/09/65/1417240965.db2.gz PPIDUOBRYZUJHW-RBUKOAKNSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713199362 1417770421 /nfs/dbraw/zinc/77/04/21/1417770421.db2.gz ANNRNHDNZMNRKZ-XSYGEPLQSA-N 2 0 347.547 3.375 10 30 EGEERP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713258016 1417862532 /nfs/dbraw/zinc/86/25/32/1417862532.db2.gz OMSZMBSOICYILV-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP CCCCCCC[NH2+]C1CCC(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001713293494 1417921090 /nfs/dbraw/zinc/92/10/90/1417921090.db2.gz ZBLWNRHRZFBEOQ-GRERDSQWSA-N 2 0 349.563 3.460 10 30 EGEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001713681217 1418432946 /nfs/dbraw/zinc/43/29/46/1418432946.db2.gz CKIMTAJDLXRQCN-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713720224 1418491223 /nfs/dbraw/zinc/49/12/23/1418491223.db2.gz QTIHQJPYAFTNFF-RBUKOAKNSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713750994 1418551905 /nfs/dbraw/zinc/55/19/05/1418551905.db2.gz KZABXJWMHFIECW-GOSISDBHSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001714142117 1418944323 /nfs/dbraw/zinc/94/43/23/1418944323.db2.gz MOUDDKVKGWJXTG-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001714813825 1419524730 /nfs/dbraw/zinc/52/47/30/1419524730.db2.gz IENRWAOZVRJWJP-YLJYHZDGSA-N 2 0 343.515 3.082 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCCC1 ZINC001715107845 1419849962 /nfs/dbraw/zinc/84/99/62/1419849962.db2.gz ZCWRDBNRCFOBFM-QGZVFWFLSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001715204584 1419938609 /nfs/dbraw/zinc/93/86/09/1419938609.db2.gz RCZHGNYZKBCZTM-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001715392115 1420089486 /nfs/dbraw/zinc/08/94/86/1420089486.db2.gz QFQGTWJKHQUJMX-KXBFYZLASA-N 2 0 340.471 3.049 10 30 EGEERP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001715434846 1420121584 /nfs/dbraw/zinc/12/15/84/1420121584.db2.gz GDMYYIFSWQGONY-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001715443037 1420127940 /nfs/dbraw/zinc/12/79/40/1420127940.db2.gz GQWWEURFUFBERE-WOJBJXKFSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001715473014 1420152018 /nfs/dbraw/zinc/15/20/18/1420152018.db2.gz KRYZPXKWOPQAEZ-QZTJIDSGSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001715482018 1420161088 /nfs/dbraw/zinc/16/10/88/1420161088.db2.gz WHCHUQVGWRZVRR-UYAOXDASSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001716063190 1420522935 /nfs/dbraw/zinc/52/29/35/1420522935.db2.gz KDIFKCKKQOIECS-QFBILLFUSA-N 2 0 340.471 3.097 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CC ZINC001716636119 1420793933 /nfs/dbraw/zinc/79/39/33/1420793933.db2.gz HLGBTVIAPGOGDY-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001716712366 1420864965 /nfs/dbraw/zinc/86/49/65/1420864965.db2.gz IJTWUUKBHBWSTE-UXHICEINSA-N 2 0 347.547 3.284 10 30 EGEERP C=CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CCCCCC1 ZINC001733278504 1429446761 /nfs/dbraw/zinc/44/67/61/1429446761.db2.gz RHPDCAICKSMDSX-PMACEKPBSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001716786293 1420921675 /nfs/dbraw/zinc/92/16/75/1420921675.db2.gz KGUZVXNWHXQLQP-XLIONFOSSA-N 2 0 343.515 3.297 10 30 EGEERP C=C(C)C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCCC1 ZINC001733278734 1429447835 /nfs/dbraw/zinc/44/78/35/1429447835.db2.gz WQXROSYCWLWUCM-LJQANCHMSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001717115257 1421119279 /nfs/dbraw/zinc/11/92/79/1421119279.db2.gz KHLVDWYPNXNKDE-QFBILLFUSA-N 2 0 329.488 3.014 10 30 EGEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC001717309055 1421251463 /nfs/dbraw/zinc/25/14/63/1421251463.db2.gz DNWQXDGCURFNKO-OALUTQOASA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001717377511 1421320317 /nfs/dbraw/zinc/32/03/17/1421320317.db2.gz LHVULPHJBOOVMC-HXUWFJFHSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCC[C@H](C)[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001717950923 1421720262 /nfs/dbraw/zinc/72/02/62/1421720262.db2.gz ZIANOVJCBKVDEE-FHWLQOOXSA-N 2 0 337.552 3.240 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C(C)(C)C ZINC001717964815 1421736464 /nfs/dbraw/zinc/73/64/64/1421736464.db2.gz DZLAKXWAUWUGGH-ZWKOTPCHSA-N 2 0 337.552 3.195 10 30 EGEERP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001723061510 1424295046 /nfs/dbraw/zinc/29/50/46/1424295046.db2.gz XZEFNAZWSYEQSQ-HNNXBMFYSA-N 2 0 328.460 3.049 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001723691802 1424532000 /nfs/dbraw/zinc/53/20/00/1424532000.db2.gz RXFOHOGVUSQINK-FPOVZHCZSA-N 2 0 349.563 3.223 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001723720300 1424546518 /nfs/dbraw/zinc/54/65/18/1424546518.db2.gz YKUUHFANZVBZQO-FQEVSTJZSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC001723855798 1424585657 /nfs/dbraw/zinc/58/56/57/1424585657.db2.gz IFYZNISDLCKHQJ-RDJZCZTQSA-N 2 0 340.471 3.192 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC001723872899 1424593384 /nfs/dbraw/zinc/59/33/84/1424593384.db2.gz GVPHPUTWEDFEHR-FXAWDEMLSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001724021396 1424631123 /nfs/dbraw/zinc/63/11/23/1424631123.db2.gz AVQDIMPINQRGSN-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP 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 1424935687 /nfs/dbraw/zinc/93/56/87/1424935687.db2.gz WGRADVFKPHILNH-KJFMYELZSA-N 2 0 347.547 3.185 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001724754993 1425125475 /nfs/dbraw/zinc/12/54/75/1425125475.db2.gz VANWLZPSXRJRSA-MUGJNUQGSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001724848139 1425204114 /nfs/dbraw/zinc/20/41/14/1425204114.db2.gz ZLVHDCJLIIARCF-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001724852943 1425218443 /nfs/dbraw/zinc/21/84/43/1425218443.db2.gz AWPZDNZIPYLFDJ-LJQANCHMSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001724853255 1425218979 /nfs/dbraw/zinc/21/89/79/1425218979.db2.gz SHEHFXPWNBLBTA-UHFFFAOYSA-N 2 0 328.460 3.003 10 30 EGEERP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001724890052 1425275586 /nfs/dbraw/zinc/27/55/86/1425275586.db2.gz KETMUYCQWRNJLP-UHFFFAOYSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+]C1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001725129636 1425598075 /nfs/dbraw/zinc/59/80/75/1425598075.db2.gz BSMWYZZIOHGKBK-UHFFFAOYSA-N 2 0 340.471 3.192 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC001725796006 1426481699 /nfs/dbraw/zinc/48/16/99/1426481699.db2.gz GLWNQDNWSSLOBX-KRWDZBQOSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001731419004 1427394011 /nfs/dbraw/zinc/39/40/11/1427394011.db2.gz NKZFSLSTRPFCBJ-LJQANCHMSA-N 2 0 343.515 3.108 10 30 EGEERP C=CCC[NH2+]C1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001731573252 1427616322 /nfs/dbraw/zinc/61/63/22/1427616322.db2.gz GYEZJLYXWPNFHH-ACBHZAAOSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001734208672 1437943960 /nfs/dbraw/zinc/94/39/60/1437943960.db2.gz GPIYLSRTZKNONE-JPLJXNOCSA-N 2 0 347.547 3.233 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001734442312 1438104637 /nfs/dbraw/zinc/10/46/37/1438104637.db2.gz PZCSEJCHLJEHJT-TZIWHRDSSA-N 2 0 349.563 3.412 10 30 EGEERP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000343577334 163986648 /nfs/dbraw/zinc/98/66/48/163986648.db2.gz ISIKPRPNUWICIE-UHFFFAOYSA-N 2 0 348.516 3.002 10 30 EGEERP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000459734428 267335908 /nfs/dbraw/zinc/33/59/08/267335908.db2.gz HCXCNFQEKMPDAK-ZDUSSCGKSA-N 2 0 325.378 3.399 10 30 EGEERP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000459734424 267338156 /nfs/dbraw/zinc/33/81/56/267338156.db2.gz HCXCNFQEKMPDAK-CYBMUJFWSA-N 2 0 325.378 3.399 10 30 EGEERP C#CCCOc1ccc(C[NH+]2CCC(Cc3nccn3C)CC2)cc1 ZINC000121787043 454475867 /nfs/dbraw/zinc/47/58/67/454475867.db2.gz CIZJFDMFUBORCM-UHFFFAOYSA-N 2 0 337.467 3.277 10 30 EGEERP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449548490 458426669 /nfs/dbraw/zinc/42/66/69/458426669.db2.gz NWFPUGFZTGOIRY-UIFIKXQLSA-N 2 0 328.500 3.405 10 30 EGEERP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000594514062 459072865 /nfs/dbraw/zinc/07/28/65/459072865.db2.gz OWHFKUSVCFAXDX-HDICACEKSA-N 2 0 343.515 3.467 10 30 EGEERP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3ccnc(C#N)c3)C2)s1 ZINC000593031384 459747002 /nfs/dbraw/zinc/74/70/02/459747002.db2.gz VFQVOIGSJAFRIS-KRWDZBQOSA-N 2 0 340.496 3.277 10 30 EGEERP CCC1(N2CCOCC2)CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000599084299 460156545 /nfs/dbraw/zinc/15/65/45/460156545.db2.gz RMAYTDPZYHJACM-KRWDZBQOSA-N 2 0 327.472 3.196 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000876719695 1298935470 /nfs/dbraw/zinc/93/54/70/1298935470.db2.gz SMTMVYVOFIZMJV-SUMWQHHRSA-N 2 0 335.879 3.327 10 30 EGEERP C=CCCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000880388172 1301100268 /nfs/dbraw/zinc/10/02/68/1301100268.db2.gz JAZPODPHDNAIKV-HXUWFJFHSA-N 2 0 343.515 3.274 10 30 EGEERP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1Cc2ccccc2O1 ZINC000883171666 1302282725 /nfs/dbraw/zinc/28/27/25/1302282725.db2.gz FDALPAONBOWTTQ-PBEJRMEISA-N 2 0 326.484 3.399 10 30 EGEERP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000921858287 1322413923 /nfs/dbraw/zinc/41/39/23/1322413923.db2.gz CXAYUKUIKIOZLS-RTWAWAEBSA-N 2 0 341.499 3.033 10 30 EGEERP CCCCCCC[NH+]1CCC(C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001324334385 1387596457 /nfs/dbraw/zinc/59/64/57/1387596457.db2.gz KLPQGKUZOPDVCM-GOSISDBHSA-N 2 0 337.552 3.269 10 30 EGEERP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001324740089 1387758598 /nfs/dbraw/zinc/75/85/98/1387758598.db2.gz FWZTWRSPKBTKJD-CTNGQTDRSA-N 2 0 347.547 3.188 10 30 EGEERP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001195877199 1368508989 /nfs/dbraw/zinc/50/89/89/1368508989.db2.gz TURPAPXKLZTKSE-NRFANRHFSA-N 2 0 346.434 3.218 10 30 EGEERP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001325633322 1388019462 /nfs/dbraw/zinc/01/94/62/1388019462.db2.gz XQFSMWXTTVGZLR-REPLKXPHSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001325694601 1388031816 /nfs/dbraw/zinc/03/18/16/1388031816.db2.gz YPCJJSPECHEURP-UHFFFAOYSA-N 2 0 343.515 3.055 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001325899323 1388071834 /nfs/dbraw/zinc/07/18/34/1388071834.db2.gz OZIISSSGYWHQID-MOPGFXCFSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001327149298 1388406383 /nfs/dbraw/zinc/40/63/83/1388406383.db2.gz XXGIQIYDVODSTO-QZTJIDSGSA-N 2 0 337.552 3.290 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001267180120 1377426075 /nfs/dbraw/zinc/42/60/75/1377426075.db2.gz WZXKMWGUBLSOJP-FQEVSTJZSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001327479065 1388530700 /nfs/dbraw/zinc/53/07/00/1388530700.db2.gz NGKZYBSGOCJUKH-SFHVURJKSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001275724725 1378153483 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OIXZYFRYJAVCHS-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001316919456 1384690000 /nfs/dbraw/zinc/69/00/00/1384690000.db2.gz FVZQNMBZEVVXGP-FQEVSTJZSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317044543 1384818301 /nfs/dbraw/zinc/81/83/01/1384818301.db2.gz MHRCGNFXTWLSHE-FQEVSTJZSA-N 2 0 349.563 3.389 10 30 EGEERP C=CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001319820671 1386316730 /nfs/dbraw/zinc/31/67/30/1386316730.db2.gz YCLCGXZDKQMLPV-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001698704693 1406346365 /nfs/dbraw/zinc/34/63/65/1406346365.db2.gz XTZDCZFLBIJWPK-QUCCMNQESA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001698714818 1406357522 /nfs/dbraw/zinc/35/75/22/1406357522.db2.gz NFTDWGOLBZCQCY-MXVIHJGJSA-N 2 0 343.515 3.345 10 30 EGEERP C=CC[NH+]1CCC(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001698724024 1406372235 /nfs/dbraw/zinc/37/22/35/1406372235.db2.gz FBGQYXRUXMVPMO-UHFFFAOYSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC001332379737 1390100808 /nfs/dbraw/zinc/10/08/08/1390100808.db2.gz KZFYDCDTYILFBQ-ROUUACIJSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001479578230 1392279687 /nfs/dbraw/zinc/27/96/87/1392279687.db2.gz IUIHIJNWZPSWSK-GGPKGHCWSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001479637563 1392300288 /nfs/dbraw/zinc/30/02/88/1392300288.db2.gz VBNDCSOYKBLMON-XUVXKRRUSA-N 2 0 347.547 3.329 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001479674530 1392313834 /nfs/dbraw/zinc/31/38/34/1392313834.db2.gz GUEKCLFTURGWOU-MOPGFXCFSA-N 2 0 337.552 3.077 10 30 EGEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001479688927 1392320606 /nfs/dbraw/zinc/32/06/06/1392320606.db2.gz NHGUINCNMBWPSE-LJQANCHMSA-N 2 0 347.547 3.025 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001479747308 1392364762 /nfs/dbraw/zinc/36/47/62/1392364762.db2.gz XBDQAUWHRPYJKB-ROUUACIJSA-N 2 0 337.552 3.146 10 30 EGEERP C=C(C)C[NH+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001480384070 1392728858 /nfs/dbraw/zinc/72/88/58/1392728858.db2.gz USEHQAODGGJONR-ROUUACIJSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001480652221 1392837280 /nfs/dbraw/zinc/83/72/80/1392837280.db2.gz HLHMKBDQPLTJMR-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001490597180 1394278581 /nfs/dbraw/zinc/27/85/81/1394278581.db2.gz MYUVQEXJDBRQOJ-GOSISDBHSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481461398 1394317883 /nfs/dbraw/zinc/31/78/83/1394317883.db2.gz BXDGFBQWGRWDBR-WOJBJXKFSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001490792034 1394345974 /nfs/dbraw/zinc/34/59/74/1394345974.db2.gz PPORXGFVYJXCPL-ZCNNSNEGSA-N 2 0 347.547 3.282 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001491359074 1394511495 /nfs/dbraw/zinc/51/14/95/1394511495.db2.gz ILOPRMZSIHRRFO-UHFFFAOYSA-N 2 0 349.563 3.482 10 30 EGEERP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001482027928 1394686440 /nfs/dbraw/zinc/68/64/40/1394686440.db2.gz UXFPHEHMBWLRHQ-QAQDUYKDSA-N 2 0 341.927 3.022 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001482041913 1394703769 /nfs/dbraw/zinc/70/37/69/1394703769.db2.gz AZHATOSOHZDUTA-YSIASYRMSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001484161334 1395296386 /nfs/dbraw/zinc/29/63/86/1395296386.db2.gz VCYCBNMLDAQUAH-CTNGQTDRSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001484391665 1395362597 /nfs/dbraw/zinc/36/25/97/1395362597.db2.gz RIKPIEWGSDZCCM-HAGHYFMRSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001484466762 1395403781 /nfs/dbraw/zinc/40/37/81/1395403781.db2.gz WBCXIILBUIZLBJ-XUVXKRRUSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001484937967 1395596651 /nfs/dbraw/zinc/59/66/51/1395596651.db2.gz SVQCYGQLEWZTLD-KRWDZBQOSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001484981260 1395621325 /nfs/dbraw/zinc/62/13/25/1395621325.db2.gz NDSUJOUHMRGNAO-PMACEKPBSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCCC1 ZINC001485449287 1395916768 /nfs/dbraw/zinc/91/67/68/1395916768.db2.gz KFRUTIOLNKRGPL-OALUTQOASA-N 2 0 347.547 3.378 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001485573612 1396041127 /nfs/dbraw/zinc/04/11/27/1396041127.db2.gz CYAFANBUHZUKQO-SJORKVTESA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001485585386 1396061947 /nfs/dbraw/zinc/06/19/47/1396061947.db2.gz LWWNVOMZTMAKQH-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001485585383 1396062115 /nfs/dbraw/zinc/06/21/15/1396062115.db2.gz LWWNVOMZTMAKQH-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001485768005 1396145643 /nfs/dbraw/zinc/14/56/43/1396145643.db2.gz WOWJJHBLMMHEML-SFHVURJKSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001505398855 1396286446 /nfs/dbraw/zinc/28/64/46/1396286446.db2.gz XWAAPBLMWAYSNG-ICSRJNTNSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001494583573 1396476666 /nfs/dbraw/zinc/47/66/66/1396476666.db2.gz KHAMMZCEOFKPHT-XLIONFOSSA-N 2 0 347.547 3.186 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001494686620 1396488981 /nfs/dbraw/zinc/48/89/81/1396488981.db2.gz WZJKZFGZJVZWFZ-FHWLQOOXSA-N 2 0 335.536 3.116 10 30 EGEERP 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 1396946216 /nfs/dbraw/zinc/94/62/16/1396946216.db2.gz BVQOWIGNLYAMLA-RLLQIKCJSA-N 2 0 347.547 3.042 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001690504442 1404616860 /nfs/dbraw/zinc/61/68/60/1404616860.db2.gz DINOUAPUPSWBJK-RBUKOAKNSA-N 2 0 349.563 3.269 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001725641142 1426318979 /nfs/dbraw/zinc/31/89/79/1426318979.db2.gz XWFKWZNGSPCEMD-MSOLQXFVSA-N 2 0 337.552 3.410 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001691401638 1405238044 /nfs/dbraw/zinc/23/80/44/1405238044.db2.gz RKBDOAKRYZHGRJ-VAMGGRTRSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001691667585 1405401264 /nfs/dbraw/zinc/40/12/64/1405401264.db2.gz VLLZWKKCGUJFOU-HKUYNNGSSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001691818463 1405532683 /nfs/dbraw/zinc/53/26/83/1405532683.db2.gz CWVKVVFYKZUPAQ-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001691884246 1405608032 /nfs/dbraw/zinc/60/80/32/1405608032.db2.gz HIIYXHZCROLLCA-VAMGGRTRSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001691904970 1405628152 /nfs/dbraw/zinc/62/81/52/1405628152.db2.gz LSYUNSOLUUPJBB-UYAOXDASSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001732074720 1428325686 /nfs/dbraw/zinc/32/56/86/1428325686.db2.gz JVXZKVSRUFYUJA-QUCCMNQESA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001699680336 1413074898 /nfs/dbraw/zinc/07/48/98/1413074898.db2.gz MPSKOFOGDADMLT-QBUWPKIASA-N 2 0 335.536 3.183 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001699870074 1413316879 /nfs/dbraw/zinc/31/68/79/1413316879.db2.gz WVEWVHXDUCQZLY-TZIWHRDSSA-N 2 0 349.563 3.435 10 30 EGEERP 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 1413420613 /nfs/dbraw/zinc/42/06/13/1413420613.db2.gz FGJDRPVZNGRVKK-OKYOBFRVSA-N 2 0 347.547 3.042 10 30 EGEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001700091824 1413505830 /nfs/dbraw/zinc/50/58/30/1413505830.db2.gz PJWVMAGWLBYTOC-YLJYHZDGSA-N 2 0 343.515 3.041 10 30 EGEERP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001700221771 1413669081 /nfs/dbraw/zinc/66/90/81/1413669081.db2.gz BWRIYCMFBDQTLY-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001700567581 1414235293 /nfs/dbraw/zinc/23/52/93/1414235293.db2.gz KYPXGCMNFRPMKZ-QGZVFWFLSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001700666314 1414324656 /nfs/dbraw/zinc/32/46/56/1414324656.db2.gz OWFJFZYZNWUMQG-HNNXBMFYSA-N 2 0 328.460 3.097 10 30 EGEERP C=CCC[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001733043534 1429173843 /nfs/dbraw/zinc/17/38/43/1429173843.db2.gz PVACEZAHGARROG-GJZGRUSLSA-N 2 0 328.460 3.048 10 30 EGEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001713684329 1418436876 /nfs/dbraw/zinc/43/68/76/1418436876.db2.gz KSRMSXHXQUMQJR-QGZVFWFLSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001713758549 1418564236 /nfs/dbraw/zinc/56/42/36/1418564236.db2.gz RZWBSLHXRVGOSL-UYAOXDASSA-N 2 0 343.515 3.036 10 30 EGEERP CCCCCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001713778864 1418594325 /nfs/dbraw/zinc/59/43/25/1418594325.db2.gz DHSVDJNLGLTVTC-HXUWFJFHSA-N 2 0 349.563 3.221 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001713804829 1418618035 /nfs/dbraw/zinc/61/80/35/1418618035.db2.gz AMOQGHJKTKZMGD-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713957477 1418739364 /nfs/dbraw/zinc/73/93/64/1418739364.db2.gz ANNRNHDNZMNRKZ-MLYOOKFZSA-N 2 0 347.547 3.375 10 30 EGEERP C=C(C)CC[NH2+]C[C@]1(NC(=O)C[N@H+](C)C2CCC2)CCCC[C@H]1C ZINC001714182933 1418990587 /nfs/dbraw/zinc/99/05/87/1418990587.db2.gz CLFBXVBQPPTWNO-YLJYHZDGSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001714402976 1419145401 /nfs/dbraw/zinc/14/54/01/1419145401.db2.gz HKFFMSFHPWYWLA-RTBURBONSA-N 2 0 347.547 3.378 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001714410149 1419150004 /nfs/dbraw/zinc/15/00/04/1419150004.db2.gz CRWBIEGWJFQROE-MSOLQXFVSA-N 2 0 335.536 3.070 10 30 EGEERP C=CCCCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001714439438 1419171177 /nfs/dbraw/zinc/17/11/77/1419171177.db2.gz RJOIBOCWAVDZCR-HSALFYBXSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001714510179 1419237480 /nfs/dbraw/zinc/23/74/80/1419237480.db2.gz UGNOQHIFPUAXKV-ROUUACIJSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001714540065 1419265704 /nfs/dbraw/zinc/26/57/04/1419265704.db2.gz NEAGTJFEFREFLF-FQEVSTJZSA-N 2 0 343.515 3.299 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001714540066 1419266146 /nfs/dbraw/zinc/26/61/46/1419266146.db2.gz NEAGTJFEFREFLF-HXUWFJFHSA-N 2 0 343.515 3.299 10 30 EGEERP C=CCC[N@@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001714913318 1419661843 /nfs/dbraw/zinc/66/18/43/1419661843.db2.gz JCWHRRRTZVZQIU-UHFFFAOYSA-N 2 0 349.563 3.245 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001715045394 1419785712 /nfs/dbraw/zinc/78/57/12/1419785712.db2.gz OGLZYIBAMAHMIS-RTBURBONSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001715206728 1419940931 /nfs/dbraw/zinc/94/09/31/1419940931.db2.gz PKDRCNZDFICYJF-VQTJNVASSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001715409548 1420106077 /nfs/dbraw/zinc/10/60/77/1420106077.db2.gz GVXZPVLAJFIQDB-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001715468951 1420147914 /nfs/dbraw/zinc/14/79/14/1420147914.db2.gz DCJALRUDCIKION-UYAOXDASSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001733272524 1429435061 /nfs/dbraw/zinc/43/50/61/1429435061.db2.gz OSYQWNRHVXNTDC-AYHJJNSGSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001716877149 1421002669 /nfs/dbraw/zinc/00/26/69/1421002669.db2.gz XEJZXGBRAVAQKU-AZUAARDMSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H](c2ccccc2)N(C)C)CC1 ZINC001717304821 1421246373 /nfs/dbraw/zinc/24/63/73/1421246373.db2.gz TVSPJACYRGQLTB-LJQANCHMSA-N 2 0 343.515 3.226 10 30 EGEERP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001717313183 1421259048 /nfs/dbraw/zinc/25/90/48/1421259048.db2.gz MWSBWLVPYBASCC-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001717523162 1421458941 /nfs/dbraw/zinc/45/89/41/1421458941.db2.gz HGBNPTBQNHFHCX-SFHVURJKSA-N 2 0 335.536 3.234 10 30 EGEERP CCCCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001717540369 1421480436 /nfs/dbraw/zinc/48/04/36/1421480436.db2.gz OJTKGTHGKXBGTE-IBGZPJMESA-N 2 0 349.563 3.413 10 30 EGEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001717557431 1421493835 /nfs/dbraw/zinc/49/38/35/1421493835.db2.gz OBJUOKXQTMKMAR-FXAWDEMLSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001717560974 1421496991 /nfs/dbraw/zinc/49/69/91/1421496991.db2.gz YDMGTKMZXYVMTH-FXAWDEMLSA-N 2 0 343.515 3.082 10 30 EGEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717681481 1421563946 /nfs/dbraw/zinc/56/39/46/1421563946.db2.gz FXFSCDVGDPDNHT-HKUYNNGSSA-N 2 0 335.536 3.234 10 30 EGEERP C=CCC[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001717702288 1421576059 /nfs/dbraw/zinc/57/60/59/1421576059.db2.gz ORJBGEOUXXSXGT-UHFFFAOYSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001733384911 1429571863 /nfs/dbraw/zinc/57/18/63/1429571863.db2.gz DFXVKNNNCHBVND-HKUYNNGSSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001723937810 1424608092 /nfs/dbraw/zinc/60/80/92/1424608092.db2.gz OOJDVXXLVNASCK-VQTJNVASSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001724021401 1424630964 /nfs/dbraw/zinc/63/09/64/1424630964.db2.gz AVQDIMPINQRGSN-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP 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 1429765989 /nfs/dbraw/zinc/76/59/89/1429765989.db2.gz GAYHQNQOECGBOM-YHDCXSKOSA-N 2 0 347.547 3.042 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001724610576 1424950223 /nfs/dbraw/zinc/95/02/23/1424950223.db2.gz IQIQHSYZCLNYAY-WTGUMLROSA-N 2 0 347.547 3.092 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001724652266 1425013565 /nfs/dbraw/zinc/01/35/65/1425013565.db2.gz RKJQVZNMIPEHLT-RBUKOAKNSA-N 2 0 335.536 3.118 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001724657576 1425024605 /nfs/dbraw/zinc/02/46/05/1425024605.db2.gz ZPLWOZIHTINDEW-UAFMIMERSA-N 2 0 349.563 3.362 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001733569040 1429772363 /nfs/dbraw/zinc/77/23/63/1429772363.db2.gz ARCCKGAEDYZFBX-WTGUMLROSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001724891456 1425278878 /nfs/dbraw/zinc/27/88/78/1425278878.db2.gz RHJYYFGPBJQANZ-GOSISDBHSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001725048122 1425479001 /nfs/dbraw/zinc/47/90/01/1425479001.db2.gz OZSPFFVBKPEXFI-RBUKOAKNSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001731704579 1427757933 /nfs/dbraw/zinc/75/79/33/1427757933.db2.gz SUZGKWMBKWUWIX-UXHICEINSA-N 2 0 343.515 3.345 10 30 EGEERP C=CCCC[NH2+]C1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001733868562 1437695285 /nfs/dbraw/zinc/69/52/85/1437695285.db2.gz SYLYGMJAUSOTQW-UHFFFAOYSA-N 2 0 343.515 3.299 10 30 EGEERP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001734032798 1437820853 /nfs/dbraw/zinc/82/08/53/1437820853.db2.gz AXOHTHNSNQSDRV-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001734153635 1437920810 /nfs/dbraw/zinc/92/08/10/1437920810.db2.gz JEZACPJPFKDUSQ-RTBURBONSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[NH+]1CCC(N[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422974206 458429367 /nfs/dbraw/zinc/42/93/67/458429367.db2.gz DLQOBFXNDGIUQW-NHCUHLMSSA-N 2 0 343.515 3.118 10 30 EGEERP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000424292090 458606809 /nfs/dbraw/zinc/60/68/09/458606809.db2.gz GCHPPPFGJFSNNR-CUWPLCDZSA-N 2 0 328.500 3.263 10 30 EGEERP CN(C(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000252570764 1296461202 /nfs/dbraw/zinc/46/12/02/1296461202.db2.gz XCJFIBMJSUDHRY-RHSMWYFYSA-N 2 0 334.895 3.132 10 30 EGEERP C=CCOc1ccc(C[NH2+]C2(CCOC)CC[NH2+]CC2)cc1Cl ZINC000873225405 1297368318 /nfs/dbraw/zinc/36/83/18/1297368318.db2.gz XVIIIDUJTFTVIB-UHFFFAOYSA-N 2 0 338.879 3.153 10 30 EGEERP C=CCC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCO1 ZINC000883199869 1302300350 /nfs/dbraw/zinc/30/03/50/1302300350.db2.gz RWXXAVHRHZXTAR-PMACEKPBSA-N 2 0 329.488 3.401 10 30 EGEERP CC[C@@H](C#N)Oc1cc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)ccc1OC ZINC000858136864 1328692552 /nfs/dbraw/zinc/69/25/52/1328692552.db2.gz WPKDBCCVXCTOKS-IRXDYDNUSA-N 2 0 345.487 3.339 10 30 EGEERP CC[C@@H](C#N)Oc1cc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)ccc1OC ZINC000858136865 1328692849 /nfs/dbraw/zinc/69/28/49/1328692849.db2.gz WPKDBCCVXCTOKS-SJORKVTESA-N 2 0 345.487 3.339 10 30 EGEERP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000923428097 1322750427 /nfs/dbraw/zinc/75/04/27/1322750427.db2.gz WEJIGJHZDSLZDD-JRGCBEDISA-N 2 0 341.499 3.211 10 30 EGEERP C#CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1 ZINC000925887758 1325343909 /nfs/dbraw/zinc/34/39/09/1325343909.db2.gz LVIUZGDVRAQPHW-ZNLUXHQJSA-N 2 0 334.463 3.408 10 30 EGEERP C#CC[C@H](CCOC)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000862548288 1329495840 /nfs/dbraw/zinc/49/58/40/1329495840.db2.gz BWGRVBWAUGYMKR-AZUAARDMSA-N 2 0 328.500 3.100 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1CC ZINC001323150180 1387303127 /nfs/dbraw/zinc/30/31/27/1387303127.db2.gz QAVMECPTANROHD-IEBWSBKVSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001323638806 1387414350 /nfs/dbraw/zinc/41/43/50/1387414350.db2.gz VHKGRZGBSYMZHJ-QUCCMNQESA-N 2 0 349.563 3.243 10 30 EGEERP CCCCCCC[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001324339778 1387598364 /nfs/dbraw/zinc/59/83/64/1387598364.db2.gz NFADQOSBMJPDSL-GOSISDBHSA-N 2 0 337.552 3.269 10 30 EGEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001324505279 1387654431 /nfs/dbraw/zinc/65/44/31/1387654431.db2.gz IUGWNTCWFICOLQ-MOPGFXCFSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001266328222 1377275287 /nfs/dbraw/zinc/27/52/87/1377275287.db2.gz WUYFTIWHLKJXNC-KRWDZBQOSA-N 2 0 340.471 3.193 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266540838 1377330023 /nfs/dbraw/zinc/33/00/23/1377330023.db2.gz LOHTXZZPXGGAME-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001279630446 1378316958 /nfs/dbraw/zinc/31/69/58/1378316958.db2.gz ATZUSNINEYTDPJ-RBUKOAKNSA-N 2 0 337.552 3.220 10 30 EGEERP C=CC1(CC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)CCCCC1 ZINC001143145015 1378547473 /nfs/dbraw/zinc/54/74/73/1378547473.db2.gz DMCGASYHIRCOLL-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP CCCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001282965841 1378690858 /nfs/dbraw/zinc/69/08/58/1378690858.db2.gz BVLWKVSOBMXGNN-LJQANCHMSA-N 2 0 349.563 3.366 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001283906502 1379252876 /nfs/dbraw/zinc/25/28/76/1379252876.db2.gz PAFCALWUDMJDFD-MJGOQNOKSA-N 2 0 335.536 3.186 10 30 EGEERP CCCCCCC[NH2+]C1(C)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001328048669 1388653130 /nfs/dbraw/zinc/65/31/30/1388653130.db2.gz TYCBQOILYGRTIV-NRFANRHFSA-N 2 0 349.563 3.413 10 30 EGEERP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001167659898 1383702447 /nfs/dbraw/zinc/70/24/47/1383702447.db2.gz WQOIPKSBELIQIN-KRWDZBQOSA-N 2 0 326.488 3.430 10 30 EGEERP C#C[C@@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC001308787902 1384149626 /nfs/dbraw/zinc/14/96/26/1384149626.db2.gz YYRDXCYCAPDWMA-IOJLRTSASA-N 2 0 330.447 3.123 10 30 EGEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001316877389 1384661969 /nfs/dbraw/zinc/66/19/69/1384661969.db2.gz CVSSEMBWPRUXAP-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001317210368 1384989498 /nfs/dbraw/zinc/98/94/98/1384989498.db2.gz XPRPAJXERGHECD-OALUTQOASA-N 2 0 335.536 3.140 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001318403295 1385674794 /nfs/dbraw/zinc/67/47/94/1385674794.db2.gz QTSURDGKTGEJRW-RTBURBONSA-N 2 0 337.552 3.362 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001319141737 1385974813 /nfs/dbraw/zinc/97/48/13/1385974813.db2.gz HSUPETZOSUFILP-MOPGFXCFSA-N 2 0 349.563 3.242 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CCCCC1 ZINC001319651184 1386233564 /nfs/dbraw/zinc/23/35/64/1386233564.db2.gz LCGVVFOCAXSIIS-OALUTQOASA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC001319664725 1386243062 /nfs/dbraw/zinc/24/30/62/1386243062.db2.gz YIQXALNFPGWVHE-FQEVSTJZSA-N 2 0 349.563 3.338 10 30 EGEERP C=CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001319820672 1386316606 /nfs/dbraw/zinc/31/66/06/1386316606.db2.gz YCLCGXZDKQMLPV-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001698683330 1406330715 /nfs/dbraw/zinc/33/07/15/1406330715.db2.gz OCNXTRJSOUKNBL-PMACEKPBSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001698717389 1406361425 /nfs/dbraw/zinc/36/14/25/1406361425.db2.gz MGGDTVBMMLCOMT-VAMGGRTRSA-N 2 0 343.515 3.273 10 30 EGEERP C=CCCC[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001329847963 1389236218 /nfs/dbraw/zinc/23/62/18/1389236218.db2.gz GTPMIYIROFWMCY-UHFFFAOYSA-N 2 0 335.536 3.093 10 30 EGEERP C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001329887046 1389246642 /nfs/dbraw/zinc/24/66/42/1389246642.db2.gz JNWVUTDZSUYPAP-INIZCTEOSA-N 2 0 328.460 3.097 10 30 EGEERP C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001329893098 1389248657 /nfs/dbraw/zinc/24/86/57/1389248657.db2.gz LHYUWDAMODSJRJ-QFBILLFUSA-N 2 0 341.515 3.040 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001330623034 1389473656 /nfs/dbraw/zinc/47/36/56/1389473656.db2.gz VUAMKIFQMDCZDR-XIRDDKMYSA-N 2 0 340.471 3.095 10 30 EGEERP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001331054565 1389612502 /nfs/dbraw/zinc/61/25/02/1389612502.db2.gz UKCMVPZXUZDPQJ-GOSISDBHSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001332140196 1390003792 /nfs/dbraw/zinc/00/37/92/1390003792.db2.gz NCZIPPDGALCRJX-GUDVDZBRSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001479643099 1392302897 /nfs/dbraw/zinc/30/28/97/1392302897.db2.gz PCTHPGPNCBDZPN-IPMKNSEASA-N 2 0 335.536 3.185 10 30 EGEERP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001479691513 1392322862 /nfs/dbraw/zinc/32/28/62/1392322862.db2.gz KWOCIFIDGXMARE-IBGZPJMESA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001480736989 1392902798 /nfs/dbraw/zinc/90/27/98/1392902798.db2.gz KHYCWTLOTAOLCW-RTBURBONSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480829933 1392969380 /nfs/dbraw/zinc/96/93/80/1392969380.db2.gz PXBXGCUGROQUNX-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001481339293 1393167520 /nfs/dbraw/zinc/16/75/20/1393167520.db2.gz HBKTUIUCHZBOMZ-QGZVFWFLSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001490768150 1394331506 /nfs/dbraw/zinc/33/15/06/1394331506.db2.gz JKWMEJCXHJULHI-VQTJNVASSA-N 2 0 349.563 3.245 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001484529929 1395417471 /nfs/dbraw/zinc/41/74/71/1395417471.db2.gz BESCEGWEZSOAGI-LJQANCHMSA-N 2 0 349.563 3.293 10 30 EGEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001484891064 1395587694 /nfs/dbraw/zinc/58/76/94/1395587694.db2.gz CBSDANQRTOADND-FUHWJXTLSA-N 2 0 335.536 3.042 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001493129589 1396336605 /nfs/dbraw/zinc/33/66/05/1396336605.db2.gz SATQFKIHTZMKDD-GBESFXJTSA-N 2 0 337.552 3.268 10 30 EGEERP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001690128777 1404322758 /nfs/dbraw/zinc/32/27/58/1404322758.db2.gz TUXNOFPSPYTPRR-RBUKOAKNSA-N 2 0 349.563 3.269 10 30 EGEERP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001690357725 1404492475 /nfs/dbraw/zinc/49/24/75/1404492475.db2.gz DMOKYPVQOSDBTQ-HCXYKTFWSA-N 2 0 335.536 3.211 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001690474461 1404597064 /nfs/dbraw/zinc/59/70/64/1404597064.db2.gz GMICLVAGFAAJOR-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001690732839 1404701768 /nfs/dbraw/zinc/70/17/68/1404701768.db2.gz QVAWCGCYQUUJEH-ICSRJNTNSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001690814203 1404748869 /nfs/dbraw/zinc/74/88/69/1404748869.db2.gz CAYCLIJRRIBSOA-WOJBJXKFSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001690824860 1404762545 /nfs/dbraw/zinc/76/25/45/1404762545.db2.gz MJESSROPYIVBBX-LJQANCHMSA-N 2 0 335.536 3.142 10 30 EGEERP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001691434869 1405267515 /nfs/dbraw/zinc/26/75/15/1405267515.db2.gz SKKGBEIMHHWTOF-HOJAQTOUSA-N 2 0 347.547 3.044 10 30 EGEERP CCCCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691961588 1405680124 /nfs/dbraw/zinc/68/01/24/1405680124.db2.gz NJYOVBBORLSGCI-GUDVDZBRSA-N 2 0 337.552 3.077 10 30 EGEERP C=CCCC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001699695541 1413104654 /nfs/dbraw/zinc/10/46/54/1413104654.db2.gz ZTLMTAUJEDSTOW-LJQANCHMSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001699874395 1413327707 /nfs/dbraw/zinc/32/77/07/1413327707.db2.gz OQVQOUYNCHVUCR-FPOVZHCZSA-N 2 0 349.563 3.293 10 30 EGEERP C=CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001732547010 1428723462 /nfs/dbraw/zinc/72/34/62/1428723462.db2.gz ZHCZFAQGJIFOCI-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001700313023 1413768059 /nfs/dbraw/zinc/76/80/59/1413768059.db2.gz FASISSXLIOFYMX-QZTJIDSGSA-N 2 0 337.552 3.410 10 30 EGEERP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001732792518 1428973513 /nfs/dbraw/zinc/97/35/13/1428973513.db2.gz ZFLQOEQLEOXBLT-LJQANCHMSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001707107804 1417204343 /nfs/dbraw/zinc/20/43/43/1417204343.db2.gz QDIFRGSWNQTQCD-GBESFXJTSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001707238605 1417259150 /nfs/dbraw/zinc/25/91/50/1417259150.db2.gz SYRIVNDZLOBHCM-ROUUACIJSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001713133911 1417712029 /nfs/dbraw/zinc/71/20/29/1417712029.db2.gz CMLLIEITYIQOJO-UXHICEINSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713134288 1417712577 /nfs/dbraw/zinc/71/25/77/1417712577.db2.gz KXVLCWIHLMJANE-VQTJNVASSA-N 2 0 349.563 3.388 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001713216245 1417793069 /nfs/dbraw/zinc/79/30/69/1417793069.db2.gz BPDBCCKWDGQZFG-RBUKOAKNSA-N 2 0 337.552 3.269 10 30 EGEERP C=CCC[NH2+]C1CCC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001713291498 1417918857 /nfs/dbraw/zinc/91/88/57/1417918857.db2.gz NKSCROUWTKQAEE-SOAGJPPSSA-N 2 0 343.515 3.273 10 30 EGEERP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713398067 1418016725 /nfs/dbraw/zinc/01/67/25/1418016725.db2.gz PXHSYLLXVPRZHE-UYAOXDASSA-N 2 0 349.563 3.384 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001713741725 1418543714 /nfs/dbraw/zinc/54/37/14/1418543714.db2.gz NHWQXLAVTJFPRE-SFHVURJKSA-N 2 0 343.515 3.156 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001713851641 1418648140 /nfs/dbraw/zinc/64/81/40/1418648140.db2.gz WMRXZRNQMGWQJX-ZWKOTPCHSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713892282 1418689511 /nfs/dbraw/zinc/68/95/11/1418689511.db2.gz UDFJAZGNAYTJIG-SFHVURJKSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001714067781 1418863781 /nfs/dbraw/zinc/86/37/81/1418863781.db2.gz SFUZILRBZBVXEO-MOPGFXCFSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[NH2+]C[C@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@@H]1C ZINC001714188849 1418995754 /nfs/dbraw/zinc/99/57/54/1418995754.db2.gz ONBVJJPFLVCBOW-PZJWPPBQSA-N 2 0 349.563 3.339 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001714190514 1418997052 /nfs/dbraw/zinc/99/70/52/1418997052.db2.gz ZLRONSRFLXMSOD-UHFFFAOYSA-N 2 0 349.544 3.407 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001714810178 1419521054 /nfs/dbraw/zinc/52/10/54/1419521054.db2.gz FJNGGNJIYKSFCD-HNNXBMFYSA-N 2 0 340.471 3.049 10 30 EGEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CCCCC1 ZINC001714999042 1419730008 /nfs/dbraw/zinc/73/00/08/1419730008.db2.gz RPOAVDOFRBIPPC-RTBURBONSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CCCCC1 ZINC001714999039 1419730064 /nfs/dbraw/zinc/73/00/64/1419730064.db2.gz RPOAVDOFRBIPPC-MOPGFXCFSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001715175471 1419911369 /nfs/dbraw/zinc/91/13/69/1419911369.db2.gz GSJLGTAOMUYFAS-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[C@H](C)[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001715196812 1419928711 /nfs/dbraw/zinc/92/87/11/1419928711.db2.gz NGHPDDRKTLHYLN-KRWDZBQOSA-N 2 0 343.515 3.089 10 30 EGEERP C=CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001715455287 1420136898 /nfs/dbraw/zinc/13/68/98/1420136898.db2.gz IZASQCIBGBGLBI-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001715479351 1420157734 /nfs/dbraw/zinc/15/77/34/1420157734.db2.gz VYVXJOWOIVGNOX-SJLPKXTDSA-N 2 0 347.503 3.138 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001716769542 1420914019 /nfs/dbraw/zinc/91/40/19/1420914019.db2.gz PXIKQBMKMIIHJF-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001716769541 1420914087 /nfs/dbraw/zinc/91/40/87/1420914087.db2.gz PXIKQBMKMIIHJF-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001716900257 1421031239 /nfs/dbraw/zinc/03/12/39/1421031239.db2.gz NQOWOGIRXFJUNX-PZJWPPBQSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001717241787 1421210250 /nfs/dbraw/zinc/21/02/50/1421210250.db2.gz ZLCCSDLOCQKNIJ-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001717311767 1421255744 /nfs/dbraw/zinc/25/57/44/1421255744.db2.gz HVDQGKOAPIZRHI-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001717356424 1421291559 /nfs/dbraw/zinc/29/15/59/1421291559.db2.gz XRDQZAAXCPBPFL-SFHVURJKSA-N 2 0 349.563 3.386 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001717632180 1421542283 /nfs/dbraw/zinc/54/22/83/1421542283.db2.gz BYZGUDSZNVUXJJ-SESVDKBCSA-N 2 0 349.563 3.079 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717681482 1421563927 /nfs/dbraw/zinc/56/39/27/1421563927.db2.gz FXFSCDVGDPDNHT-IEBWSBKVSA-N 2 0 335.536 3.234 10 30 EGEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001717978637 1421749890 /nfs/dbraw/zinc/74/98/90/1421749890.db2.gz CSHNBRNBABYAAY-MJGOQNOKSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001724707577 1425063869 /nfs/dbraw/zinc/06/38/69/1425063869.db2.gz LYVDTIJLHLXVKM-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001724957554 1425344571 /nfs/dbraw/zinc/34/45/71/1425344571.db2.gz WDFKJVDKVVASAR-GOSISDBHSA-N 2 0 337.552 3.412 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@@H]1C ZINC001724995196 1425401301 /nfs/dbraw/zinc/40/13/01/1425401301.db2.gz OKUDQRUGEGBPNB-DLBZAZTESA-N 2 0 335.536 3.185 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@@H]1C ZINC001724995201 1425401448 /nfs/dbraw/zinc/40/14/48/1425401448.db2.gz OKUDQRUGEGBPNB-IRXDYDNUSA-N 2 0 335.536 3.185 10 30 EGEERP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001725761462 1426441657 /nfs/dbraw/zinc/44/16/57/1426441657.db2.gz AQFOWCIIFAFIFU-GOSISDBHSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001731290634 1427232921 /nfs/dbraw/zinc/23/29/21/1427232921.db2.gz AXRSUTXKXBDXLK-HKUYNNGSSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[NH+]1CCC(N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001731351689 1427290722 /nfs/dbraw/zinc/29/07/22/1427290722.db2.gz AFOLGTYTFUQIBH-FQEVSTJZSA-N 2 0 343.515 3.178 10 30 EGEERP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001731366092 1427298259 /nfs/dbraw/zinc/29/82/59/1427298259.db2.gz WMFGUVGILBCDDC-HXUWFJFHSA-N 2 0 347.547 3.282 10 30 EGEERP CCCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001731419294 1427393853 /nfs/dbraw/zinc/39/38/53/1427393853.db2.gz QKVDOEOMWPFIOC-LJQANCHMSA-N 2 0 349.563 3.223 10 30 EGEERP CCCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001731419293 1427394172 /nfs/dbraw/zinc/39/41/72/1427394172.db2.gz QKVDOEOMWPFIOC-IBGZPJMESA-N 2 0 349.563 3.223 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001731499904 1427479559 /nfs/dbraw/zinc/47/95/59/1427479559.db2.gz AMZWHBXCZQJENY-SFHVURJKSA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001731515167 1427502730 /nfs/dbraw/zinc/50/27/30/1427502730.db2.gz JQJSMGTYBITHAS-GUDVDZBRSA-N 2 0 337.552 3.125 10 30 EGEERP C=CCCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001731551579 1427572974 /nfs/dbraw/zinc/57/29/74/1427572974.db2.gz LODRHKYNHFAHHQ-PMACEKPBSA-N 2 0 347.547 3.282 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001731996272 1428205073 /nfs/dbraw/zinc/20/50/73/1428205073.db2.gz KFGLKMJGIBANFP-HNNXBMFYSA-N 2 0 349.544 3.216 10 30 EGEERP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001733607622 1429824402 /nfs/dbraw/zinc/82/44/02/1429824402.db2.gz TZOSJGUDXAWCTO-UXHICEINSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001733607885 1429824944 /nfs/dbraw/zinc/82/49/44/1429824944.db2.gz XKMWEGAXZZFXQO-VQTJNVASSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001733682845 1429896152 /nfs/dbraw/zinc/89/61/52/1429896152.db2.gz AHWDZTCIMBSIQP-MSOLQXFVSA-N 2 0 343.515 3.261 10 30 EGEERP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001734032797 1437820410 /nfs/dbraw/zinc/82/04/10/1437820410.db2.gz AXOHTHNSNQSDRV-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@@H](CCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001734081284 1437868515 /nfs/dbraw/zinc/86/85/15/1437868515.db2.gz ZIGRWHAEFYMFRL-IBGZPJMESA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001734209242 1437944187 /nfs/dbraw/zinc/94/41/87/1437944187.db2.gz WCJCBILQUKMYRN-GUDVDZBRSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001734449538 1438108768 /nfs/dbraw/zinc/10/87/68/1438108768.db2.gz LLZUCJJZXSNOQS-XUVXKRRUSA-N 2 0 347.547 3.045 10 30 EGEERP CCCCCCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001734626694 1438191377 /nfs/dbraw/zinc/19/13/77/1438191377.db2.gz VJNOXRSKVFECPT-FQEVSTJZSA-N 2 0 347.547 3.047 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001750930915 1440113230 /nfs/dbraw/zinc/11/32/30/1440113230.db2.gz ASWIZBICVZIKBM-UXHICEINSA-N 2 0 349.563 3.386 10 30 EGEERP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600717939 460578203 /nfs/dbraw/zinc/57/82/03/460578203.db2.gz UJDVCISZPRQXMK-YLJYHZDGSA-N 2 0 341.499 3.063 10 30 EGEERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135197854 454645946 /nfs/dbraw/zinc/64/59/46/454645946.db2.gz RAEKKWDCYMEPFX-QGZVFWFLSA-N 2 0 343.515 3.012 10 30 EGEERP N#CCCCOc1cccc(CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000127719815 454990642 /nfs/dbraw/zinc/99/06/42/454990642.db2.gz OIFNYEGPHPSHDR-UHFFFAOYSA-N 2 0 327.472 3.429 10 30 EGEERP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000280687837 456032120 /nfs/dbraw/zinc/03/21/20/456032120.db2.gz ASOHJUOFNZQYSH-KCLUMXDGSA-N 2 0 328.500 3.468 10 30 EGEERP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000594510172 459069303 /nfs/dbraw/zinc/06/93/03/459069303.db2.gz AIACSEBDDMVJON-SFHVURJKSA-N 2 0 341.499 3.078 10 30 EGEERP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000595895505 459480282 /nfs/dbraw/zinc/48/02/82/459480282.db2.gz OGZIULRVCYABTP-GJZGRUSLSA-N 2 0 337.389 3.399 10 30 EGEERP C[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1(C)C ZINC000598973513 460111498 /nfs/dbraw/zinc/11/14/98/460111498.db2.gz KXSVNPRSHKEVQS-ADKAHSJRSA-N 2 0 342.487 3.106 10 30 EGEERP C=CC[NH+]1CCC(Nc2[nH+]ccc3cc(OC)c(OC)cc32)CC1 ZINC000663570457 461707910 /nfs/dbraw/zinc/70/79/10/461707910.db2.gz WBQDJUCNXWSWGT-UHFFFAOYSA-N 2 0 327.428 3.314 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000876719627 1298937389 /nfs/dbraw/zinc/93/73/89/1298937389.db2.gz QAARKDXSFDYKDL-YOEHRIQHSA-N 2 0 335.879 3.469 10 30 EGEERP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886620022 1303528053 /nfs/dbraw/zinc/52/80/53/1303528053.db2.gz AAEAIDWFANMENS-LUYSREMJSA-N 2 0 326.484 3.363 10 30 EGEERP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940737022 1331173610 /nfs/dbraw/zinc/17/36/10/1331173610.db2.gz MCFNMGMKCDQPMT-QZTJIDSGSA-N 2 0 335.536 3.042 10 30 EGEERP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743481 1331176152 /nfs/dbraw/zinc/17/61/52/1331176152.db2.gz ATGVJKHBOWMTKF-PKOBYXMFSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940746110 1331177776 /nfs/dbraw/zinc/17/77/76/1331177776.db2.gz ZWNOFXOYAFEGTQ-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075954 1331322500 /nfs/dbraw/zinc/32/25/00/1331322500.db2.gz RMIZAJFHXZNISD-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941237425 1331402573 /nfs/dbraw/zinc/40/25/73/1331402573.db2.gz NETKHJXXRJEEDJ-LJQANCHMSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001323816305 1387467048 /nfs/dbraw/zinc/46/70/48/1387467048.db2.gz NOESBWJNBPQXQP-CTNGQTDRSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)[C@H](CO)[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001195658922 1368466712 /nfs/dbraw/zinc/46/67/12/1368466712.db2.gz HBCPCECYWAKZJB-FQEVSTJZSA-N 2 0 328.500 3.302 10 30 EGEERP C=CCC[C@@H](C)[NH+]1C[C@@]2(C)CN(C(=O)CC[N@@H+](C)CCC)C[C@@]2(C)C1 ZINC001276913163 1378192806 /nfs/dbraw/zinc/19/28/06/1378192806.db2.gz XMMNGDCAHJRWIL-NRSPTQNISA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001282972414 1378693943 /nfs/dbraw/zinc/69/39/43/1378693943.db2.gz IJSBALVVVBDVQL-SFHVURJKSA-N 2 0 349.563 3.243 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)Cc3[nH]cnc3C)CCC[C@@H]12 ZINC001284070930 1379433189 /nfs/dbraw/zinc/43/31/89/1379433189.db2.gz KUSPNLGWCBFOEW-UYAOXDASSA-N 2 0 346.519 3.344 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001284101451 1379472615 /nfs/dbraw/zinc/47/26/15/1379472615.db2.gz JGZSFSMYFNATLF-HSALFYBXSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001284599627 1380000190 /nfs/dbraw/zinc/00/01/90/1380000190.db2.gz VYNRABKDXFAUSB-OALUTQOASA-N 2 0 349.563 3.480 10 30 EGEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001284619205 1380018709 /nfs/dbraw/zinc/01/87/09/1380018709.db2.gz QKXKQVOWIQHIDO-RTBURBONSA-N 2 0 349.563 3.480 10 30 EGEERP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001328098403 1388670198 /nfs/dbraw/zinc/67/01/98/1388670198.db2.gz MTWOCUTYGUUMAZ-GOSISDBHSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001316771990 1384570732 /nfs/dbraw/zinc/57/07/32/1384570732.db2.gz VMOLVIHIAUZUPC-LJQANCHMSA-N 2 0 335.536 3.189 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001318437402 1385690173 /nfs/dbraw/zinc/69/01/73/1385690173.db2.gz PKZBIPRKAJUFBS-IBGZPJMESA-N 2 0 337.552 3.221 10 30 EGEERP C=CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001318884549 1385869662 /nfs/dbraw/zinc/86/96/62/1385869662.db2.gz CKADLWCWMRWYPR-LJQANCHMSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+]CCC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001318918892 1385882440 /nfs/dbraw/zinc/88/24/40/1385882440.db2.gz ZNKUCKINENGKQF-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001319008618 1385922798 /nfs/dbraw/zinc/92/27/98/1385922798.db2.gz HFMADQDCINUWQV-HZPDHXFCSA-N 2 0 349.906 3.018 10 30 EGEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001319459725 1386130763 /nfs/dbraw/zinc/13/07/63/1386130763.db2.gz BMVJUZWPZPJOAC-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC001331023219 1389599826 /nfs/dbraw/zinc/59/98/26/1389599826.db2.gz SJBUGCGDQKVVKX-ZDUSSCGKSA-N 2 0 349.784 3.175 10 30 EGEERP C=CC[NH2+]CCC[C@H](NC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001331175598 1389642289 /nfs/dbraw/zinc/64/22/89/1389642289.db2.gz BSVHDDIUUAWRIO-IBGZPJMESA-N 2 0 341.499 3.028 10 30 EGEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001486441937 1391008438 /nfs/dbraw/zinc/00/84/38/1391008438.db2.gz VTXWBKHCGADQRO-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001479689130 1392320724 /nfs/dbraw/zinc/32/07/24/1392320724.db2.gz XZBQZLGCYBFAJO-UYAOXDASSA-N 2 0 347.547 3.330 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001479691197 1392322689 /nfs/dbraw/zinc/32/26/89/1392322689.db2.gz XJPMQVVPIYYGKW-RTBURBONSA-N 2 0 337.552 3.412 10 30 EGEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001479745191 1392360152 /nfs/dbraw/zinc/36/01/52/1392360152.db2.gz JGHZHGZZOVAVKC-GBESFXJTSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001479747305 1392364168 /nfs/dbraw/zinc/36/41/68/1392364168.db2.gz XBDQAUWHRPYJKB-MSOLQXFVSA-N 2 0 337.552 3.146 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001479823484 1392412631 /nfs/dbraw/zinc/41/26/31/1392412631.db2.gz DZTFHKZXWPPRCS-KXBFYZLASA-N 2 0 340.471 3.192 10 30 EGEERP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480085249 1392574714 /nfs/dbraw/zinc/57/47/14/1392574714.db2.gz MVGGKXWYCFDMBP-IBGZPJMESA-N 2 0 343.515 3.108 10 30 EGEERP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001480189857 1392618952 /nfs/dbraw/zinc/61/89/52/1392618952.db2.gz TUVCNVYVKMBJJY-PMACEKPBSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001480301595 1392666697 /nfs/dbraw/zinc/66/66/97/1392666697.db2.gz XEFUAXWMNOYILF-ICSRJNTNSA-N 2 0 343.515 3.084 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001481054764 1393108087 /nfs/dbraw/zinc/10/80/87/1393108087.db2.gz SIMOTBHQKZATDO-GBESFXJTSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001698930571 1406667445 /nfs/dbraw/zinc/66/74/45/1406667445.db2.gz CDZFGUPSAXKGAD-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001490454780 1394232770 /nfs/dbraw/zinc/23/27/70/1394232770.db2.gz LCLINACAEKFPJI-PXNSSMCTSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001491110211 1394431134 /nfs/dbraw/zinc/43/11/34/1394431134.db2.gz FJCZJBZKIZVFEF-SFHVURJKSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001698955513 1406701897 /nfs/dbraw/zinc/70/18/97/1406701897.db2.gz PFDKENDQQSNBBN-UXHICEINSA-N 2 0 347.547 3.140 10 30 EGEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001481978358 1394640016 /nfs/dbraw/zinc/64/00/16/1394640016.db2.gz GWVUNLDBQXVXTE-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001482004610 1394664453 /nfs/dbraw/zinc/66/44/53/1394664453.db2.gz WLHPDOIPCRKXMU-UHFFFAOYSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CCCCC1 ZINC001482410866 1394975409 /nfs/dbraw/zinc/97/54/09/1394975409.db2.gz QOJUBRIFUVWDNL-OALUTQOASA-N 2 0 335.536 3.090 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001482429514 1394989703 /nfs/dbraw/zinc/98/97/03/1394989703.db2.gz QPTMNVYRXHNHSU-IEBWSBKVSA-N 2 0 337.552 3.125 10 30 EGEERP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001484170351 1395309886 /nfs/dbraw/zinc/30/98/86/1395309886.db2.gz ONKDTFWKRGUPJM-AZUAARDMSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(Cl)C[NH2+]CCC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001485779148 1396149153 /nfs/dbraw/zinc/14/91/53/1396149153.db2.gz VWTDVXRNZXXTRT-ROUUACIJSA-N 2 0 349.906 3.060 10 30 EGEERP C=C(C)CC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001495960527 1396578716 /nfs/dbraw/zinc/57/87/16/1396578716.db2.gz GRECUYLJPBWIAN-UHFFFAOYSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001496350623 1396660690 /nfs/dbraw/zinc/66/06/90/1396660690.db2.gz ISIZKASIGBRYED-FUHWJXTLSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001689131912 1396936855 /nfs/dbraw/zinc/93/68/55/1396936855.db2.gz XMMCLOBXUMQPBR-VAMGGRTRSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001689261704 1396994365 /nfs/dbraw/zinc/99/43/65/1396994365.db2.gz BUQFSVKYHFESLP-GBESFXJTSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001689951950 1404223568 /nfs/dbraw/zinc/22/35/68/1404223568.db2.gz OQDKTKBBVRUKCP-IBGZPJMESA-N 2 0 335.536 3.188 10 30 EGEERP CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001690207083 1404414891 /nfs/dbraw/zinc/41/48/91/1404414891.db2.gz KRYXFDFKLJWKDG-KDURUIRLSA-N 2 0 335.536 3.116 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690386001 1404519164 /nfs/dbraw/zinc/51/91/64/1404519164.db2.gz TWLZYOHDJBWARE-LJQANCHMSA-N 2 0 349.563 3.293 10 30 EGEERP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001690823160 1404759468 /nfs/dbraw/zinc/75/94/68/1404759468.db2.gz TXQQVLXUKJUZLJ-WOJBJXKFSA-N 2 0 343.515 3.178 10 30 EGEERP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001691165891 1405100972 /nfs/dbraw/zinc/10/09/72/1405100972.db2.gz IRXJVAOEYQMQMK-QUCCMNQESA-N 2 0 343.515 3.084 10 30 EGEERP C=CCCCCC[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001691679769 1405415386 /nfs/dbraw/zinc/41/53/86/1405415386.db2.gz YDBRSTHAUNZSJY-GOSISDBHSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001691823573 1405539372 /nfs/dbraw/zinc/53/93/72/1405539372.db2.gz SWKQHSRGQIFCEU-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001732307428 1428522257 /nfs/dbraw/zinc/52/22/57/1428522257.db2.gz BNWFTKFAXJYXDA-VPAKFMSCSA-N 2 0 335.536 3.088 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001732477367 1428603407 /nfs/dbraw/zinc/60/34/07/1428603407.db2.gz MKXIGPUWFREKLI-PXNSSMCTSA-N 2 0 349.563 3.338 10 30 EGEERP CC#CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C1CCCCCC1 ZINC001699685519 1413084700 /nfs/dbraw/zinc/08/47/00/1413084700.db2.gz VBGNXRJXOXXUBL-FQEVSTJZSA-N 2 0 347.547 3.024 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001699824212 1413248043 /nfs/dbraw/zinc/24/80/43/1413248043.db2.gz PYRBNZFFMNBNES-PMACEKPBSA-N 2 0 335.536 3.023 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001732547736 1428725777 /nfs/dbraw/zinc/72/57/77/1428725777.db2.gz ZZJXDMYONAVYEA-PXNSSMCTSA-N 2 0 343.515 3.155 10 30 EGEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001700091821 1413505495 /nfs/dbraw/zinc/50/54/95/1413505495.db2.gz PJWVMAGWLBYTOC-FXAWDEMLSA-N 2 0 343.515 3.041 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001700199158 1413641051 /nfs/dbraw/zinc/64/10/51/1413641051.db2.gz UHBFZMPZSNEKBA-VQTJNVASSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001700220634 1413666762 /nfs/dbraw/zinc/66/67/62/1413666762.db2.gz PUKFTJUDUIOBOL-UHFFFAOYSA-N 2 0 340.471 3.193 10 30 EGEERP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001700443248 1414016267 /nfs/dbraw/zinc/01/62/67/1414016267.db2.gz YQRHCVHZAFXVNS-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(Cl)C[NH2+]CC1(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001700520610 1414175333 /nfs/dbraw/zinc/17/53/33/1414175333.db2.gz GTWIMKMZFUCMQQ-HZPDHXFCSA-N 2 0 341.927 3.020 10 30 EGEERP C=C(Cl)C[NH2+]CC1(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001700520609 1414175364 /nfs/dbraw/zinc/17/53/64/1414175364.db2.gz GTWIMKMZFUCMQQ-HOTGVXAUSA-N 2 0 341.927 3.020 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001700883221 1414540897 /nfs/dbraw/zinc/54/08/97/1414540897.db2.gz RESZZJCUJHBQRK-PMACEKPBSA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001713087034 1417633173 /nfs/dbraw/zinc/63/31/73/1417633173.db2.gz BUSBJZLRGDHOIE-RBUKOAKNSA-N 2 0 337.552 3.410 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001713718551 1418486905 /nfs/dbraw/zinc/48/69/05/1418486905.db2.gz JHJYDASNAJBIAC-UXHICEINSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001713758546 1418564601 /nfs/dbraw/zinc/56/46/01/1418564601.db2.gz RZWBSLHXRVGOSL-AZUAARDMSA-N 2 0 343.515 3.036 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001714025874 1418811096 /nfs/dbraw/zinc/81/10/96/1418811096.db2.gz UVDRUWKWAWHQQU-OALUTQOASA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001714118474 1418923187 /nfs/dbraw/zinc/92/31/87/1418923187.db2.gz SHCNPKVJWPUVHR-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001714413454 1419151656 /nfs/dbraw/zinc/15/16/56/1419151656.db2.gz XAAHWXNPWJPCIA-WOJBJXKFSA-N 2 0 347.547 3.092 10 30 EGEERP CCCCCCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001714448464 1419180855 /nfs/dbraw/zinc/18/08/55/1419180855.db2.gz KDQKEEUSJGWYFH-MOPGFXCFSA-N 2 0 337.552 3.221 10 30 EGEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001714522009 1419247756 /nfs/dbraw/zinc/24/77/56/1419247756.db2.gz JFWPJKDTVOJFTQ-HXUWFJFHSA-N 2 0 347.547 3.025 10 30 EGEERP C=C(C)CC[NH+]1CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001714632799 1419403732 /nfs/dbraw/zinc/40/37/32/1419403732.db2.gz BSAJVMVFYCFYHE-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[N@@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001714894657 1419634129 /nfs/dbraw/zinc/63/41/29/1419634129.db2.gz HAIRPQWTKAHXQP-LJQANCHMSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CCCCC1 ZINC001714999040 1419729878 /nfs/dbraw/zinc/72/98/78/1419729878.db2.gz RPOAVDOFRBIPPC-OALUTQOASA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001715045393 1419785861 /nfs/dbraw/zinc/78/58/61/1419785861.db2.gz OGLZYIBAMAHMIS-RBUKOAKNSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)CCC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001715484672 1420164456 /nfs/dbraw/zinc/16/44/56/1420164456.db2.gz KKLXFRDULXNOAK-UYAOXDASSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001716063628 1420523065 /nfs/dbraw/zinc/52/30/65/1420523065.db2.gz PLKYRUWGTWEQHJ-AEFFLSMTSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001733272936 1429435874 /nfs/dbraw/zinc/43/58/74/1429435874.db2.gz XIWWSYNVIQLUQI-UMQXSMKFSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001733276557 1429440952 /nfs/dbraw/zinc/44/09/52/1429440952.db2.gz UYGCMSHDLQJPTD-SXLOBPIMSA-N 2 0 347.547 3.138 10 30 EGEERP C=CCC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCCCC1 ZINC001733277551 1429443518 /nfs/dbraw/zinc/44/35/18/1429443518.db2.gz HJVZHWRSUPZBLY-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001716888051 1421011660 /nfs/dbraw/zinc/01/16/60/1421011660.db2.gz JUHSHZLDDVKMTR-MOPGFXCFSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001716903208 1421036476 /nfs/dbraw/zinc/03/64/76/1421036476.db2.gz ZQFODATVGFLEMN-ICSRJNTNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001717198232 1421165245 /nfs/dbraw/zinc/16/52/45/1421165245.db2.gz NSXGTEMKUVAXPO-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001717281267 1421232799 /nfs/dbraw/zinc/23/27/99/1421232799.db2.gz IGWVSPWCPNHIQE-ROUUACIJSA-N 2 0 335.536 3.022 10 30 EGEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC001717309056 1421251134 /nfs/dbraw/zinc/25/11/34/1421251134.db2.gz DNWQXDGCURFNKO-RBUKOAKNSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001717356840 1421292186 /nfs/dbraw/zinc/29/21/86/1421292186.db2.gz NMXOKCSMCQIOMD-UHFFFAOYSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001717536164 1421473617 /nfs/dbraw/zinc/47/36/17/1421473617.db2.gz FJLQNKFYCAGOGP-RTBURBONSA-N 2 0 335.536 3.186 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001717624385 1421533262 /nfs/dbraw/zinc/53/32/62/1421533262.db2.gz QRLZOHXJYYBEMT-UFYCRDLUSA-N 2 0 349.563 3.269 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001723692293 1424533330 /nfs/dbraw/zinc/53/33/30/1424533330.db2.gz XCRNGGATQBEYND-NRFANRHFSA-N 2 0 347.547 3.143 10 30 EGEERP C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001724126003 1424677210 /nfs/dbraw/zinc/67/72/10/1424677210.db2.gz NQAPBSLCKKJVCI-NRFANRHFSA-N 2 0 349.563 3.389 10 30 EGEERP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001724294783 1424779563 /nfs/dbraw/zinc/77/95/63/1424779563.db2.gz YPKYRHBOKXZJID-OALUTQOASA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001724870347 1425254286 /nfs/dbraw/zinc/25/42/86/1425254286.db2.gz YIRFWAHQWRTEFS-WOJBJXKFSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001724999279 1425407243 /nfs/dbraw/zinc/40/72/43/1425407243.db2.gz CIZPMWAYCFDJOT-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001725057796 1425496578 /nfs/dbraw/zinc/49/65/78/1425496578.db2.gz KKZHGFJXIUHQMJ-RBUKOAKNSA-N 2 0 349.563 3.101 10 30 EGEERP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001725227752 1425797201 /nfs/dbraw/zinc/79/72/01/1425797201.db2.gz BLLPVIXRMTYQJV-RBUKOAKNSA-N 2 0 347.547 3.378 10 30 EGEERP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@@H+](C)C3CCCCC3)C[C@@H]2C1 ZINC001725335995 1425981973 /nfs/dbraw/zinc/98/19/73/1425981973.db2.gz LTSKKCKNMHIFDC-IPMKNSEASA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001725426313 1426088037 /nfs/dbraw/zinc/08/80/37/1426088037.db2.gz SAEHDNHHLSLJIG-IBGZPJMESA-N 2 0 335.536 3.138 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC1(C)C ZINC001725677255 1426363185 /nfs/dbraw/zinc/36/31/85/1426363185.db2.gz NQYGZNLEINDMQT-IEBWSBKVSA-N 2 0 349.563 3.288 10 30 EGEERP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001725786202 1426471886 /nfs/dbraw/zinc/47/18/86/1426471886.db2.gz JUQPMPGEJCDNLP-DAWZGUTISA-N 2 0 349.906 3.011 10 30 EGEERP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001731664082 1427715011 /nfs/dbraw/zinc/71/50/11/1427715011.db2.gz VDRNGVMDVCJONW-IBGZPJMESA-N 2 0 349.563 3.271 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001731761646 1427865606 /nfs/dbraw/zinc/86/56/06/1427865606.db2.gz WDPSCCOIFJMIDV-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001733580982 1429785171 /nfs/dbraw/zinc/78/51/71/1429785171.db2.gz TYDWZXPEODZQSP-BGYRXZFFSA-N 2 0 349.563 3.223 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001733760355 1429974866 /nfs/dbraw/zinc/97/48/66/1429974866.db2.gz KGIYZJFIUPXVMX-RBUKOAKNSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001733782351 1430049061 /nfs/dbraw/zinc/04/90/61/1430049061.db2.gz GOLIYAXGMMXEKA-VQTJNVASSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001733814577 1430095639 /nfs/dbraw/zinc/09/56/39/1430095639.db2.gz RKNNCKZUZOKEIH-CTNGQTDRSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001734010880 1437802358 /nfs/dbraw/zinc/80/23/58/1437802358.db2.gz VBNWNNWJWVMYBO-UHFFFAOYSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(C)(C)C ZINC001734568795 1438163843 /nfs/dbraw/zinc/16/38/43/1438163843.db2.gz UATPGGQPWRNWDY-KRWDZBQOSA-N 2 0 337.552 3.195 10 30 EGEERP C[N@@H+]1CC[C@H]([NH2+]CCSCc2ccccc2C#N)[C@@H]2CCC[C@@H]21 ZINC000367616023 168249853 /nfs/dbraw/zinc/24/98/53/168249853.db2.gz MXKIYEHVKCBFKP-FHWLQOOXSA-N 2 0 329.513 3.254 10 30 EGEERP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)C1 ZINC000600716554 460576784 /nfs/dbraw/zinc/57/67/84/460576784.db2.gz HEXHBDJSAGPUPH-FXAWDEMLSA-N 2 0 341.499 3.063 10 30 EGEERP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000245791370 455379844 /nfs/dbraw/zinc/37/98/44/455379844.db2.gz WDBQYJARPHRKER-FQEVSTJZSA-N 2 0 340.515 3.344 10 30 EGEERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000181827423 455387010 /nfs/dbraw/zinc/38/70/10/455387010.db2.gz KVFPIBWNHMNCON-SFHVURJKSA-N 2 0 340.515 3.159 10 30 EGEERP C=CCOc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000246091707 455424327 /nfs/dbraw/zinc/42/43/27/455424327.db2.gz IRMVUJKGOFSADI-QZTJIDSGSA-N 2 0 330.472 3.176 10 30 EGEERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000341216763 456822944 /nfs/dbraw/zinc/82/29/44/456822944.db2.gz UFJNONPGKSMFPP-UHFFFAOYSA-N 2 0 329.407 3.226 10 30 EGEERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000423016355 458429389 /nfs/dbraw/zinc/42/93/89/458429389.db2.gz MKWWFLXOYNBVNY-IWMITWMQSA-N 2 0 335.451 3.067 10 30 EGEERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618742629 460152373 /nfs/dbraw/zinc/15/23/73/460152373.db2.gz NIAJDIQVZDPCJQ-HXUWFJFHSA-N 2 0 329.407 3.225 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000876763143 1298968607 /nfs/dbraw/zinc/96/86/07/1298968607.db2.gz OAACZJTWMYMLKK-DOTOQJQBSA-N 2 0 349.906 3.236 10 30 EGEERP C=CC1(CC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCCCC1 ZINC000932577935 1329824586 /nfs/dbraw/zinc/82/45/86/1329824586.db2.gz TUQJOSINKSZVGT-IBGZPJMESA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940857779 1331223017 /nfs/dbraw/zinc/22/30/17/1331223017.db2.gz CZROQHYSFAHNKO-MOPGFXCFSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001327131922 1388395295 /nfs/dbraw/zinc/39/52/95/1388395295.db2.gz VXBBEBFBPJTWOR-SFHVURJKSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001327299931 1388490351 /nfs/dbraw/zinc/49/03/51/1388490351.db2.gz QYSHLYKKAUWJCA-VQTJNVASSA-N 2 0 349.563 3.245 10 30 EGEERP C=CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001327299858 1388491074 /nfs/dbraw/zinc/49/10/74/1388491074.db2.gz PSXFFDZFKMKWDG-RTBURBONSA-N 2 0 349.563 3.101 10 30 EGEERP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001327307736 1388494033 /nfs/dbraw/zinc/49/40/33/1388494033.db2.gz GQVORNVHIBFROL-UXHICEINSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[N@H+](CCC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001267315069 1377440107 /nfs/dbraw/zinc/44/01/07/1377440107.db2.gz GQYWDUYLEIXMFJ-UHFFFAOYSA-N 2 0 328.460 3.051 10 30 EGEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001282715092 1378574050 /nfs/dbraw/zinc/57/40/50/1378574050.db2.gz OHNFDLNXKXVPPJ-MSOLQXFVSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001282973737 1378693373 /nfs/dbraw/zinc/69/33/73/1378693373.db2.gz WHIHEEYVZKWHHR-MOPGFXCFSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001284701903 1380116636 /nfs/dbraw/zinc/11/66/36/1380116636.db2.gz GTQNOPMUHWUCPX-UYAOXDASSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001328049056 1388653798 /nfs/dbraw/zinc/65/37/98/1388653798.db2.gz FDQXYMURCALCNF-IBGZPJMESA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001328265671 1388703474 /nfs/dbraw/zinc/70/34/74/1388703474.db2.gz CLAHHDNMIZMOEO-ROUUACIJSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001328387542 1388734430 /nfs/dbraw/zinc/73/44/30/1388734430.db2.gz COTKIALUYPUETA-HKUYNNGSSA-N 2 0 335.536 3.234 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001316775870 1384574766 /nfs/dbraw/zinc/57/47/66/1384574766.db2.gz UIPYSQLZFGIKAA-VQTJNVASSA-N 2 0 349.563 3.435 10 30 EGEERP CCCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317035604 1384805627 /nfs/dbraw/zinc/80/56/27/1384805627.db2.gz NLZWYTIIKLKIOQ-RTBURBONSA-N 2 0 337.552 3.221 10 30 EGEERP C=CCCC[NH+]1CCC(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001319038708 1385940790 /nfs/dbraw/zinc/94/07/90/1385940790.db2.gz UEPYBSHJFBCTJG-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CC[NH+](CC)CC)c1ccccc1 ZINC001343748793 1390734646 /nfs/dbraw/zinc/73/46/46/1390734646.db2.gz QKHQBDXAGFFPTD-DLBZAZTESA-N 2 0 337.895 3.046 10 30 EGEERP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001480331452 1392690381 /nfs/dbraw/zinc/69/03/81/1392690381.db2.gz LZOIELMQHCXAQE-HXUWFJFHSA-N 2 0 343.515 3.299 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001480354027 1392701928 /nfs/dbraw/zinc/70/19/28/1392701928.db2.gz PQFNPYXMQWBTJI-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001481360364 1394199758 /nfs/dbraw/zinc/19/97/58/1394199758.db2.gz RBEPOBXNONMKLC-WOJBJXKFSA-N 2 0 343.515 3.085 10 30 EGEERP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001490597296 1394278455 /nfs/dbraw/zinc/27/84/55/1394278455.db2.gz OYTVNMPAFPJFFU-MOPGFXCFSA-N 2 0 349.563 3.412 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001491110416 1394430971 /nfs/dbraw/zinc/43/09/71/1394430971.db2.gz HFURUDKFUXPJKO-RTBURBONSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001491270889 1394498941 /nfs/dbraw/zinc/49/89/41/1394498941.db2.gz JGRAYDACSQSOMT-VQTJNVASSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001481845017 1394555358 /nfs/dbraw/zinc/55/53/58/1394555358.db2.gz YNTHHXQZCLXHHG-IEBWSBKVSA-N 2 0 335.536 3.234 10 30 EGEERP C=CC[NH2+]CCC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001482000829 1394659666 /nfs/dbraw/zinc/65/96/66/1394659666.db2.gz IIYIUDDCQAVFQF-UHFFFAOYSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2 ZINC001482071414 1394734682 /nfs/dbraw/zinc/73/46/82/1394734682.db2.gz FPPLQCWKLMASEC-UHFFFAOYSA-N 2 0 349.563 3.245 10 30 EGEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001505401284 1396289319 /nfs/dbraw/zinc/28/93/19/1396289319.db2.gz XNTZDIPVQRJSAG-OALUTQOASA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001492172043 1396312182 /nfs/dbraw/zinc/31/21/82/1396312182.db2.gz UNZSOEZRLIJVGD-HXUWFJFHSA-N 2 0 349.563 3.434 10 30 EGEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001690193484 1404399958 /nfs/dbraw/zinc/39/99/58/1404399958.db2.gz ZVMAVELBLOZUNN-UYAOXDASSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001690902542 1404810804 /nfs/dbraw/zinc/81/08/04/1404810804.db2.gz WSGOOWOJQYHCSN-KRWDZBQOSA-N 2 0 340.471 3.193 10 30 EGEERP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)(C)C ZINC001725748820 1426426740 /nfs/dbraw/zinc/42/67/40/1426426740.db2.gz DBUBCBOIDVSPRR-MSOLQXFVSA-N 2 0 337.552 3.336 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)CC(C)(C)C1 ZINC001691818554 1405532930 /nfs/dbraw/zinc/53/29/30/1405532930.db2.gz FJVKZRDQPYTJGR-ZWKOTPCHSA-N 2 0 337.552 3.290 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001692364661 1405975333 /nfs/dbraw/zinc/97/53/33/1405975333.db2.gz JECNOPUCVYQGHU-FHWLQOOXSA-N 2 0 335.536 3.115 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001692372799 1405980798 /nfs/dbraw/zinc/98/07/98/1405980798.db2.gz NZOVIHGXSMBBQF-AEFFLSMTSA-N 2 0 335.536 3.185 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001732302461 1428519926 /nfs/dbraw/zinc/51/99/26/1428519926.db2.gz YTPMIAACCRUZTO-VQTJNVASSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001732302459 1428520103 /nfs/dbraw/zinc/52/01/03/1428520103.db2.gz YTPMIAACCRUZTO-UXHICEINSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001732522893 1428641667 /nfs/dbraw/zinc/64/16/67/1428641667.db2.gz CLMXTBPKQLQKLL-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001732525636 1428645512 /nfs/dbraw/zinc/64/55/12/1428645512.db2.gz ADGJVHGVJYUDCJ-FXAWDEMLSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001732531758 1428652830 /nfs/dbraw/zinc/65/28/30/1428652830.db2.gz ZUSAEMKWKLTZSK-QZTJIDSGSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001699714176 1413127640 /nfs/dbraw/zinc/12/76/40/1413127640.db2.gz BOGIQKICVFBUSK-MSOLQXFVSA-N 2 0 347.547 3.138 10 30 EGEERP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001699805628 1413220278 /nfs/dbraw/zinc/22/02/78/1413220278.db2.gz VUWDHUFUEMUOFV-PZJWPPBQSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001699806476 1413221006 /nfs/dbraw/zinc/22/10/06/1413221006.db2.gz MFJXZJWADWHMFA-NRFANRHFSA-N 2 0 349.563 3.389 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001699879751 1413345945 /nfs/dbraw/zinc/34/59/45/1413345945.db2.gz XISYWVYWHHKFMV-ICSRJNTNSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001699964420 1413405378 /nfs/dbraw/zinc/40/53/78/1413405378.db2.gz ALYHDMOYOABXHV-ROUUACIJSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001700016772 1413461966 /nfs/dbraw/zinc/46/19/66/1413461966.db2.gz KXZWPRHKHDCIPZ-OALUTQOASA-N 2 0 335.536 3.138 10 30 EGEERP C=CCCC[N@@H+](C)CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001732549774 1428729183 /nfs/dbraw/zinc/72/91/83/1428729183.db2.gz WOTXILYZSNAGIX-UHFFFAOYSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001700199462 1413641780 /nfs/dbraw/zinc/64/17/80/1413641780.db2.gz WIVLMFXYIMUVLD-PMACEKPBSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001700314620 1413771773 /nfs/dbraw/zinc/77/17/73/1413771773.db2.gz VWOIVFWMMVRDFW-ROUUACIJSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001701010079 1414669192 /nfs/dbraw/zinc/66/91/92/1414669192.db2.gz ULZOCODXNOJARG-HKUYNNGSSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001707235872 1417256587 /nfs/dbraw/zinc/25/65/87/1417256587.db2.gz SFCPQWZJGJCYPM-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001707242821 1417262634 /nfs/dbraw/zinc/26/26/34/1417262634.db2.gz WYHGKNRJKWWTKX-WOJBJXKFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001712998035 1417550253 /nfs/dbraw/zinc/55/02/53/1417550253.db2.gz BOHFTBCCGVPMKF-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713132037 1417707000 /nfs/dbraw/zinc/70/70/00/1417707000.db2.gz RFEJJJGIMHBECN-GOSISDBHSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001713133912 1417711391 /nfs/dbraw/zinc/71/13/91/1417711391.db2.gz CMLLIEITYIQOJO-VQTJNVASSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001713262602 1417870920 /nfs/dbraw/zinc/87/09/20/1417870920.db2.gz OHMQJQDMRDTFHO-AZUAARDMSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001713511228 1418239148 /nfs/dbraw/zinc/23/91/48/1418239148.db2.gz PXURABYWTISZJL-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001713681215 1418432924 /nfs/dbraw/zinc/43/29/24/1418432924.db2.gz CKIMTAJDLXRQCN-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C(C)C ZINC001713689324 1418443057 /nfs/dbraw/zinc/44/30/57/1418443057.db2.gz BSALXOUOGRFNAW-RBUKOAKNSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001714146666 1418951652 /nfs/dbraw/zinc/95/16/52/1418951652.db2.gz ZPQZWSCWILZNIA-VQTJNVASSA-N 2 0 347.547 3.284 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001714331629 1419111640 /nfs/dbraw/zinc/11/16/40/1419111640.db2.gz APIVBHXCVCSQFA-FQEVSTJZSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001715203955 1419937282 /nfs/dbraw/zinc/93/72/82/1419937282.db2.gz CHCBRTIXOHPUMP-BJLQDIEVSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001715383220 1420079872 /nfs/dbraw/zinc/07/98/72/1420079872.db2.gz FYVWYEIPKFVRIF-OALUTQOASA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCCC1 ZINC001715398116 1420095993 /nfs/dbraw/zinc/09/59/93/1420095993.db2.gz BGJRGHIUUUXFSR-LJQANCHMSA-N 2 0 347.547 3.093 10 30 EGEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CCCCC1 ZINC001715400822 1420099830 /nfs/dbraw/zinc/09/98/30/1420099830.db2.gz DWKMZAMHCIGIGK-WOJBJXKFSA-N 2 0 349.563 3.480 10 30 EGEERP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001715485714 1420166432 /nfs/dbraw/zinc/16/64/32/1420166432.db2.gz YHIUYHIUKNUHCJ-QUCCMNQESA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001715545569 1420242838 /nfs/dbraw/zinc/24/28/38/1420242838.db2.gz QAWOCIPPNXHXKG-ICSRJNTNSA-N 2 0 349.563 3.364 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CC ZINC001716638729 1420795986 /nfs/dbraw/zinc/79/59/86/1420795986.db2.gz DPJFIJHEEIMXMM-RBUKOAKNSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)C1 ZINC001716704649 1420859123 /nfs/dbraw/zinc/85/91/23/1420859123.db2.gz YNTOSFYSISNXEP-WOJBJXKFSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001716731585 1420890000 /nfs/dbraw/zinc/89/00/00/1420890000.db2.gz KKPDRSLSKAJGJI-NRFANRHFSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001716769540 1420914153 /nfs/dbraw/zinc/91/41/53/1420914153.db2.gz PXIKQBMKMIIHJF-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001716811274 1420937374 /nfs/dbraw/zinc/93/73/74/1420937374.db2.gz UAESSQQHAIUPFK-UHFFFAOYSA-N 2 0 349.563 3.081 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001717127868 1421129366 /nfs/dbraw/zinc/12/93/66/1421129366.db2.gz FYQYMLRUQQBDOR-MOPGFXCFSA-N 2 0 347.547 3.138 10 30 EGEERP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001717447386 1421377060 /nfs/dbraw/zinc/37/70/60/1421377060.db2.gz KRGXJFRQZKWHHD-AFMYVXGZSA-N 2 0 347.547 3.329 10 30 EGEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001717557441 1421493703 /nfs/dbraw/zinc/49/37/03/1421493703.db2.gz OBJUOKXQTMKMAR-YLJYHZDGSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001717557435 1421493809 /nfs/dbraw/zinc/49/38/09/1421493809.db2.gz OBJUOKXQTMKMAR-XLIONFOSSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)C[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001717836079 1421649494 /nfs/dbraw/zinc/64/94/94/1421649494.db2.gz GEECCQNRVGEYKQ-CTNGQTDRSA-N 2 0 347.547 3.330 10 30 EGEERP C=CC[NH+]1CCC([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001717984009 1421756047 /nfs/dbraw/zinc/75/60/47/1421756047.db2.gz PNGCNBJOTDQRAG-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001717984515 1421756739 /nfs/dbraw/zinc/75/67/39/1421756739.db2.gz AXTUZVBDGVQXOK-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001723691801 1424531923 /nfs/dbraw/zinc/53/19/23/1424531923.db2.gz RXFOHOGVUSQINK-CTNGQTDRSA-N 2 0 349.563 3.223 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001724652447 1425014113 /nfs/dbraw/zinc/01/41/13/1425014113.db2.gz FPYDAUDSYSAKJR-MOPGFXCFSA-N 2 0 349.563 3.364 10 30 EGEERP C=CCC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001725611211 1426270512 /nfs/dbraw/zinc/27/05/12/1426270512.db2.gz WQXFRWZRMYLIPW-GHTZIAJQSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC1(C)C ZINC001725677262 1426363459 /nfs/dbraw/zinc/36/34/59/1426363459.db2.gz NQYGZNLEINDMQT-PKOBYXMFSA-N 2 0 349.563 3.288 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001731517595 1427505792 /nfs/dbraw/zinc/50/57/92/1427505792.db2.gz DBEZMSKUSBHRJA-UYAOXDASSA-N 2 0 347.547 3.188 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001733762625 1429979225 /nfs/dbraw/zinc/97/92/25/1429979225.db2.gz BURQGNOFVGNBAN-RTBURBONSA-N 2 0 337.552 3.269 10 30 EGEERP C=CCCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001733767074 1429990714 /nfs/dbraw/zinc/99/07/14/1429990714.db2.gz PAXFOWJZSCCDLS-IBGZPJMESA-N 2 0 335.536 3.189 10 30 EGEERP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001733805610 1430075979 /nfs/dbraw/zinc/07/59/79/1430075979.db2.gz UMJCZTMHQPBIAW-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC001733875069 1437701482 /nfs/dbraw/zinc/70/14/82/1437701482.db2.gz HDLIISQMDOYPMF-RTBURBONSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001734088978 1437873842 /nfs/dbraw/zinc/87/38/42/1437873842.db2.gz SZRYFGJSFWFTQL-PKOBYXMFSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(C)(C)C ZINC001734568798 1438163784 /nfs/dbraw/zinc/16/37/84/1438163784.db2.gz UATPGGQPWRNWDY-QGZVFWFLSA-N 2 0 337.552 3.195 10 30 EGEERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000397552539 267182314 /nfs/dbraw/zinc/18/23/14/267182314.db2.gz YRXQGSQTQAMYGY-SFHVURJKSA-N 2 0 349.478 3.236 10 30 EGEERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)cc1 ZINC000600716471 460576657 /nfs/dbraw/zinc/57/66/57/460576657.db2.gz GLCRDSKCGIANAP-YLJYHZDGSA-N 2 0 341.499 3.205 10 30 EGEERP C=C(C)C[NH+]1CCC(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000106034956 454674577 /nfs/dbraw/zinc/67/45/77/454674577.db2.gz ZUAHHZCCSAAEIT-UHFFFAOYSA-N 2 0 341.499 3.053 10 30 EGEERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000174252829 455373774 /nfs/dbraw/zinc/37/37/74/455373774.db2.gz UJCAVPDMALFKSY-SFHVURJKSA-N 2 0 340.515 3.159 10 30 EGEERP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1F ZINC000358567018 458080957 /nfs/dbraw/zinc/08/09/57/458080957.db2.gz ITJQTDZPHHCGCN-HNNXBMFYSA-N 2 0 341.430 3.489 10 30 EGEERP C=CCOc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000512428739 458784418 /nfs/dbraw/zinc/78/44/18/458784418.db2.gz YCDOMZZKRUZFTP-UHFFFAOYSA-N 2 0 344.499 3.186 10 30 EGEERP C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000518990876 458905677 /nfs/dbraw/zinc/90/56/77/458905677.db2.gz VMYXKIYNGMVZLQ-UHFFFAOYSA-N 2 0 337.423 3.429 10 30 EGEERP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000651663401 462294788 /nfs/dbraw/zinc/29/47/88/462294788.db2.gz KBXUWVKTNCGMSB-FXAWDEMLSA-N 2 0 328.500 3.478 10 30 EGEERP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000651727894 462317438 /nfs/dbraw/zinc/31/74/38/462317438.db2.gz DJZGTCXBFMISAZ-FXAWDEMLSA-N 2 0 328.500 3.478 10 30 EGEERP N#Cc1cncc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000721577789 1298332300 /nfs/dbraw/zinc/33/23/00/1298332300.db2.gz AJAUURUHWNCMCH-UHFFFAOYSA-N 2 0 346.478 3.441 10 30 EGEERP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccc1OC ZINC000925620477 1325235389 /nfs/dbraw/zinc/23/53/89/1325235389.db2.gz GZRLUVYDBVEGCO-BRWVUGGUSA-N 2 0 345.487 3.372 10 30 EGEERP C=C(C)C[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926863334 1327745348 /nfs/dbraw/zinc/74/53/48/1327745348.db2.gz KMZAKTZEVKKRAH-VKEMMKHGSA-N 2 0 328.500 3.489 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076272 1331321829 /nfs/dbraw/zinc/32/18/29/1331321829.db2.gz VCGCCUWWUACIOB-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001323812361 1387463213 /nfs/dbraw/zinc/46/32/13/1387463213.db2.gz KSRYBQNETIBNRW-NRFANRHFSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001323813254 1387465178 /nfs/dbraw/zinc/46/51/78/1387465178.db2.gz QEDVJXOJJGZZGF-OAQYLSRUSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001325476730 1387987071 /nfs/dbraw/zinc/98/70/71/1387987071.db2.gz QLWQMRFAPCCBRE-DLBZAZTESA-N 2 0 347.503 3.138 10 30 EGEERP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001326480389 1388209320 /nfs/dbraw/zinc/20/93/20/1388209320.db2.gz MNNCDANHQOFTSZ-ZWKOTPCHSA-N 2 0 343.515 3.404 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001326490694 1388215418 /nfs/dbraw/zinc/21/54/18/1388215418.db2.gz SQAWOGMWKNJANC-PKOBYXMFSA-N 2 0 343.515 3.261 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001266240825 1377243381 /nfs/dbraw/zinc/24/33/81/1377243381.db2.gz DKGDTNZSHWYEOK-IBGZPJMESA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001266251839 1377249324 /nfs/dbraw/zinc/24/93/24/1377249324.db2.gz HIMLCISSXXNDRD-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CC[N@@H+](C)C1CCCCC1)CC2 ZINC001270851569 1377615816 /nfs/dbraw/zinc/61/58/16/1377615816.db2.gz OEQZBKRSZXJXQA-UHFFFAOYSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001327478185 1388531132 /nfs/dbraw/zinc/53/11/32/1388531132.db2.gz GGZOXYCKHXKUNF-UHFFFAOYSA-N 2 0 343.515 3.299 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001279574757 1378312596 /nfs/dbraw/zinc/31/25/96/1378312596.db2.gz BCLBTLVSFMKHER-UFYCRDLUSA-N 2 0 347.547 3.282 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001284346940 1379744734 /nfs/dbraw/zinc/74/47/34/1379744734.db2.gz CJWTUZMSDBOYLB-RBUKOAKNSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001328797073 1388868174 /nfs/dbraw/zinc/86/81/74/1388868174.db2.gz LOEDAOWTKBQOLN-PMACEKPBSA-N 2 0 349.563 3.386 10 30 EGEERP Clc1cccc(C#CC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC001307875240 1384048348 /nfs/dbraw/zinc/04/83/48/1384048348.db2.gz IRZCQNOTAIQRDT-UHFFFAOYSA-N 2 0 325.843 3.299 10 30 EGEERP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001316996953 1384753870 /nfs/dbraw/zinc/75/38/70/1384753870.db2.gz AZKOFOFPZJFRQK-QRVBRYPASA-N 2 0 349.563 3.268 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001317445884 1385146303 /nfs/dbraw/zinc/14/63/03/1385146303.db2.gz MKZSNKIYUCIGBR-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001317725864 1385425380 /nfs/dbraw/zinc/42/53/80/1385425380.db2.gz XSTSBEZZZLAIDY-UXHICEINSA-N 2 0 343.515 3.273 10 30 EGEERP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001317883189 1385561166 /nfs/dbraw/zinc/56/11/66/1385561166.db2.gz XTMWOONSGFYTOT-MJGOQNOKSA-N 2 0 337.552 3.098 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001318978600 1385906191 /nfs/dbraw/zinc/90/61/91/1385906191.db2.gz DXOGHSIYCHHFEJ-MXVIHJGJSA-N 2 0 347.547 3.092 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001322231657 1387112776 /nfs/dbraw/zinc/11/27/76/1387112776.db2.gz UHITXLBILACEBN-MJGOQNOKSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480077763 1392567506 /nfs/dbraw/zinc/56/75/06/1392567506.db2.gz PKSDINFNOQGNPS-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001480734152 1392899222 /nfs/dbraw/zinc/89/92/22/1392899222.db2.gz ZSLQCZTZSOEVPY-PMACEKPBSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001698901899 1406635070 /nfs/dbraw/zinc/63/50/70/1406635070.db2.gz YMWCQVLPCLXLNM-HNAYVOBHSA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481461395 1394317022 /nfs/dbraw/zinc/31/70/22/1394317022.db2.gz BXDGFBQWGRWDBR-PMACEKPBSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001491270888 1394498993 /nfs/dbraw/zinc/49/89/93/1394498993.db2.gz JGRAYDACSQSOMT-UXHICEINSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH+]1CCC(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001482043066 1394704430 /nfs/dbraw/zinc/70/44/30/1394704430.db2.gz GYLLAKIPXOZGAL-UHFFFAOYSA-N 2 0 340.471 3.051 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001482055857 1394717725 /nfs/dbraw/zinc/71/77/25/1394717725.db2.gz JUDTWVOBLHWXRO-UYAOXDASSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001482070919 1394733151 /nfs/dbraw/zinc/73/31/51/1394733151.db2.gz YACDFEJLSUJSFW-MOPGFXCFSA-N 2 0 347.547 3.140 10 30 EGEERP C=CC[NH2+]C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CCCCC1 ZINC001482406393 1394969789 /nfs/dbraw/zinc/96/97/89/1394969789.db2.gz PTENSBOSSYTVJJ-LJQANCHMSA-N 2 0 349.563 3.480 10 30 EGEERP C=CC[NH2+]C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CCCCC1 ZINC001482410896 1394975352 /nfs/dbraw/zinc/97/53/52/1394975352.db2.gz RDMBCXBQCHDBEU-HXUWFJFHSA-N 2 0 343.515 3.203 10 30 EGEERP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482460601 1395019109 /nfs/dbraw/zinc/01/91/09/1395019109.db2.gz FSRCNHHKEZMOON-HXUWFJFHSA-N 2 0 343.515 3.299 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001482481659 1395035766 /nfs/dbraw/zinc/03/57/66/1395035766.db2.gz KBQFJSJAZHEHRA-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001484021970 1395194013 /nfs/dbraw/zinc/19/40/13/1395194013.db2.gz GVLZNFWMXZKSAT-CTNGQTDRSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001484716250 1395477235 /nfs/dbraw/zinc/47/72/35/1395477235.db2.gz GOJOUNHLTFWYBI-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001485570865 1396035767 /nfs/dbraw/zinc/03/57/67/1396035767.db2.gz UNQXGQSXQSMFQA-RBUKOAKNSA-N 2 0 349.563 3.125 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001502725433 1396221265 /nfs/dbraw/zinc/22/12/65/1396221265.db2.gz VULZONSBIUMIHX-MOPGFXCFSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CCC)CC2 ZINC001495974661 1396584558 /nfs/dbraw/zinc/58/45/58/1396584558.db2.gz YDGDDTUIXIQTMF-RTBURBONSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001496350625 1396660662 /nfs/dbraw/zinc/66/06/62/1396660662.db2.gz ISIZKASIGBRYED-WMZOPIPTSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001699033483 1406871776 /nfs/dbraw/zinc/87/17/76/1406871776.db2.gz ZUPIHIZLKXUVOL-UXHICEINSA-N 2 0 343.515 3.203 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)CC(C)(C)C1 ZINC001689365690 1403706343 /nfs/dbraw/zinc/70/63/43/1403706343.db2.gz LAQROXLEAWWKNG-QZTJIDSGSA-N 2 0 337.552 3.290 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001690030935 1404269780 /nfs/dbraw/zinc/26/97/80/1404269780.db2.gz PLZWTSKAIJSOEZ-ICSRJNTNSA-N 2 0 349.563 3.384 10 30 EGEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001690473485 1404596858 /nfs/dbraw/zinc/59/68/58/1404596858.db2.gz WROFRYNXGLVDPR-GOSISDBHSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001690475938 1404598101 /nfs/dbraw/zinc/59/81/01/1404598101.db2.gz JMTVOLSVNYHRIY-MSOLQXFVSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001690902348 1404810165 /nfs/dbraw/zinc/81/01/65/1404810165.db2.gz SUZLOVUXOFELFQ-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001691671636 1405406551 /nfs/dbraw/zinc/40/65/51/1405406551.db2.gz KVJAMDHPSDQBAF-ICSRJNTNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001691679771 1405414866 /nfs/dbraw/zinc/41/48/66/1405414866.db2.gz YDBRSTHAUNZSJY-SFHVURJKSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001691690337 1405424994 /nfs/dbraw/zinc/42/49/94/1405424994.db2.gz RIFVHULIVNSSBG-IBGZPJMESA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691874454 1405597760 /nfs/dbraw/zinc/59/77/60/1405597760.db2.gz ADVSHDSBQKXYDJ-IPMKNSEASA-N 2 0 347.547 3.092 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001692101898 1405772011 /nfs/dbraw/zinc/77/20/11/1405772011.db2.gz SPVYYGSKYHCPNR-UXHICEINSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001732288527 1428515471 /nfs/dbraw/zinc/51/54/71/1428515471.db2.gz NIDVRHNKFUZPBE-IBGZPJMESA-N 2 0 335.536 3.047 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001732525641 1428645090 /nfs/dbraw/zinc/64/50/90/1428645090.db2.gz ADGJVHGVJYUDCJ-XLIONFOSSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)C1 ZINC001699677566 1413072297 /nfs/dbraw/zinc/07/22/97/1413072297.db2.gz VSHXACGDNNNKHS-IBGZPJMESA-N 2 0 349.563 3.101 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001699858559 1413290953 /nfs/dbraw/zinc/29/09/53/1413290953.db2.gz LKNFPXVOSQEIAF-ICSRJNTNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+](C)CCC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001732551119 1428734588 /nfs/dbraw/zinc/73/45/88/1428734588.db2.gz SDQSLBSSQAORMT-KDURUIRLSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001700197297 1413638756 /nfs/dbraw/zinc/63/87/56/1413638756.db2.gz JWFBMEQKZAKFKX-UXHICEINSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001700320549 1413786065 /nfs/dbraw/zinc/78/60/65/1413786065.db2.gz OXKUJZIJJWYTHM-YLJYHZDGSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001700692580 1414345440 /nfs/dbraw/zinc/34/54/40/1414345440.db2.gz JIXOBKLJZGGMSX-IEBWSBKVSA-N 2 0 335.536 3.137 10 30 EGEERP C=CC[NH+]1CCC(N(CCC)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001713101742 1417655314 /nfs/dbraw/zinc/65/53/14/1417655314.db2.gz ZFZATTGGOPOWEL-SFHVURJKSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001713218445 1417798180 /nfs/dbraw/zinc/79/81/80/1417798180.db2.gz VGNMONAOMSKYMF-UFYCRDLUSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713242930 1417828837 /nfs/dbraw/zinc/82/88/37/1417828837.db2.gz NJQHHKUVESTAAT-LJQANCHMSA-N 2 0 343.515 3.156 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001713269436 1417879452 /nfs/dbraw/zinc/87/94/52/1417879452.db2.gz DFIGHALISVBODX-RTBURBONSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001713767148 1418581333 /nfs/dbraw/zinc/58/13/33/1418581333.db2.gz ZSOMHYDFSSOISO-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(N(CCC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001713858535 1418655320 /nfs/dbraw/zinc/65/53/20/1418655320.db2.gz RVOQMMXSLGPWGJ-GOSISDBHSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001713897401 1418696031 /nfs/dbraw/zinc/69/60/31/1418696031.db2.gz JWHVIURNRUEDNV-SJORKVTESA-N 2 0 343.943 3.030 10 30 EGEERP C=CCCC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001714153639 1418961020 /nfs/dbraw/zinc/96/10/20/1418961020.db2.gz KGPCIBALACXPDQ-MSOLQXFVSA-N 2 0 337.552 3.147 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001714158289 1418969609 /nfs/dbraw/zinc/96/96/09/1418969609.db2.gz YHSYFDQJIBXMMT-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001714452632 1419185501 /nfs/dbraw/zinc/18/55/01/1419185501.db2.gz CELVOCCADADISZ-RBUKOAKNSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001714810179 1419521069 /nfs/dbraw/zinc/52/10/69/1419521069.db2.gz FJNGGNJIYKSFCD-OAHLLOKOSA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001714915390 1419665608 /nfs/dbraw/zinc/66/56/08/1419665608.db2.gz UAVQRNMIUVTMMP-HXUWFJFHSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001715249114 1419974809 /nfs/dbraw/zinc/97/48/09/1419974809.db2.gz TXAGJJLUFVYNCO-MJGOQNOKSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001715455282 1420136885 /nfs/dbraw/zinc/13/68/85/1420136885.db2.gz IZASQCIBGBGLBI-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001715464744 1420143715 /nfs/dbraw/zinc/14/37/15/1420143715.db2.gz WHMDURWWQUPYHA-IRXDYDNUSA-N 2 0 347.503 3.138 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001716516073 1420745698 /nfs/dbraw/zinc/74/56/98/1420745698.db2.gz MWRWJTPUWIUPHM-QUCCMNQESA-N 2 0 349.563 3.482 10 30 EGEERP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001716715047 1420870701 /nfs/dbraw/zinc/87/07/01/1420870701.db2.gz JSKQMNWLTCFCLN-QZTJIDSGSA-N 2 0 347.547 3.138 10 30 EGEERP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001716724370 1420882687 /nfs/dbraw/zinc/88/26/87/1420882687.db2.gz DJOCTOVDHJMFPQ-FPOVZHCZSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001716903207 1421036251 /nfs/dbraw/zinc/03/62/51/1421036251.db2.gz ZQFODATVGFLEMN-AZUAARDMSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001717338948 1421276780 /nfs/dbraw/zinc/27/67/80/1421276780.db2.gz GKSGGTLFMXEJHW-YLJYHZDGSA-N 2 0 343.515 3.297 10 30 EGEERP C=C(C)CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001717344108 1421283350 /nfs/dbraw/zinc/28/33/50/1421283350.db2.gz JBOJLJNCMPITKS-FQEVSTJZSA-N 2 0 343.515 3.010 10 30 EGEERP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001717449848 1421379750 /nfs/dbraw/zinc/37/97/50/1421379750.db2.gz QHEIVKMVSKVBEP-SOAGJPPSSA-N 2 0 349.563 3.432 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC001717895910 1421693664 /nfs/dbraw/zinc/69/36/64/1421693664.db2.gz WENNOSVTQMOPSX-QGZVFWFLSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCC[NH2+]C[C@@H](NC(=O)c1sccc1C[NH+](C)C)C(C)(C)C ZINC001717960721 1421732490 /nfs/dbraw/zinc/73/24/90/1421732490.db2.gz TVMHLDCPYHZMBT-OAHLLOKOSA-N 2 0 337.533 3.120 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C(C)(C)C ZINC001717964373 1421735425 /nfs/dbraw/zinc/73/54/25/1421735425.db2.gz SYCSBDZJWIWBIC-SFHVURJKSA-N 2 0 337.552 3.338 10 30 EGEERP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001733449006 1429660058 /nfs/dbraw/zinc/66/00/58/1429660058.db2.gz DVNXUOFOWGTFFX-SFHVURJKSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001723061512 1424294947 /nfs/dbraw/zinc/29/49/47/1424294947.db2.gz XZEFNAZWSYEQSQ-OAHLLOKOSA-N 2 0 328.460 3.049 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001723856909 1424586876 /nfs/dbraw/zinc/58/68/76/1424586876.db2.gz BSSGQGKZBWGCAO-PKOBYXMFSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001724225230 1424743047 /nfs/dbraw/zinc/74/30/47/1424743047.db2.gz OSPLHDWHMVTJQK-FQEVSTJZSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001724342632 1424839219 /nfs/dbraw/zinc/83/92/19/1424839219.db2.gz BJOJVOPZYBQHPL-PZJWPPBQSA-N 2 0 349.563 3.291 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001724657578 1425024028 /nfs/dbraw/zinc/02/40/28/1425024028.db2.gz ZPLWOZIHTINDEW-YSTOQKLRSA-N 2 0 349.563 3.362 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001724707573 1425063871 /nfs/dbraw/zinc/06/38/71/1425063871.db2.gz LYVDTIJLHLXVKM-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001724979098 1425380598 /nfs/dbraw/zinc/38/05/98/1425380598.db2.gz KRGDAYNKYVOOAK-RBUKOAKNSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001725133748 1425605949 /nfs/dbraw/zinc/60/59/49/1425605949.db2.gz UMHCECRCJSJMIQ-ACBHZAAOSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001725210055 1425769556 /nfs/dbraw/zinc/76/95/56/1425769556.db2.gz DHCHSLLFQDUJDM-PMACEKPBSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001725423842 1426079256 /nfs/dbraw/zinc/07/92/56/1426079256.db2.gz BNSSSEVALYXHKY-GOSISDBHSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001725642660 1426321811 /nfs/dbraw/zinc/32/18/11/1426321811.db2.gz WKTNMUXVZLBTHO-MSOLQXFVSA-N 2 0 349.563 3.480 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)(C)C ZINC001725756487 1426435798 /nfs/dbraw/zinc/43/57/98/1426435798.db2.gz JYUWGXHDKUWSCJ-QZTJIDSGSA-N 2 0 337.552 3.194 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001731350963 1427289414 /nfs/dbraw/zinc/28/94/14/1427289414.db2.gz PZRBHUWJEWJTHG-IEBWSBKVSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001731377947 1427312779 /nfs/dbraw/zinc/31/27/79/1427312779.db2.gz OLXWIMBSLRRNCL-SFHVURJKSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001731387282 1427334718 /nfs/dbraw/zinc/33/47/18/1427334718.db2.gz LHSDFQKFWOHGGG-UHFFFAOYSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001731502833 1427485020 /nfs/dbraw/zinc/48/50/20/1427485020.db2.gz KIRTZEACVHRRNN-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001731542146 1427552658 /nfs/dbraw/zinc/55/26/58/1427552658.db2.gz DXRWZPBJHLQIHO-RBUKOAKNSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001734104501 1437890241 /nfs/dbraw/zinc/89/02/41/1437890241.db2.gz VXMLESLLKXEFFE-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1 ZINC000600716467 460576154 /nfs/dbraw/zinc/57/61/54/460576154.db2.gz GLCRDSKCGIANAP-PXNSSMCTSA-N 2 0 341.499 3.205 10 30 EGEERP CC1CC[NH+](Cc2cccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)c2)CC1 ZINC000600723939 460580548 /nfs/dbraw/zinc/58/05/48/460580548.db2.gz QOHITRSYGASGGE-FQEVSTJZSA-N 2 0 341.499 3.063 10 30 EGEERP C=C(C)C[NH+]1CCC(N[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422974208 458429586 /nfs/dbraw/zinc/42/95/86/458429586.db2.gz DLQOBFXNDGIUQW-SFTDATJTSA-N 2 0 343.515 3.118 10 30 EGEERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(C#N)cc1 ZINC000594710521 459136286 /nfs/dbraw/zinc/13/62/86/459136286.db2.gz LNXSSSZXHMGCOC-MRXNPFEDSA-N 2 0 327.472 3.100 10 30 EGEERP CC(C)C[N@H+](C)CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000593646751 459939887 /nfs/dbraw/zinc/93/98/87/459939887.db2.gz QRWPKPXWKKRRFN-UHFFFAOYSA-N 2 0 328.504 3.095 10 30 EGEERP CN(C(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000252570765 1296461601 /nfs/dbraw/zinc/46/16/01/1296461601.db2.gz XCJFIBMJSUDHRY-WMLDXEAASA-N 2 0 334.895 3.132 10 30 EGEERP COc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000708525906 1298239275 /nfs/dbraw/zinc/23/92/75/1298239275.db2.gz CNWMHUWGIYRHAB-UTKZUKDTSA-N 2 0 349.478 3.425 10 30 EGEERP C=CCC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCO1 ZINC000883199872 1302300684 /nfs/dbraw/zinc/30/06/84/1302300684.db2.gz RWXXAVHRHZXTAR-WOJBJXKFSA-N 2 0 329.488 3.401 10 30 EGEERP C#Cc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000930117492 1328789930 /nfs/dbraw/zinc/78/99/30/1328789930.db2.gz OKMQNVNTRLLYAI-UHFFFAOYSA-N 2 0 349.478 3.190 10 30 EGEERP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000921622692 1322365424 /nfs/dbraw/zinc/36/54/24/1322365424.db2.gz GMIYZRRKPKWHRH-UHFFFAOYSA-N 2 0 337.467 3.405 10 30 EGEERP Cc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1C#N ZINC000925839021 1325322934 /nfs/dbraw/zinc/32/29/34/1325322934.db2.gz OTWIPYIWTXHOFL-PZJWPPBQSA-N 2 0 333.435 3.212 10 30 EGEERP COc1cc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)ccc1C#N ZINC000865774105 1329737015 /nfs/dbraw/zinc/73/70/15/1329737015.db2.gz FDYOXJVDJCMGMP-UHFFFAOYSA-N 2 0 349.478 3.320 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940853465 1331221163 /nfs/dbraw/zinc/22/11/63/1331221163.db2.gz RMPVPUCLBLQDSR-SFHVURJKSA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1CC ZINC001323152420 1387303373 /nfs/dbraw/zinc/30/33/73/1387303373.db2.gz VNHKSFCYZMGKOW-MOPGFXCFSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001323871178 1387483414 /nfs/dbraw/zinc/48/34/14/1387483414.db2.gz ARYIOGYXIVIWHP-PZJWPPBQSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001323871179 1387483788 /nfs/dbraw/zinc/48/37/88/1387483788.db2.gz ARYIOGYXIVIWHP-TZIWHRDSSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001324505282 1387654678 /nfs/dbraw/zinc/65/46/78/1387654678.db2.gz IUGWNTCWFICOLQ-OALUTQOASA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001325899325 1388073045 /nfs/dbraw/zinc/07/30/45/1388073045.db2.gz OZIISSSGYWHQID-OALUTQOASA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001325919283 1388083173 /nfs/dbraw/zinc/08/31/73/1388083173.db2.gz HSFKJACNKZDWSG-VAMGGRTRSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001325919280 1388083218 /nfs/dbraw/zinc/08/32/18/1388083218.db2.gz HSFKJACNKZDWSG-SLFFLAALSA-N 2 0 347.547 3.282 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001327309956 1388495160 /nfs/dbraw/zinc/49/51/60/1388495160.db2.gz ZWWAQIPTXJZKHZ-UXHICEINSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001267604129 1377463246 /nfs/dbraw/zinc/46/32/46/1377463246.db2.gz KTZLCKSDWCLNIC-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001282675073 1378545627 /nfs/dbraw/zinc/54/56/27/1378545627.db2.gz JPLVRNGHDONVBI-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001282727153 1378580723 /nfs/dbraw/zinc/58/07/23/1378580723.db2.gz ZPPMDVDGQZXKCM-QZTJIDSGSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001282977879 1378695109 /nfs/dbraw/zinc/69/51/09/1378695109.db2.gz PHMCBUMHVIOJAP-UHFFFAOYSA-N 2 0 347.547 3.143 10 30 EGEERP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001284099439 1379468967 /nfs/dbraw/zinc/46/89/67/1379468967.db2.gz AUNPYBAEOHAMHR-HSALFYBXSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001284346943 1379745181 /nfs/dbraw/zinc/74/51/81/1379745181.db2.gz CJWTUZMSDBOYLB-RTBURBONSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C(C)(C)C ZINC001284614776 1380013714 /nfs/dbraw/zinc/01/37/14/1380013714.db2.gz XYGZWXHSYMWVMB-LJQANCHMSA-N 2 0 345.531 3.101 10 30 EGEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001328573051 1388777435 /nfs/dbraw/zinc/77/74/35/1388777435.db2.gz CYINKZYIFYKKDG-UHFFFAOYSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001328588897 1388784767 /nfs/dbraw/zinc/78/47/67/1388784767.db2.gz OYIUCYPSLWYOQO-UYAOXDASSA-N 2 0 349.563 3.243 10 30 EGEERP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)CC(C)(C)C1 ZINC001316811855 1384610204 /nfs/dbraw/zinc/61/02/04/1384610204.db2.gz PMOZUXUVGOURQH-LJQANCHMSA-N 2 0 349.563 3.129 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001316877398 1384662039 /nfs/dbraw/zinc/66/20/39/1384662039.db2.gz CVSSEMBWPRUXAP-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001316944226 1384716583 /nfs/dbraw/zinc/71/65/83/1384716583.db2.gz KPTACAPNIZIBCJ-RTBURBONSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001316951563 1384726387 /nfs/dbraw/zinc/72/63/87/1384726387.db2.gz AWLXXIUTUCJJIW-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+]1CCC(N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001317006205 1384768232 /nfs/dbraw/zinc/76/82/32/1384768232.db2.gz QNYPEVKSBUZLKM-UHFFFAOYSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001317050032 1384826772 /nfs/dbraw/zinc/82/67/72/1384826772.db2.gz PKLDRAHGZYMDEH-WTGUMLROSA-N 2 0 347.547 3.281 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001317688331 1385400216 /nfs/dbraw/zinc/40/02/16/1385400216.db2.gz WOFNCYZMVOBJLF-IEBWSBKVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317804602 1385501473 /nfs/dbraw/zinc/50/14/73/1385501473.db2.gz CSFNHXHKBFUIOQ-RBUKOAKNSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317955107 1385585544 /nfs/dbraw/zinc/58/55/44/1385585544.db2.gz DVZPIUKTKAYHNT-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001698627797 1406269977 /nfs/dbraw/zinc/26/99/77/1406269977.db2.gz VYNQXTNCCCRWJA-MSOLQXFVSA-N 2 0 335.536 3.233 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001319694001 1386254833 /nfs/dbraw/zinc/25/48/33/1386254833.db2.gz AAFJMJUZEWDSSI-RBUKOAKNSA-N 2 0 349.563 3.412 10 30 EGEERP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001329256637 1389038264 /nfs/dbraw/zinc/03/82/64/1389038264.db2.gz IXFYZARBOGIWGI-MHJFOBGBSA-N 2 0 349.563 3.432 10 30 EGEERP C=CC[C@]1(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CCC[NH2+]1 ZINC001337086706 1389250683 /nfs/dbraw/zinc/25/06/83/1389250683.db2.gz HTTYGHXKPXGNLR-HXUWFJFHSA-N 2 0 327.472 3.309 10 30 EGEERP C=CCCC[NH+]1CCC(C2(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC001333191642 1390264578 /nfs/dbraw/zinc/26/45/78/1390264578.db2.gz JUPLMGKWIYOMPO-QZTJIDSGSA-N 2 0 347.547 3.186 10 30 EGEERP C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001479528708 1392271145 /nfs/dbraw/zinc/27/11/45/1392271145.db2.gz PHVCTFFCGREQLU-FXAWDEMLSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480109934 1392588672 /nfs/dbraw/zinc/58/86/72/1392588672.db2.gz TVYBNYXQCOOGSM-SFHVURJKSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480266205 1392650463 /nfs/dbraw/zinc/65/04/63/1392650463.db2.gz QXCOSGJRZVVBEV-LJQANCHMSA-N 2 0 343.515 3.156 10 30 EGEERP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001480324413 1392684144 /nfs/dbraw/zinc/68/41/44/1392684144.db2.gz QNYTZGWHXAYHAR-LJQANCHMSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001480701316 1392864677 /nfs/dbraw/zinc/86/46/77/1392864677.db2.gz KKHGNQOGFUGYPC-RTBURBONSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001481335411 1393166113 /nfs/dbraw/zinc/16/61/13/1393166113.db2.gz CANARIDDKAFQKW-ROUUACIJSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001490611338 1394281477 /nfs/dbraw/zinc/28/14/77/1394281477.db2.gz RSNUOPHRLUTJKX-RBUKOAKNSA-N 2 0 347.547 3.044 10 30 EGEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001482452572 1395011021 /nfs/dbraw/zinc/01/10/21/1395011021.db2.gz FIYIYCXOBHZHMA-IBGZPJMESA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[N@@H+](C)CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001482508006 1395062061 /nfs/dbraw/zinc/06/20/61/1395062061.db2.gz VRCFHWXXYMFHAM-UHFFFAOYSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001484176689 1395323439 /nfs/dbraw/zinc/32/34/39/1395323439.db2.gz ZVJSMJAYZMLFQI-HXUWFJFHSA-N 2 0 335.536 3.047 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001485085480 1395656459 /nfs/dbraw/zinc/65/64/59/1395656459.db2.gz TYZVSUNUXGGVKD-HXUWFJFHSA-N 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C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC001691650092 1405383294 /nfs/dbraw/zinc/38/32/94/1405383294.db2.gz WMEMQFDEGFQQAA-LJQANCHMSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001691692499 1405426928 /nfs/dbraw/zinc/42/69/28/1405426928.db2.gz PQRHCADIOHACTB-AZUAARDMSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001691845183 1405558413 /nfs/dbraw/zinc/55/84/13/1405558413.db2.gz XZXXPGQCVODVMZ-QRVBRYPASA-N 2 0 335.536 3.044 10 30 EGEERP 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 1405649425 /nfs/dbraw/zinc/64/94/25/1405649425.db2.gz USYLCMQMPBNUDO-HOJAQTOUSA-N 2 0 349.563 3.290 10 30 EGEERP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001692012775 1405732620 /nfs/dbraw/zinc/73/26/20/1405732620.db2.gz KYVRDCOTLRUUSM-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC(C)(C)C1 ZINC001692276094 1405909922 /nfs/dbraw/zinc/90/99/22/1405909922.db2.gz VIWFFOPVCGBTDD-KRWDZBQOSA-N 2 0 349.563 3.432 10 30 EGEERP CCCCCCC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001692339819 1405959325 /nfs/dbraw/zinc/95/93/25/1405959325.db2.gz AJBKVIKMSKEUKN-RBUKOAKNSA-N 2 0 335.536 3.022 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001732158203 1428401860 /nfs/dbraw/zinc/40/18/60/1428401860.db2.gz BEBFAQSOUJAYKT-ROUUACIJSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001732277549 1428510850 /nfs/dbraw/zinc/51/08/50/1428510850.db2.gz CXIZAZPGFPSSNW-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699181880 1412557170 /nfs/dbraw/zinc/55/71/70/1412557170.db2.gz QGDOZGUTEFBSRZ-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CCCC1 ZINC001699789044 1413195257 /nfs/dbraw/zinc/19/52/57/1413195257.db2.gz ISQLMMBGQVBQPF-GOSISDBHSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001699981179 1413427039 /nfs/dbraw/zinc/42/70/39/1413427039.db2.gz DMHDTNJLKRATCB-LWYYNNOASA-N 2 0 349.563 3.195 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001700178176 1413588472 /nfs/dbraw/zinc/58/84/72/1413588472.db2.gz HDPIVZGWKCCPPQ-SLFFLAALSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001700199321 1413642205 /nfs/dbraw/zinc/64/22/05/1413642205.db2.gz VGOUFHLDQQGADR-WOJBJXKFSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001700200332 1413642962 /nfs/dbraw/zinc/64/29/62/1413642962.db2.gz GBBKOTFYTJDZPH-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCCCC[NH2+]C1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001700285231 1413731973 /nfs/dbraw/zinc/73/19/73/1413731973.db2.gz KGIFETXCKBHHIR-UHFFFAOYSA-N 2 0 349.563 3.435 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001700293989 1413752117 /nfs/dbraw/zinc/75/21/17/1413752117.db2.gz MGHZQTQJWKKDHW-GOSISDBHSA-N 2 0 337.552 3.269 10 30 EGEERP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001700530925 1414197080 /nfs/dbraw/zinc/19/70/80/1414197080.db2.gz IJNSHAYNOFKIBM-IBGZPJMESA-N 2 0 335.536 3.189 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001700621213 1414290952 /nfs/dbraw/zinc/29/09/52/1414290952.db2.gz NJZRKHWNWFRVSQ-LJQANCHMSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[NH+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001700697991 1414357048 /nfs/dbraw/zinc/35/70/48/1414357048.db2.gz ONJCKUHXBTZKKU-HXUWFJFHSA-N 2 0 343.515 3.178 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001700926578 1414579975 /nfs/dbraw/zinc/57/99/75/1414579975.db2.gz NJORZFLSYDKERG-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001701033042 1414697351 /nfs/dbraw/zinc/69/73/51/1414697351.db2.gz WSOXOSKOGRVRLW-SFHVURJKSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001732893807 1429031882 /nfs/dbraw/zinc/03/18/82/1429031882.db2.gz WUQBMMGDLJWALY-RURPWVQCSA-N 2 0 333.520 3.012 10 30 EGEERP C=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001707138003 1417217818 /nfs/dbraw/zinc/21/78/18/1417217818.db2.gz GFSCINBIDABRHQ-OALUTQOASA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001707170588 1417228212 /nfs/dbraw/zinc/22/82/12/1417228212.db2.gz ZGMCAYIXWRLRLO-GUDVDZBRSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001707185801 1417234862 /nfs/dbraw/zinc/23/48/62/1417234862.db2.gz LIWLFVGVHBRBTC-RLLQIKCJSA-N 2 0 347.547 3.042 10 30 EGEERP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001712999063 1417551345 /nfs/dbraw/zinc/55/13/45/1417551345.db2.gz JPNOJVJOIBGBOW-PKOBYXMFSA-N 2 0 335.536 3.186 10 30 EGEERP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001713435223 1418065202 /nfs/dbraw/zinc/06/52/02/1418065202.db2.gz YPEQBOGQEUAPPX-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001713592001 1418386107 /nfs/dbraw/zinc/38/61/07/1418386107.db2.gz FYNCYNBXSBWXIY-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713720222 1418491199 /nfs/dbraw/zinc/49/11/99/1418491199.db2.gz QTIHQJPYAFTNFF-MOPGFXCFSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713752298 1418553928 /nfs/dbraw/zinc/55/39/28/1418553928.db2.gz MDHVIZGBXKNOCR-MOPGFXCFSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001713848071 1418643869 /nfs/dbraw/zinc/64/38/69/1418643869.db2.gz RMMJLGZLOSGJAT-ZWKOTPCHSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714034220 1418823140 /nfs/dbraw/zinc/82/31/40/1418823140.db2.gz NWLHUFOGGMIGES-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001714158288 1418969822 /nfs/dbraw/zinc/96/98/22/1418969822.db2.gz YHSYFDQJIBXMMT-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001714266574 1419048003 /nfs/dbraw/zinc/04/80/03/1419048003.db2.gz ZGGCCXOKUPKSBB-IBGZPJMESA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001714283823 1419063601 /nfs/dbraw/zinc/06/36/01/1419063601.db2.gz MWTXURQSWJATBJ-UHFFFAOYSA-N 2 0 337.552 3.149 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001714327055 1419105947 /nfs/dbraw/zinc/10/59/47/1419105947.db2.gz IMAXTJNSDSGZCW-UXHICEINSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001714330450 1419109525 /nfs/dbraw/zinc/10/95/25/1419109525.db2.gz LPBOGOCNIMSTRB-WOJBJXKFSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001714400614 1419143744 /nfs/dbraw/zinc/14/37/44/1419143744.db2.gz BOYAZZZVOMMFKZ-IAGOWNOFSA-N 2 0 349.544 3.407 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001714452630 1419185233 /nfs/dbraw/zinc/18/52/33/1419185233.db2.gz CELVOCCADADISZ-OALUTQOASA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCC1 ZINC001714500361 1419226382 /nfs/dbraw/zinc/22/63/82/1419226382.db2.gz MFPRBVICBPPADU-QGZVFWFLSA-N 2 0 335.536 3.234 10 30 EGEERP C=C(C)C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001714834897 1419546887 /nfs/dbraw/zinc/54/68/87/1419546887.db2.gz DKVZZCMTDDEYBL-LJQANCHMSA-N 2 0 343.515 3.274 10 30 EGEERP C=CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001714915903 1419667091 /nfs/dbraw/zinc/66/70/91/1419667091.db2.gz XSVSVXDGGULRKC-FQEVSTJZSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001715094442 1419835011 /nfs/dbraw/zinc/83/50/11/1419835011.db2.gz PEQUALZKYAAMBT-YLJYHZDGSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)C[NH2+]C1(CNC(=O)c2sccc2C[NH+](C)C)CCCC1 ZINC001715299569 1420006576 /nfs/dbraw/zinc/00/65/76/1420006576.db2.gz OGSDSLLSTWJTDS-UHFFFAOYSA-N 2 0 335.517 3.018 10 30 EGEERP CCCCCCC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001715314943 1420023950 /nfs/dbraw/zinc/02/39/50/1420023950.db2.gz JQJDEATVQSNUEF-LJQANCHMSA-N 2 0 349.563 3.223 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001715421649 1420113547 /nfs/dbraw/zinc/11/35/47/1420113547.db2.gz UVHKUVFIODESQU-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001715421644 1420113614 /nfs/dbraw/zinc/11/36/14/1420113614.db2.gz UVHKUVFIODESQU-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001715456551 1420137523 /nfs/dbraw/zinc/13/75/23/1420137523.db2.gz LRPAPDBUHGBBMW-SJORKVTESA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001715483932 1420163246 /nfs/dbraw/zinc/16/32/46/1420163246.db2.gz WQFHOSFBLGPVTJ-QZTJIDSGSA-N 2 0 344.503 3.040 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CC ZINC001716638728 1420796051 /nfs/dbraw/zinc/79/60/51/1420796051.db2.gz DPJFIJHEEIMXMM-OALUTQOASA-N 2 0 347.547 3.045 10 30 EGEERP C=CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)C1CCCCCC1 ZINC001716714383 1420869294 /nfs/dbraw/zinc/86/92/94/1420869294.db2.gz IUFCNUVRCXRVEY-IBGZPJMESA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001716877425 1421002684 /nfs/dbraw/zinc/00/26/84/1421002684.db2.gz ZCJUZNBOXMQNKI-NRFANRHFSA-N 2 0 343.515 3.156 10 30 EGEERP 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 1421066825 /nfs/dbraw/zinc/06/68/25/1421066825.db2.gz BNXTWZMMOWGEMZ-LJDSDSDDSA-N 2 0 347.547 3.042 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001717037403 1421091447 /nfs/dbraw/zinc/09/14/47/1421091447.db2.gz KYTATCDIOBFUNL-GUDVDZBRSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001717039295 1421093828 /nfs/dbraw/zinc/09/38/28/1421093828.db2.gz XJDCTALBJMILIP-WOJBJXKFSA-N 2 0 347.547 3.284 10 30 EGEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2CCC)cc1 ZINC001717115470 1421119171 /nfs/dbraw/zinc/11/91/71/1421119171.db2.gz MJZHSIAVQRZVOK-YLJYHZDGSA-N 2 0 343.515 3.404 10 30 EGEERP C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001717356423 1421291496 /nfs/dbraw/zinc/29/14/96/1421291496.db2.gz XRDQZAAXCPBPFL-GOSISDBHSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001717705812 1421581141 /nfs/dbraw/zinc/58/11/41/1421581141.db2.gz NTKNAMVNYZOSOH-SFHVURJKSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)C[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001717836082 1421649344 /nfs/dbraw/zinc/64/93/44/1421649344.db2.gz GEECCQNRVGEYKQ-TZIWHRDSSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001718022838 1421777825 /nfs/dbraw/zinc/77/78/25/1421777825.db2.gz KIKKVBODWDAELI-QUCCMNQESA-N 2 0 347.547 3.210 10 30 EGEERP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001723615773 1424494373 /nfs/dbraw/zinc/49/43/73/1424494373.db2.gz XJXIQOSRGRUCCR-XIBWBMNSSA-N 2 0 347.547 3.185 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001723856906 1424586742 /nfs/dbraw/zinc/58/67/42/1424586742.db2.gz BSSGQGKZBWGCAO-IEBWSBKVSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001724712272 1425067287 /nfs/dbraw/zinc/06/72/87/1425067287.db2.gz VAMDMQABIGVACV-QGZVFWFLSA-N 2 0 340.471 3.051 10 30 EGEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001724745463 1425113891 /nfs/dbraw/zinc/11/38/91/1425113891.db2.gz IUUCFNOKFHPZPI-XLIONFOSSA-N 2 0 343.515 3.404 10 30 EGEERP C=CCC[NH2+]C1(C)CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001724962480 1425351223 /nfs/dbraw/zinc/35/12/23/1425351223.db2.gz BHCMOGIPLVDFAM-UHFFFAOYSA-N 2 0 347.503 3.282 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001724999281 1425407181 /nfs/dbraw/zinc/40/71/81/1425407181.db2.gz CIZPMWAYCFDJOT-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001725640788 1426318559 /nfs/dbraw/zinc/31/85/59/1426318559.db2.gz YPIGEDIZBUFDEK-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001725763425 1426445064 /nfs/dbraw/zinc/44/50/64/1426445064.db2.gz WBYZFNYFRKESPZ-GOSISDBHSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001731351690 1427290366 /nfs/dbraw/zinc/29/03/66/1427290366.db2.gz AFOLGTYTFUQIBH-HXUWFJFHSA-N 2 0 343.515 3.178 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001731548124 1427565257 /nfs/dbraw/zinc/56/52/57/1427565257.db2.gz NTWDTHPMGOYAJM-QGZVFWFLSA-N 2 0 340.471 3.193 10 30 EGEERP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001731561037 1427596338 /nfs/dbraw/zinc/59/63/38/1427596338.db2.gz DESLTYJWHFGSPV-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001731571617 1427613277 /nfs/dbraw/zinc/61/32/77/1427613277.db2.gz XYSQESKMWQQVOY-UHFFFAOYSA-N 2 0 349.563 3.482 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001733760353 1429974143 /nfs/dbraw/zinc/97/41/43/1429974143.db2.gz KGIYZJFIUPXVMX-MOPGFXCFSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001733877989 1437704973 /nfs/dbraw/zinc/70/49/73/1437704973.db2.gz GJHFBOYUDBJWJO-RBUKOAKNSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC001734152949 1437920383 /nfs/dbraw/zinc/92/03/83/1437920383.db2.gz MXYHQGRQESCTSY-IBGZPJMESA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C(C)(C)C ZINC001734560411 1438158381 /nfs/dbraw/zinc/15/83/81/1438158381.db2.gz IWCFPVYHBHMQOI-QGZVFWFLSA-N 2 0 337.552 3.338 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001734578781 1438171331 /nfs/dbraw/zinc/17/13/31/1438171331.db2.gz JSMRTBSPKXCZIE-LMMKCTJWSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001734584770 1438175394 /nfs/dbraw/zinc/17/53/94/1438175394.db2.gz NMJGLTCTLPZZAY-NLWGTHIKSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001734635738 1438196291 /nfs/dbraw/zinc/19/62/91/1438196291.db2.gz RFOVVBRUWGUZRA-FQEVSTJZSA-N 2 0 341.499 3.004 10 30 EGEERP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000245805907 455382069 /nfs/dbraw/zinc/38/20/69/455382069.db2.gz YOJMRSUSTLMMKD-WMZOPIPTSA-N 2 0 332.488 3.422 10 30 EGEERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135197835 454646390 /nfs/dbraw/zinc/64/63/90/454646390.db2.gz RAEKKWDCYMEPFX-KRWDZBQOSA-N 2 0 343.515 3.012 10 30 EGEERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)CCC#N)cc2)[C@H](C)C1 ZINC000093639363 454725061 /nfs/dbraw/zinc/72/50/61/454725061.db2.gz MJANFFNIKKWQMP-YLJYHZDGSA-N 2 0 328.504 3.199 10 30 EGEERP CN(CCC#N)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000174598096 455406372 /nfs/dbraw/zinc/40/63/72/455406372.db2.gz LUUXPJPSDNQULS-CTXDPNEZSA-N 2 0 326.488 3.141 10 30 EGEERP CSC1(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC[NH+](C)CC1 ZINC000594946024 459188197 /nfs/dbraw/zinc/18/81/97/459188197.db2.gz ZRHZYDKJWBQVTJ-UHFFFAOYSA-N 2 0 329.513 3.159 10 30 EGEERP C[NH+](CC#CC[N@H+](C)CCc1cccs1)CCc1cccs1 ZINC000570339381 459554750 /nfs/dbraw/zinc/55/47/50/459554750.db2.gz ZUXTZTRZDXTKJX-UHFFFAOYSA-N 2 0 332.538 3.462 10 30 EGEERP CC(C)C[N@H+](C)CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000593645267 459940323 /nfs/dbraw/zinc/94/03/23/459940323.db2.gz HGJADXNVOXSDOP-UHFFFAOYSA-N 2 0 342.531 3.090 10 30 EGEERP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1 ZINC000651678863 462301021 /nfs/dbraw/zinc/30/10/21/462301021.db2.gz GSGRDICBJCQZBD-MJGOQNOKSA-N 2 0 328.504 3.058 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000876719624 1298936559 /nfs/dbraw/zinc/93/65/59/1298936559.db2.gz QAARKDXSFDYKDL-PBHICJAKSA-N 2 0 335.879 3.469 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000876720049 1298939622 /nfs/dbraw/zinc/93/96/22/1298939622.db2.gz ZQRALMYVAOILCC-KSSFIOAISA-N 2 0 349.906 3.005 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000876733984 1298947538 /nfs/dbraw/zinc/94/75/38/1298947538.db2.gz MTACFWVSGJBXQG-KRWDZBQOSA-N 2 0 335.879 3.123 10 30 EGEERP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000922240024 1322485712 /nfs/dbraw/zinc/48/57/12/1322485712.db2.gz LYVDHCGGXSFIFZ-NRFANRHFSA-N 2 0 349.478 3.032 10 30 EGEERP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1[O-] ZINC000866351058 1330100496 /nfs/dbraw/zinc/10/04/96/1330100496.db2.gz GQZRTYFVUNDEJX-FUHWJXTLSA-N 2 0 335.451 3.437 10 30 EGEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940737024 1331173547 /nfs/dbraw/zinc/17/35/47/1331173547.db2.gz MCFNMGMKCDQPMT-ROUUACIJSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940837559 1331213378 /nfs/dbraw/zinc/21/33/78/1331213378.db2.gz VWHLSXSQOIWJJJ-GOSISDBHSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001323695152 1387423324 /nfs/dbraw/zinc/42/33/24/1387423324.db2.gz CZQPXZBVNLBVSG-ZCNNSNEGSA-N 2 0 347.547 3.138 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001324661887 1387722225 /nfs/dbraw/zinc/72/22/25/1387722225.db2.gz QNGDAJPXRIMDGB-FXAWDEMLSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC001326459023 1388198406 /nfs/dbraw/zinc/19/84/06/1388198406.db2.gz VNRUERZIZQHTBD-UHFFFAOYSA-N 2 0 343.515 3.043 10 30 EGEERP C=CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001327299856 1388490731 /nfs/dbraw/zinc/49/07/31/1388490731.db2.gz PSXFFDZFKMKWDG-OALUTQOASA-N 2 0 349.563 3.101 10 30 EGEERP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001275724727 1378153692 /nfs/dbraw/zinc/15/36/92/1378153692.db2.gz ANNKOFCUTYJKDD-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH+]1Cc2ccc(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001281304995 1378414490 /nfs/dbraw/zinc/41/44/90/1378414490.db2.gz OVTCQHVKCRMPJP-CALCHBBNSA-N 2 0 341.499 3.067 10 30 EGEERP C=C(C)C[NH2+]CCC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001283435173 1378927045 /nfs/dbraw/zinc/92/70/45/1378927045.db2.gz VJSBTOFXYWBNDL-RLLQIKCJSA-N 2 0 343.515 3.130 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001284058360 1379410398 /nfs/dbraw/zinc/41/03/98/1379410398.db2.gz QJGSWDYCGIHRFO-XCJLJZCSSA-N 2 0 347.547 3.186 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001316784538 1384581184 /nfs/dbraw/zinc/58/11/84/1384581184.db2.gz ADJYMTRFEKZVHR-MSOLQXFVSA-N 2 0 335.536 3.164 10 30 EGEERP CCCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317195962 1384970298 /nfs/dbraw/zinc/97/02/98/1384970298.db2.gz OELTVCZZLICWPJ-OALUTQOASA-N 2 0 337.552 3.412 10 30 EGEERP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001317801544 1385495219 /nfs/dbraw/zinc/49/52/19/1385495219.db2.gz CZAKCJWVNWVYLQ-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001318403294 1385674205 /nfs/dbraw/zinc/67/42/05/1385674205.db2.gz QTSURDGKTGEJRW-RBUKOAKNSA-N 2 0 337.552 3.362 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC001319658243 1386237752 /nfs/dbraw/zinc/23/77/52/1386237752.db2.gz WOOZXANOTNGDBX-IBGZPJMESA-N 2 0 347.547 3.236 10 30 EGEERP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001319764502 1386286131 /nfs/dbraw/zinc/28/61/31/1386286131.db2.gz ZBGHEUBKHJGPFF-HXUWFJFHSA-N 2 0 347.547 3.025 10 30 EGEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001319807644 1386306605 /nfs/dbraw/zinc/30/66/05/1386306605.db2.gz IYVUBWPOPIGLSU-WBVHZDCISA-N 2 0 340.471 3.049 10 30 EGEERP CS[C@@H]1CC[C@@H]([NH+](C)CC#CC[N@@H+](C)[C@H]2CC[C@@H](SC)C2)C1 ZINC001321742956 1386972566 /nfs/dbraw/zinc/97/25/66/1386972566.db2.gz JOWZFHOHZPYGBO-XMTFNYHQSA-N 2 0 340.602 3.422 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001332821970 1390193620 /nfs/dbraw/zinc/19/36/20/1390193620.db2.gz BOVFVIXCPXQPSV-SJORKVTESA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001479527429 1392270347 /nfs/dbraw/zinc/27/03/47/1392270347.db2.gz UFBQRKIAUYTAAR-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001479685355 1392318832 /nfs/dbraw/zinc/31/88/32/1392318832.db2.gz FRELSMIFIUSKFJ-SFHVURJKSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001479694214 1392325354 /nfs/dbraw/zinc/32/53/54/1392325354.db2.gz NMDSWVBCVQHYJY-IBGZPJMESA-N 2 0 335.536 3.189 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001479959479 1392495519 /nfs/dbraw/zinc/49/55/19/1392495519.db2.gz UGGIEYQLYZSTIS-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001479986899 1392519493 /nfs/dbraw/zinc/51/94/93/1392519493.db2.gz AGKZXEBVABIHDU-OALUTQOASA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001480096208 1392582409 /nfs/dbraw/zinc/58/24/09/1392582409.db2.gz OOJZVZRYELVNJZ-HSALFYBXSA-N 2 0 345.531 3.035 10 30 EGEERP C=CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001480331641 1392690102 /nfs/dbraw/zinc/69/01/02/1392690102.db2.gz HWCFMDXSFHUVOP-CTNGQTDRSA-N 2 0 347.547 3.189 10 30 EGEERP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001698871611 1406590961 /nfs/dbraw/zinc/59/09/61/1406590961.db2.gz OZPMRYDCOQNMET-ICSRJNTNSA-N 2 0 349.563 3.480 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001698920177 1406655108 /nfs/dbraw/zinc/65/51/08/1406655108.db2.gz KAFKMKHVDGLAHA-FQEVSTJZSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001490378330 1394206758 /nfs/dbraw/zinc/20/67/58/1394206758.db2.gz YACZRNFHLCQCQW-UHFFFAOYSA-N 2 0 340.471 3.193 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481461396 1394317374 /nfs/dbraw/zinc/31/73/74/1394317374.db2.gz BXDGFBQWGRWDBR-UXHICEINSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001491110408 1394431346 /nfs/dbraw/zinc/43/13/46/1394431346.db2.gz HFURUDKFUXPJKO-MOPGFXCFSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001491189371 1394463934 /nfs/dbraw/zinc/46/39/34/1394463934.db2.gz BIOMAYBLRVFKSY-QGZVFWFLSA-N 2 0 347.503 3.139 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001491270887 1394499006 /nfs/dbraw/zinc/49/90/06/1394499006.db2.gz JGRAYDACSQSOMT-PMACEKPBSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001491270890 1394499130 /nfs/dbraw/zinc/49/91/30/1394499130.db2.gz JGRAYDACSQSOMT-WOJBJXKFSA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481770382 1394513816 /nfs/dbraw/zinc/51/38/16/1394513816.db2.gz DGLMCDAQYRYBSJ-MOPGFXCFSA-N 2 0 337.552 3.364 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001482481720 1395035355 /nfs/dbraw/zinc/03/53/55/1395035355.db2.gz KHCWXCHTWMCFAA-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484106415 1395254787 /nfs/dbraw/zinc/25/47/87/1395254787.db2.gz FLUGNJGCLPLGFQ-ZJOUEHCJSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001484139033 1395275251 /nfs/dbraw/zinc/27/52/51/1395275251.db2.gz XBVPWXADHOJDMT-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)C2 ZINC001484391803 1395362148 /nfs/dbraw/zinc/36/21/48/1395362148.db2.gz WMQTWHAXYNVVIV-ACDBMABISA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001484723396 1395487956 /nfs/dbraw/zinc/48/79/56/1395487956.db2.gz GRTYIYSCZSOLFZ-IBGZPJMESA-N 2 0 335.536 3.044 10 30 EGEERP C=C(Cl)C[NH2+]CCC[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001485779149 1396149185 /nfs/dbraw/zinc/14/91/85/1396149185.db2.gz VWTDVXRNZXXTRT-ZWKOTPCHSA-N 2 0 349.906 3.060 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001689145625 1396946177 /nfs/dbraw/zinc/94/61/77/1396946177.db2.gz BVQOWIGNLYAMLA-YZGWKJHDSA-N 2 0 347.547 3.042 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)CC(C)(C)C1 ZINC001689365692 1403706277 /nfs/dbraw/zinc/70/62/77/1403706277.db2.gz LAQROXLEAWWKNG-ZWKOTPCHSA-N 2 0 337.552 3.290 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690386000 1404519277 /nfs/dbraw/zinc/51/92/77/1404519277.db2.gz TWLZYOHDJBWARE-IBGZPJMESA-N 2 0 349.563 3.293 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001690418296 1404548445 /nfs/dbraw/zinc/54/84/45/1404548445.db2.gz ODCGFNPOHVIWDF-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001690501719 1404614642 /nfs/dbraw/zinc/61/46/42/1404614642.db2.gz OOKIPCUSRAGVSZ-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001690910789 1404821006 /nfs/dbraw/zinc/82/10/06/1404821006.db2.gz UPKIPJWNKSLWBA-IBGZPJMESA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001691686491 1405421748 /nfs/dbraw/zinc/42/17/48/1405421748.db2.gz LBQGOIKRDXLLMV-SFHVURJKSA-N 2 0 347.547 3.045 10 30 EGEERP CCCCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001691798579 1405510445 /nfs/dbraw/zinc/51/04/45/1405510445.db2.gz GORAFPAKKUOBEB-IBGZPJMESA-N 2 0 349.563 3.366 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001691886165 1405608893 /nfs/dbraw/zinc/60/88/93/1405608893.db2.gz CDYULNZGJJJNDA-IEBWSBKVSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691961587 1405680377 /nfs/dbraw/zinc/68/03/77/1405680377.db2.gz NJYOVBBORLSGCI-CEXWTWQISA-N 2 0 337.552 3.077 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1sccc1C[NH+](C)C ZINC001731751858 1427848480 /nfs/dbraw/zinc/84/84/80/1427848480.db2.gz ZURRBAMOSPBSBE-KRWDZBQOSA-N 2 0 349.544 3.360 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001698573711 1406180267 /nfs/dbraw/zinc/18/02/67/1406180267.db2.gz BVQMYRFTJWOTAK-RBUKOAKNSA-N 2 0 337.552 3.364 10 30 EGEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCCC1 ZINC001732394974 1428562759 /nfs/dbraw/zinc/56/27/59/1428562759.db2.gz VBRNKMHECVIOGM-LJQANCHMSA-N 2 0 347.547 3.378 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001732522894 1428642207 /nfs/dbraw/zinc/64/22/07/1428642207.db2.gz CLMXTBPKQLQKLL-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001699681196 1413075575 /nfs/dbraw/zinc/07/55/75/1413075575.db2.gz LOJQZALPLJVOKO-QBUWPKIASA-N 2 0 335.536 3.185 10 30 EGEERP C=CCCC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001699695540 1413104340 /nfs/dbraw/zinc/10/43/40/1413104340.db2.gz ZTLMTAUJEDSTOW-IBGZPJMESA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001700199317 1413641932 /nfs/dbraw/zinc/64/19/32/1413641932.db2.gz VGOUFHLDQQGADR-UXHICEINSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001700321389 1413787601 /nfs/dbraw/zinc/78/76/01/1413787601.db2.gz ZXLPXPZFVVGJAR-PKOBYXMFSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001700620848 1414289467 /nfs/dbraw/zinc/28/94/67/1414289467.db2.gz AJIDUGWNLGMSAM-IBGZPJMESA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001713751014 1418551996 /nfs/dbraw/zinc/55/19/96/1418551996.db2.gz LKYAQJWEMWOICP-KRWDZBQOSA-N 2 0 340.471 3.003 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001714043888 1418835416 /nfs/dbraw/zinc/83/54/16/1418835416.db2.gz DJPSOKHMEODMMD-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001714126996 1418931390 /nfs/dbraw/zinc/93/13/90/1418931390.db2.gz GPQBFWZGMVYWAI-KRWDZBQOSA-N 2 0 349.544 3.360 10 30 EGEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001714507948 1419235458 /nfs/dbraw/zinc/23/54/58/1419235458.db2.gz URDQTLQBFHEKEU-SFHVURJKSA-N 2 0 335.536 3.236 10 30 EGEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001714510178 1419237596 /nfs/dbraw/zinc/23/75/96/1419237596.db2.gz UGNOQHIFPUAXKV-QZTJIDSGSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001714627204 1419398301 /nfs/dbraw/zinc/39/83/01/1419398301.db2.gz YYLCUMIOVVJNNY-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001714979356 1419714420 /nfs/dbraw/zinc/71/44/20/1419714420.db2.gz RNWGAFYCXUOLMY-RBUKOAKNSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001717035678 1421089021 /nfs/dbraw/zinc/08/90/21/1421089021.db2.gz MZQUKHCBILPOIT-OALUTQOASA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001717114514 1421118596 /nfs/dbraw/zinc/11/85/96/1421118596.db2.gz CGIVVZQHNYMDBJ-QGZVFWFLSA-N 2 0 343.515 3.404 10 30 EGEERP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001717115661 1421119816 /nfs/dbraw/zinc/11/98/16/1421119816.db2.gz OMJABFJWOYGFLE-INIZCTEOSA-N 2 0 329.488 3.014 10 30 EGEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001717125764 1421127849 /nfs/dbraw/zinc/12/78/49/1421127849.db2.gz QXKYXUQNPKREQY-VAMGGRTRSA-N 2 0 349.563 3.338 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001717449250 1421379291 /nfs/dbraw/zinc/37/92/91/1421379291.db2.gz BPIMAMMHCFHUSF-SOAGJPPSSA-N 2 0 349.563 3.432 10 30 EGEERP CCCCCCC[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001717552415 1421489351 /nfs/dbraw/zinc/48/93/51/1421489351.db2.gz IPEXQDKHSRGCLZ-KRWDZBQOSA-N 2 0 335.536 3.022 10 30 EGEERP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001717978815 1421749575 /nfs/dbraw/zinc/74/95/75/1421749575.db2.gz KAZYWQNLMZTHJF-IEBWSBKVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001733377962 1429561649 /nfs/dbraw/zinc/56/16/49/1429561649.db2.gz ABCFPHQXGBEOCI-VQTJNVASSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001733402104 1429597207 /nfs/dbraw/zinc/59/72/07/1429597207.db2.gz HMRMIFYDQINFIO-RXVVDRJESA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH+]1CCC(C)(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001733453753 1429667640 /nfs/dbraw/zinc/66/76/40/1429667640.db2.gz UDNUYYPZCAAQDN-HDICACEKSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001733538560 1429744667 /nfs/dbraw/zinc/74/46/67/1429744667.db2.gz UWPXDEWFNMQKNV-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001724341111 1424833936 /nfs/dbraw/zinc/83/39/36/1424833936.db2.gz QOLQHVKDBIFVNW-TZIWHRDSSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001724754996 1425125606 /nfs/dbraw/zinc/12/56/06/1425125606.db2.gz VBMMWLWCNVTYSS-FHWLQOOXSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001724870346 1425253718 /nfs/dbraw/zinc/25/37/18/1425253718.db2.gz YIRFWAHQWRTEFS-VQTJNVASSA-N 2 0 349.563 3.388 10 30 EGEERP CCCCCCC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001724957303 1425344984 /nfs/dbraw/zinc/34/49/84/1425344984.db2.gz QVZYGGZGLOXOGH-SFHVURJKSA-N 2 0 337.552 3.269 10 30 EGEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001725423844 1426078238 /nfs/dbraw/zinc/07/82/38/1426078238.db2.gz BNSSSEVALYXHKY-SFHVURJKSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCCCC[NH+]1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001731361869 1427296933 /nfs/dbraw/zinc/29/69/33/1427296933.db2.gz BSOGPDJYUSPBON-UHFFFAOYSA-N 2 0 347.547 3.284 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001731503319 1427485633 /nfs/dbraw/zinc/48/56/33/1427485633.db2.gz LKCSUCMRBJMVRG-ICSRJNTNSA-N 2 0 349.563 3.127 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001731553835 1427577971 /nfs/dbraw/zinc/57/79/71/1427577971.db2.gz YYKPMHNIBAOZCL-MOPGFXCFSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001731571324 1427612126 /nfs/dbraw/zinc/61/21/26/1427612126.db2.gz DOWWVPJXVSGIAT-ACBHZAAOSA-N 2 0 335.536 3.233 10 30 EGEERP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001734146202 1437914580 /nfs/dbraw/zinc/91/45/80/1437914580.db2.gz OZXOYWFKBZFOKI-MOPGFXCFSA-N 2 0 347.547 3.186 10 30 EGEERP CCCCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001734426340 1438091739 /nfs/dbraw/zinc/09/17/39/1438091739.db2.gz OWAHBTMEVVLVSW-RTBURBONSA-N 2 0 337.552 3.268 10 30 EGEERP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@H]21 ZINC001734441124 1438103345 /nfs/dbraw/zinc/10/33/45/1438103345.db2.gz BVKRBTWQXAVVRU-MISYRCLQSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001734579623 1438172178 /nfs/dbraw/zinc/17/21/78/1438172178.db2.gz GAKGVPHQAOSDLX-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001734603613 1438184511 /nfs/dbraw/zinc/18/45/11/1438184511.db2.gz IDUPCIVNUXMYLT-GOSISDBHSA-N 2 0 349.563 3.269 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC(C)(C)C1 ZINC001750943772 1440117197 /nfs/dbraw/zinc/11/71/97/1440117197.db2.gz AGQUHXVVKMKYNW-MSOLQXFVSA-N 2 0 337.552 3.288 10 30 EGEERP N#Cc1ccc(OC2CC[NH+](CC3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000095929874 218450651 /nfs/dbraw/zinc/45/06/51/218450651.db2.gz FLCDYCJUBOVFRA-UHFFFAOYSA-N 2 0 333.863 3.054 10 30 EGEERP N#Cc1ccc(N2CCC([NH2+]C3CC([NH+]4CCCCC4)C3)CC2)cc1 ZINC000367635764 168253067 /nfs/dbraw/zinc/25/30/67/168253067.db2.gz LMTIDBSUBVREFR-UHFFFAOYSA-N 2 0 338.499 3.134 10 30 EGEERP C=CCc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc(OC)c1O ZINC000093638959 454725221 /nfs/dbraw/zinc/72/52/21/454725221.db2.gz OTQAYSUJKBYDCJ-CRAIPNDOSA-N 2 0 332.488 3.291 10 30 EGEERP CC[NH+]1CCC(CC[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000174550940 455403067 /nfs/dbraw/zinc/40/30/67/455403067.db2.gz RCPPHYDQMOOHAY-UHFFFAOYSA-N 2 0 328.504 3.248 10 30 EGEERP C=CCOc1ccccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000352890714 456393821 /nfs/dbraw/zinc/39/38/21/456393821.db2.gz YVWKAZWJYBHQDT-UHFFFAOYSA-N 2 0 344.499 3.186 10 30 EGEERP N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCN3C3CCCC3)CC2)cc1 ZINC000527806836 459743759 /nfs/dbraw/zinc/74/37/59/459743759.db2.gz FUBCDUSSLSCMFZ-OAQYLSRUSA-N 2 0 338.499 3.134 10 30 EGEERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528403091 459805858 /nfs/dbraw/zinc/80/58/58/459805858.db2.gz IGEKVPPPDWXWGD-IEBWSBKVSA-N 2 0 333.520 3.018 10 30 EGEERP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000594441590 460221617 /nfs/dbraw/zinc/22/16/17/460221617.db2.gz SWQZIPOWYZEOSN-LJQANCHMSA-N 2 0 342.487 3.065 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000876719246 1298935257 /nfs/dbraw/zinc/93/52/57/1298935257.db2.gz GQLYSZCHHHGCAF-KDOFPFPSSA-N 2 0 349.906 3.005 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000876763144 1298969650 /nfs/dbraw/zinc/96/96/50/1298969650.db2.gz OAACZJTWMYMLKK-NVXWUHKLSA-N 2 0 349.906 3.236 10 30 EGEERP C=CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000883188027 1302294988 /nfs/dbraw/zinc/29/49/88/1302294988.db2.gz BNOPKSDLTDTGST-LEWJYISDSA-N 2 0 341.543 3.322 10 30 EGEERP C#C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000895332893 1309285738 /nfs/dbraw/zinc/28/57/38/1309285738.db2.gz QVXGYHDNGNWCKU-FKVLARQCSA-N 2 0 338.495 3.058 10 30 EGEERP C[C@@H]1C[C@@H](N(C)Cc2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000929809308 1328706823 /nfs/dbraw/zinc/70/68/23/1328706823.db2.gz XJWDVSMVQAHKGQ-UTKZUKDTSA-N 2 0 334.467 3.438 10 30 EGEERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000925701955 1325264939 /nfs/dbraw/zinc/26/49/39/1325264939.db2.gz IOTGPGFIYXYUAA-AZUAARDMSA-N 2 0 340.515 3.018 10 30 EGEERP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000925886632 1325343058 /nfs/dbraw/zinc/34/30/58/1325343058.db2.gz JKDGKXNTSBUBAM-NBHGPNQESA-N 2 0 335.451 3.299 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801297 1331199296 /nfs/dbraw/zinc/19/92/96/1331199296.db2.gz RUMNZCNNYNGZIJ-OALUTQOASA-N 2 0 347.547 3.186 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940853249 1331221299 /nfs/dbraw/zinc/22/12/99/1331221299.db2.gz PCKYYEXAUFNHNT-GOSISDBHSA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940971824 1331281325 /nfs/dbraw/zinc/28/13/25/1331281325.db2.gz DDMSNUFJLKXMOA-MOPGFXCFSA-N 2 0 349.563 3.291 10 30 EGEERP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973097 1331281665 /nfs/dbraw/zinc/28/16/65/1331281665.db2.gz RPEZREZYSABICL-RTBURBONSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001324098111 1387541144 /nfs/dbraw/zinc/54/11/44/1387541144.db2.gz PIXLXLUKMQTYCD-SJORKVTESA-N 2 0 347.503 3.280 10 30 EGEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001324763894 1387763967 /nfs/dbraw/zinc/76/39/67/1387763967.db2.gz PXOFDSZPYHAKCP-HXUWFJFHSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001324935253 1387831486 /nfs/dbraw/zinc/83/14/86/1387831486.db2.gz BSBIFWKYZHDDCU-LJQANCHMSA-N 2 0 349.544 3.218 10 30 EGEERP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001327307738 1388494245 /nfs/dbraw/zinc/49/42/45/1388494245.db2.gz GQVORNVHIBFROL-WOJBJXKFSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001271584983 1377641336 /nfs/dbraw/zinc/64/13/36/1377641336.db2.gz DQZCKPQTGJIDLU-QUCCMNQESA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH2+]CCC[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001283434004 1378925204 /nfs/dbraw/zinc/92/52/04/1378925204.db2.gz MUQHMRWHRHLFHL-PMACEKPBSA-N 2 0 343.515 3.274 10 30 EGEERP C=CCCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C)cc2C1 ZINC001327685518 1388581785 /nfs/dbraw/zinc/58/17/85/1388581785.db2.gz PEMGESZADHZJRD-FQEVSTJZSA-N 2 0 341.499 3.069 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@]2(NC(=O)Cc3[nH]cnc3C)CCC[C@@H]12 ZINC001284070927 1379432800 /nfs/dbraw/zinc/43/28/00/1379432800.db2.gz KUSPNLGWCBFOEW-QUCCMNQESA-N 2 0 346.519 3.344 10 30 EGEERP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001316944225 1384716508 /nfs/dbraw/zinc/71/65/08/1384716508.db2.gz KPTACAPNIZIBCJ-RBUKOAKNSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001317050027 1384826561 /nfs/dbraw/zinc/82/65/61/1384826561.db2.gz PKLDRAHGZYMDEH-LWYYNNOASA-N 2 0 347.547 3.281 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001698627802 1406270203 /nfs/dbraw/zinc/27/02/03/1406270203.db2.gz VYNQXTNCCCRWJA-ZWKOTPCHSA-N 2 0 335.536 3.233 10 30 EGEERP C=CC[NH2+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CCCCC1 ZINC001319657518 1386237282 /nfs/dbraw/zinc/23/72/82/1386237282.db2.gz RUOBUQOLDWWAFG-IBGZPJMESA-N 2 0 340.471 3.097 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001319693102 1386254340 /nfs/dbraw/zinc/25/43/40/1386254340.db2.gz XTCQKEMNVSNDCO-BEFAXECRSA-N 2 0 340.471 3.049 10 30 EGEERP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001329935843 1389263973 /nfs/dbraw/zinc/26/39/73/1389263973.db2.gz GZSYHNMIFPTMAC-IBGZPJMESA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001332013093 1389946139 /nfs/dbraw/zinc/94/61/39/1389946139.db2.gz HTSTWXVGPLEVNL-ROUUACIJSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CC[NH+](CC)CC)c1ccccc1 ZINC001343748796 1390734762 /nfs/dbraw/zinc/73/47/62/1390734762.db2.gz QKHQBDXAGFFPTD-SJORKVTESA-N 2 0 337.895 3.046 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001488837588 1391731623 /nfs/dbraw/zinc/73/16/23/1391731623.db2.gz HWILJXQDHDBUNK-DJIMGWMZSA-N 2 0 340.471 3.095 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001479647811 1392306549 /nfs/dbraw/zinc/30/65/49/1392306549.db2.gz ZKNHQOQEENYBSZ-VQTJNVASSA-N 2 0 343.515 3.297 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001479959480 1392495281 /nfs/dbraw/zinc/49/52/81/1392495281.db2.gz UGGIEYQLYZSTIS-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001480702387 1392866113 /nfs/dbraw/zinc/86/61/13/1392866113.db2.gz RELMHNJWSCHXCR-OALUTQOASA-N 2 0 337.552 3.316 10 30 EGEERP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001480824166 1392962416 /nfs/dbraw/zinc/96/24/16/1392962416.db2.gz OPDLONGFMAPZNF-SFHVURJKSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001480825951 1392963875 /nfs/dbraw/zinc/96/38/75/1392963875.db2.gz LBUVKRQGPLQTTC-QUCCMNQESA-N 2 0 347.547 3.330 10 30 EGEERP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001481336147 1393166438 /nfs/dbraw/zinc/16/64/38/1393166438.db2.gz XNLBJBWWZBYXIP-GOSISDBHSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001490454779 1394232375 /nfs/dbraw/zinc/23/23/75/1394232375.db2.gz LCLINACAEKFPJI-FXAWDEMLSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001698952166 1406693996 /nfs/dbraw/zinc/69/39/96/1406693996.db2.gz SFAFPXGNDXYAKH-VQTJNVASSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001698955512 1406702809 /nfs/dbraw/zinc/70/28/09/1406702809.db2.gz PFDKENDQQSNBBN-PMACEKPBSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001482010169 1394669704 /nfs/dbraw/zinc/66/97/04/1394669704.db2.gz MXSSDGNIZGEIQJ-HXUWFJFHSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001484022731 1395194669 /nfs/dbraw/zinc/19/46/69/1395194669.db2.gz ODROEJRQHUKHNG-NRFANRHFSA-N 2 0 349.563 3.389 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001484164411 1395299146 /nfs/dbraw/zinc/29/91/46/1395299146.db2.gz WSUBLIZLNOQSOP-PZJWPPBQSA-N 2 0 349.563 3.291 10 30 EGEERP C=CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001485436684 1395903965 /nfs/dbraw/zinc/90/39/65/1395903965.db2.gz HRQCZLWMSTXBGI-UXHICEINSA-N 2 0 349.563 3.432 10 30 EGEERP CCCCCCC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001485570864 1396035442 /nfs/dbraw/zinc/03/54/42/1396035442.db2.gz UNQXGQSXQSMFQA-OALUTQOASA-N 2 0 349.563 3.125 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001486203042 1396181922 /nfs/dbraw/zinc/18/19/22/1396181922.db2.gz TUXNWQGCBZRSDI-RDJZCZTQSA-N 2 0 349.544 3.264 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001689125526 1396931100 /nfs/dbraw/zinc/93/11/00/1396931100.db2.gz QMMOYGNPLXVHOJ-IYWMVGAKSA-N 2 0 349.563 3.290 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001690045663 1404279895 /nfs/dbraw/zinc/27/98/95/1404279895.db2.gz WJWLUHJOOMCARY-FHWLQOOXSA-N 2 0 337.552 3.268 10 30 EGEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001690151977 1404351722 /nfs/dbraw/zinc/35/17/22/1404351722.db2.gz WWKQODHMMOWSCS-QUCCMNQESA-N 2 0 347.547 3.092 10 30 EGEERP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001690190801 1404392866 /nfs/dbraw/zinc/39/28/66/1404392866.db2.gz FQFGLLTYZYBGSW-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001690473525 1404597037 /nfs/dbraw/zinc/59/70/37/1404597037.db2.gz XOSMDSHOGLFHIG-RTBURBONSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001690826704 1404764269 /nfs/dbraw/zinc/76/42/69/1404764269.db2.gz MTQXRUPXTZRQCC-IBGZPJMESA-N 2 0 335.536 3.142 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001691086606 1405019858 /nfs/dbraw/zinc/01/98/58/1405019858.db2.gz UPYKIKRDTHMYGT-DOTOQJQBSA-N 2 0 340.471 3.192 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001691823081 1405539048 /nfs/dbraw/zinc/53/90/48/1405539048.db2.gz JCHIEXCQMLZBNV-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001692004784 1405721191 /nfs/dbraw/zinc/72/11/91/1405721191.db2.gz LSDOCCWBXJWWQQ-QZTJIDSGSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001692085673 1405766312 /nfs/dbraw/zinc/76/63/12/1405766312.db2.gz CTNNYWIFQQJPOB-MSOLQXFVSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001692118182 1405780970 /nfs/dbraw/zinc/78/09/70/1405780970.db2.gz JJYYBLWHTLVJJX-HSALFYBXSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001692121098 1405783495 /nfs/dbraw/zinc/78/34/95/1405783495.db2.gz NMODUUOHDRULGB-RTBURBONSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001692127617 1405786649 /nfs/dbraw/zinc/78/66/49/1405786649.db2.gz AQRGFDKMEKZRKO-UYAOXDASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001692332978 1405952553 /nfs/dbraw/zinc/95/25/53/1405952553.db2.gz JFPPGWOZZJAVSF-WOJBJXKFSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001732522896 1428641952 /nfs/dbraw/zinc/64/19/52/1428641952.db2.gz CLMXTBPKQLQKLL-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001732529343 1428649989 /nfs/dbraw/zinc/64/99/89/1428649989.db2.gz CZQKZUYWYXHKHB-XLIONFOSSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001732528179 1428648417 /nfs/dbraw/zinc/64/84/17/1428648417.db2.gz NWBQOQWSFMNMOL-HOTGVXAUSA-N 2 0 349.544 3.216 10 30 EGEERP C#CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCCCC1 ZINC001699682885 1413077547 /nfs/dbraw/zinc/07/75/47/1413077547.db2.gz BGAHMFUTWTZUKP-IBGZPJMESA-N 2 0 347.547 3.025 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001700016773 1413461952 /nfs/dbraw/zinc/46/19/52/1413461952.db2.gz KXZWPRHKHDCIPZ-RBUKOAKNSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001700090984 1413502766 /nfs/dbraw/zinc/50/27/66/1413502766.db2.gz JDMNLICCJMRDDV-SFHVURJKSA-N 2 0 343.515 3.043 10 30 EGEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700352684 1413846732 /nfs/dbraw/zinc/84/67/32/1413846732.db2.gz CZIDJZBKXCFJEB-SFHVURJKSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[NH+]1CCCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001700620788 1414289673 /nfs/dbraw/zinc/28/96/73/1414289673.db2.gz YGXJVXUXOJBPMA-UHFFFAOYSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001701010080 1414668671 /nfs/dbraw/zinc/66/86/71/1414668671.db2.gz ULZOCODXNOJARG-PKOBYXMFSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001707240440 1417260600 /nfs/dbraw/zinc/26/06/00/1417260600.db2.gz UCVNNUXXBVWQQE-MOPGFXCFSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713134286 1417712719 /nfs/dbraw/zinc/71/27/19/1417712719.db2.gz KXVLCWIHLMJANE-PMACEKPBSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001713764849 1418577282 /nfs/dbraw/zinc/57/72/82/1418577282.db2.gz RSARHWIFADAZGK-PMACEKPBSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001714025876 1418811059 /nfs/dbraw/zinc/81/10/59/1418811059.db2.gz UVDRUWKWAWHQQU-RTBURBONSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001714130170 1418933659 /nfs/dbraw/zinc/93/36/59/1418933659.db2.gz YYWQETHWBDKWLM-PMACEKPBSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001714130172 1418933696 /nfs/dbraw/zinc/93/36/96/1418933696.db2.gz YYWQETHWBDKWLM-VQTJNVASSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001714153476 1418961118 /nfs/dbraw/zinc/96/11/18/1418961118.db2.gz IAILLMIFXUKORZ-ICSRJNTNSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001714330447 1419109703 /nfs/dbraw/zinc/10/97/03/1419109703.db2.gz LPBOGOCNIMSTRB-PMACEKPBSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001714622131 1419389091 /nfs/dbraw/zinc/38/90/91/1419389091.db2.gz KVPUPXOYCVFBPX-PXNSSMCTSA-N 2 0 343.515 3.297 10 30 EGEERP CCCCCCC[NH2+][C@@H](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001714818618 1419529128 /nfs/dbraw/zinc/52/91/28/1419529128.db2.gz ZFJZPUNLKJSMQH-SFHVURJKSA-N 2 0 349.563 3.269 10 30 EGEERP C=CCC[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001715195481 1419927368 /nfs/dbraw/zinc/92/73/68/1419927368.db2.gz DIJMXTUMSXVITP-UHFFFAOYSA-N 2 0 343.515 3.089 10 30 EGEERP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001715484296 1420164089 /nfs/dbraw/zinc/16/40/89/1420164089.db2.gz GICLPUVTCAJZMB-WOJBJXKFSA-N 2 0 349.563 3.243 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001715545566 1420242736 /nfs/dbraw/zinc/24/27/36/1420242736.db2.gz QAWOCIPPNXHXKG-AZUAARDMSA-N 2 0 349.563 3.364 10 30 EGEERP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001716052937 1420517877 /nfs/dbraw/zinc/51/78/77/1420517877.db2.gz HFZHJTBQXPVCTP-UXHICEINSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001733269787 1429431848 /nfs/dbraw/zinc/43/18/48/1429431848.db2.gz RPKKGIYMWOFBND-OALUTQOASA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001733270142 1429432564 /nfs/dbraw/zinc/43/25/64/1429432564.db2.gz WGIFZBNUZARLQW-PMACEKPBSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001716877345 1421002723 /nfs/dbraw/zinc/00/27/23/1421002723.db2.gz XWJRGDNHQXYKCX-NRFANRHFSA-N 2 0 343.515 3.156 10 30 EGEERP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001716894023 1421020417 /nfs/dbraw/zinc/02/04/17/1421020417.db2.gz HUZNXVCVJZXXQG-FQEVSTJZSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001717115258 1421119143 /nfs/dbraw/zinc/11/91/43/1421119143.db2.gz KHLVDWYPNXNKDE-VQIMIIECSA-N 2 0 329.488 3.014 10 30 EGEERP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001717449847 1421379664 /nfs/dbraw/zinc/37/96/64/1421379664.db2.gz QHEIVKMVSKVBEP-MHJFOBGBSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001717536162 1421473821 /nfs/dbraw/zinc/47/38/21/1421473821.db2.gz FJLQNKFYCAGOGP-OALUTQOASA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001717968672 1421740316 /nfs/dbraw/zinc/74/03/16/1421740316.db2.gz FMEFGLUBOZDYCF-MSOLQXFVSA-N 2 0 337.552 3.338 10 30 EGEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001717978636 1421749792 /nfs/dbraw/zinc/74/97/92/1421749792.db2.gz CSHNBRNBABYAAY-IEBWSBKVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001733402098 1429597456 /nfs/dbraw/zinc/59/74/56/1429597456.db2.gz HMRMIFYDQINFIO-GHTZIAJQSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001733424800 1429631781 /nfs/dbraw/zinc/63/17/81/1429631781.db2.gz FYZGUIJYOXXSRJ-WIYYLYMNSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001723640320 1424506659 /nfs/dbraw/zinc/50/66/59/1424506659.db2.gz MSCIIYCBBYUQGZ-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH+]1CCC(C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001724291487 1424775624 /nfs/dbraw/zinc/77/56/24/1424775624.db2.gz GAFODLIPPBYQGG-UHFFFAOYSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001724340203 1424832435 /nfs/dbraw/zinc/83/24/35/1424832435.db2.gz HJFLBBOOGDVHRL-WIYYLYMNSA-N 2 0 349.563 3.291 10 30 EGEERP 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 1424935241 /nfs/dbraw/zinc/93/52/41/1424935241.db2.gz WGRADVFKPHILNH-FSGKZVOOSA-N 2 0 347.547 3.185 10 30 EGEERP CCCCCCC[NH+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001724760561 1425131928 /nfs/dbraw/zinc/13/19/28/1425131928.db2.gz RIQMBYVERUMOFF-UHFFFAOYSA-N 2 0 349.563 3.223 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001724843817 1425193345 /nfs/dbraw/zinc/19/33/45/1425193345.db2.gz LUFBGNVEOGBPBB-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001725136368 1425610740 /nfs/dbraw/zinc/61/07/40/1425610740.db2.gz ICYWRQGMMAOAPR-QHGAOEGBSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001725420438 1426069663 /nfs/dbraw/zinc/06/96/63/1426069663.db2.gz KRQDLOUKKGYISL-SFHVURJKSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001731542147 1427553088 /nfs/dbraw/zinc/55/30/88/1427553088.db2.gz DXRWZPBJHLQIHO-RTBURBONSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731717808 1427782243 /nfs/dbraw/zinc/78/22/43/1427782243.db2.gz XSSCKJJRGDYWCF-GOSISDBHSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001733804489 1430073863 /nfs/dbraw/zinc/07/38/63/1430073863.db2.gz CNVFJAKPTPZGAG-GOSISDBHSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@H+](C)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001734274623 1438009191 /nfs/dbraw/zinc/00/91/91/1438009191.db2.gz PJXAJEFQQHHOQE-SFHVURJKSA-N 2 0 337.552 3.221 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1(C)C ZINC001734493478 1438131152 /nfs/dbraw/zinc/13/11/52/1438131152.db2.gz BCMMHJLJBRUDQY-SFHVURJKSA-N 2 0 349.563 3.432 10 30 EGEERP CCCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC001734497442 1438133045 /nfs/dbraw/zinc/13/30/45/1438133045.db2.gz REEKHWNXIYNSDL-MOPGFXCFSA-N 2 0 349.563 3.125 10 30 EGEERP C=C(C)CC[NH+]1CC=C(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001734625030 1438190362 /nfs/dbraw/zinc/19/03/62/1438190362.db2.gz JEOXKMJWKSTNJI-UHFFFAOYSA-N 2 0 347.547 3.354 10 30 EGEERP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000518542446 267004401 /nfs/dbraw/zinc/00/44/01/267004401.db2.gz WABWSMILPLDPLG-UHFFFAOYSA-N 2 0 344.459 3.410 10 30 EGEERP C=CCSCC[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000236783372 456184510 /nfs/dbraw/zinc/18/45/10/456184510.db2.gz DDLGQFQTHYAFIS-UHFFFAOYSA-N 2 0 333.545 3.227 10 30 EGEERP N#Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ccn1 ZINC000611194880 460306037 /nfs/dbraw/zinc/30/60/37/460306037.db2.gz DGIQSUATBCTJPF-UHFFFAOYSA-N 2 0 346.478 3.441 10 30 EGEERP C=CCc1cc(C[NH2+]Cc2ccccc2C[NH2+]C)cc(OC)c1O ZINC000650719362 461911941 /nfs/dbraw/zinc/91/19/41/461911941.db2.gz NSCYUTGRKKIAEK-UHFFFAOYSA-N 2 0 326.440 3.139 10 30 EGEERP C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000651663402 462295090 /nfs/dbraw/zinc/29/50/90/462295090.db2.gz KBXUWVKTNCGMSB-PXNSSMCTSA-N 2 0 328.500 3.478 10 30 EGEERP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000651758674 462326583 /nfs/dbraw/zinc/32/65/83/462326583.db2.gz JNAMPMMZTCNBEV-QMMLZNLJSA-N 2 0 328.500 3.478 10 30 EGEERP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC2CCCCC2)[C@H]1c1cccs1 ZINC000252486422 1296461423 /nfs/dbraw/zinc/46/14/23/1296461423.db2.gz JYOLFIDLWONDII-PBHICJAKSA-N 2 0 334.533 3.368 10 30 EGEERP COc1cc(CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1C#N ZINC000705661883 1298214532 /nfs/dbraw/zinc/21/45/32/1298214532.db2.gz GYKQWFHSTDICFS-SFTDATJTSA-N 2 0 347.462 3.131 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000876719551 1298935947 /nfs/dbraw/zinc/93/59/47/1298935947.db2.gz ODVBKLWYFVUICZ-QGZVFWFLSA-N 2 0 335.879 3.327 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000876737712 1298950582 /nfs/dbraw/zinc/95/05/82/1298950582.db2.gz WEBHHCUDYIVTQU-NXHRZFHOSA-N 2 0 349.906 3.140 10 30 EGEERP C=CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000883188029 1302293963 /nfs/dbraw/zinc/29/39/63/1302293963.db2.gz BNOPKSDLTDTGST-RTWAWAEBSA-N 2 0 341.543 3.322 10 30 EGEERP C=CCC[C@H](Cc1ccccc1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000883194753 1302299353 /nfs/dbraw/zinc/29/93/53/1302299353.db2.gz CATDBIRDOYLTJH-HXUWFJFHSA-N 2 0 329.532 3.180 10 30 EGEERP C=CCC[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)[C@@H]1CCCO1 ZINC000883202415 1302301851 /nfs/dbraw/zinc/30/18/51/1302301851.db2.gz AIGJHQARLLCJON-MOPGFXCFSA-N 2 0 336.520 3.125 10 30 EGEERP C#Cc1ccc(NC(=O)CC[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000930146455 1328797942 /nfs/dbraw/zinc/79/79/42/1328797942.db2.gz UDQOVELKGDMNBZ-UHFFFAOYSA-N 2 0 341.499 3.050 10 30 EGEERP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000923428096 1322750924 /nfs/dbraw/zinc/75/09/24/1322750924.db2.gz WEJIGJHZDSLZDD-IOMROCGXSA-N 2 0 341.499 3.211 10 30 EGEERP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801662 1331199859 /nfs/dbraw/zinc/19/98/59/1331199859.db2.gz WEXGOEXUTPCXRC-RBUKOAKNSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001323871014 1387483471 /nfs/dbraw/zinc/48/34/71/1387483471.db2.gz ATNOAIDHJHBCPC-FPOVZHCZSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001324482731 1387641018 /nfs/dbraw/zinc/64/10/18/1387641018.db2.gz NDPGFWWWYUKPAR-MJGOQNOKSA-N 2 0 347.547 3.234 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001326490690 1388215218 /nfs/dbraw/zinc/21/52/18/1388215218.db2.gz SQAWOGMWKNJANC-IEBWSBKVSA-N 2 0 343.515 3.261 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001284101452 1379472773 /nfs/dbraw/zinc/47/27/73/1379472773.db2.gz JGZSFSMYFNATLF-SLFFLAALSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001328049941 1388654003 /nfs/dbraw/zinc/65/40/03/1388654003.db2.gz JBLWHJMYYCGTFZ-UHFFFAOYSA-N 2 0 349.906 3.085 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)C ZINC001328467369 1388754856 /nfs/dbraw/zinc/75/48/56/1388754856.db2.gz DSPCBAXJDZZXBC-YLJYHZDGSA-N 2 0 343.515 3.008 10 30 EGEERP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001316717266 1384535760 /nfs/dbraw/zinc/53/57/60/1384535760.db2.gz PKRSOXBVTJDEKI-UYAOXDASSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001317678135 1385386253 /nfs/dbraw/zinc/38/62/53/1385386253.db2.gz VPTHFMJCMKNZCG-QUCCMNQESA-N 2 0 349.563 3.290 10 30 EGEERP C=CC[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CCCCC1 ZINC001319657520 1386237217 /nfs/dbraw/zinc/23/72/17/1386237217.db2.gz RUOBUQOLDWWAFG-LJQANCHMSA-N 2 0 340.471 3.097 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001319662196 1386241940 /nfs/dbraw/zinc/24/19/40/1386241940.db2.gz HBUWBCPCCSJQFG-HKUYNNGSSA-N 2 0 347.547 3.092 10 30 EGEERP CCCCCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001319693999 1386255160 /nfs/dbraw/zinc/25/51/60/1386255160.db2.gz AAFJMJUZEWDSSI-MOPGFXCFSA-N 2 0 349.563 3.412 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001322231655 1387112655 /nfs/dbraw/zinc/11/26/55/1387112655.db2.gz UHITXLBILACEBN-IEBWSBKVSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001480079811 1392569418 /nfs/dbraw/zinc/56/94/18/1392569418.db2.gz PMIYVFORRHKTNG-UXHICEINSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCCCC[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001480257679 1392641534 /nfs/dbraw/zinc/64/15/34/1392641534.db2.gz UDRWDXJAONRSPD-LJQANCHMSA-N 2 0 347.547 3.189 10 30 EGEERP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001480410519 1392746440 /nfs/dbraw/zinc/74/64/40/1392746440.db2.gz MGGDTVBMMLCOMT-SOAGJPPSSA-N 2 0 343.515 3.273 10 30 EGEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001481332229 1393165404 /nfs/dbraw/zinc/16/54/04/1393165404.db2.gz BJILVCRRZKUOCV-KRWDZBQOSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001481332230 1393165440 /nfs/dbraw/zinc/16/54/40/1393165440.db2.gz BJILVCRRZKUOCV-QGZVFWFLSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001481335936 1393166125 /nfs/dbraw/zinc/16/61/25/1393166125.db2.gz SXUVUNASIRZREJ-GOSISDBHSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001481342116 1393168588 /nfs/dbraw/zinc/16/85/88/1393168588.db2.gz CWXPFSAZMYQJLM-QUCCMNQESA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001482070921 1394733401 /nfs/dbraw/zinc/73/34/01/1394733401.db2.gz YACDFEJLSUJSFW-RBUKOAKNSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001482439817 1395000080 /nfs/dbraw/zinc/00/00/80/1395000080.db2.gz VZTIODIKGPRQRY-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001482495642 1395047304 /nfs/dbraw/zinc/04/73/04/1395047304.db2.gz RWESNYXWRVMSRO-PKOBYXMFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001483836745 1395104319 /nfs/dbraw/zinc/10/43/19/1395104319.db2.gz KJUFMVQQCLFOLF-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001484325833 1395342556 /nfs/dbraw/zinc/34/25/56/1395342556.db2.gz YVGUWWCWJNVDMH-HXUWFJFHSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001698988432 1406774388 /nfs/dbraw/zinc/77/43/88/1406774388.db2.gz BFOBUELRCSUXPE-HKUYNNGSSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCCC1 ZINC001485449288 1395916359 /nfs/dbraw/zinc/91/63/59/1395916359.db2.gz KFRUTIOLNKRGPL-RBUKOAKNSA-N 2 0 347.547 3.378 10 30 EGEERP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001485449289 1395916414 /nfs/dbraw/zinc/91/64/14/1395916414.db2.gz KFRUTIOLNKRGPL-RTBURBONSA-N 2 0 347.547 3.378 10 30 EGEERP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001485449286 1395916727 /nfs/dbraw/zinc/91/67/27/1395916727.db2.gz KFRUTIOLNKRGPL-MOPGFXCFSA-N 2 0 347.547 3.378 10 30 EGEERP C=C(C)C[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001485768732 1396146637 /nfs/dbraw/zinc/14/66/37/1396146637.db2.gz YOYQXIDZLULVIM-FQEVSTJZSA-N 2 0 343.515 3.055 10 30 EGEERP C=CCCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001502730460 1396221921 /nfs/dbraw/zinc/22/19/21/1396221921.db2.gz AAUDMFNVRJKIKD-HKUYNNGSSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001502947651 1396234708 /nfs/dbraw/zinc/23/47/08/1396234708.db2.gz FPOUQJDLACOBAE-OALUTQOASA-N 2 0 347.547 3.330 10 30 EGEERP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001690281950 1404444576 /nfs/dbraw/zinc/44/45/76/1404444576.db2.gz OKSXHROYKGPXFX-QAQDUYKDSA-N 2 0 340.471 3.240 10 30 EGEERP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001690450510 1404575379 /nfs/dbraw/zinc/57/53/79/1404575379.db2.gz KWEHMSZIUGJZBO-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001691086608 1405020387 /nfs/dbraw/zinc/02/03/87/1405020387.db2.gz UPYKIKRDTHMYGT-RDJZCZTQSA-N 2 0 340.471 3.192 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001691591729 1405349486 /nfs/dbraw/zinc/34/94/86/1405349486.db2.gz OALUTQXSOPFOHQ-DOTOQJQBSA-N 2 0 349.544 3.264 10 30 EGEERP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001691690909 1405426014 /nfs/dbraw/zinc/42/60/14/1405426014.db2.gz WVOKVQCVVKGIFB-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001732313623 1428525606 /nfs/dbraw/zinc/52/56/06/1428525606.db2.gz GRKXPDPDMRAOPP-VJANTYMQSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001732313622 1428525663 /nfs/dbraw/zinc/52/56/63/1428525663.db2.gz GRKXPDPDMRAOPP-NCXUSEDFSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001732531759 1428652663 /nfs/dbraw/zinc/65/26/63/1428652663.db2.gz ZUSAEMKWKLTZSK-ROUUACIJSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001699680331 1413074790 /nfs/dbraw/zinc/07/47/90/1413074790.db2.gz MPSKOFOGDADMLT-MVCQKVDPSA-N 2 0 335.536 3.183 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001700196330 1413638004 /nfs/dbraw/zinc/63/80/04/1413638004.db2.gz DEGNNARUFSXHEI-WOJBJXKFSA-N 2 0 349.563 3.245 10 30 EGEERP C=C(C)CC[NH+]1Cc2ccc(CNC(=O)C[N@@H+](C)C3CCC3)cc2C1 ZINC001700252411 1413699592 /nfs/dbraw/zinc/69/95/92/1413699592.db2.gz JTJKHMCKFNJASJ-UHFFFAOYSA-N 2 0 341.499 3.069 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001700359666 1413868980 /nfs/dbraw/zinc/86/89/80/1413868980.db2.gz RSBQMZWZIVRFBB-QZTJIDSGSA-N 2 0 337.552 3.242 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]21 ZINC001732603891 1428855553 /nfs/dbraw/zinc/85/55/53/1428855553.db2.gz AEWQNQSGRUFRDY-QUCCMNQESA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001713101340 1417654763 /nfs/dbraw/zinc/65/47/63/1417654763.db2.gz RQTDMPXBOYOKON-AZUAARDMSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001713101343 1417654884 /nfs/dbraw/zinc/65/48/84/1417654884.db2.gz RQTDMPXBOYOKON-UYAOXDASSA-N 2 0 347.547 3.282 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001713442090 1418077736 /nfs/dbraw/zinc/07/77/36/1418077736.db2.gz GDJCSXCNALFXNJ-HXUWFJFHSA-N 2 0 343.515 3.299 10 30 EGEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001713702311 1418460086 /nfs/dbraw/zinc/46/00/86/1418460086.db2.gz UAXDNARCASHAKT-IHPCNDPISA-N 2 0 343.515 3.130 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713750995 1418552010 /nfs/dbraw/zinc/55/20/10/1418552010.db2.gz KZABXJWMHFIECW-SFHVURJKSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001713764852 1418577443 /nfs/dbraw/zinc/57/74/43/1418577443.db2.gz RSARHWIFADAZGK-WOJBJXKFSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001713855106 1418652025 /nfs/dbraw/zinc/65/20/25/1418652025.db2.gz NIHZXJUTQVEITE-OALUTQOASA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001713855107 1418652225 /nfs/dbraw/zinc/65/22/25/1418652225.db2.gz NIHZXJUTQVEITE-RBUKOAKNSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713899849 1418699649 /nfs/dbraw/zinc/69/96/49/1418699649.db2.gz KTQNUEAUHNRLLP-UXHICEINSA-N 2 0 349.563 3.243 10 30 EGEERP CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001713911316 1418707711 /nfs/dbraw/zinc/70/77/11/1418707711.db2.gz BWILTDYNTXJCFE-BGYRXZFFSA-N 2 0 349.563 3.364 10 30 EGEERP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001714405639 1419147238 /nfs/dbraw/zinc/14/72/38/1419147238.db2.gz CTVOYGWHYDAMMZ-QZTJIDSGSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001714413451 1419151685 /nfs/dbraw/zinc/15/16/85/1419151685.db2.gz XAAHWXNPWJPCIA-PMACEKPBSA-N 2 0 347.547 3.092 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CCCCC1 ZINC001714977939 1419712588 /nfs/dbraw/zinc/71/25/88/1419712588.db2.gz PECBWJJWDIIWLT-PMACEKPBSA-N 2 0 349.563 3.339 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CCCCC1 ZINC001714977944 1419712923 /nfs/dbraw/zinc/71/29/23/1419712923.db2.gz PECBWJJWDIIWLT-WOJBJXKFSA-N 2 0 349.563 3.339 10 30 EGEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001715144623 1419890697 /nfs/dbraw/zinc/89/06/97/1419890697.db2.gz JHOGUKSAAFBEGH-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001715460027 1420140407 /nfs/dbraw/zinc/14/04/07/1420140407.db2.gz OHDOTYVCXRLNHA-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001715462642 1420142083 /nfs/dbraw/zinc/14/20/83/1420142083.db2.gz WXYLUXHZWODTDY-IBGZPJMESA-N 2 0 335.536 3.189 10 30 EGEERP C=CCCCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001715468944 1420147930 /nfs/dbraw/zinc/14/79/30/1420147930.db2.gz DCJALRUDCIKION-QUCCMNQESA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001716052938 1420517884 /nfs/dbraw/zinc/51/78/84/1420517884.db2.gz HFZHJTBQXPVCTP-VQTJNVASSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)C1 ZINC001716704647 1420858821 /nfs/dbraw/zinc/85/88/21/1420858821.db2.gz YNTOSFYSISNXEP-UXHICEINSA-N 2 0 349.563 3.243 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001717042041 1421096477 /nfs/dbraw/zinc/09/64/77/1421096477.db2.gz DEQWKKLQJVACGO-SLFFLAALSA-N 2 0 349.563 3.221 10 30 EGEERP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001717112378 1421116012 /nfs/dbraw/zinc/11/60/12/1421116012.db2.gz FGCDZDODYAWIOW-FQEVSTJZSA-N 2 0 343.515 3.185 10 30 EGEERP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001717115662 1421119849 /nfs/dbraw/zinc/11/98/49/1421119849.db2.gz OMJABFJWOYGFLE-MRXNPFEDSA-N 2 0 329.488 3.014 10 30 EGEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001717357227 1421292457 /nfs/dbraw/zinc/29/24/57/1421292457.db2.gz CHDHRXQFPZMLNF-HXUWFJFHSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001717447387 1421376976 /nfs/dbraw/zinc/37/69/76/1421376976.db2.gz KRGXJFRQZKWHHD-QLOJAFMTSA-N 2 0 347.547 3.329 10 30 EGEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001717978612 1421749662 /nfs/dbraw/zinc/74/96/62/1421749662.db2.gz BOOLMAAXTZOIIR-UYAOXDASSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001733354082 1429534814 /nfs/dbraw/zinc/53/48/14/1429534814.db2.gz YORDSNUUUGUZOB-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CCCCCC1 ZINC001723640779 1424507348 /nfs/dbraw/zinc/50/73/48/1424507348.db2.gz LHXABYXXNMZTQQ-UHFFFAOYSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001724342633 1424838621 /nfs/dbraw/zinc/83/86/21/1424838621.db2.gz BJOJVOPZYBQHPL-TZIWHRDSSA-N 2 0 349.563 3.291 10 30 EGEERP CCCCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001724535861 1424899184 /nfs/dbraw/zinc/89/91/84/1424899184.db2.gz NFZJLJVFMATRAT-OALUTQOASA-N 2 0 349.563 3.412 10 30 EGEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001724743121 1425110955 /nfs/dbraw/zinc/11/09/55/1425110955.db2.gz MVKBZVACBLLPPB-YLJYHZDGSA-N 2 0 343.515 3.402 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001724848142 1425204199 /nfs/dbraw/zinc/20/41/99/1425204199.db2.gz ZLVHDCJLIIARCF-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001724900543 1425295334 /nfs/dbraw/zinc/29/53/34/1425295334.db2.gz TZKBOVDSAICMHS-OAQYLSRUSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001724936009 1425320528 /nfs/dbraw/zinc/32/05/28/1425320528.db2.gz NULSTNBYYFSLSN-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001724972866 1425374054 /nfs/dbraw/zinc/37/40/54/1425374054.db2.gz VITOQCBNYRFQHW-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001724981244 1425383354 /nfs/dbraw/zinc/38/33/54/1425383354.db2.gz XOBCQFUYLOQRAN-RBUKOAKNSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001725057795 1425496464 /nfs/dbraw/zinc/49/64/64/1425496464.db2.gz KKZHGFJXIUHQMJ-OALUTQOASA-N 2 0 349.563 3.101 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001725255434 1425879771 /nfs/dbraw/zinc/87/97/71/1425879771.db2.gz LGNUOYIMRBEEOX-HUUCEWRRSA-N 2 0 340.471 3.048 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)(C)C ZINC001725756489 1426435962 /nfs/dbraw/zinc/43/59/62/1426435962.db2.gz JYUWGXHDKUWSCJ-ROUUACIJSA-N 2 0 337.552 3.194 10 30 EGEERP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001731377945 1427312556 /nfs/dbraw/zinc/31/25/56/1427312556.db2.gz OLXWIMBSLRRNCL-GOSISDBHSA-N 2 0 347.547 3.186 10 30 EGEERP C=CC[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001731560487 1427595271 /nfs/dbraw/zinc/59/52/71/1427595271.db2.gz UZJZBKWKCNCUCF-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001731564195 1427601965 /nfs/dbraw/zinc/60/19/65/1427601965.db2.gz KNGVBWFGAMUIRX-CENDIDJXSA-N 2 0 347.547 3.020 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001731659914 1427712861 /nfs/dbraw/zinc/71/28/61/1427712861.db2.gz MPYPOLUORBMJQS-RBUKOAKNSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001731699474 1427750522 /nfs/dbraw/zinc/75/05/22/1427750522.db2.gz VSYXEOHNOQPNQB-PMACEKPBSA-N 2 0 343.515 3.345 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001731826375 1428030794 /nfs/dbraw/zinc/03/07/94/1428030794.db2.gz CLCYJIGJFQDETJ-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001733907717 1437726755 /nfs/dbraw/zinc/72/67/55/1437726755.db2.gz VNOOPAACPFIWJA-HXUWFJFHSA-N 2 0 343.515 3.008 10 30 EGEERP C=C(C)CC[NH2+][C@H](CCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001734081285 1437868510 /nfs/dbraw/zinc/86/85/10/1437868510.db2.gz ZIGRWHAEFYMFRL-LJQANCHMSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCCC1 ZINC001734090294 1437874649 /nfs/dbraw/zinc/87/46/49/1437874649.db2.gz FEKCXXCGYZIFMS-GOSISDBHSA-N 2 0 335.536 3.093 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001734104502 1437890328 /nfs/dbraw/zinc/89/03/28/1437890328.db2.gz VXMLESLLKXEFFE-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cc2)C1 ZINC000600716557 460576731 /nfs/dbraw/zinc/57/67/31/460576731.db2.gz HEXHBDJSAGPUPH-PXNSSMCTSA-N 2 0 341.499 3.063 10 30 EGEERP C=CCOc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000246091712 455424721 /nfs/dbraw/zinc/42/47/21/455424721.db2.gz IRMVUJKGOFSADI-ZWKOTPCHSA-N 2 0 330.472 3.176 10 30 EGEERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000397552538 457488430 /nfs/dbraw/zinc/48/84/30/457488430.db2.gz YRXQGSQTQAMYGY-GOSISDBHSA-N 2 0 349.478 3.236 10 30 EGEERP N#CCc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000592470826 459608952 /nfs/dbraw/zinc/60/89/52/459608952.db2.gz KJBXTLIZDQMXPE-CTNGQTDRSA-N 2 0 333.435 3.098 10 30 EGEERP N#CCc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000592470827 459609192 /nfs/dbraw/zinc/60/91/92/459609192.db2.gz KJBXTLIZDQMXPE-FPOVZHCZSA-N 2 0 333.435 3.098 10 30 EGEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)C(C)C ZINC000662380371 461222620 /nfs/dbraw/zinc/22/26/20/461222620.db2.gz KSSIZCKUQHQPIL-UXHICEINSA-N 2 0 341.499 3.036 10 30 EGEERP C=CC[C@@H]1CC[C@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000651663448 462295209 /nfs/dbraw/zinc/29/52/09/462295209.db2.gz LKMABFANCNXXPD-HLAWJBBLSA-N 2 0 327.516 3.310 10 30 EGEERP C#CCCCCC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000879019004 1300321883 /nfs/dbraw/zinc/32/18/83/1300321883.db2.gz MDKJFZKZZVDIOL-HXUWFJFHSA-N 2 0 329.488 3.180 10 30 EGEERP CC[C@H](C#N)Oc1cc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)ccc1OC ZINC000858136863 1328692505 /nfs/dbraw/zinc/69/25/05/1328692505.db2.gz WPKDBCCVXCTOKS-IAGOWNOFSA-N 2 0 345.487 3.339 10 30 EGEERP C=CC1(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCCCC1 ZINC000932577937 1329824471 /nfs/dbraw/zinc/82/44/71/1329824471.db2.gz TUQJOSINKSZVGT-LJQANCHMSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940780403 1331191130 /nfs/dbraw/zinc/19/11/30/1331191130.db2.gz QEJNKFCJOXXHRZ-INIZCTEOSA-N 2 0 349.544 3.216 10 30 EGEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941075949 1331321874 /nfs/dbraw/zinc/32/18/74/1331321874.db2.gz RKCDHQRTAVWQTR-QZTJIDSGSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001324328827 1387592550 /nfs/dbraw/zinc/59/25/50/1387592550.db2.gz IYOFTGIRWIWNLW-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001324328824 1387592631 /nfs/dbraw/zinc/59/26/31/1387592631.db2.gz IYOFTGIRWIWNLW-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001325476731 1387987041 /nfs/dbraw/zinc/98/70/41/1387987041.db2.gz QLWQMRFAPCCBRE-IAGOWNOFSA-N 2 0 347.503 3.138 10 30 EGEERP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001325954204 1388097040 /nfs/dbraw/zinc/09/70/40/1388097040.db2.gz AVIUJOCHJPOLQR-VQTJNVASSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001327309957 1388495151 /nfs/dbraw/zinc/49/51/51/1388495151.db2.gz ZWWAQIPTXJZKHZ-VQTJNVASSA-N 2 0 349.563 3.388 10 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C=CCCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001328083527 1388666181 /nfs/dbraw/zinc/66/61/81/1388666181.db2.gz VMQCKCDUFGZEPD-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001316768847 1384568120 /nfs/dbraw/zinc/56/81/20/1384568120.db2.gz BGYBZJAJVXDFJY-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001317050019 1384826592 /nfs/dbraw/zinc/82/65/92/1384826592.db2.gz PKLDRAHGZYMDEH-FGYAAKKASA-N 2 0 347.547 3.281 10 30 EGEERP C=CCC[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317208827 1384985669 /nfs/dbraw/zinc/98/56/69/1384985669.db2.gz LUOBHTXSCNTKOU-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317524723 1385243285 /nfs/dbraw/zinc/24/32/85/1385243285.db2.gz BIWCEGJIPTXNDK-NVXWUHKLSA-N 2 0 340.471 3.049 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 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HIXLNCGAQUOZTQ-ROUUACIJSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001479578810 1392280414 /nfs/dbraw/zinc/28/04/14/1392280414.db2.gz AGBSOKSGWUOQIR-AABGKKOBSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001480384069 1392728935 /nfs/dbraw/zinc/72/89/35/1392728935.db2.gz USEHQAODGGJONR-QZTJIDSGSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001480701313 1392864419 /nfs/dbraw/zinc/86/44/19/1392864419.db2.gz KKHGNQOGFUGYPC-MOPGFXCFSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001481360363 1394199730 /nfs/dbraw/zinc/19/97/30/1394199730.db2.gz RBEPOBXNONMKLC-VQTJNVASSA-N 2 0 343.515 3.085 10 30 EGEERP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001482016847 1394673691 /nfs/dbraw/zinc/67/36/91/1394673691.db2.gz OAAXKYUDSXFWMG-BJLQDIEVSA-N 2 0 347.547 3.377 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001482434758 1394995999 /nfs/dbraw/zinc/99/59/99/1394995999.db2.gz YJSGBEIYIQLJGW-VQTJNVASSA-N 2 0 349.563 3.291 10 30 EGEERP CCCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001484100986 1395250345 /nfs/dbraw/zinc/25/03/45/1395250345.db2.gz PMBZWROAJRWJGH-ICSRJNTNSA-N 2 0 337.552 3.269 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001484397194 1395366273 /nfs/dbraw/zinc/36/62/73/1395366273.db2.gz BPJDARYWZDNLGN-VAMGGRTRSA-N 2 0 349.563 3.195 10 30 EGEERP C=CCCC[NH2+]CC1(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001485459039 1395931369 /nfs/dbraw/zinc/93/13/69/1395931369.db2.gz KNSZRKZSKAGPBN-QZTJIDSGSA-N 2 0 335.536 3.234 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001485570866 1396036135 /nfs/dbraw/zinc/03/61/35/1396036135.db2.gz UNQXGQSXQSMFQA-RTBURBONSA-N 2 0 349.563 3.125 10 30 EGEERP C=CCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001485658879 1396088509 /nfs/dbraw/zinc/08/85/09/1396088509.db2.gz ZQKUZSAVHXSMRC-ZCNNSNEGSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001505396331 1396284543 /nfs/dbraw/zinc/28/45/43/1396284543.db2.gz FXFDFCANQYPTRI-UHFFFAOYSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001496349937 1396660075 /nfs/dbraw/zinc/66/00/75/1396660075.db2.gz GKXPIWAJJHXWIT-ICSRJNTNSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001689265182 1396997038 /nfs/dbraw/zinc/99/70/38/1396997038.db2.gz PKJQTYFVWPCUHU-WOJBJXKFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001690473524 1404596837 /nfs/dbraw/zinc/59/68/37/1404596837.db2.gz XOSMDSHOGLFHIG-RBUKOAKNSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691440207 1405270220 /nfs/dbraw/zinc/27/02/20/1405270220.db2.gz BLTJKUBMBWSIGP-QRVBRYPASA-N 2 0 347.547 3.092 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001691904968 1405627923 /nfs/dbraw/zinc/62/79/23/1405627923.db2.gz LSYUNSOLUUPJBB-ICSRJNTNSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001692264004 1405895640 /nfs/dbraw/zinc/89/56/40/1405895640.db2.gz XFRPNFCQRTWTQQ-IBGZPJMESA-N 2 0 335.536 3.142 10 30 EGEERP CCCCCCC[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001692339820 1405958636 /nfs/dbraw/zinc/95/86/36/1405958636.db2.gz AJBKVIKMSKEUKN-RTBURBONSA-N 2 0 335.536 3.022 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001732023540 1428241435 /nfs/dbraw/zinc/24/14/35/1428241435.db2.gz SZVBCRHGBVCJNG-YLJYHZDGSA-N 2 0 343.515 3.130 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001732525638 1428645231 /nfs/dbraw/zinc/64/52/31/1428645231.db2.gz ADGJVHGVJYUDCJ-PXNSSMCTSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1CC ZINC001699605572 1412969297 /nfs/dbraw/zinc/96/92/97/1412969297.db2.gz KGWIICYELDZPGY-DOTOQJQBSA-N 2 0 349.544 3.216 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001700177942 1413587307 /nfs/dbraw/zinc/58/73/07/1413587307.db2.gz TZVQLCULPQHBKM-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)(C)C ZINC001700995172 1414642484 /nfs/dbraw/zinc/64/24/84/1414642484.db2.gz GECFCCMVIBSVSI-ZWKOTPCHSA-N 2 0 337.552 3.336 10 30 EGEERP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001733037035 1429163170 /nfs/dbraw/zinc/16/31/70/1429163170.db2.gz CGKASUWPJOXIST-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001707107558 1417204182 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GBBZHFWBWULJMQ-SLFFLAALSA-N 2 0 349.563 3.364 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001717120411 1421124256 /nfs/dbraw/zinc/12/42/56/1421124256.db2.gz BLZSAEGWXCGMEX-BZSNNMDCSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001717202357 1421170335 /nfs/dbraw/zinc/17/03/35/1421170335.db2.gz RBFMKZXHZDZYHK-UXHICEINSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001717526460 1421462098 /nfs/dbraw/zinc/46/20/98/1421462098.db2.gz DCYTXKLFHOUXOM-ROUUACIJSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001717536971 1421474848 /nfs/dbraw/zinc/47/48/48/1421474848.db2.gz UPMZOKNNURJMDL-CEXWTWQISA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001717560979 1421497242 /nfs/dbraw/zinc/49/72/42/1421497242.db2.gz YDMGTKMZXYVMTH-XLIONFOSSA-N 2 0 343.515 3.082 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717681483 1421563956 /nfs/dbraw/zinc/56/39/56/1421563956.db2.gz FXFSCDVGDPDNHT-MJGOQNOKSA-N 2 0 335.536 3.234 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001717874215 1421681781 /nfs/dbraw/zinc/68/17/81/1421681781.db2.gz ADBCQDJJBPXAKW-DLBZAZTESA-N 2 0 340.471 3.097 10 30 EGEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001717968673 1421740344 /nfs/dbraw/zinc/74/03/44/1421740344.db2.gz FMEFGLUBOZDYCF-QZTJIDSGSA-N 2 0 337.552 3.338 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001724340201 1424832152 /nfs/dbraw/zinc/83/21/52/1424832152.db2.gz HJFLBBOOGDVHRL-RXVVDRJESA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001724936010 1425320613 /nfs/dbraw/zinc/32/06/13/1425320613.db2.gz NULSTNBYYFSLSN-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)(C)C ZINC001725756492 1426435820 /nfs/dbraw/zinc/43/58/20/1426435820.db2.gz JYUWGXHDKUWSCJ-ZWKOTPCHSA-N 2 0 337.552 3.194 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001725769598 1426453543 /nfs/dbraw/zinc/45/35/43/1426453543.db2.gz JSMRTBSPKXCZIE-LNLFQRSKSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001731470938 1427450742 /nfs/dbraw/zinc/45/07/42/1427450742.db2.gz MEYLMUOFSKNTAQ-VQTJNVASSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001731542144 1427552164 /nfs/dbraw/zinc/55/21/64/1427552164.db2.gz DXRWZPBJHLQIHO-OALUTQOASA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001731699475 1427750424 /nfs/dbraw/zinc/75/04/24/1427750424.db2.gz VSYXEOHNOQPNQB-UXHICEINSA-N 2 0 343.515 3.345 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001731715588 1427778900 /nfs/dbraw/zinc/77/89/00/1427778900.db2.gz QMXIZBOXXVOPJR-MOPGFXCFSA-N 2 0 347.547 3.140 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001733600003 1429802874 /nfs/dbraw/zinc/80/28/74/1429802874.db2.gz GKDGYYIMUXRQAZ-VQTJNVASSA-N 2 0 349.563 3.221 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001733604716 1429814407 /nfs/dbraw/zinc/81/44/07/1429814407.db2.gz YNGQZNHHFQAGHJ-GBESFXJTSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001733783058 1430050903 /nfs/dbraw/zinc/05/09/03/1430050903.db2.gz VSRWUKKXXWRJPL-UXHICEINSA-N 2 0 349.563 3.245 10 30 EGEERP CC#CC[NH2+]C1(CC)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001733805703 1430076420 /nfs/dbraw/zinc/07/64/20/1430076420.db2.gz RFQNFVUOZJAUTF-UHFFFAOYSA-N 2 0 347.547 3.024 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001733897188 1437714864 /nfs/dbraw/zinc/71/48/64/1437714864.db2.gz CLTNIOKXBVAQLI-RDJZCZTQSA-N 2 0 349.544 3.359 10 30 EGEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001734021355 1437810055 /nfs/dbraw/zinc/81/00/55/1437810055.db2.gz GTYBXTYXOKGOOV-LJQANCHMSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001734146205 1437914538 /nfs/dbraw/zinc/91/45/38/1437914538.db2.gz OZXOYWFKBZFOKI-RTBURBONSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC001734494064 1438131609 /nfs/dbraw/zinc/13/16/09/1438131609.db2.gz NWXYJZNZYMINHJ-MOPGFXCFSA-N 2 0 349.563 3.432 10 30 EGEERP CC1CC[NH+](Cc2cccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)c2)CC1 ZINC000600723940 460580576 /nfs/dbraw/zinc/58/05/76/460580576.db2.gz QOHITRSYGASGGE-HXUWFJFHSA-N 2 0 341.499 3.063 10 30 EGEERP N#Cc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000595895820 459479938 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3.373 10 30 EGEERP C=CCC[C@H](Cc1ccccc1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000883170117 1302283333 /nfs/dbraw/zinc/28/33/33/1302283333.db2.gz LRNQNZOFXKGKFG-HXUWFJFHSA-N 2 0 329.532 3.180 10 30 EGEERP C#CC[C@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@H](CC#C)C3)c2)C1 ZINC000886365731 1303449115 /nfs/dbraw/zinc/44/91/15/1303449115.db2.gz OLJUUHPJUJRJRW-PMACEKPBSA-N 2 0 345.490 3.249 10 30 EGEERP Cc1cc(C#N)cc(C)c1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000921759988 1322393967 /nfs/dbraw/zinc/39/39/67/1322393967.db2.gz NOGIJPYSRIOSTI-QZTJIDSGSA-N 2 0 329.488 3.154 10 30 EGEERP Cc1cc(C#N)cc(C)c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000922235621 1322484543 /nfs/dbraw/zinc/48/45/43/1322484543.db2.gz XEXFFPADKWYEHV-UHFFFAOYSA-N 2 0 341.499 3.156 10 30 EGEERP C=CCC[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccco1 ZINC000925812928 1325312298 /nfs/dbraw/zinc/31/22/98/1325312298.db2.gz DIWRHXDXXDSVJI-HXUWFJFHSA-N 2 0 339.483 3.482 10 30 EGEERP CC(=NNc1cc[nH+]cc1C)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000863157116 1329530933 /nfs/dbraw/zinc/53/09/33/1329530933.db2.gz IUPFQIHOCGIGMQ-UHFFFAOYSA-N 2 0 338.455 3.340 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941138510 1331349728 /nfs/dbraw/zinc/34/97/28/1331349728.db2.gz LFCGIIJBCDAJJL-IBGZPJMESA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CCCCCC1 ZINC001323721382 1387431291 /nfs/dbraw/zinc/43/12/91/1387431291.db2.gz FWAQQDZEGFPRTA-UHFFFAOYSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001323871010 1387483833 /nfs/dbraw/zinc/48/38/33/1387483833.db2.gz ATNOAIDHJHBCPC-CTNGQTDRSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001325428848 1387970972 /nfs/dbraw/zinc/97/09/72/1387970972.db2.gz NWPBKRJISFXDKS-RBUKOAKNSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001272271273 1377663555 /nfs/dbraw/zinc/66/35/55/1377663555.db2.gz 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10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001316782862 1384580139 /nfs/dbraw/zinc/58/01/39/1384580139.db2.gz LLFCGXGXNHWKQP-HBFSDRIKSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001317003597 1384762263 /nfs/dbraw/zinc/76/22/63/1384762263.db2.gz XNTKMQJTAUVVBX-LJQANCHMSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317328011 1385084132 /nfs/dbraw/zinc/08/41/32/1385084132.db2.gz ZCWKRGSNTDYLLX-MSOLQXFVSA-N 2 0 349.563 3.432 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001318437403 1385690262 /nfs/dbraw/zinc/69/02/62/1385690262.db2.gz PKZBIPRKAJUFBS-LJQANCHMSA-N 2 0 337.552 3.221 10 30 EGEERP C=C(C)CC[NH2+]CC1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001318665528 1385825573 /nfs/dbraw/zinc/82/55/73/1385825573.db2.gz UQJIAFBXJPOFFM-UHFFFAOYSA-N 2 0 347.547 3.093 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001318803817 1385857809 /nfs/dbraw/zinc/85/78/09/1385857809.db2.gz JPFJOGJTCVZOFN-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001318884547 1385869911 /nfs/dbraw/zinc/86/99/11/1385869911.db2.gz CKADLWCWMRWYPR-IBGZPJMESA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001318976986 1385905683 /nfs/dbraw/zinc/90/56/83/1385905683.db2.gz TUJXTTXMQYVVKJ-GUDVDZBRSA-N 2 0 335.536 3.233 10 30 EGEERP CCCCCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001319824161 1386319387 /nfs/dbraw/zinc/31/93/87/1386319387.db2.gz HDFVVMUMMMWZDD-OALUTQOASA-N 2 0 349.563 3.269 10 30 EGEERP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001319881865 1386358414 /nfs/dbraw/zinc/35/84/14/1386358414.db2.gz UWSNPYQZICDQNA-HXUWFJFHSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001329733760 1389212584 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ZINC001505401304 1396289365 /nfs/dbraw/zinc/28/93/65/1396289365.db2.gz YOAXIRVWIFLDGE-HXUWFJFHSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001690208491 1404416461 /nfs/dbraw/zinc/41/64/61/1404416461.db2.gz MCCDNIGIRQGWQG-KDURUIRLSA-N 2 0 347.547 3.281 10 30 EGEERP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001690459936 1404590995 /nfs/dbraw/zinc/59/09/95/1404590995.db2.gz WAYBRDXENUKOOJ-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001690475939 1404598063 /nfs/dbraw/zinc/59/80/63/1404598063.db2.gz JMTVOLSVNYHRIY-QZTJIDSGSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001690484275 1404601100 /nfs/dbraw/zinc/60/11/00/1404601100.db2.gz MSJMVDUTEDRLDJ-PMACEKPBSA-N 2 0 343.515 3.226 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001690732841 1404701577 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OTXKIXYEMKVQLT-ROUUACIJSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001692014440 1405734454 /nfs/dbraw/zinc/73/44/54/1405734454.db2.gz WGQVTQTVEIZGNM-UXHICEINSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001732403070 1428567528 /nfs/dbraw/zinc/56/75/28/1428567528.db2.gz CQGANFGXCPKCGQ-IBGZPJMESA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001732477369 1428603377 /nfs/dbraw/zinc/60/33/77/1428603377.db2.gz MKXIGPUWFREKLI-YLJYHZDGSA-N 2 0 349.563 3.338 10 30 EGEERP C=CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699479173 1412872700 /nfs/dbraw/zinc/87/27/00/1412872700.db2.gz CJGPQMZDFBRTBG-RTBURBONSA-N 2 0 349.563 3.339 10 30 EGEERP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)C1 ZINC001699677567 1413072184 /nfs/dbraw/zinc/07/21/84/1413072184.db2.gz VSHXACGDNNNKHS-LJQANCHMSA-N 2 0 349.563 3.101 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001699870064 1413316042 /nfs/dbraw/zinc/31/60/42/1413316042.db2.gz WVEWVHXDUCQZLY-CTNGQTDRSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001699879791 1413346145 /nfs/dbraw/zinc/34/61/45/1413346145.db2.gz YHVNMSMTZSLPNF-HXUWFJFHSA-N 2 0 335.536 3.047 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001700016771 1413462214 /nfs/dbraw/zinc/46/22/14/1413462214.db2.gz KXZWPRHKHDCIPZ-MOPGFXCFSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)CC[N@@H+](C)Cc1ccccc1CNC(=O)C1([NH+](C)C)CCC1 ZINC001700092615 1413507034 /nfs/dbraw/zinc/50/70/34/1413507034.db2.gz YHLZUNOCIJNHJZ-UHFFFAOYSA-N 2 0 343.515 3.185 10 30 EGEERP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001700105877 1413524624 /nfs/dbraw/zinc/52/46/24/1413524624.db2.gz NTBYXMMGUQFZDV-RTBURBONSA-N 2 0 349.563 3.221 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001700199156 1413640894 /nfs/dbraw/zinc/64/08/94/1413640894.db2.gz UHBFZMPZSNEKBA-PMACEKPBSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001700199315 1413641912 /nfs/dbraw/zinc/64/19/12/1413641912.db2.gz VGOUFHLDQQGADR-PMACEKPBSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001700222496 1413670536 /nfs/dbraw/zinc/67/05/36/1413670536.db2.gz IVHABYKIXZUWPM-GOSISDBHSA-N 2 0 335.536 3.186 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001700313022 1413767755 /nfs/dbraw/zinc/76/77/55/1413767755.db2.gz FASISSXLIOFYMX-MSOLQXFVSA-N 2 0 337.552 3.410 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001700314618 1413772078 /nfs/dbraw/zinc/77/20/78/1413772078.db2.gz VWOIVFWMMVRDFW-MSOLQXFVSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001700446498 1414023087 /nfs/dbraw/zinc/02/30/87/1414023087.db2.gz OMBCJKRGTSAFDF-SFHVURJKSA-N 2 0 337.552 3.291 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001700883223 1414540645 /nfs/dbraw/zinc/54/06/45/1414540645.db2.gz RESZZJCUJHBQRK-UXHICEINSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001700989190 1414633110 /nfs/dbraw/zinc/63/31/10/1414633110.db2.gz XJPGYXRAQADOOC-ZWKOTPCHSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)(C)C ZINC001700995166 1414642369 /nfs/dbraw/zinc/64/23/69/1414642369.db2.gz GECFCCMVIBSVSI-MSOLQXFVSA-N 2 0 337.552 3.336 10 30 EGEERP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001701008144 1414665327 /nfs/dbraw/zinc/66/53/27/1414665327.db2.gz AYVUWXHXAFJJMD-QUCCMNQESA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[NH+]1CCC(C2(NC(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC001701030978 1414693453 /nfs/dbraw/zinc/69/34/53/1414693453.db2.gz SOAMXTHEXQHGLZ-UHFFFAOYSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001707234484 1417255568 /nfs/dbraw/zinc/25/55/68/1417255568.db2.gz MLKOYSXRRSWAJB-GBESFXJTSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713131546 1417705387 /nfs/dbraw/zinc/70/53/87/1417705387.db2.gz HALAAKXCZMGTJN-ICSRJNTNSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713997492 1418776802 /nfs/dbraw/zinc/77/68/02/1418776802.db2.gz IDZKPZDJZGPWCP-KURKYZTESA-N 2 0 335.536 3.090 10 30 EGEERP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001714810809 1419521708 /nfs/dbraw/zinc/52/17/08/1419521708.db2.gz PDZHYZSNOICVHJ-SFHVURJKSA-N 2 0 347.547 3.045 10 30 EGEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC001714972916 1419707753 /nfs/dbraw/zinc/70/77/53/1419707753.db2.gz AJUXQRMEEHJCDD-UXHICEINSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001715031922 1419764329 /nfs/dbraw/zinc/76/43/29/1419764329.db2.gz VFNMAYCUBYFPBM-OALUTQOASA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001715048708 1419789707 /nfs/dbraw/zinc/78/97/07/1419789707.db2.gz XOIWIDPDKOZOCO-RTBURBONSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001715181960 1419916070 /nfs/dbraw/zinc/91/60/70/1419916070.db2.gz GGLPEMSWSCMGEI-WTGUMLROSA-N 2 0 349.563 3.479 10 30 EGEERP C=CCC[C@@H](C)[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001715196815 1419928937 /nfs/dbraw/zinc/92/89/37/1419928937.db2.gz NGHPDDRKTLHYLN-QGZVFWFLSA-N 2 0 343.515 3.089 10 30 EGEERP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001733274339 1429437294 /nfs/dbraw/zinc/43/72/94/1429437294.db2.gz FKOAJBFQXBDKLI-CEXWTWQISA-N 2 0 335.536 3.138 10 30 EGEERP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001733274340 1429437309 /nfs/dbraw/zinc/43/73/09/1429437309.db2.gz FKOAJBFQXBDKLI-QYZOEREBSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001716712079 1420864566 /nfs/dbraw/zinc/86/45/66/1420864566.db2.gz VKMIXYGZSNVAMJ-QYZOEREBSA-N 2 0 335.536 3.138 10 30 EGEERP C=CC[NH2+]C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CCCC1 ZINC001716818901 1420944950 /nfs/dbraw/zinc/94/49/50/1420944950.db2.gz NSGIMNJTVQAOSQ-SFHVURJKSA-N 2 0 335.536 3.090 10 30 EGEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001716901410 1421033070 /nfs/dbraw/zinc/03/30/70/1421033070.db2.gz HQJBBQSANKUVFO-FPOVZHCZSA-N 2 0 343.515 3.084 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001717030880 1421084698 /nfs/dbraw/zinc/08/46/98/1421084698.db2.gz GJEXDFUBNSJHLE-QYZOEREBSA-N 2 0 337.552 3.362 10 30 EGEERP C=CCCC[NH+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001717130476 1421131434 /nfs/dbraw/zinc/13/14/34/1421131434.db2.gz WEJTXNQLTBIPJY-UHFFFAOYSA-N 2 0 347.547 3.143 10 30 EGEERP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001717526458 1421461985 /nfs/dbraw/zinc/46/19/85/1421461985.db2.gz DCYTXKLFHOUXOM-MSOLQXFVSA-N 2 0 335.536 3.092 10 30 EGEERP 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 1421540765 /nfs/dbraw/zinc/54/07/65/1421540765.db2.gz VPSSRVXAPUNMOG-JYAXBFRTSA-N 2 0 349.563 3.098 10 30 EGEERP C=CCCC[NH2+][C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC1(C)C ZINC001717895741 1421693647 /nfs/dbraw/zinc/69/36/47/1421693647.db2.gz SCAPKWNFGLIVOO-INIZCTEOSA-N 2 0 349.544 3.216 10 30 EGEERP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001717984516 1421756534 /nfs/dbraw/zinc/75/65/34/1421756534.db2.gz AXTUZVBDGVQXOK-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001733402107 1429596837 /nfs/dbraw/zinc/59/68/37/1429596837.db2.gz HMRMIFYDQINFIO-WIYYLYMNSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001733402101 1429596899 /nfs/dbraw/zinc/59/68/99/1429596899.db2.gz HMRMIFYDQINFIO-NQIIRXRSSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCCCC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001723699772 1424537350 /nfs/dbraw/zinc/53/73/50/1424537350.db2.gz QYIKHOJBIVYARJ-UHFFFAOYSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001724610573 1424950569 /nfs/dbraw/zinc/95/05/69/1424950569.db2.gz IQIQHSYZCLNYAY-LWYYNNOASA-N 2 0 347.547 3.092 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001724744378 1425112877 /nfs/dbraw/zinc/11/28/77/1425112877.db2.gz MSDBUDKAWPVQQD-WGSAOQKQSA-N 2 0 349.563 3.482 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001724761351 1425132364 /nfs/dbraw/zinc/13/23/64/1425132364.db2.gz VRAZSKVCFFOXNC-MOPGFXCFSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001724839926 1425189235 /nfs/dbraw/zinc/18/92/35/1425189235.db2.gz VHJXVGXUOQJOPR-KRWDZBQOSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001724870345 1425253536 /nfs/dbraw/zinc/25/35/36/1425253536.db2.gz YIRFWAHQWRTEFS-UXHICEINSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001724959332 1425347140 /nfs/dbraw/zinc/34/71/40/1425347140.db2.gz JWLAFHMSBXXOQV-SFHVURJKSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001725237913 1425831023 /nfs/dbraw/zinc/83/10/23/1425831023.db2.gz ALBQYWCPSFZTJX-SFHVURJKSA-N 2 0 337.552 3.291 10 30 EGEERP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@@H+](C)C3CCCCC3)C[C@@H]2C1 ZINC001725335996 1425981663 /nfs/dbraw/zinc/98/16/63/1425981663.db2.gz LTSKKCKNMHIFDC-OTWHNJEPSA-N 2 0 347.547 3.044 10 30 EGEERP CCCCCCC[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001725346132 1425997420 /nfs/dbraw/zinc/99/74/20/1425997420.db2.gz RDQQFCDWCMBHPU-IBGZPJMESA-N 2 0 349.563 3.223 10 30 EGEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001725790671 1426476444 /nfs/dbraw/zinc/47/64/44/1426476444.db2.gz INVIKIDJPBOLGQ-ZWKOTPCHSA-N 2 0 335.536 3.090 10 30 EGEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001725790669 1426476732 /nfs/dbraw/zinc/47/67/32/1426476732.db2.gz INVIKIDJPBOLGQ-QZTJIDSGSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001731504089 1427487931 /nfs/dbraw/zinc/48/79/31/1427487931.db2.gz UPXOKCXYBCDCRG-KRWDZBQOSA-N 2 0 340.471 3.051 10 30 EGEERP C=CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001731560486 1427595532 /nfs/dbraw/zinc/59/55/32/1427595532.db2.gz UZJZBKWKCNCUCF-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001733763033 1429980887 /nfs/dbraw/zinc/98/08/87/1429980887.db2.gz SRDRAMRIMWIABH-IBGZPJMESA-N 2 0 337.552 3.269 10 30 EGEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001733869382 1437695541 /nfs/dbraw/zinc/69/55/41/1437695541.db2.gz HZVJFUWSWWCIRQ-UHFFFAOYSA-N 2 0 335.536 3.189 10 30 EGEERP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001734091805 1437876060 /nfs/dbraw/zinc/87/60/60/1437876060.db2.gz OCXXGXVSFJMEHI-RTBURBONSA-N 2 0 349.563 3.482 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001734128878 1437906582 /nfs/dbraw/zinc/90/65/82/1437906582.db2.gz BAJPYLZKVRKFGO-DLBZAZTESA-N 2 0 343.515 3.153 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001734456656 1438114030 /nfs/dbraw/zinc/11/40/30/1438114030.db2.gz HKDBOZSVLUAOAZ-UYAOXDASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC001734494067 1438131583 /nfs/dbraw/zinc/13/15/83/1438131583.db2.gz NWXYJZNZYMINHJ-OALUTQOASA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001734506533 1438137234 /nfs/dbraw/zinc/13/72/34/1438137234.db2.gz ZFWVAYBJIAYCHF-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001734577860 1438170412 /nfs/dbraw/zinc/17/04/12/1438170412.db2.gz OJRRAYPAKFSMMX-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001750928325 1440112208 /nfs/dbraw/zinc/11/22/08/1440112208.db2.gz FVBKKNWAGDYELI-OALUTQOASA-N 2 0 337.552 3.221 10 30 EGEERP C=CCCC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001750946622 1440119044 /nfs/dbraw/zinc/11/90/44/1440119044.db2.gz INDQBDZQEMSDGW-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000623560691 460612280 /nfs/dbraw/zinc/61/22/80/460612280.db2.gz PCVNHVPSSIIJAW-OTVXOJSOSA-N 2 0 338.879 3.343 10 30 EGEERP C=CCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)C1CC1 ZINC000120231261 454276026 /nfs/dbraw/zinc/27/60/26/454276026.db2.gz GPPRSVOCXSFBEG-LJQANCHMSA-N 2 0 328.504 3.058 10 30 EGEERP N#C[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000248882401 455736491 /nfs/dbraw/zinc/73/64/91/455736491.db2.gz RTGXROFIXDCTRU-HMXCVIKNSA-N 2 0 341.499 3.104 10 30 EGEERP CC[NH+]1CCC(CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000285893321 455937180 /nfs/dbraw/zinc/93/71/80/455937180.db2.gz CKCVFWOTILNZFR-UHFFFAOYSA-N 2 0 340.515 3.239 10 30 EGEERP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000356944116 457235492 /nfs/dbraw/zinc/23/54/92/457235492.db2.gz DTHIGHOIHBILME-UHFFFAOYSA-N 2 0 340.515 3.344 10 30 EGEERP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595069830 459235721 /nfs/dbraw/zinc/23/57/21/459235721.db2.gz LEQAQWKHKKHOGC-FGZHOGPDSA-N 2 0 349.478 3.366 10 30 EGEERP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599372860 460241672 /nfs/dbraw/zinc/24/16/72/460241672.db2.gz NZOBLUKVVHTQKU-PXNSSMCTSA-N 2 0 329.488 3.093 10 30 EGEERP C=CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000883186352 1302292957 /nfs/dbraw/zinc/29/29/57/1302292957.db2.gz QDIUVDDEQFEJDO-TZIWHRDSSA-N 2 0 329.532 3.037 10 30 EGEERP C=CCC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883193069 1302297296 /nfs/dbraw/zinc/29/72/96/1302297296.db2.gz NTAPPOCCDXNCLT-WOJBJXKFSA-N 2 0 349.563 3.040 10 30 EGEERP C=CCC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCO1 ZINC000883199870 1302300950 /nfs/dbraw/zinc/30/09/50/1302300950.db2.gz RWXXAVHRHZXTAR-UXHICEINSA-N 2 0 329.488 3.401 10 30 EGEERP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000922332336 1322503790 /nfs/dbraw/zinc/50/37/90/1322503790.db2.gz DIUSWCMZVKHNPY-UHFFFAOYSA-N 2 0 348.494 3.217 10 30 EGEERP CSc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1C#N ZINC000925774479 1325293175 /nfs/dbraw/zinc/29/31/75/1325293175.db2.gz VYMOLBXBVOEUIS-LBPRGKRZSA-N 2 0 326.469 3.293 10 30 EGEERP C=CCC[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccco1 ZINC000925812925 1325312474 /nfs/dbraw/zinc/31/24/74/1325312474.db2.gz DIWRHXDXXDSVJI-FQEVSTJZSA-N 2 0 339.483 3.482 10 30 EGEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940857780 1331223108 /nfs/dbraw/zinc/22/31/08/1331223108.db2.gz CZROQHYSFAHNKO-OALUTQOASA-N 2 0 349.563 3.290 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001324642910 1387715436 /nfs/dbraw/zinc/71/54/36/1387715436.db2.gz ZLGXYHWJDJLCSC-CMKODMSKSA-N 2 0 337.552 3.268 10 30 EGEERP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001324880569 1387802608 /nfs/dbraw/zinc/80/26/08/1387802608.db2.gz ORLUOEMXYPUHQH-LJQANCHMSA-N 2 0 347.547 3.188 10 30 EGEERP CCOCCC[N@@H+]1CC[C@H](NCc2cc(Cl)cc(C#N)c2)[C@@H](C)C1 ZINC001119742325 1371397222 /nfs/dbraw/zinc/39/72/22/1371397222.db2.gz ILOIVLRZTBRDLM-KXBFYZLASA-N 2 0 349.906 3.438 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001326528838 1388230272 /nfs/dbraw/zinc/23/02/72/1388230272.db2.gz AUGADGNBXNJGAS-GUDVDZBRSA-N 2 0 349.563 3.480 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001326566215 1388241508 /nfs/dbraw/zinc/24/15/08/1388241508.db2.gz GZWHXNQFQDSQJO-FHWLQOOXSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001266111213 1377189835 /nfs/dbraw/zinc/18/98/35/1377189835.db2.gz YDFBBVDJGFCOJO-ROUUACIJSA-N 2 0 337.552 3.242 10 30 EGEERP C=CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001284127489 1379503377 /nfs/dbraw/zinc/50/33/77/1379503377.db2.gz BKPPJJCGPAIURR-AEFFLSMTSA-N 2 0 335.536 3.185 10 30 EGEERP C=CCCC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001328083530 1388665923 /nfs/dbraw/zinc/66/59/23/1388665923.db2.gz VMQCKCDUFGZEPD-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001328620330 1388790536 /nfs/dbraw/zinc/79/05/36/1388790536.db2.gz HQSVCIUUEFMBFK-QUCCMNQESA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001316671648 1384514454 /nfs/dbraw/zinc/51/44/54/1384514454.db2.gz UZXXWEQUIPNVHX-RBUKOAKNSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001316812559 1384611785 /nfs/dbraw/zinc/61/17/85/1384611785.db2.gz YKEGMBKLHCPXRG-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001316944223 1384716492 /nfs/dbraw/zinc/71/64/92/1384716492.db2.gz KPTACAPNIZIBCJ-MOPGFXCFSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001318897234 1385873398 /nfs/dbraw/zinc/87/33/98/1385873398.db2.gz UOISANSPGSYEMT-IBGZPJMESA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001319876067 1386353833 /nfs/dbraw/zinc/35/38/33/1386353833.db2.gz FVERFZPJGXYSGI-UHFFFAOYSA-N 2 0 349.563 3.388 10 30 EGEERP CS[C@@H]1CC[C@H]([NH+](C)CC#CC[N@@H+](C)[C@@H]2CC[C@H](SC)C2)C1 ZINC001321742953 1386972103 /nfs/dbraw/zinc/97/21/03/1386972103.db2.gz JOWZFHOHZPYGBO-FZDBZEDMSA-N 2 0 340.602 3.422 10 30 EGEERP CCCCCCC[N@@H+]1C[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001330244579 1389362596 /nfs/dbraw/zinc/36/25/96/1389362596.db2.gz NBHDLJMDSRHMKK-MSOLQXFVSA-N 2 0 337.552 3.125 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001331438490 1389748106 /nfs/dbraw/zinc/74/81/06/1389748106.db2.gz HLAAUZYBXAKSNL-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP N#CC1CCC(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC001333919579 1390440168 /nfs/dbraw/zinc/44/01/68/1390440168.db2.gz OZJAWESGCVYUBI-UHFFFAOYSA-N 2 0 333.520 3.141 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001488741663 1391713129 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C=C(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001482481651 1395035264 /nfs/dbraw/zinc/03/52/64/1395035264.db2.gz KBQFJSJAZHEHRA-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001483836579 1395104018 /nfs/dbraw/zinc/10/40/18/1395104018.db2.gz DSBOFJBPGAHGGF-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484106402 1395254480 /nfs/dbraw/zinc/25/44/80/1395254480.db2.gz FLUGNJGCLPLGFQ-IRFCIJBXSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001484163890 1395298383 /nfs/dbraw/zinc/29/83/83/1395298383.db2.gz PSEZIHWZGGGRDE-ICSRJNTNSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001484529927 1395417989 /nfs/dbraw/zinc/41/79/89/1395417989.db2.gz BESCEGWEZSOAGI-IBGZPJMESA-N 2 0 349.563 3.293 10 30 EGEERP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001484562659 1395448563 /nfs/dbraw/zinc/44/85/63/1395448563.db2.gz FUCHZGGNINYDRW-KRWDZBQOSA-N 2 0 343.515 3.261 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001484981270 1395621521 /nfs/dbraw/zinc/62/15/21/1395621521.db2.gz NDSUJOUHMRGNAO-WOJBJXKFSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001505396360 1396284215 /nfs/dbraw/zinc/28/42/15/1396284215.db2.gz GPTJMGOJBXBQQZ-IBGZPJMESA-N 2 0 337.552 3.099 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001496350624 1396661065 /nfs/dbraw/zinc/66/10/65/1396661065.db2.gz ISIZKASIGBRYED-SJLPKXTDSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001690030937 1404269578 /nfs/dbraw/zinc/26/95/78/1404269578.db2.gz PLZWTSKAIJSOEZ-UYAOXDASSA-N 2 0 349.563 3.384 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001691681575 1405416806 /nfs/dbraw/zinc/41/68/06/1405416806.db2.gz BAKVPWQSPPDXTR-AZUAARDMSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001691692500 1405427133 /nfs/dbraw/zinc/42/71/33/1405427133.db2.gz PQRHCADIOHACTB-ICSRJNTNSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001691738342 1405460473 /nfs/dbraw/zinc/46/04/73/1405460473.db2.gz ITZFVQAHNRTNSY-PMACEKPBSA-N 2 0 349.563 3.435 10 30 EGEERP C=CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C(C)C ZINC001732012911 1428227491 /nfs/dbraw/zinc/22/74/91/1428227491.db2.gz HYZVYWGTXBZDFL-IBGZPJMESA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001732308492 1428522831 /nfs/dbraw/zinc/52/28/31/1428522831.db2.gz DKNBQKKHKCAGRD-FHWLQOOXSA-N 2 0 335.536 3.092 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001732492658 1428615194 /nfs/dbraw/zinc/61/51/94/1428615194.db2.gz WXVMIOWRPNXPRU-QZTJIDSGSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001699694068 1413102096 /nfs/dbraw/zinc/10/20/96/1413102096.db2.gz AXFDATNZERPJPM-SFHVURJKSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001699797791 1413207522 /nfs/dbraw/zinc/20/75/22/1413207522.db2.gz ZLUMHGKPVGNVCM-HKUYNNGSSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001699976068 1413416987 /nfs/dbraw/zinc/41/69/87/1413416987.db2.gz MWFOTGZQTNEVMX-IYWMVGAKSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001700341017 1413821058 /nfs/dbraw/zinc/82/10/58/1413821058.db2.gz HIBGXMGZHSQBEJ-UXHICEINSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001700342777 1413826944 /nfs/dbraw/zinc/82/69/44/1413826944.db2.gz DXNCZBDHAMTOIC-UHFFFAOYSA-N 2 0 349.563 3.389 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001700361302 1413874398 /nfs/dbraw/zinc/87/43/98/1413874398.db2.gz BJGCGXXLYQDBDA-QUCCMNQESA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001700693951 1414347357 /nfs/dbraw/zinc/34/73/57/1414347357.db2.gz OHZUTZNBKHIWGX-FQEVSTJZSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@H]21 ZINC001732603887 1428855163 /nfs/dbraw/zinc/85/51/63/1428855163.db2.gz AEWQNQSGRUFRDY-AZUAARDMSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001707165112 1417226486 /nfs/dbraw/zinc/22/64/86/1417226486.db2.gz HKQVOAXMJAMBNB-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001707173756 1417229138 /nfs/dbraw/zinc/22/91/38/1417229138.db2.gz GGYGOKMWHXQEPE-GUDVDZBRSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001707238651 1417259003 /nfs/dbraw/zinc/25/90/03/1417259003.db2.gz NUIUJFDTCWHBQJ-FQEVSTJZSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001707240444 1417260476 /nfs/dbraw/zinc/26/04/76/1417260476.db2.gz UCVNNUXXBVWQQE-RBUKOAKNSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001713265372 1417873861 /nfs/dbraw/zinc/87/38/61/1417873861.db2.gz CVDYCAHIUOMBNR-PMACEKPBSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001713394276 1418008970 /nfs/dbraw/zinc/00/89/70/1418008970.db2.gz SJWWDZXBHOQGER-GOSISDBHSA-N 2 0 340.471 3.145 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001713411370 1418034718 /nfs/dbraw/zinc/03/47/18/1418034718.db2.gz CMFOHDHIRYMXSD-LSDHHAIUSA-N 2 0 328.460 3.095 10 30 EGEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001713678262 1418430387 /nfs/dbraw/zinc/43/03/87/1418430387.db2.gz WPFBKLHZRUMLCW-XLIONFOSSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001713680438 1418432290 /nfs/dbraw/zinc/43/22/90/1418432290.db2.gz LLIDBGBZZGKKDM-QUCCMNQESA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001713729567 1418513019 /nfs/dbraw/zinc/51/30/19/1418513019.db2.gz YNPXEHOYJKQSSU-RTBURBONSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001713897400 1418695964 /nfs/dbraw/zinc/69/59/64/1418695964.db2.gz JWHVIURNRUEDNV-IRXDYDNUSA-N 2 0 343.943 3.030 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001714331122 1419111066 /nfs/dbraw/zinc/11/10/66/1419111066.db2.gz NBNREUQXHIOROH-UHFFFAOYSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001714400615 1419143731 /nfs/dbraw/zinc/14/37/31/1419143731.db2.gz BOYAZZZVOMMFKZ-IRXDYDNUSA-N 2 0 349.544 3.407 10 30 EGEERP C=C(C)CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCCC1 ZINC001714493340 1419217110 /nfs/dbraw/zinc/21/71/10/1419217110.db2.gz OWERRGFWRBQVMY-UHFFFAOYSA-N 2 0 335.536 3.236 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001715249106 1419975011 /nfs/dbraw/zinc/97/50/11/1419975011.db2.gz TXAGJJLUFVYNCO-HKUYNNGSSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001715443032 1420127884 /nfs/dbraw/zinc/12/78/84/1420127884.db2.gz GQWWEURFUFBERE-UXHICEINSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001715455286 1420136782 /nfs/dbraw/zinc/13/67/82/1420136782.db2.gz IZASQCIBGBGLBI-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001715456546 1420137595 /nfs/dbraw/zinc/13/75/95/1420137595.db2.gz LRPAPDBUHGBBMW-IAGOWNOFSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001715458483 1420139246 /nfs/dbraw/zinc/13/92/46/1420139246.db2.gz IYJZJDAQOXBCPY-UYAOXDASSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001715460026 1420140545 /nfs/dbraw/zinc/14/05/45/1420140545.db2.gz OHDOTYVCXRLNHA-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001716052936 1420517697 /nfs/dbraw/zinc/51/76/97/1420517697.db2.gz HFZHJTBQXPVCTP-PMACEKPBSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001716763723 1420910288 /nfs/dbraw/zinc/91/02/88/1420910288.db2.gz GLEZVUQDSWRLAC-MSOLQXFVSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001716903209 1421036454 /nfs/dbraw/zinc/03/64/54/1421036454.db2.gz ZQFODATVGFLEMN-QUCCMNQESA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001716983932 1421061188 /nfs/dbraw/zinc/06/11/88/1421061188.db2.gz ZSNAIBGWANWRIZ-WBVHZDCISA-N 2 0 349.544 3.074 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001717002165 1421071748 /nfs/dbraw/zinc/07/17/48/1421071748.db2.gz MQQPKHPLPYIZLV-MUGJNUQGSA-N 2 0 349.563 3.195 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001717038097 1421092826 /nfs/dbraw/zinc/09/28/26/1421092826.db2.gz NOTFQOHNHQOSPU-OALUTQOASA-N 2 0 347.547 3.118 10 30 EGEERP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001717304339 1421245973 /nfs/dbraw/zinc/24/59/73/1421245973.db2.gz BQCJSCWUGGMDIB-LJQANCHMSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC001717312225 1421257452 /nfs/dbraw/zinc/25/74/52/1421257452.db2.gz RFYNVSQUTQPSIP-IBGZPJMESA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001717368841 1421305551 /nfs/dbraw/zinc/30/55/51/1421305551.db2.gz GKZWCEXYTRAAML-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001717968674 1421740373 /nfs/dbraw/zinc/74/03/73/1421740373.db2.gz FMEFGLUBOZDYCF-ROUUACIJSA-N 2 0 337.552 3.338 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724239839 1424750471 /nfs/dbraw/zinc/75/04/71/1424750471.db2.gz ZCENCVMAMWIUTH-FXAWDEMLSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001724262139 1424761616 /nfs/dbraw/zinc/76/16/16/1424761616.db2.gz IUVPHAGXXFDUIK-RTWAWAEBSA-N 2 0 347.547 3.047 10 30 EGEERP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001724614747 1424960059 /nfs/dbraw/zinc/96/00/59/1424960059.db2.gz AVUVCXCZAVPHSK-FQEVSTJZSA-N 2 0 343.515 3.055 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001724744428 1425112758 /nfs/dbraw/zinc/11/27/58/1425112758.db2.gz OEHNFCUHSWKGTI-IYARVYRRSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001724843822 1425193334 /nfs/dbraw/zinc/19/33/34/1425193334.db2.gz LUFBGNVEOGBPBB-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@H]1C ZINC001724995199 1425401496 /nfs/dbraw/zinc/40/14/96/1425401496.db2.gz OKUDQRUGEGBPNB-IAGOWNOFSA-N 2 0 335.536 3.185 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001725737670 1426412554 /nfs/dbraw/zinc/41/25/54/1426412554.db2.gz DTMRIQHRENGTPZ-MJGOQNOKSA-N 2 0 349.563 3.338 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001731470736 1427450314 /nfs/dbraw/zinc/45/03/14/1427450314.db2.gz JLZNTWXMELJHHB-WOJBJXKFSA-N 2 0 347.547 3.142 10 30 EGEERP C=CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001731560485 1427594757 /nfs/dbraw/zinc/59/47/57/1427594757.db2.gz UZJZBKWKCNCUCF-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001733687861 1429903361 /nfs/dbraw/zinc/90/33/61/1429903361.db2.gz VUWKKRRUTNENKY-FHWLQOOXSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001733956150 1437764299 /nfs/dbraw/zinc/76/42/99/1437764299.db2.gz VTIWDSCAHAJLTK-AFMYVXGZSA-N 2 0 347.547 3.234 10 30 EGEERP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001734105425 1437891663 /nfs/dbraw/zinc/89/16/63/1437891663.db2.gz FRPOELMLFFWDRL-PMACEKPBSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001734208674 1437943830 /nfs/dbraw/zinc/94/38/30/1437943830.db2.gz GPIYLSRTZKNONE-SOAMZJECSA-N 2 0 347.547 3.233 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC(C)(C)C1 ZINC001750943777 1440116999 /nfs/dbraw/zinc/11/69/99/1440116999.db2.gz AGQUHXVVKMKYNW-ZWKOTPCHSA-N 2 0 337.552 3.288 10 30 EGEERP C=CCCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001750946623 1440119088 /nfs/dbraw/zinc/11/90/88/1440119088.db2.gz INDQBDZQEMSDGW-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358437172 299290199 /nfs/dbraw/zinc/29/01/99/299290199.db2.gz FCOZGADXCQSELV-XHSDSOJGSA-N 2 0 333.451 3.237 10 30 EGEERP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271062423 456117152 /nfs/dbraw/zinc/11/71/52/456117152.db2.gz HGKDOAFIJMEIAV-KBWCOIMZSA-N 2 0 343.515 3.337 10 30 EGEERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000449447094 458424659 /nfs/dbraw/zinc/42/46/59/458424659.db2.gz WAUVIINOZDGWTD-ICSRJNTNSA-N 2 0 340.515 3.391 10 30 EGEERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](C)O1 ZINC000594924489 459178928 /nfs/dbraw/zinc/17/89/28/459178928.db2.gz ZJUQBDNTUHIDOZ-QZTJIDSGSA-N 2 0 341.499 3.221 10 30 EGEERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(C#N)cc1F ZINC000595051530 459228706 /nfs/dbraw/zinc/22/87/06/459228706.db2.gz VTMVRAPHOZTGCI-HNNXBMFYSA-N 2 0 345.462 3.239 10 30 EGEERP CC[N@H+](CCC1CC[NH+](Cc2ccnc(C#N)c2)CC1)CC1CC1 ZINC000611303653 460333657 /nfs/dbraw/zinc/33/36/57/460333657.db2.gz GDHHDZFQOCHNGR-UHFFFAOYSA-N 2 0 326.488 3.287 10 30 EGEERP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1C ZINC000662293113 461170013 /nfs/dbraw/zinc/17/00/13/461170013.db2.gz JXFYGGWOHOMNTF-IBGZPJMESA-N 2 0 343.515 3.185 10 30 EGEERP C=CCOc1ccccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536059 462170186 /nfs/dbraw/zinc/17/01/86/462170186.db2.gz FDNRBMXGZFSZHY-UHFFFAOYSA-N 2 0 344.499 3.232 10 30 EGEERP COc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000708525909 1298239310 /nfs/dbraw/zinc/23/93/10/1298239310.db2.gz CNWMHUWGIYRHAB-UWJYYQICSA-N 2 0 349.478 3.425 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000876740937 1298952361 /nfs/dbraw/zinc/95/23/61/1298952361.db2.gz QVPLSCKPRDNDMJ-KRWDZBQOSA-N 2 0 335.879 3.471 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000876763145 1298968256 /nfs/dbraw/zinc/96/82/56/1298968256.db2.gz OAACZJTWMYMLKK-RDJZCZTQSA-N 2 0 349.906 3.236 10 30 EGEERP N#Cc1cc(Cl)cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000929418418 1328592446 /nfs/dbraw/zinc/59/24/46/1328592446.db2.gz FVXRZQBQEVOKOG-UHFFFAOYSA-N 2 0 347.890 3.146 10 30 EGEERP N#Cc1ccc(C2([NH2+]CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)cc1 ZINC000923404278 1322746588 /nfs/dbraw/zinc/74/65/88/1322746588.db2.gz XYPDROAAYUHOLA-CTXDPNEZSA-N 2 0 339.483 3.074 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940781263 1331191278 /nfs/dbraw/zinc/19/12/78/1331191278.db2.gz YQXRKTPUMNCWGF-MRXNPFEDSA-N 2 0 349.544 3.216 10 30 EGEERP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973096 1331281967 /nfs/dbraw/zinc/28/19/67/1331281967.db2.gz RPEZREZYSABICL-RBUKOAKNSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075494 1331322129 /nfs/dbraw/zinc/32/21/29/1331322129.db2.gz NCBHYBTULKTYBI-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941075948 1331322597 /nfs/dbraw/zinc/32/25/97/1331322597.db2.gz RKCDHQRTAVWQTR-MSOLQXFVSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001323817100 1387467490 /nfs/dbraw/zinc/46/74/90/1387467490.db2.gz WTFMQEAHSAAOEI-CTNGQTDRSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001324286894 1387582992 /nfs/dbraw/zinc/58/29/92/1387582992.db2.gz VICAFUQGMHDBNC-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001324775053 1387768392 /nfs/dbraw/zinc/76/83/92/1387768392.db2.gz GXKJOVXNZNRXPU-TZIWHRDSSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[NH+]1CCC(C)(CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001324865010 1387797111 /nfs/dbraw/zinc/79/71/11/1387797111.db2.gz YRXZUAHZZRMZHZ-UHFFFAOYSA-N 2 0 349.544 3.218 10 30 EGEERP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001324870513 1387798274 /nfs/dbraw/zinc/79/82/74/1387798274.db2.gz YUCJDDOSAZCDSQ-IBGZPJMESA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)[C@@H](CO)[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001195658923 1368466791 /nfs/dbraw/zinc/46/67/91/1368466791.db2.gz HBCPCECYWAKZJB-HXUWFJFHSA-N 2 0 328.500 3.302 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001325529356 1387998069 /nfs/dbraw/zinc/99/80/69/1387998069.db2.gz DOPCJWAAGHJRIK-ROUUACIJSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001326287061 1388142897 /nfs/dbraw/zinc/14/28/97/1388142897.db2.gz LGFAHSXWJQIVNY-ICSRJNTNSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001282675072 1378544830 /nfs/dbraw/zinc/54/48/30/1378544830.db2.gz JPLVRNGHDONVBI-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc2C1 ZINC001327695944 1388584882 /nfs/dbraw/zinc/58/48/82/1388584882.db2.gz MAODISVRFXAVCN-OXQOHEQNSA-N 2 0 343.515 3.313 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001284067820 1379425733 /nfs/dbraw/zinc/42/57/33/1379425733.db2.gz CGMHLWJWNYAXEI-CMKODMSKSA-N 2 0 335.536 3.022 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001284614748 1380013819 /nfs/dbraw/zinc/01/38/19/1380013819.db2.gz XLRCGLNMAKJMCE-IAGOWNOFSA-N 2 0 337.552 3.336 10 30 EGEERP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001328101023 1388672626 /nfs/dbraw/zinc/67/26/26/1388672626.db2.gz DHEHQPKJIYBXFN-QGZVFWFLSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCCCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001328754032 1388846487 /nfs/dbraw/zinc/84/64/87/1388846487.db2.gz YUJLWDHXGNJFFH-SLFFLAALSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001328797074 1388868702 /nfs/dbraw/zinc/86/87/02/1388868702.db2.gz LOEDAOWTKBQOLN-UXHICEINSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001316775868 1384574665 /nfs/dbraw/zinc/57/46/65/1384574665.db2.gz UIPYSQLZFGIKAA-PMACEKPBSA-N 2 0 349.563 3.435 10 30 EGEERP CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001317047679 1384823779 /nfs/dbraw/zinc/82/37/79/1384823779.db2.gz CJWSCAINLDYAKH-KDURUIRLSA-N 2 0 347.547 3.260 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317301022 1385069547 /nfs/dbraw/zinc/06/95/47/1385069547.db2.gz PWRLFIAXOPNNNI-ICSRJNTNSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001319141513 1385975389 /nfs/dbraw/zinc/97/53/89/1385975389.db2.gz DMBDXIVYKLRNNR-IBGZPJMESA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001319915111 1386387337 /nfs/dbraw/zinc/38/73/37/1386387337.db2.gz HYNJFMGAVVZYJY-UYAOXDASSA-N 2 0 349.563 3.338 10 30 EGEERP C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001698704691 1406346682 /nfs/dbraw/zinc/34/66/82/1406346682.db2.gz XTZDCZFLBIJWPK-AZUAARDMSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001330264465 1389372562 /nfs/dbraw/zinc/37/25/62/1389372562.db2.gz YIOANCHMLPXIFN-RBUKOAKNSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001331440312 1389749693 /nfs/dbraw/zinc/74/96/93/1389749693.db2.gz RUUOPFGIXAPTCV-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001479691516 1392322980 /nfs/dbraw/zinc/32/29/80/1392322980.db2.gz KWOCIFIDGXMARE-LJQANCHMSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001479695841 1392326850 /nfs/dbraw/zinc/32/68/50/1392326850.db2.gz OZYMCPFEMJUTRZ-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001481126094 1393126649 /nfs/dbraw/zinc/12/66/49/1393126649.db2.gz HTYKWQZOPVCKHT-MJGOQNOKSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)C[NH+]1CCC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001490411223 1394218490 /nfs/dbraw/zinc/21/84/90/1394218490.db2.gz QJERQCVLQOVODH-UHFFFAOYSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001490454782 1394232755 /nfs/dbraw/zinc/23/27/55/1394232755.db2.gz LCLINACAEKFPJI-YLJYHZDGSA-N 2 0 347.547 3.044 10 30 EGEERP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001490597297 1394278784 /nfs/dbraw/zinc/27/87/84/1394278784.db2.gz OYTVNMPAFPJFFU-OALUTQOASA-N 2 0 349.563 3.412 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001481434817 1394290370 /nfs/dbraw/zinc/29/03/70/1394290370.db2.gz FGXVVPBQCPYYBG-AZUAARDMSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001482005225 1394665309 /nfs/dbraw/zinc/66/53/09/1394665309.db2.gz GFPHMRRMJIGCFR-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001482429515 1394989856 /nfs/dbraw/zinc/98/98/56/1394989856.db2.gz QPTMNVYRXHNHSU-MJGOQNOKSA-N 2 0 337.552 3.125 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001484715826 1395475881 /nfs/dbraw/zinc/47/58/81/1395475881.db2.gz XSKPWHBZWMTTGO-KRWDZBQOSA-N 2 0 349.544 3.360 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001485585392 1396062437 /nfs/dbraw/zinc/06/24/37/1396062437.db2.gz LWWNVOMZTMAKQH-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001485666725 1396095828 /nfs/dbraw/zinc/09/58/28/1396095828.db2.gz QYBCZAAJJVHATA-SFHVURJKSA-N 2 0 337.552 3.221 10 30 EGEERP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1(C)C ZINC001486238980 1396187226 /nfs/dbraw/zinc/18/72/26/1396187226.db2.gz SVPVTECWBKAYOO-GOSISDBHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1(C)C ZINC001486238981 1396187242 /nfs/dbraw/zinc/18/72/42/1396187242.db2.gz SVPVTECWBKAYOO-SFHVURJKSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001505401285 1396289371 /nfs/dbraw/zinc/28/93/71/1396289371.db2.gz XNTZDIPVQRJSAG-RTBURBONSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001491958285 1396300703 /nfs/dbraw/zinc/30/07/03/1396300703.db2.gz CAVXKYFLQFWVDT-WOJBJXKFSA-N 2 0 343.515 3.178 10 30 EGEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001495948372 1396574610 /nfs/dbraw/zinc/57/46/10/1396574610.db2.gz INTHUCXDIURWIV-GOSISDBHSA-N 2 0 335.536 3.236 10 30 EGEERP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001699008407 1406833831 /nfs/dbraw/zinc/83/38/31/1406833831.db2.gz IVNXSDPAHPLLNL-OALUTQOASA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001689271305 1397005442 /nfs/dbraw/zinc/00/54/42/1397005442.db2.gz GXKOAHDVGJDHGK-PMACEKPBSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001690125989 1404319513 /nfs/dbraw/zinc/31/95/13/1404319513.db2.gz KPEAZGYFHJRWLH-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001690151976 1404351836 /nfs/dbraw/zinc/35/18/36/1404351836.db2.gz WWKQODHMMOWSCS-ICSRJNTNSA-N 2 0 347.547 3.092 10 30 EGEERP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001690450445 1404575650 /nfs/dbraw/zinc/57/56/50/1404575650.db2.gz JQASJQFPWMLFIB-LJQANCHMSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001690501617 1404615035 /nfs/dbraw/zinc/61/50/35/1404615035.db2.gz NJLXDIFZXLXAPH-QZTJIDSGSA-N 2 0 337.552 3.147 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001690504443 1404616843 /nfs/dbraw/zinc/61/68/43/1404616843.db2.gz DINOUAPUPSWBJK-RTBURBONSA-N 2 0 349.563 3.269 10 30 EGEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)(C)C ZINC001725748823 1426427029 /nfs/dbraw/zinc/42/70/29/1426427029.db2.gz DBUBCBOIDVSPRR-ZWKOTPCHSA-N 2 0 337.552 3.336 10 30 EGEERP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001691434874 1405268127 /nfs/dbraw/zinc/26/81/27/1405268127.db2.gz SKKGBEIMHHWTOF-RLLQIKCJSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001691813972 1405527547 /nfs/dbraw/zinc/52/75/47/1405527547.db2.gz OTXKIXYEMKVQLT-MSOLQXFVSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1CC ZINC001699605574 1412969267 /nfs/dbraw/zinc/96/92/67/1412969267.db2.gz KGWIICYELDZPGY-RDJZCZTQSA-N 2 0 349.544 3.216 10 30 EGEERP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001699875207 1413330456 /nfs/dbraw/zinc/33/04/56/1413330456.db2.gz SXTGDVQJDPWLEA-ICSRJNTNSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)CCC[NH+]3CCCC3)cc2C1 ZINC001700253000 1413701760 /nfs/dbraw/zinc/70/17/60/1413701760.db2.gz LZZROTOOPJEOJQ-UHFFFAOYSA-N 2 0 341.499 3.071 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2C1 ZINC001700253124 1413702171 /nfs/dbraw/zinc/70/21/71/1413702171.db2.gz ZDYQOFUBIPRKSI-QGZVFWFLSA-N 2 0 341.499 3.069 10 30 EGEERP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001700692581 1414345549 /nfs/dbraw/zinc/34/55/49/1414345549.db2.gz JIXOBKLJZGGMSX-MJGOQNOKSA-N 2 0 335.536 3.137 10 30 EGEERP C=CCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001712999934 1417553245 /nfs/dbraw/zinc/55/32/45/1417553245.db2.gz PDXDUKOISRJDOM-QZTJIDSGSA-N 2 0 337.552 3.290 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001713216243 1417792256 /nfs/dbraw/zinc/79/22/56/1417792256.db2.gz BPDBCCKWDGQZFG-MOPGFXCFSA-N 2 0 337.552 3.269 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001733075032 1429229930 /nfs/dbraw/zinc/22/99/30/1429229930.db2.gz KFYBKPLJGUKFAJ-QFBILLFUSA-N 2 0 340.471 3.097 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713899851 1418699388 /nfs/dbraw/zinc/69/93/88/1418699388.db2.gz KTQNUEAUHNRLLP-WOJBJXKFSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001733180844 1429282610 /nfs/dbraw/zinc/28/26/10/1429282610.db2.gz MIQJJEGDIBLKHQ-PMACEKPBSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001733201835 1429306304 /nfs/dbraw/zinc/30/63/04/1429306304.db2.gz QNEMYXMXSQNWBW-QZTJIDSGSA-N 2 0 337.552 3.147 10 30 EGEERP CCCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001714448466 1419180942 /nfs/dbraw/zinc/18/09/42/1419180942.db2.gz KDQKEEUSJGWYFH-RBUKOAKNSA-N 2 0 337.552 3.221 10 30 EGEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC001714972917 1419707511 /nfs/dbraw/zinc/70/75/11/1419707511.db2.gz AJUXQRMEEHJCDD-VQTJNVASSA-N 2 0 347.547 3.234 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001715021255 1419752551 /nfs/dbraw/zinc/75/25/51/1419752551.db2.gz VGPWPWIPSMUQKH-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001715048706 1419789643 /nfs/dbraw/zinc/78/96/43/1419789643.db2.gz XOIWIDPDKOZOCO-RBUKOAKNSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001715249110 1419974926 /nfs/dbraw/zinc/97/49/26/1419974926.db2.gz TXAGJJLUFVYNCO-IEBWSBKVSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001715458481 1420139314 /nfs/dbraw/zinc/13/93/14/1420139314.db2.gz IYJZJDAQOXBCPY-ICSRJNTNSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1CC ZINC001716636121 1420793877 /nfs/dbraw/zinc/79/38/77/1420793877.db2.gz HLGBTVIAPGOGDY-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001716715216 1420870652 /nfs/dbraw/zinc/87/06/52/1420870652.db2.gz PGDOGXMRCUAXIL-UHFFFAOYSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001716724371 1420882535 /nfs/dbraw/zinc/88/25/35/1420882535.db2.gz DJOCTOVDHJMFPQ-PZJWPPBQSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001716724369 1420882985 /nfs/dbraw/zinc/88/29/85/1420882985.db2.gz DJOCTOVDHJMFPQ-CTNGQTDRSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001716734328 1420892863 /nfs/dbraw/zinc/89/28/63/1420892863.db2.gz RUESWUAAEPAGGF-NRFANRHFSA-N 2 0 347.547 3.143 10 30 EGEERP C=CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1CCC)C1CCCCCC1 ZINC001733278538 1429446678 /nfs/dbraw/zinc/44/66/78/1429446678.db2.gz SMPKAQBMIWKTGG-LJQANCHMSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCC1 ZINC001716818328 1420944575 /nfs/dbraw/zinc/94/45/75/1420944575.db2.gz BETFWMWPSAFUKR-IBGZPJMESA-N 2 0 347.547 3.093 10 30 EGEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001716871855 1420999055 /nfs/dbraw/zinc/99/90/55/1420999055.db2.gz WZGHYJKQISOVHA-FPOVZHCZSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001716895885 1421023125 /nfs/dbraw/zinc/02/31/25/1421023125.db2.gz NKCYIFYXGOVMJH-QUCCMNQESA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001717198229 1421164759 /nfs/dbraw/zinc/16/47/59/1421164759.db2.gz NSXGTEMKUVAXPO-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001733287694 1429463243 /nfs/dbraw/zinc/46/32/43/1429463243.db2.gz RJGQLMWMJRQRMS-FPOVZHCZSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001717454005 1421383241 /nfs/dbraw/zinc/38/32/41/1421383241.db2.gz LNZLPWDFSNHXIC-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(C)(C)C ZINC001717964301 1421735647 /nfs/dbraw/zinc/73/56/47/1421735647.db2.gz RUOZYZAEHRGDOY-QGZVFWFLSA-N 2 0 337.552 3.195 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C(C)(C)C ZINC001717964814 1421736654 /nfs/dbraw/zinc/73/66/54/1421736654.db2.gz DZLAKXWAUWUGGH-ROUUACIJSA-N 2 0 337.552 3.195 10 30 EGEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001717980048 1421751211 /nfs/dbraw/zinc/75/12/11/1421751211.db2.gz SVABXJHMOQASOK-UYAOXDASSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001733452824 1429666027 /nfs/dbraw/zinc/66/60/27/1429666027.db2.gz XHOKVAZNBIIJLN-UHFFFAOYSA-N 2 0 343.515 3.156 10 30 EGEERP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001733457409 1429676552 /nfs/dbraw/zinc/67/65/52/1429676552.db2.gz CUQDVMVAZQSOSX-OAQYLSRUSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001723720301 1424546290 /nfs/dbraw/zinc/54/62/90/1424546290.db2.gz YKUUHFANZVBZQO-HXUWFJFHSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001724644596 1424996776 /nfs/dbraw/zinc/99/67/76/1424996776.db2.gz BCLBTLVSFMKHER-VAMGGRTRSA-N 2 0 347.547 3.282 10 30 EGEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001724743120 1425110889 /nfs/dbraw/zinc/11/08/89/1425110889.db2.gz MVKBZVACBLLPPB-XLIONFOSSA-N 2 0 343.515 3.402 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001724936011 1425320581 /nfs/dbraw/zinc/32/05/81/1425320581.db2.gz NULSTNBYYFSLSN-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC001725286447 1425926017 /nfs/dbraw/zinc/92/60/17/1425926017.db2.gz RISMXTRFOWGZRW-IPMKNSEASA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC1(C)C ZINC001725677252 1426363031 /nfs/dbraw/zinc/36/30/31/1426363031.db2.gz NQYGZNLEINDMQT-HKUYNNGSSA-N 2 0 349.563 3.288 10 30 EGEERP CCCCCCC[NH2+]C1CC(N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001725788205 1426474318 /nfs/dbraw/zinc/47/43/18/1426474318.db2.gz YJZPAPRWHSDAQB-QLOJAFMTSA-N 2 0 335.536 3.022 10 30 EGEERP C=CCCC[NH+]1CCC[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001731499903 1427479507 /nfs/dbraw/zinc/47/95/07/1427479507.db2.gz AMZWHBXCZQJENY-GOSISDBHSA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001731503321 1427485835 /nfs/dbraw/zinc/48/58/35/1427485835.db2.gz LKCSUCMRBJMVRG-UYAOXDASSA-N 2 0 349.563 3.127 10 30 EGEERP C=CCCC[NH2+]C1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001734013354 1437804570 /nfs/dbraw/zinc/80/45/70/1437804570.db2.gz MTICVLXLMKYCBW-UHFFFAOYSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001750943807 1440117439 /nfs/dbraw/zinc/11/74/39/1440117439.db2.gz HEXRZOKPCNWCNM-HKUYNNGSSA-N 2 0 349.563 3.290 10 30 EGEERP C[N@@H+]1CC[C@H]([NH2+]CCSCc2ccccc2C#N)[C@H]2CCC[C@H]21 ZINC000367616022 168249816 /nfs/dbraw/zinc/24/98/16/168249816.db2.gz MXKIYEHVKCBFKP-CEXWTWQISA-N 2 0 329.513 3.254 10 30 EGEERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000397552520 267181603 /nfs/dbraw/zinc/18/16/03/267181603.db2.gz YQMVDKZFDRKMIT-SFHVURJKSA-N 2 0 349.478 3.236 10 30 EGEERP C=CCOc1ccccc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000237504720 455189969 /nfs/dbraw/zinc/18/99/69/455189969.db2.gz VEBIXDIPTDWSIJ-QZTJIDSGSA-N 2 0 332.488 3.230 10 30 EGEERP C=CCc1cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc(OC)c1O ZINC000414806247 458325571 /nfs/dbraw/zinc/32/55/71/458325571.db2.gz HMLPDWUCLSXMBZ-CQSZACIVSA-N 2 0 326.440 3.439 10 30 EGEERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[C@@H](C)O1 ZINC000594514063 459072758 /nfs/dbraw/zinc/07/27/58/459072758.db2.gz OWHFKUSVCFAXDX-QZTJIDSGSA-N 2 0 343.515 3.467 10 30 EGEERP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000594436251 460220328 /nfs/dbraw/zinc/22/03/28/460220328.db2.gz CDCXOAISXSWKDL-IBGZPJMESA-N 2 0 342.487 3.412 10 30 EGEERP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000651758672 462327254 /nfs/dbraw/zinc/32/72/54/462327254.db2.gz JNAMPMMZTCNBEV-DUXKGJEZSA-N 2 0 328.500 3.478 10 30 EGEERP C=C(C)C[NH+]1CCC(NC(N[C@@H]2C[C@H]2C2CCCCC2)=[NH+]C)CC1 ZINC000262391503 1296628895 /nfs/dbraw/zinc/62/88/95/1296628895.db2.gz MEZCIFRPNBVEOC-RBUKOAKNSA-N 2 0 332.536 3.161 10 30 EGEERP C=CCC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCO1 ZINC000883199871 1302300163 /nfs/dbraw/zinc/30/01/63/1302300163.db2.gz RWXXAVHRHZXTAR-VQTJNVASSA-N 2 0 329.488 3.401 10 30 EGEERP C=CCN1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886524419 1303486677 /nfs/dbraw/zinc/48/66/77/1303486677.db2.gz KKFZWLXKEBZULG-BVSLBCMMSA-N 2 0 339.527 3.280 10 30 EGEERP C#C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000895332896 1309286245 /nfs/dbraw/zinc/28/62/45/1309286245.db2.gz QVXGYHDNGNWCKU-WSWWRLHASA-N 2 0 338.495 3.058 10 30 EGEERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000925701958 1325264402 /nfs/dbraw/zinc/26/44/02/1325264402.db2.gz IOTGPGFIYXYUAA-UYAOXDASSA-N 2 0 340.515 3.018 10 30 EGEERP CC1(C)C[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C[C@@H]([NH3+])C1 ZINC000925701957 1325265086 /nfs/dbraw/zinc/26/50/86/1325265086.db2.gz IOTGPGFIYXYUAA-QUCCMNQESA-N 2 0 340.515 3.018 10 30 EGEERP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(C#N)cc1 ZINC000925817574 1325315350 /nfs/dbraw/zinc/31/53/50/1325315350.db2.gz QLFCYKYAWPSOFG-QFIPXVFZSA-N 2 0 348.494 3.204 10 30 EGEERP C#CC[C@H](CCOC)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000862548291 1329495943 /nfs/dbraw/zinc/49/59/43/1329495943.db2.gz BWGRVBWAUGYMKR-UYAOXDASSA-N 2 0 328.500 3.100 10 30 EGEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940737020 1331173464 /nfs/dbraw/zinc/17/34/64/1331173464.db2.gz MCFNMGMKCDQPMT-MSOLQXFVSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076273 1331321974 /nfs/dbraw/zinc/32/19/74/1331321974.db2.gz VCGCCUWWUACIOB-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001323871176 1387483278 /nfs/dbraw/zinc/48/32/78/1387483278.db2.gz ARYIOGYXIVIWHP-CTNGQTDRSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266540839 1377329842 /nfs/dbraw/zinc/32/98/42/1377329842.db2.gz LOHTXZZPXGGAME-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001279045638 1378296790 /nfs/dbraw/zinc/29/67/90/1378296790.db2.gz LJFPPOCGNAMMPT-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001282667666 1378541098 /nfs/dbraw/zinc/54/10/98/1378541098.db2.gz ZCCLVMNDEAZCOH-HXUWFJFHSA-N 2 0 347.547 3.025 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001282716812 1378574884 /nfs/dbraw/zinc/57/48/84/1378574884.db2.gz NCUQUYJEYIKDIF-LSDHHAIUSA-N 2 0 349.544 3.215 10 30 EGEERP CCCCCCC[NH+]1CCC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001284702629 1380117850 /nfs/dbraw/zinc/11/78/50/1380117850.db2.gz SNWIVUGQBDIPIT-GOSISDBHSA-N 2 0 349.563 3.269 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001328268161 1388706054 /nfs/dbraw/zinc/70/60/54/1388706054.db2.gz RYRKRFBQSRKZBP-ZWKOTPCHSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316771256 1384570368 /nfs/dbraw/zinc/57/03/68/1384570368.db2.gz RNJIPUDCGRPNDR-VQTJNVASSA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001317106030 1384870523 /nfs/dbraw/zinc/87/05/23/1384870523.db2.gz QCOVSRDAIDPKJK-RTBURBONSA-N 2 0 337.552 3.221 10 30 EGEERP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317131812 1384890800 /nfs/dbraw/zinc/89/08/00/1384890800.db2.gz NELKNAVEUIQORW-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317524722 1385243805 /nfs/dbraw/zinc/24/38/05/1385243805.db2.gz BIWCEGJIPTXNDK-DOTOQJQBSA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001317880058 1385557764 /nfs/dbraw/zinc/55/77/64/1385557764.db2.gz PMEPIKAVCUAORU-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)C[NH2+]C[C@@]1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC[C@@H]1C ZINC001318742190 1385848648 /nfs/dbraw/zinc/84/86/48/1385848648.db2.gz AMRJDYWGMLKJTD-PXNSSMCTSA-N 2 0 337.552 3.195 10 30 EGEERP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001319008616 1385922683 /nfs/dbraw/zinc/92/26/83/1385922683.db2.gz HFMADQDCINUWQV-HOTGVXAUSA-N 2 0 349.906 3.018 10 30 EGEERP C=CCCC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001319385986 1386096540 /nfs/dbraw/zinc/09/65/40/1386096540.db2.gz ROADQCQINFMNMZ-UHFFFAOYSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001319651954 1386234609 /nfs/dbraw/zinc/23/46/09/1386234609.db2.gz SGPPBQHNFVKXIA-RTBURBONSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001319819183 1386315368 /nfs/dbraw/zinc/31/53/68/1386315368.db2.gz SBMARZDJUDFEGQ-RTBURBONSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001329229927 1389028292 /nfs/dbraw/zinc/02/82/92/1389028292.db2.gz DIHMFYSWMBNONL-ACBHZAAOSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001329229928 1389028422 /nfs/dbraw/zinc/02/84/22/1389028422.db2.gz DIHMFYSWMBNONL-CTWPCTMYSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)C[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCCC1 ZINC001329850062 1389236729 /nfs/dbraw/zinc/23/67/29/1389236729.db2.gz YEZOHJTVONAXSG-UHFFFAOYSA-N 2 0 343.515 3.347 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001331438491 1389748207 /nfs/dbraw/zinc/74/82/07/1389748207.db2.gz HLAAUZYBXAKSNL-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[N@@H+](C)CCN(C(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001332740414 1390177296 /nfs/dbraw/zinc/17/72/96/1390177296.db2.gz JUMIQOFJTAKTNI-UHFFFAOYSA-N 2 0 331.504 3.107 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001332993697 1390232606 /nfs/dbraw/zinc/23/26/06/1390232606.db2.gz ZEOPQISBYPCHEP-ROUUACIJSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001479694215 1392325223 /nfs/dbraw/zinc/32/52/23/1392325223.db2.gz NMDSWVBCVQHYJY-LJQANCHMSA-N 2 0 335.536 3.189 10 30 EGEERP C=CCCC[NH2+]C1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001480405583 1392743191 /nfs/dbraw/zinc/74/31/91/1392743191.db2.gz ZVTWIKWSPRZGPM-UHFFFAOYSA-N 2 0 340.471 3.240 10 30 EGEERP C=C(Cl)C[NH2+]C1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001480413269 1392748259 /nfs/dbraw/zinc/74/82/59/1392748259.db2.gz UXFPHEHMBWLRHQ-UHFFFAOYSA-N 2 0 341.927 3.022 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001480825949 1392963312 /nfs/dbraw/zinc/96/33/12/1392963312.db2.gz LBUVKRQGPLQTTC-ICSRJNTNSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001481335408 1393166163 /nfs/dbraw/zinc/16/61/63/1393166163.db2.gz CANARIDDKAFQKW-MSOLQXFVSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001481515904 1394365345 /nfs/dbraw/zinc/36/53/45/1394365345.db2.gz HDBPTAUDMIAPHJ-AZUAARDMSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001491175078 1394459165 /nfs/dbraw/zinc/45/91/65/1394459165.db2.gz UBMFYHUPCDWTNS-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001698954325 1406699480 /nfs/dbraw/zinc/69/94/80/1406699480.db2.gz RTXARZICPXQLCE-HXUWFJFHSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001482001619 1394660655 /nfs/dbraw/zinc/66/06/55/1394660655.db2.gz NIOJXWSOSYWESS-GOSISDBHSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001482044337 1394706417 /nfs/dbraw/zinc/70/64/17/1394706417.db2.gz SZCABYARWLZPDQ-HXUWFJFHSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001484126563 1395266496 /nfs/dbraw/zinc/26/64/96/1395266496.db2.gz WVLVLDCVQCQQRT-PZJWPPBQSA-N 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CCCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001690405737 1404542052 /nfs/dbraw/zinc/54/20/52/1404542052.db2.gz OTRVBBCEVZCIRY-QUCCMNQESA-N 2 0 349.563 3.127 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001690477243 1404598162 /nfs/dbraw/zinc/59/81/62/1404598162.db2.gz FQVXQICTLYWHSG-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001691153827 1405087346 /nfs/dbraw/zinc/08/73/46/1405087346.db2.gz FEGBBSGRCNMZPA-OTWHNJEPSA-N 2 0 337.552 3.125 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001691163371 1405099270 /nfs/dbraw/zinc/09/92/70/1405099270.db2.gz UVVNHCQSLNTQPQ-PKOBYXMFSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001691372697 1405217260 /nfs/dbraw/zinc/21/72/60/1405217260.db2.gz PFPZZJMOCDZGQU-AABGKKOBSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001691738347 1405460393 /nfs/dbraw/zinc/46/03/93/1405460393.db2.gz ITZFVQAHNRTNSY-WOJBJXKFSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001691998512 1405713578 /nfs/dbraw/zinc/71/35/78/1405713578.db2.gz MSPDZDYAELEUAS-KRWDZBQOSA-N 2 0 347.503 3.091 10 30 EGEERP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001691998514 1405713794 /nfs/dbraw/zinc/71/37/94/1405713794.db2.gz MSPDZDYAELEUAS-QGZVFWFLSA-N 2 0 347.503 3.091 10 30 EGEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001692030437 1405747757 /nfs/dbraw/zinc/74/77/57/1405747757.db2.gz RBTFHQZULASKLP-FQEVSTJZSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001732038775 1428263743 /nfs/dbraw/zinc/26/37/43/1428263743.db2.gz LBBNHBGMSLTKFN-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001732314088 1428526042 /nfs/dbraw/zinc/52/60/42/1428526042.db2.gz LBEOBKCYSSCSFP-IHPCNDPISA-N 2 0 349.563 3.479 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001732321578 1428531196 /nfs/dbraw/zinc/53/11/96/1428531196.db2.gz MDUOAVQPCODRLU-IBGZPJMESA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001699067223 1412493729 /nfs/dbraw/zinc/49/37/29/1412493729.db2.gz UAICJVSVVIDAIU-VQTJNVASSA-N 2 0 343.515 3.203 10 30 EGEERP C=C(C)C[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CCCCCC1 ZINC001699683726 1413079131 /nfs/dbraw/zinc/07/91/31/1413079131.db2.gz QSJFNWWTUZZDQZ-UHFFFAOYSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001699753778 1413160727 /nfs/dbraw/zinc/16/07/27/1413160727.db2.gz UPGHMOSZDLRZOS-RDJZCZTQSA-N 2 0 349.544 3.359 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001699755722 1413162523 /nfs/dbraw/zinc/16/25/23/1413162523.db2.gz TZHGKDUIEYYPPK-LJQANCHMSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CCCC1 ZINC001699798982 1413209671 /nfs/dbraw/zinc/20/96/71/1413209671.db2.gz MADHIJHYCGZTLZ-VQTJNVASSA-N 2 0 349.563 3.338 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001732546478 1428723092 /nfs/dbraw/zinc/72/30/92/1428723092.db2.gz DWIVOEIXDZPFDW-NLWGTHIKSA-N 2 0 349.563 3.242 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001700290467 1413741227 /nfs/dbraw/zinc/74/12/27/1413741227.db2.gz OJYZMJSCXMKERM-QZTJIDSGSA-N 2 0 337.552 3.268 10 30 EGEERP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001700529217 1414195138 /nfs/dbraw/zinc/19/51/38/1414195138.db2.gz RBJBGINXQWCCPM-GOSISDBHSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001701008145 1414665139 /nfs/dbraw/zinc/66/51/39/1414665139.db2.gz AYVUWXHXAFJJMD-UYAOXDASSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001732893794 1429031531 /nfs/dbraw/zinc/03/15/31/1429031531.db2.gz WUQBMMGDLJWALY-GHOSXJJBSA-N 2 0 333.520 3.012 10 30 EGEERP C=C(C)CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001712966381 1417520347 /nfs/dbraw/zinc/52/03/47/1417520347.db2.gz CGBJGDPUBOZRBN-LJQANCHMSA-N 2 0 335.536 3.188 10 30 EGEERP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001712999061 1417551440 /nfs/dbraw/zinc/55/14/40/1417551440.db2.gz JPNOJVJOIBGBOW-MJGOQNOKSA-N 2 0 335.536 3.186 10 30 EGEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001712999058 1417551482 /nfs/dbraw/zinc/55/14/82/1417551482.db2.gz JPNOJVJOIBGBOW-HKUYNNGSSA-N 2 0 335.536 3.186 10 30 EGEERP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001713096694 1417646348 /nfs/dbraw/zinc/64/63/48/1417646348.db2.gz DOFFHKDOUIMAHU-RBUKOAKNSA-N 2 0 349.563 3.269 10 30 EGEERP C=CCCC[NH+]1CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713531909 1418280566 /nfs/dbraw/zinc/28/05/66/1418280566.db2.gz JRCJSLKZPUNUDQ-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001713847094 1418643182 /nfs/dbraw/zinc/64/31/82/1418643182.db2.gz HXMYZDSPAMALIK-GOSISDBHSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001714153641 1418960958 /nfs/dbraw/zinc/96/09/58/1418960958.db2.gz KGPCIBALACXPDQ-ROUUACIJSA-N 2 0 337.552 3.147 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001714327057 1419106132 /nfs/dbraw/zinc/10/61/32/1419106132.db2.gz IMAXTJNSDSGZCW-WOJBJXKFSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001714400616 1419143579 /nfs/dbraw/zinc/14/35/79/1419143579.db2.gz BOYAZZZVOMMFKZ-SJORKVTESA-N 2 0 349.544 3.407 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001715545572 1420242817 /nfs/dbraw/zinc/24/28/17/1420242817.db2.gz QAWOCIPPNXHXKG-UYAOXDASSA-N 2 0 349.563 3.364 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001716063188 1420523059 /nfs/dbraw/zinc/52/30/59/1420523059.db2.gz KDIFKCKKQOIECS-APWZRJJASA-N 2 0 340.471 3.097 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001716712078 1420864626 /nfs/dbraw/zinc/86/46/26/1420864626.db2.gz VKMIXYGZSNVAMJ-CEXWTWQISA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001716763187 1420909791 /nfs/dbraw/zinc/90/97/91/1420909791.db2.gz CQQZCIBPZMMRSH-MSOLQXFVSA-N 2 0 335.536 3.186 10 30 EGEERP 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 1421069464 /nfs/dbraw/zinc/06/94/64/1421069464.db2.gz DTIRWCRZMFVKQT-FCGDIQPGSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001717242069 1421210753 /nfs/dbraw/zinc/21/07/53/1421210753.db2.gz KRMKFOMRZQLRGH-IBGZPJMESA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001717246501 1421217566 /nfs/dbraw/zinc/21/75/66/1421217566.db2.gz NMJILLPFJWIIGU-GHTZIAJQSA-N 2 0 347.547 3.140 10 30 EGEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001717355810 1421290764 /nfs/dbraw/zinc/29/07/64/1421290764.db2.gz AUDPFOVRXFHQOP-HXUWFJFHSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001717357056 1421292527 /nfs/dbraw/zinc/29/25/27/1421292527.db2.gz VVOAQNYTCBVHDN-ICSRJNTNSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCCCC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001717581862 1421508393 /nfs/dbraw/zinc/50/83/93/1421508393.db2.gz ATKOAZLIXNKABV-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001717589101 1421518246 /nfs/dbraw/zinc/51/82/46/1421518246.db2.gz LXSBNEXXHSVVCT-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001717721812 1421590248 /nfs/dbraw/zinc/59/02/48/1421590248.db2.gz QCDDQHKMOHSNJZ-DLBZAZTESA-N 2 0 343.943 3.124 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001733448695 1429659621 /nfs/dbraw/zinc/65/96/21/1429659621.db2.gz PHCMCHBBZLSJCA-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001723649589 1424515090 /nfs/dbraw/zinc/51/50/90/1424515090.db2.gz RSBAJJGIXPQUKU-HXUWFJFHSA-N 2 0 347.547 3.138 10 30 EGEERP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001724294782 1424779967 /nfs/dbraw/zinc/77/99/67/1424779967.db2.gz YPKYRHBOKXZJID-MOPGFXCFSA-N 2 0 347.547 3.188 10 30 EGEERP 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 1429766195 /nfs/dbraw/zinc/76/61/95/1429766195.db2.gz GAYHQNQOECGBOM-FSGKZVOOSA-N 2 0 347.547 3.042 10 30 EGEERP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001724614748 1424960285 /nfs/dbraw/zinc/96/02/85/1424960285.db2.gz AVUVCXCZAVPHSK-HXUWFJFHSA-N 2 0 343.515 3.055 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001724644598 1424996964 /nfs/dbraw/zinc/99/69/64/1424996964.db2.gz BCLBTLVSFMKHER-XUVXKRRUSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001724981243 1425383680 /nfs/dbraw/zinc/38/36/80/1425383680.db2.gz XOBCQFUYLOQRAN-OALUTQOASA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001731290638 1427232614 /nfs/dbraw/zinc/23/26/14/1427232614.db2.gz AXRSUTXKXBDXLK-PKOBYXMFSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001731295587 1427238122 /nfs/dbraw/zinc/23/81/22/1427238122.db2.gz FQBGCVZGGNCSJP-YLJYHZDGSA-N 2 0 343.515 3.297 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001731296605 1427239401 /nfs/dbraw/zinc/23/94/01/1427239401.db2.gz YGWKIULKGYTZHQ-PKOBYXMFSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001731387641 1427335682 /nfs/dbraw/zinc/33/56/82/1427335682.db2.gz SFBAUVYEWRCEDA-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP CCCCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001731515166 1427502303 /nfs/dbraw/zinc/50/23/03/1427502303.db2.gz JQJSMGTYBITHAS-CEXWTWQISA-N 2 0 337.552 3.125 10 30 EGEERP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001731541504 1427549492 /nfs/dbraw/zinc/54/94/92/1427549492.db2.gz CBVRRMSFRYREBX-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001731995456 1428204428 /nfs/dbraw/zinc/20/44/28/1428204428.db2.gz GKFHIYIKURRFPF-QGZVFWFLSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)CC[NH2+]CC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCCC1 ZINC001734090149 1437874529 /nfs/dbraw/zinc/87/45/29/1437874529.db2.gz OYDCDOIXHQGRHC-UHFFFAOYSA-N 2 0 337.552 3.339 10 30 EGEERP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001734106643 1437892805 /nfs/dbraw/zinc/89/28/05/1437892805.db2.gz RXCVXJAKVVHVGA-IBGZPJMESA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001734506541 1438137230 /nfs/dbraw/zinc/13/72/30/1438137230.db2.gz ZFWVAYBJIAYCHF-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001734583282 1438174135 /nfs/dbraw/zinc/17/41/35/1438174135.db2.gz ULZOCODXNOJARG-IEBWSBKVSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001734613134 1438187301 /nfs/dbraw/zinc/18/73/01/1438187301.db2.gz PBGRRBLSCGPXQU-IEBWSBKVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001750943809 1440117548 /nfs/dbraw/zinc/11/75/48/1440117548.db2.gz HEXRZOKPCNWCNM-IEBWSBKVSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001750946229 1440118777 /nfs/dbraw/zinc/11/87/77/1440118777.db2.gz YOHTVZGEEHTAPQ-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C[N@@H+]1CCC[C@@H]2CN(Cc3cccn3Cc3ccccc3C#N)CC[C@H]21 ZINC000249453176 455756549 /nfs/dbraw/zinc/75/65/49/455756549.db2.gz CUNIZYUMCNPDAE-IFMALSPDSA-N 2 0 348.494 3.324 10 30 EGEERP [NH2+]=C(Nc1cccc2c1CCCC2)NC1CC([NH+]2CCCCC2)C1 ZINC000262498721 456040893 /nfs/dbraw/zinc/04/08/93/456040893.db2.gz XNJCMYVRTGLPAM-UHFFFAOYSA-N 2 0 326.488 3.309 10 30 EGEERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000397552519 457487806 /nfs/dbraw/zinc/48/78/06/457487806.db2.gz YQMVDKZFDRKMIT-GOSISDBHSA-N 2 0 349.478 3.236 10 30 EGEERP C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415033837 458327530 /nfs/dbraw/zinc/32/75/30/458327530.db2.gz CCKIIGYWWNAHJC-MSOLQXFVSA-N 2 0 330.472 3.224 10 30 EGEERP C[NH2+]CCC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000595887091 459474939 /nfs/dbraw/zinc/47/49/39/459474939.db2.gz AGXCPVIEAZBIJL-UHFFFAOYSA-N 2 0 325.378 3.399 10 30 EGEERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597022500 459819179 /nfs/dbraw/zinc/81/91/79/459819179.db2.gz UHPGQIPNZDLZOW-FQEVSTJZSA-N 2 0 341.499 3.174 10 30 EGEERP CN(C(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000252570763 1296461541 /nfs/dbraw/zinc/46/15/41/1296461541.db2.gz XCJFIBMJSUDHRY-PBHICJAKSA-N 2 0 334.895 3.132 10 30 EGEERP COc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000708525900 1298240809 /nfs/dbraw/zinc/24/08/09/1298240809.db2.gz CNWMHUWGIYRHAB-DYESRHJHSA-N 2 0 349.478 3.425 10 30 EGEERP C=CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000883172487 1302283970 /nfs/dbraw/zinc/28/39/70/1302283970.db2.gz IJSUULGLTDRVOL-TZIWHRDSSA-N 2 0 329.532 3.180 10 30 EGEERP C=CCC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883193067 1302298244 /nfs/dbraw/zinc/29/82/44/1302298244.db2.gz NTAPPOCCDXNCLT-UXHICEINSA-N 2 0 349.563 3.040 10 30 EGEERP C[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CCN1c1cc[nH+]cc1 ZINC000895557146 1309400293 /nfs/dbraw/zinc/40/02/93/1309400293.db2.gz MYTYVFHVBUUXJV-KRWDZBQOSA-N 2 0 332.451 3.347 10 30 EGEERP N#Cc1cncc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000930135152 1328793779 /nfs/dbraw/zinc/79/37/79/1328793779.db2.gz AKAQKYZIJKLSHC-UHFFFAOYSA-N 2 0 346.478 3.441 10 30 EGEERP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000923428094 1322750646 /nfs/dbraw/zinc/75/06/46/1322750646.db2.gz WEJIGJHZDSLZDD-DUXKGJEZSA-N 2 0 341.499 3.211 10 30 EGEERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000925643656 1325244739 /nfs/dbraw/zinc/24/47/39/1325244739.db2.gz GVGFIVHMVLDTBY-PBHCIXSXSA-N 2 0 342.487 3.139 10 30 EGEERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC000925725810 1325270740 /nfs/dbraw/zinc/27/07/40/1325270740.db2.gz NYQVSXDOVASUJI-WMZOPIPTSA-N 2 0 326.488 3.023 10 30 EGEERP 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 1388016320 /nfs/dbraw/zinc/01/63/20/1388016320.db2.gz SXDZTBBWZRNEAN-OUUBHVDSSA-N 2 0 349.563 3.287 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001266238045 1377241352 /nfs/dbraw/zinc/24/13/52/1377241352.db2.gz JHESGOHFBCMUOQ-IBGZPJMESA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001327299932 1388490608 /nfs/dbraw/zinc/49/06/08/1388490608.db2.gz QYSHLYKKAUWJCA-WOJBJXKFSA-N 2 0 349.563 3.245 10 30 EGEERP CCCCCCC[N@H+](C)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001283332085 1378815274 /nfs/dbraw/zinc/81/52/74/1378815274.db2.gz PCRXNGPYENLOTM-SFHVURJKSA-N 2 0 337.552 3.221 10 30 EGEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001284631246 1380035246 /nfs/dbraw/zinc/03/52/46/1380035246.db2.gz MNJHFSDMKZGTDH-CVEARBPZSA-N 2 0 343.943 3.124 10 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ZINC001319651182 1386233714 /nfs/dbraw/zinc/23/37/14/1386233714.db2.gz LCGVVFOCAXSIIS-MOPGFXCFSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001319709004 1386262481 /nfs/dbraw/zinc/26/24/81/1386262481.db2.gz NZNWTOXKJHTQOK-PXNSSMCTSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001319807640 1386306402 /nfs/dbraw/zinc/30/64/02/1386306402.db2.gz IYVUBWPOPIGLSU-NVXWUHKLSA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)C[N@@H+](CC)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001180437556 1386797422 /nfs/dbraw/zinc/79/74/22/1386797422.db2.gz KVKAEPHCLUIUNA-UHFFFAOYSA-N 2 0 326.387 3.468 10 30 EGEERP C=CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001698700288 1406342940 /nfs/dbraw/zinc/34/29/40/1406342940.db2.gz UCJPOBZSUKFFFH-HXUWFJFHSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001698710421 1406352420 /nfs/dbraw/zinc/35/24/20/1406352420.db2.gz ZVTWIKWSPRZGPM-QAQDUYKDSA-N 2 0 340.471 3.240 10 30 EGEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001698719882 1406365260 /nfs/dbraw/zinc/36/52/60/1406365260.db2.gz KGVLLQBJKVASBT-UXHICEINSA-N 2 0 343.515 3.089 10 30 EGEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001698719883 1406364863 /nfs/dbraw/zinc/36/48/63/1406364863.db2.gz KGVLLQBJKVASBT-VQTJNVASSA-N 2 0 343.515 3.089 10 30 EGEERP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001329935845 1389264500 /nfs/dbraw/zinc/26/45/00/1389264500.db2.gz GZSYHNMIFPTMAC-LJQANCHMSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001698800560 1406474948 /nfs/dbraw/zinc/47/49/48/1406474948.db2.gz MEJKMBZNESIILZ-SQNIBIBYSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC(C)(C)C1 ZINC001479746828 1392363648 /nfs/dbraw/zinc/36/36/48/1392363648.db2.gz VXVYTJRKQIJXIC-KRWDZBQOSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001479748609 1392366674 /nfs/dbraw/zinc/36/66/74/1392366674.db2.gz YZMIKTHHJBQQNC-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480363832 1392707999 /nfs/dbraw/zinc/70/79/99/1392707999.db2.gz ZWYOCJCIWPJTRD-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480829935 1392969547 /nfs/dbraw/zinc/96/95/47/1392969547.db2.gz PXBXGCUGROQUNX-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001490597298 1394278727 /nfs/dbraw/zinc/27/87/27/1394278727.db2.gz OYTVNMPAFPJFFU-RBUKOAKNSA-N 2 0 349.563 3.412 10 30 EGEERP C=CCC[NH+]1CC2(C1)CCN(C(=O)CC[N@@H+](C)C1CCCCC1)CC2 ZINC001482242270 1394838874 /nfs/dbraw/zinc/83/88/74/1394838874.db2.gz CDXOVBBIJWGAPZ-UHFFFAOYSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001483847617 1395114693 /nfs/dbraw/zinc/11/46/93/1395114693.db2.gz IOHCLIRALSWKRF-CTNGQTDRSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001485257857 1395743290 /nfs/dbraw/zinc/74/32/90/1395743290.db2.gz UMPSZUIVZDSVIH-UHFFFAOYSA-N 2 0 337.552 3.149 10 30 EGEERP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001485484743 1395971487 /nfs/dbraw/zinc/97/14/87/1395971487.db2.gz KNWYVUOBKUYFAW-IBGZPJMESA-N 2 0 335.536 3.189 10 30 EGEERP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC001485570330 1396036107 /nfs/dbraw/zinc/03/61/07/1396036107.db2.gz RBEHIGFTOGIUIM-RTBURBONSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001493832088 1396343584 /nfs/dbraw/zinc/34/35/84/1396343584.db2.gz WVCJZTFULLAFFQ-DLBZAZTESA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001496338985 1396656285 /nfs/dbraw/zinc/65/62/85/1396656285.db2.gz DSJUGKDMIBRMPP-DOTOQJQBSA-N 2 0 349.544 3.216 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001699027537 1406863983 /nfs/dbraw/zinc/86/39/83/1406863983.db2.gz IONWWUNHHDRXPY-HKUYNNGSSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001690126880 1404320681 /nfs/dbraw/zinc/32/06/81/1404320681.db2.gz XOMSQAKYGFOADH-RBUKOAKNSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001690216082 1404424646 /nfs/dbraw/zinc/42/46/46/1404424646.db2.gz IYASQYJRNOXIQX-YSTOQKLRSA-N 2 0 347.547 3.137 10 30 EGEERP C=C(C)C[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001690493003 1404606713 /nfs/dbraw/zinc/60/67/13/1404606713.db2.gz XTPCXWUNOQVGRC-MOPGFXCFSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001690501718 1404614538 /nfs/dbraw/zinc/61/45/38/1404614538.db2.gz OOKIPCUSRAGVSZ-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001690814202 1404748924 /nfs/dbraw/zinc/74/89/24/1404748924.db2.gz CAYCLIJRRIBSOA-VQTJNVASSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001691904487 1405627157 /nfs/dbraw/zinc/62/71/57/1405627157.db2.gz WFHOKCNXVBUVMN-OKZBNKHCSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691910030 1405635153 /nfs/dbraw/zinc/63/51/53/1405635153.db2.gz FJMIXAHUWMYLPP-NSHGMRRFSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001692124765 1405785842 /nfs/dbraw/zinc/78/58/42/1405785842.db2.gz PPLFDGAZKZGUOM-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001692328776 1405947050 /nfs/dbraw/zinc/94/70/50/1405947050.db2.gz ABGKTNKFVZGVQG-HXUWFJFHSA-N 2 0 343.515 3.299 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001692332976 1405952707 /nfs/dbraw/zinc/95/27/07/1405952707.db2.gz JFPPGWOZZJAVSF-UXHICEINSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1CC ZINC001699607823 1412971900 /nfs/dbraw/zinc/97/19/00/1412971900.db2.gz SLBAYVVTICGQAY-UYAOXDASSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCCC[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001699822171 1413243760 /nfs/dbraw/zinc/24/37/60/1413243760.db2.gz CMEGDWWZBZVAPS-HXUWFJFHSA-N 2 0 335.536 3.188 10 30 EGEERP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001699991587 1413438895 /nfs/dbraw/zinc/43/88/95/1413438895.db2.gz QLEIOANWHPIRNS-BGYRXZFFSA-N 2 0 349.563 3.079 10 30 EGEERP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001700221775 1413669261 /nfs/dbraw/zinc/66/92/61/1413669261.db2.gz BWRIYCMFBDQTLY-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C(C)(C)C1 ZINC001700292466 1413747187 /nfs/dbraw/zinc/74/71/87/1413747187.db2.gz KSDVXFVJWAFSTK-MOPGFXCFSA-N 2 0 343.515 3.082 10 30 EGEERP C=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001700512574 1414162342 /nfs/dbraw/zinc/16/23/42/1414162342.db2.gz YIXXCYIVQAKSQZ-SFHVURJKSA-N 2 0 347.547 3.236 10 30 EGEERP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001700725152 1414386579 /nfs/dbraw/zinc/38/65/79/1414386579.db2.gz QYVXBESAQQJUEG-IBGZPJMESA-N 2 0 340.471 3.049 10 30 EGEERP C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001707138008 1417218000 /nfs/dbraw/zinc/21/80/00/1417218000.db2.gz GFSCINBIDABRHQ-RTBURBONSA-N 2 0 349.563 3.291 10 30 EGEERP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001707174949 1417229114 /nfs/dbraw/zinc/22/91/14/1417229114.db2.gz TWWCUROGTHNTMN-QZTJIDSGSA-N 2 0 337.552 3.147 10 30 EGEERP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001707175628 1417229552 /nfs/dbraw/zinc/22/95/52/1417229552.db2.gz ZCWITEKHULUTMN-HSALFYBXSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001707449343 1417353462 /nfs/dbraw/zinc/35/34/62/1417353462.db2.gz VZHUQNQLPDXBFC-PKOBYXMFSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001713414512 1418038073 /nfs/dbraw/zinc/03/80/73/1418038073.db2.gz COTKIALUYPUETA-IEBWSBKVSA-N 2 0 335.536 3.234 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001713681233 1418433050 /nfs/dbraw/zinc/43/30/50/1418433050.db2.gz CPRCUMXKCHQVHU-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713720088 1418490997 /nfs/dbraw/zinc/49/09/97/1418490997.db2.gz NUDJMCIULBWVKZ-RBUKOAKNSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001713764850 1418577470 /nfs/dbraw/zinc/57/74/70/1418577470.db2.gz RSARHWIFADAZGK-UXHICEINSA-N 2 0 347.547 3.140 10 30 EGEERP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001713951611 1418735656 /nfs/dbraw/zinc/73/56/56/1418735656.db2.gz GNOIKALJXODVLU-VJANTYMQSA-N 2 0 335.536 3.211 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713952658 1418736236 /nfs/dbraw/zinc/73/62/36/1418736236.db2.gz LWMWTBHFHSLDSU-BRWVUGGUSA-N 2 0 335.536 3.231 10 30 EGEERP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001714803902 1419517288 /nfs/dbraw/zinc/51/72/88/1419517288.db2.gz DPQLYBQIHYMSOG-HKUYNNGSSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[N@@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001714826832 1419536863 /nfs/dbraw/zinc/53/68/63/1419536863.db2.gz VJUNWIRWWYBMHM-UHFFFAOYSA-N 2 0 328.460 3.049 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001715045390 1419785768 /nfs/dbraw/zinc/78/57/68/1419785768.db2.gz OGLZYIBAMAHMIS-MOPGFXCFSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001715392113 1420089580 /nfs/dbraw/zinc/08/95/80/1420089580.db2.gz QFQGTWJKHQUJMX-HNAYVOBHSA-N 2 0 340.471 3.049 10 30 EGEERP C=CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001715460024 1420140471 /nfs/dbraw/zinc/14/04/71/1420140471.db2.gz OHDOTYVCXRLNHA-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001715472188 1420150956 /nfs/dbraw/zinc/15/09/56/1420150956.db2.gz HLDVWMFYPAZXLJ-FXAWDEMLSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001715481925 1420160900 /nfs/dbraw/zinc/16/09/00/1420160900.db2.gz WHCHUQVGWRZVRR-ICSRJNTNSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001716712693 1420865402 /nfs/dbraw/zinc/86/54/02/1420865402.db2.gz UQEDJRXVRCDYLW-MOPGFXCFSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001716876382 1421001865 /nfs/dbraw/zinc/00/18/65/1421001865.db2.gz PYJQKIITJVDHDW-UYAOXDASSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001716900255 1421030848 /nfs/dbraw/zinc/03/08/48/1421030848.db2.gz NQOWOGIRXFJUNX-CTNGQTDRSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001716983930 1421061233 /nfs/dbraw/zinc/06/12/33/1421061233.db2.gz ZSNAIBGWANWRIZ-DOTOQJQBSA-N 2 0 349.544 3.074 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001717002399 1421072147 /nfs/dbraw/zinc/07/21/47/1421072147.db2.gz RUGBZJLNYXOSRG-GUDVDZBRSA-N 2 0 349.563 3.195 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001717038096 1421092726 /nfs/dbraw/zinc/09/27/26/1421092726.db2.gz NOTFQOHNHQOSPU-MOPGFXCFSA-N 2 0 347.547 3.118 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001717127870 1421129264 /nfs/dbraw/zinc/12/92/64/1421129264.db2.gz FYQYMLRUQQBDOR-RBUKOAKNSA-N 2 0 347.547 3.138 10 30 EGEERP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001733287691 1429463514 /nfs/dbraw/zinc/46/35/14/1429463514.db2.gz RJGQLMWMJRQRMS-CTNGQTDRSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001717299987 1421242492 /nfs/dbraw/zinc/24/24/92/1421242492.db2.gz QDXHGDUURRISIU-UHFFFAOYSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001717377341 1421319485 /nfs/dbraw/zinc/31/94/85/1421319485.db2.gz JHRSECUGYGCLMY-HXUWFJFHSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001717536163 1421473913 /nfs/dbraw/zinc/47/39/13/1421473913.db2.gz FJLQNKFYCAGOGP-RBUKOAKNSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001717849093 1421662236 /nfs/dbraw/zinc/66/22/36/1421662236.db2.gz LUEFIOGUUQHPJO-GUDVDZBRSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001718022836 1421777614 /nfs/dbraw/zinc/77/76/14/1421777614.db2.gz KIKKVBODWDAELI-AZUAARDMSA-N 2 0 347.547 3.210 10 30 EGEERP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001733393305 1429585205 /nfs/dbraw/zinc/58/52/05/1429585205.db2.gz RRGOVQKUNNSFCU-OAQYLSRUSA-N 2 0 349.563 3.245 10 30 EGEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001733444480 1429653226 /nfs/dbraw/zinc/65/32/26/1429653226.db2.gz QQHZDLWAVSBJHE-HXUWFJFHSA-N 2 0 347.503 3.139 10 30 EGEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001723964579 1424613106 /nfs/dbraw/zinc/61/31/06/1424613106.db2.gz UJTFVDDBBOHIIH-ZWKOTPCHSA-N 2 0 349.906 3.013 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724330362 1424823354 /nfs/dbraw/zinc/82/33/54/1424823354.db2.gz NXBDDFAWQIEMSK-NQIIRXRSSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001724981239 1425382526 /nfs/dbraw/zinc/38/25/26/1425382526.db2.gz XOBCQFUYLOQRAN-MOPGFXCFSA-N 2 0 349.563 3.291 10 30 EGEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001725145017 1425625777 /nfs/dbraw/zinc/62/57/77/1425625777.db2.gz DIHRPLGMEMXNOZ-GOSISDBHSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001731291737 1427233811 /nfs/dbraw/zinc/23/38/11/1427233811.db2.gz GLQUASLCRMMFSN-XLIONFOSSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001731716851 1427781071 /nfs/dbraw/zinc/78/10/71/1427781071.db2.gz ZVDJNPZQHRFRCT-RTBURBONSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001733782352 1430049395 /nfs/dbraw/zinc/04/93/95/1430049395.db2.gz GOLIYAXGMMXEKA-WOJBJXKFSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001733783057 1430050510 /nfs/dbraw/zinc/05/05/10/1430050510.db2.gz VSRWUKKXXWRJPL-PMACEKPBSA-N 2 0 349.563 3.245 10 30 EGEERP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001734153633 1437920929 /nfs/dbraw/zinc/92/09/29/1437920929.db2.gz JEZACPJPFKDUSQ-RBUKOAKNSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001734503069 1438135731 /nfs/dbraw/zinc/13/57/31/1438135731.db2.gz SNRUMHCQSWRHJC-LJQANCHMSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001734588055 1438178118 /nfs/dbraw/zinc/17/81/18/1438178118.db2.gz SAKILOOVLUSOHE-AZUAARDMSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001750927793 1440111681 /nfs/dbraw/zinc/11/16/81/1440111681.db2.gz ALZYRUTZYHZIQB-IBGZPJMESA-N 2 0 335.536 3.142 10 30 EGEERP COc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1C#N ZINC000135091925 454633243 /nfs/dbraw/zinc/63/32/43/454633243.db2.gz GZKAGVRGCCOVLD-KRWDZBQOSA-N 2 0 336.439 3.204 10 30 EGEERP CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000271917315 455798900 /nfs/dbraw/zinc/79/89/00/455798900.db2.gz ZFHQULXTNKDJRI-CTNGQTDRSA-N 2 0 341.499 3.173 10 30 EGEERP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000280687849 456032297 /nfs/dbraw/zinc/03/22/97/456032297.db2.gz ASOHJUOFNZQYSH-PBASOCQRSA-N 2 0 328.500 3.468 10 30 EGEERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000424193143 458581735 /nfs/dbraw/zinc/58/17/35/458581735.db2.gz JUBIFTXEIBPXOE-PKOBYXMFSA-N 2 0 326.488 3.000 10 30 EGEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000424291555 458605792 /nfs/dbraw/zinc/60/57/92/458605792.db2.gz DPYRRCUKBLQHAF-PPGORRQASA-N 2 0 340.511 3.468 10 30 EGEERP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCCO1 ZINC000594504963 459067189 /nfs/dbraw/zinc/06/71/89/459067189.db2.gz WECREOMGETZIEQ-QGZVFWFLSA-N 2 0 329.488 3.078 10 30 EGEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000567612452 459134047 /nfs/dbraw/zinc/13/40/47/459134047.db2.gz PRVPEOKXDSCRME-UFYCRDLUSA-N 2 0 326.484 3.364 10 30 EGEERP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595069832 459236307 /nfs/dbraw/zinc/23/63/07/459236307.db2.gz LEQAQWKHKKHOGC-VXKWHMMOSA-N 2 0 349.478 3.366 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000876743986 1298953942 /nfs/dbraw/zinc/95/39/42/1298953942.db2.gz OWTJSKREZKTWKA-SFHVURJKSA-N 2 0 349.906 3.149 10 30 EGEERP C=CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000883218268 1302313986 /nfs/dbraw/zinc/31/39/86/1302313986.db2.gz XIERPGJGRGREHW-FPOVZHCZSA-N 2 0 329.532 3.180 10 30 EGEERP C#CC[C@@H](CCOC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000895415478 1309328071 /nfs/dbraw/zinc/32/80/71/1309328071.db2.gz NCUFZXHVNGBRLU-TUFLPTIASA-N 2 0 326.484 3.058 10 30 EGEERP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000921858288 1322413845 /nfs/dbraw/zinc/41/38/45/1322413845.db2.gz CXAYUKUIKIOZLS-SFTDATJTSA-N 2 0 341.499 3.033 10 30 EGEERP Cc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1C#N ZINC000925839020 1325322111 /nfs/dbraw/zinc/32/21/11/1325322111.db2.gz OTWIPYIWTXHOFL-FPOVZHCZSA-N 2 0 333.435 3.212 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940748097 1331177714 /nfs/dbraw/zinc/17/77/14/1331177714.db2.gz UVNMVJOJVSEYFO-SFHVURJKSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940781262 1331191239 /nfs/dbraw/zinc/19/12/39/1331191239.db2.gz YQXRKTPUMNCWGF-INIZCTEOSA-N 2 0 349.544 3.216 10 30 EGEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940786341 1331193330 /nfs/dbraw/zinc/19/33/30/1331193330.db2.gz VDCUQNJARBPENY-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941075414 1331321263 /nfs/dbraw/zinc/32/12/63/1331321263.db2.gz KUWVUGBCTCTSDT-MOPGFXCFSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941075415 1331321336 /nfs/dbraw/zinc/32/13/36/1331321336.db2.gz KUWVUGBCTCTSDT-OALUTQOASA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941094039 1331329538 /nfs/dbraw/zinc/32/95/38/1331329538.db2.gz WHLRGOUXZYJMKK-LJQANCHMSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001326287064 1388142693 /nfs/dbraw/zinc/14/26/93/1388142693.db2.gz LGFAHSXWJQIVNY-QUCCMNQESA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001326488910 1388213419 /nfs/dbraw/zinc/21/34/19/1388213419.db2.gz CEJLWBYFHPANIB-VQIMIIECSA-N 2 0 331.504 3.116 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001267604131 1377463299 /nfs/dbraw/zinc/46/32/99/1377463299.db2.gz KTZLCKSDWCLNIC-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC001274434067 1378124731 /nfs/dbraw/zinc/12/47/31/1378124731.db2.gz ASIKDQRNKADDOZ-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001282973738 1378693974 /nfs/dbraw/zinc/69/39/74/1378693974.db2.gz WHIHEEYVZKWHHR-OALUTQOASA-N 2 0 349.563 3.386 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001284067823 1379426026 /nfs/dbraw/zinc/42/60/26/1379426026.db2.gz CGMHLWJWNYAXEI-WSTZPKSXSA-N 2 0 335.536 3.022 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001284101454 1379472905 /nfs/dbraw/zinc/47/29/05/1379472905.db2.gz JGZSFSMYFNATLF-XUVXKRRUSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC001284651919 1380065568 /nfs/dbraw/zinc/06/55/68/1380065568.db2.gz CPEVFAKUTUXTBL-SFHVURJKSA-N 2 0 331.504 3.058 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001316782860 1384579612 /nfs/dbraw/zinc/57/96/12/1384579612.db2.gz LLFCGXGXNHWKQP-GGPKGHCWSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001316948321 1384719512 /nfs/dbraw/zinc/71/95/12/1384719512.db2.gz UERPXGQOPKNPLL-SFHVURJKSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317208829 1384985753 /nfs/dbraw/zinc/98/57/53/1384985753.db2.gz LUOBHTXSCNTKOU-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317521844 1385239822 /nfs/dbraw/zinc/23/98/22/1385239822.db2.gz FFATZBDSWRNOFL-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001318959599 1385897871 /nfs/dbraw/zinc/89/78/71/1385897871.db2.gz UBYRTDQIYOTUFS-NCXUSEDFSA-N 2 0 335.536 3.233 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001330666766 1389490008 /nfs/dbraw/zinc/49/00/08/1389490008.db2.gz KFWWRJQEXJEHGU-NCXUSEDFSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)C[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001331200173 1389651883 /nfs/dbraw/zinc/65/18/83/1389651883.db2.gz QSHLGTFKSKTQFF-AZUAARDMSA-N 2 0 349.563 3.338 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001332118798 1389995513 /nfs/dbraw/zinc/99/55/13/1389995513.db2.gz QMOUUUPFHHLLOF-TZIWHRDSSA-N 2 0 347.547 3.332 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001332387742 1390103060 /nfs/dbraw/zinc/10/30/60/1390103060.db2.gz MBSSZYYHKDRPCA-ROUUACIJSA-N 2 0 347.547 3.044 10 30 EGEERP CCCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001332940231 1390220410 /nfs/dbraw/zinc/22/04/10/1390220410.db2.gz KOESZNLHVROIOT-IEBWSBKVSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCCC[NH+]1CCC(C2(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC001333191643 1390264709 /nfs/dbraw/zinc/26/47/09/1390264709.db2.gz JUPLMGKWIYOMPO-ROUUACIJSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001479501142 1392258582 /nfs/dbraw/zinc/25/85/82/1392258582.db2.gz JOZHVELSYICSKP-GOSISDBHSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480087578 1392577488 /nfs/dbraw/zinc/57/74/88/1392577488.db2.gz OJFJPISAGGISEV-PMACEKPBSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001480204475 1392622266 /nfs/dbraw/zinc/62/22/66/1392622266.db2.gz KUJMRUKMZWSMOH-MKXGPGLRSA-N 2 0 347.547 3.233 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001480727527 1392888919 /nfs/dbraw/zinc/88/89/19/1392888919.db2.gz XXSLMWDXRVTEHH-QGZVFWFLSA-N 2 0 349.544 3.312 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001698938437 1406678113 /nfs/dbraw/zinc/67/81/13/1406678113.db2.gz NBNZBNYCSQKHKI-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[N@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001698951699 1406692948 /nfs/dbraw/zinc/69/29/48/1406692948.db2.gz HVQRUKGXTQPYHF-UHFFFAOYSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001491110414 1394431126 /nfs/dbraw/zinc/43/11/26/1394431126.db2.gz HFURUDKFUXPJKO-RBUKOAKNSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001491192158 1394465991 /nfs/dbraw/zinc/46/59/91/1394465991.db2.gz ZZXXOCSDEDRJTK-VQTJNVASSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001481986163 1394648088 /nfs/dbraw/zinc/64/80/88/1394648088.db2.gz JVHQMPSHRGBSHL-WOJBJXKFSA-N 2 0 349.563 3.435 10 30 EGEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CCCCC1 ZINC001482410867 1394974957 /nfs/dbraw/zinc/97/49/57/1394974957.db2.gz QOJUBRIFUVWDNL-RBUKOAKNSA-N 2 0 335.536 3.090 10 30 EGEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CCCCC1 ZINC001482410868 1394975002 /nfs/dbraw/zinc/97/50/02/1394975002.db2.gz QOJUBRIFUVWDNL-RTBURBONSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001484126561 1395266433 /nfs/dbraw/zinc/26/64/33/1395266433.db2.gz WVLVLDCVQCQQRT-FPOVZHCZSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001484139032 1395275643 /nfs/dbraw/zinc/27/56/43/1395275643.db2.gz XBVPWXADHOJDMT-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001484171599 1395313083 /nfs/dbraw/zinc/31/30/83/1395313083.db2.gz OXTQTQFZXUWUKG-OAQYLSRUSA-N 2 0 343.515 3.156 10 30 EGEERP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001484176686 1395322714 /nfs/dbraw/zinc/32/27/14/1395322714.db2.gz ZVJSMJAYZMLFQI-FQEVSTJZSA-N 2 0 335.536 3.047 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001484466759 1395403640 /nfs/dbraw/zinc/40/36/40/1395403640.db2.gz WBCXIILBUIZLBJ-HSALFYBXSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001484927556 1395594961 /nfs/dbraw/zinc/59/49/61/1395594961.db2.gz QWVYPDROWIQOMH-UHFFFAOYSA-N 2 0 335.536 3.189 10 30 EGEERP C=CCCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001502730461 1396221701 /nfs/dbraw/zinc/22/17/01/1396221701.db2.gz AAUDMFNVRJKIKD-MJGOQNOKSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001491958283 1396300674 /nfs/dbraw/zinc/30/06/74/1396300674.db2.gz CAVXKYFLQFWVDT-UXHICEINSA-N 2 0 343.515 3.178 10 30 EGEERP C=C(Cl)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001689132405 1396937793 /nfs/dbraw/zinc/93/77/93/1396937793.db2.gz AYLJDZGDDAKAFH-DJIMGWMZSA-N 2 0 343.943 3.076 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001692125269 1405786042 /nfs/dbraw/zinc/78/60/42/1405786042.db2.gz HBLDKZCTHKTZBE-WOJBJXKFSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001692316576 1405935065 /nfs/dbraw/zinc/93/50/65/1405935065.db2.gz QVMKBQISVBZWRN-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001692332975 1405952644 /nfs/dbraw/zinc/95/26/44/1405952644.db2.gz JFPPGWOZZJAVSF-PMACEKPBSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH2+][C@H]1CCCCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001692336406 1405957184 /nfs/dbraw/zinc/95/71/84/1405957184.db2.gz OOXCOOCQWSNYDV-IBGZPJMESA-N 2 0 335.536 3.189 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001732074718 1428325723 /nfs/dbraw/zinc/32/57/23/1428325723.db2.gz JVXZKVSRUFYUJA-AZUAARDMSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001732284207 1428514049 /nfs/dbraw/zinc/51/40/49/1428514049.db2.gz SHSRMMWPTIAXPZ-WOJBJXKFSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001699513702 1412899827 /nfs/dbraw/zinc/89/98/27/1412899827.db2.gz XGOXJALVGFOBIJ-DOTOQJQBSA-N 2 0 349.544 3.264 10 30 EGEERP C=C(C)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCCC1 ZINC001699683697 1413078822 /nfs/dbraw/zinc/07/88/22/1413078822.db2.gz QJWUEAVCPZKFJA-IEBWSBKVSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001699683514 1413078876 /nfs/dbraw/zinc/07/88/76/1413078876.db2.gz HPCRZPUJOKWEQI-UXHICEINSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001699694067 1413101811 /nfs/dbraw/zinc/10/18/11/1413101811.db2.gz AXFDATNZERPJPM-GOSISDBHSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001699981181 1413426875 /nfs/dbraw/zinc/42/68/75/1413426875.db2.gz DMHDTNJLKRATCB-UAFMIMERSA-N 2 0 349.563 3.195 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001700200059 1413642908 /nfs/dbraw/zinc/64/29/08/1413642908.db2.gz DNKSIKZMQDBJEM-SFHVURJKSA-N 2 0 335.536 3.023 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001700295462 1413755953 /nfs/dbraw/zinc/75/59/53/1413755953.db2.gz OJYZMJSCXMKERM-ZWKOTPCHSA-N 2 0 337.552 3.268 10 30 EGEERP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001700520611 1414175006 /nfs/dbraw/zinc/17/50/06/1414175006.db2.gz GTWIMKMZFUCMQQ-IYBDPMFKSA-N 2 0 341.927 3.020 10 30 EGEERP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1(C)C ZINC001700920327 1414572386 /nfs/dbraw/zinc/57/23/86/1414572386.db2.gz XVJHVQMHXHJRDH-LJQANCHMSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001732893799 1429031843 /nfs/dbraw/zinc/03/18/43/1429031843.db2.gz WUQBMMGDLJWALY-LIXSYLKWSA-N 2 0 333.520 3.012 10 30 EGEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001707084447 1417192106 /nfs/dbraw/zinc/19/21/06/1417192106.db2.gz IBZLUQGYEDZWHL-QAQDUYKDSA-N 2 0 335.536 3.090 10 30 EGEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001707160458 1417225174 /nfs/dbraw/zinc/22/51/74/1417225174.db2.gz OLJIJLXZRQPEAE-MJGOQNOKSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001712998034 1417549142 /nfs/dbraw/zinc/54/91/42/1417549142.db2.gz BOHFTBCCGVPMKF-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001713216244 1417792299 /nfs/dbraw/zinc/79/22/99/1417792299.db2.gz BPDBCCKWDGQZFG-OALUTQOASA-N 2 0 337.552 3.269 10 30 EGEERP C=CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001713392387 1418005401 /nfs/dbraw/zinc/00/54/01/1418005401.db2.gz FCVHDRKTJOWHFP-GOSISDBHSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001713910993 1418707134 /nfs/dbraw/zinc/70/71/34/1418707134.db2.gz XDFDMURQXJDUHV-AKHDSKFASA-N 2 0 335.536 3.137 10 30 EGEERP C=C(C)CC[NH2+]C[C@]1(NC(=O)C[N@H+](C)C2CCC2)CCCC[C@@H]1C ZINC001714182927 1418990812 /nfs/dbraw/zinc/99/08/12/1418990812.db2.gz CLFBXVBQPPTWNO-FXAWDEMLSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001714291324 1419070223 /nfs/dbraw/zinc/07/02/23/1419070223.db2.gz QWZSMRJTPHOLGX-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001733201834 1429306726 /nfs/dbraw/zinc/30/67/26/1429306726.db2.gz QNEMYXMXSQNWBW-MSOLQXFVSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001733201837 1429307031 /nfs/dbraw/zinc/30/70/31/1429307031.db2.gz QNEMYXMXSQNWBW-ZWKOTPCHSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCC[NH+]1CCC(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001714328352 1419107194 /nfs/dbraw/zinc/10/71/94/1419107194.db2.gz CYVYVZZITAZTMV-UHFFFAOYSA-N 2 0 349.563 3.293 10 30 EGEERP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001714405637 1419147361 /nfs/dbraw/zinc/14/73/61/1419147361.db2.gz CTVOYGWHYDAMMZ-MSOLQXFVSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001714510177 1419237484 /nfs/dbraw/zinc/23/74/84/1419237484.db2.gz UGNOQHIFPUAXKV-MSOLQXFVSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001714810808 1419521892 /nfs/dbraw/zinc/52/18/92/1419521892.db2.gz PDZHYZSNOICVHJ-GOSISDBHSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC001714976450 1419711111 /nfs/dbraw/zinc/71/11/11/1419711111.db2.gz NJWPRQHJYLDHNN-RTBURBONSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001715460673 1420140502 /nfs/dbraw/zinc/14/05/02/1420140502.db2.gz UKOPFLICXHRNMM-FQEVSTJZSA-N 2 0 343.515 3.299 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001716063629 1420523167 /nfs/dbraw/zinc/52/31/67/1420523167.db2.gz PLKYRUWGTWEQHJ-FUHWJXTLSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCCC1 ZINC001716713845 1420867567 /nfs/dbraw/zinc/86/75/67/1420867567.db2.gz ZGRJVQNLSSYBRD-IBGZPJMESA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001716771052 1420915045 /nfs/dbraw/zinc/91/50/45/1420915045.db2.gz QSDOKSINIRXSLO-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001716983931 1421061181 /nfs/dbraw/zinc/06/11/81/1421061181.db2.gz ZSNAIBGWANWRIZ-RDJZCZTQSA-N 2 0 349.544 3.074 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001717128020 1421129338 /nfs/dbraw/zinc/12/93/38/1421129338.db2.gz LQTHDADXLPTJFI-OALUTQOASA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001717202356 1421170513 /nfs/dbraw/zinc/17/05/13/1421170513.db2.gz RBFMKZXHZDZYHK-PMACEKPBSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001717358720 1421293929 /nfs/dbraw/zinc/29/39/29/1421293929.db2.gz CXCMGOFRRLDFAX-IBGZPJMESA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001733384912 1429572056 /nfs/dbraw/zinc/57/20/56/1429572056.db2.gz DFXVKNNNCHBVND-IEBWSBKVSA-N 2 0 335.536 3.092 10 30 EGEERP CCCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001733441260 1429649052 /nfs/dbraw/zinc/64/90/52/1429649052.db2.gz DLOGTOJPAOERRZ-RTWAWAEBSA-N 2 0 349.563 3.271 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001723726269 1424550970 /nfs/dbraw/zinc/55/09/70/1424550970.db2.gz FVFLTFSIWHUBDF-FPOVZHCZSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001724126994 1424678435 /nfs/dbraw/zinc/67/84/35/1424678435.db2.gz ZXEMKAQTGGFUQV-TZIWHRDSSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001725025176 1425442265 /nfs/dbraw/zinc/44/22/65/1425442265.db2.gz CLKYOFLSDZTSHW-HXUWFJFHSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001725210061 1425769714 /nfs/dbraw/zinc/76/97/14/1425769714.db2.gz DHCHSLLFQDUJDM-WOJBJXKFSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001725269193 1425904235 /nfs/dbraw/zinc/90/42/35/1425904235.db2.gz VNIOOWYJYCNVMK-IAGOWNOFSA-N 2 0 343.515 3.153 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001725422757 1426075504 /nfs/dbraw/zinc/07/55/04/1426075504.db2.gz AABXTSJJMCVYGI-KRWDZBQOSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC001725676063 1426362541 /nfs/dbraw/zinc/36/25/41/1426362541.db2.gz NSRMLJBFYKPENC-GBESFXJTSA-N 2 0 349.563 3.290 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001731353232 1427292568 /nfs/dbraw/zinc/29/25/68/1427292568.db2.gz BFXRHYMZEPNAOG-OALUTQOASA-N 2 0 337.552 3.410 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001731835578 1428051456 /nfs/dbraw/zinc/05/14/56/1428051456.db2.gz SDYBBVVXKXNJDZ-YLJYHZDGSA-N 2 0 343.515 3.297 10 30 EGEERP C=C(C)CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001731877180 1428142589 /nfs/dbraw/zinc/14/25/89/1428142589.db2.gz PQMGWVUEWVEXEC-GOSISDBHSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001733607621 1429824635 /nfs/dbraw/zinc/82/46/35/1429824635.db2.gz TZOSJGUDXAWCTO-PMACEKPBSA-N 2 0 347.547 3.282 10 30 EGEERP C=C(C)CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001733907579 1437725956 /nfs/dbraw/zinc/72/59/56/1437725956.db2.gz ROZZMOMGXOIFPA-FQEVSTJZSA-N 2 0 343.515 3.008 10 30 EGEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCCC1 ZINC001734087488 1437872893 /nfs/dbraw/zinc/87/28/93/1437872893.db2.gz IIVRFBWTCFFKQQ-ZWKOTPCHSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001734128881 1437906678 /nfs/dbraw/zinc/90/66/78/1437906678.db2.gz BAJPYLZKVRKFGO-SJORKVTESA-N 2 0 343.515 3.153 10 30 EGEERP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@H]12 ZINC001734441393 1438103767 /nfs/dbraw/zinc/10/37/67/1438103767.db2.gz SMPHSMKLDLQTEL-SVFBPWRDSA-N 2 0 347.547 3.188 10 30 EGEERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600718369 460577643 /nfs/dbraw/zinc/57/76/43/460577643.db2.gz WXXNPROLOCZVCQ-XLIONFOSSA-N 2 0 341.499 3.205 10 30 EGEERP CCC(=[NH2+])Nc1ccc2c(c1)C(=O)c1ccc(NC(=[NH2+])CC)cc1C2=O ZINC000169324873 454929992 /nfs/dbraw/zinc/92/99/92/454929992.db2.gz PDIWCEOTJFVMPT-UHFFFAOYSA-N 2 0 348.406 3.259 10 30 EGEERP CC(C)(CCC#N)C[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000236817609 456187038 /nfs/dbraw/zinc/18/70/38/456187038.db2.gz MRPAQNOCVDDGGW-FQEVSTJZSA-N 2 0 343.515 3.352 10 30 EGEERP C=CCc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc(OC)c1O ZINC000415054049 458327521 /nfs/dbraw/zinc/32/75/21/458327521.db2.gz PLMVPHRCCMBXJH-ROUUACIJSA-N 2 0 330.472 3.093 10 30 EGEERP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc2c1CC[NH2+]C2 ZINC000595884106 459474210 /nfs/dbraw/zinc/47/42/10/459474210.db2.gz DPHZQICDGYRCCS-UHFFFAOYSA-N 2 0 337.423 3.429 10 30 EGEERP C[N@@H+]1CC[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1(C)C ZINC000598973516 460111004 /nfs/dbraw/zinc/11/10/04/460111004.db2.gz KXSVNPRSHKEVQS-LXPRWKDFSA-N 2 0 342.487 3.106 10 30 EGEERP C=CCC[C@@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)c1ccco1 ZINC000873243848 1297384870 /nfs/dbraw/zinc/38/48/70/1297384870.db2.gz NPHJEWUMRISECP-GOSISDBHSA-N 2 0 337.427 3.116 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000876719588 1298936428 /nfs/dbraw/zinc/93/64/28/1298936428.db2.gz PBTYYLDAGYQWEY-GOSISDBHSA-N 2 0 349.906 3.005 10 30 EGEERP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCCSCC#N)C2 ZINC000880021125 1300868157 /nfs/dbraw/zinc/86/81/57/1300868157.db2.gz YRURKTBWCVDDOM-RBUKOAKNSA-N 2 0 329.513 3.087 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001323958009 1387500629 /nfs/dbraw/zinc/50/06/29/1387500629.db2.gz LTHXQOBNFWAFOQ-KRWDZBQOSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001324557345 1387673730 /nfs/dbraw/zinc/67/37/30/1387673730.db2.gz PMNHCFVRBNVPFD-OAQYLSRUSA-N 2 0 347.547 3.143 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001326490692 1388214869 /nfs/dbraw/zinc/21/48/69/1388214869.db2.gz SQAWOGMWKNJANC-MJGOQNOKSA-N 2 0 343.515 3.261 10 30 EGEERP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001267054767 1377409362 /nfs/dbraw/zinc/40/93/62/1377409362.db2.gz BZAXZFVDNWRFOI-OTWHNJEPSA-N 2 0 337.552 3.125 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001268045128 1377483671 /nfs/dbraw/zinc/48/36/71/1377483671.db2.gz RPWMNUGOPVZPDF-RBUKOAKNSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)cc2C1 ZINC001281305000 1378414531 /nfs/dbraw/zinc/41/45/31/1378414531.db2.gz OVTCQHVKCRMPJP-IAGOWNOFSA-N 2 0 341.499 3.067 10 30 EGEERP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001327529435 1388550230 /nfs/dbraw/zinc/55/02/30/1388550230.db2.gz HYBATIOHVHSHJH-NRFANRHFSA-N 2 0 349.563 3.245 10 30 EGEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001283309932 1378796821 /nfs/dbraw/zinc/79/68/21/1378796821.db2.gz BXHWFCKAIKKJNK-FQEVSTJZSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001283906503 1379252916 /nfs/dbraw/zinc/25/29/16/1379252916.db2.gz PAFCALWUDMJDFD-PKOBYXMFSA-N 2 0 335.536 3.186 10 30 EGEERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001307453144 1383992615 /nfs/dbraw/zinc/99/26/15/1383992615.db2.gz UCDDLVNCYLKYFM-UHFFFAOYSA-N 2 0 334.467 3.297 10 30 EGEERP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001316671644 1384514293 /nfs/dbraw/zinc/51/42/93/1384514293.db2.gz UZXXWEQUIPNVHX-MOPGFXCFSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001316774005 1384572276 /nfs/dbraw/zinc/57/22/76/1384572276.db2.gz SCWFZFQKFQYZCH-UXHICEINSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317044544 1384818274 /nfs/dbraw/zinc/81/82/74/1384818274.db2.gz MHRCGNFXTWLSHE-HXUWFJFHSA-N 2 0 349.563 3.389 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317139680 1384905747 /nfs/dbraw/zinc/90/57/47/1384905747.db2.gz KKVKFBXEXJHGCA-QZTJIDSGSA-N 2 0 337.552 3.147 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001317791145 1385484131 /nfs/dbraw/zinc/48/41/31/1385484131.db2.gz ZRPDWMDAKRQXFZ-RBUKOAKNSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001319486277 1386142181 /nfs/dbraw/zinc/14/21/81/1386142181.db2.gz MRYSYKZLZNCYQV-GJZGRUSLSA-N 2 0 328.460 3.048 10 30 EGEERP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001319884704 1386360341 /nfs/dbraw/zinc/36/03/41/1386360341.db2.gz FPTBLRBTWVAEAL-UHFFFAOYSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001322231659 1387112586 /nfs/dbraw/zinc/11/25/86/1387112586.db2.gz UHITXLBILACEBN-PKOBYXMFSA-N 2 0 335.536 3.186 10 30 EGEERP C=CC[C@@]1(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CCC[NH2+]1 ZINC001337086704 1389250830 /nfs/dbraw/zinc/25/08/30/1389250830.db2.gz HTTYGHXKPXGNLR-FQEVSTJZSA-N 2 0 327.472 3.309 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001330644926 1389481568 /nfs/dbraw/zinc/48/15/68/1389481568.db2.gz VTIWDSCAHAJLTK-BJLQDIEVSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001332398236 1390105701 /nfs/dbraw/zinc/10/57/01/1390105701.db2.gz LMMMGNRHIMITFP-SFHVURJKSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc(OC)c1O ZINC001333840553 1390419666 /nfs/dbraw/zinc/41/96/66/1390419666.db2.gz HJQAPPSFZVVDCN-FHWLQOOXSA-N 2 0 344.499 3.291 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001488741664 1391713308 /nfs/dbraw/zinc/71/33/08/1391713308.db2.gz OYSPZGVCSZFUCZ-PNYFIKQUSA-N 2 0 347.547 3.233 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001479578813 1392280063 /nfs/dbraw/zinc/28/00/63/1392280063.db2.gz AGBSOKSGWUOQIR-AQNXPRMDSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001480079812 1392569158 /nfs/dbraw/zinc/56/91/58/1392569158.db2.gz PMIYVFORRHKTNG-VQTJNVASSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480363835 1392707745 /nfs/dbraw/zinc/70/77/45/1392707745.db2.gz ZWYOCJCIWPJTRD-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001480734153 1392898886 /nfs/dbraw/zinc/89/88/86/1392898886.db2.gz ZSLQCZTZSOEVPY-UXHICEINSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001481335412 1393166248 /nfs/dbraw/zinc/16/62/48/1393166248.db2.gz CANARIDDKAFQKW-ZWKOTPCHSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001481342118 1393168461 /nfs/dbraw/zinc/16/84/61/1393168461.db2.gz CWXPFSAZMYQJLM-UYAOXDASSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001490611339 1394281667 /nfs/dbraw/zinc/28/16/67/1394281667.db2.gz RSNUOPHRLUTJKX-RTBURBONSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001491214902 1394475020 /nfs/dbraw/zinc/47/50/20/1394475020.db2.gz UGBPGYQVENKTCO-GOSISDBHSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001491270864 1394498929 /nfs/dbraw/zinc/49/89/29/1394498929.db2.gz IUWJIJOUHBGPSE-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+]1CCC2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001483838056 1395104902 /nfs/dbraw/zinc/10/49/02/1395104902.db2.gz WJCNFAOSRVOCOL-UHFFFAOYSA-N 2 0 347.547 3.143 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001484021978 1395194185 /nfs/dbraw/zinc/19/41/85/1395194185.db2.gz GVLZNFWMXZKSAT-TZIWHRDSSA-N 2 0 349.563 3.386 10 30 EGEERP C#CCC[NH2+]C1(CC)CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001484814873 1395548795 /nfs/dbraw/zinc/54/87/95/1395548795.db2.gz UTFBONQGVMGGJC-UHFFFAOYSA-N 2 0 347.547 3.025 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC001485568965 1396031648 /nfs/dbraw/zinc/03/16/48/1396031648.db2.gz CSSCAOVZUHEMRS-ROUUACIJSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC001496320528 1396649194 /nfs/dbraw/zinc/64/91/94/1396649194.db2.gz NJWPRQHJYLDHNN-OALUTQOASA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001690192554 1404397564 /nfs/dbraw/zinc/39/75/64/1404397564.db2.gz PKKFSGHAEODCAM-IBGZPJMESA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001690192557 1404399483 /nfs/dbraw/zinc/39/94/83/1404399483.db2.gz PKKFSGHAEODCAM-LJQANCHMSA-N 2 0 349.563 3.245 10 30 EGEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001690193483 1404400220 /nfs/dbraw/zinc/40/02/20/1404400220.db2.gz ZVMAVELBLOZUNN-QUCCMNQESA-N 2 0 347.547 3.140 10 30 EGEERP CCCCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001690405735 1404542155 /nfs/dbraw/zinc/54/21/55/1404542155.db2.gz OTRVBBCEVZCIRY-AZUAARDMSA-N 2 0 349.563 3.127 10 30 EGEERP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001690450444 1404575030 /nfs/dbraw/zinc/57/50/30/1404575030.db2.gz JQASJQFPWMLFIB-IBGZPJMESA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001725783769 1426469082 /nfs/dbraw/zinc/46/90/82/1426469082.db2.gz YFFMTNVPYPHJCP-LYBXBRPPSA-N 2 0 347.547 3.329 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001691372698 1405217270 /nfs/dbraw/zinc/21/72/70/1405217270.db2.gz PFPZZJMOCDZGQU-AQNXPRMDSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001691628735 1405365740 /nfs/dbraw/zinc/36/57/40/1405365740.db2.gz BHUYKKWLOPLXOM-VQTJNVASSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001691681578 1405416994 /nfs/dbraw/zinc/41/69/94/1405416994.db2.gz BAKVPWQSPPDXTR-QUCCMNQESA-N 2 0 349.563 3.432 10 30 EGEERP 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 1405649458 /nfs/dbraw/zinc/64/94/58/1405649458.db2.gz USYLCMQMPBNUDO-MISYRCLQSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001692004785 1405721883 /nfs/dbraw/zinc/72/18/83/1405721883.db2.gz LSDOCCWBXJWWQQ-ROUUACIJSA-N 2 0 337.552 3.147 10 30 EGEERP CCCCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001692101862 1405772194 /nfs/dbraw/zinc/77/21/94/1405772194.db2.gz RKRBTBSLOAGURJ-QYZOEREBSA-N 2 0 337.552 3.125 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001692121035 1405783298 /nfs/dbraw/zinc/78/32/98/1405783298.db2.gz MPOZYALWWIWZRY-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001692132054 1405789421 /nfs/dbraw/zinc/78/94/21/1405789421.db2.gz OUIGLVDWSWCRLA-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001731998382 1428207678 /nfs/dbraw/zinc/20/76/78/1428207678.db2.gz BLOKCWZZKIPLFK-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001732272847 1428508348 /nfs/dbraw/zinc/50/83/48/1428508348.db2.gz GDAZLHRCIPICBK-GOSISDBHSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001732288529 1428515352 /nfs/dbraw/zinc/51/53/52/1428515352.db2.gz NIDVRHNKFUZPBE-LJQANCHMSA-N 2 0 335.536 3.047 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001732302457 1428519955 /nfs/dbraw/zinc/51/99/55/1428519955.db2.gz YTPMIAACCRUZTO-PMACEKPBSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001699067224 1412493696 /nfs/dbraw/zinc/49/36/96/1412493696.db2.gz UAICJVSVVIDAIU-WOJBJXKFSA-N 2 0 343.515 3.203 10 30 EGEERP C=CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCCCC1 ZINC001699682916 1413077012 /nfs/dbraw/zinc/07/70/12/1413077012.db2.gz BUFLOMKUCIEFJM-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001699861598 1413296452 /nfs/dbraw/zinc/29/64/52/1413296452.db2.gz LZWUHGHWVGMATO-OALUTQOASA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001699874397 1413327775 /nfs/dbraw/zinc/32/77/75/1413327775.db2.gz OQVQOUYNCHVUCR-TZIWHRDSSA-N 2 0 349.563 3.293 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CC)CC2)CC1 ZINC001700333082 1413813633 /nfs/dbraw/zinc/81/36/33/1413813633.db2.gz GOEYWRBEJYHMNN-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP CCCCCCC[N@H+](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001700695390 1414350718 /nfs/dbraw/zinc/35/07/18/1414350718.db2.gz GTOVAZKZVIGZLD-UHFFFAOYSA-N 2 0 337.552 3.221 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001700919402 1414571240 /nfs/dbraw/zinc/57/12/40/1414571240.db2.gz WQNUHYJMJJMGSW-RBUKOAKNSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC001701032447 1414696275 /nfs/dbraw/zinc/69/62/75/1414696275.db2.gz YTMDLJGXLZRDCU-QGZVFWFLSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001707238603 1417258986 /nfs/dbraw/zinc/25/89/86/1417258986.db2.gz SYRIVNDZLOBHCM-MSOLQXFVSA-N 2 0 335.536 3.186 10 30 EGEERP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001713096693 1417646270 /nfs/dbraw/zinc/64/62/70/1417646270.db2.gz DOFFHKDOUIMAHU-OALUTQOASA-N 2 0 349.563 3.269 10 30 EGEERP C=C(C)CC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)C2CCC2)CCCC[C@@H]1C ZINC001714182929 1418990845 /nfs/dbraw/zinc/99/08/45/1418990845.db2.gz CLFBXVBQPPTWNO-PXNSSMCTSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001714231713 1419024112 /nfs/dbraw/zinc/02/41/12/1419024112.db2.gz IBYDDNDYSLVNRV-GOSISDBHSA-N 2 0 343.515 3.156 10 30 EGEERP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001715392108 1420089555 /nfs/dbraw/zinc/08/95/55/1420089555.db2.gz QFQGTWJKHQUJMX-BEFAXECRSA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001715393424 1420090826 /nfs/dbraw/zinc/09/08/26/1420090826.db2.gz ZUHVOAXPLMAYCU-IEBWSBKVSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001715460025 1420140552 /nfs/dbraw/zinc/14/05/52/1420140552.db2.gz OHDOTYVCXRLNHA-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001716513501 1420743740 /nfs/dbraw/zinc/74/37/40/1420743740.db2.gz CQFKTVDJLHRZLC-SJLPKXTDSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001716519084 1420748334 /nfs/dbraw/zinc/74/83/34/1420748334.db2.gz BDKHWDCIXHJDDQ-OALUTQOASA-N 2 0 335.536 3.093 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001716780034 1420918798 /nfs/dbraw/zinc/91/87/98/1420918798.db2.gz MIQFIYVXAKCXBA-WBVHZDCISA-N 2 0 340.471 3.192 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001716830830 1420958116 /nfs/dbraw/zinc/95/81/16/1420958116.db2.gz XVAKWENNYFIUHT-FPOVZHCZSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001716871854 1420999399 /nfs/dbraw/zinc/99/93/99/1420999399.db2.gz WZGHYJKQISOVHA-CTNGQTDRSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001716895884 1421023443 /nfs/dbraw/zinc/02/34/43/1421023443.db2.gz NKCYIFYXGOVMJH-ICSRJNTNSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001716999993 1421070515 /nfs/dbraw/zinc/07/05/15/1421070515.db2.gz YZSONKZZRAACDE-ACDBMABISA-N 2 0 347.547 3.044 10 30 EGEERP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001717003313 1421072808 /nfs/dbraw/zinc/07/28/08/1421072808.db2.gz UZFVDWJQIWZAER-WGSAOQKQSA-N 2 0 349.563 3.195 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001717215947 1421194052 /nfs/dbraw/zinc/19/40/52/1421194052.db2.gz BFAVTZIWHOPEJL-PMACEKPBSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001717242070 1421210873 /nfs/dbraw/zinc/21/08/73/1421210873.db2.gz KRMKFOMRZQLRGH-LJQANCHMSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC001717312226 1421257365 /nfs/dbraw/zinc/25/73/65/1421257365.db2.gz RFYNVSQUTQPSIP-LJQANCHMSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001717375749 1421317900 /nfs/dbraw/zinc/31/79/00/1421317900.db2.gz BVESOIVOKCOEPL-QGZVFWFLSA-N 2 0 347.503 3.234 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001717584795 1421511440 /nfs/dbraw/zinc/51/14/40/1421511440.db2.gz CUFBPURMZMCRGW-QZTJIDSGSA-N 2 0 337.552 3.125 10 30 EGEERP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001717627392 1421536598 /nfs/dbraw/zinc/53/65/98/1421536598.db2.gz PXMVHFRLUZJNHA-UFYCRDLUSA-N 2 0 347.547 3.045 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001717800757 1421629434 /nfs/dbraw/zinc/62/94/34/1421629434.db2.gz HJWJFQUNMHZQAI-RTBURBONSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001723726267 1424550499 /nfs/dbraw/zinc/55/04/99/1424550499.db2.gz FVFLTFSIWHUBDF-CTNGQTDRSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001724021398 1424631064 /nfs/dbraw/zinc/63/10/64/1424631064.db2.gz AVQDIMPINQRGSN-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001724322434 1424807651 /nfs/dbraw/zinc/80/76/51/1424807651.db2.gz DGCUYHCYPHKUJJ-HXUWFJFHSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001724601159 1424931904 /nfs/dbraw/zinc/93/19/04/1424931904.db2.gz FWXQZQBCRIVHLB-HAGHYFMRSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001733567763 1429770169 /nfs/dbraw/zinc/77/01/69/1429770169.db2.gz UDPNJTXOMRAEBY-UFYCRDLUSA-N 2 0 349.563 3.197 10 30 EGEERP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001724972862 1425373211 /nfs/dbraw/zinc/37/32/11/1425373211.db2.gz VITOQCBNYRFQHW-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCCCC[N@@H+](C)C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001725428234 1426093192 /nfs/dbraw/zinc/09/31/92/1426093192.db2.gz ZNJPAUNLOBBNCH-NRFANRHFSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001731350962 1427289289 /nfs/dbraw/zinc/28/92/89/1427289289.db2.gz PZRBHUWJEWJTHG-HKUYNNGSSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001731517593 1427505334 /nfs/dbraw/zinc/50/53/34/1427505334.db2.gz DBEZMSKUSBHRJA-ICSRJNTNSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731517517 1427505729 /nfs/dbraw/zinc/50/57/29/1427505729.db2.gz USRRZVFLNKGRNG-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001731715595 1427778757 /nfs/dbraw/zinc/77/87/57/1427778757.db2.gz QMXIZBOXXVOPJR-RTBURBONSA-N 2 0 347.547 3.140 10 30 EGEERP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC001733681375 1429889818 /nfs/dbraw/zinc/88/98/18/1429889818.db2.gz DBDYPGIPDOWREX-QGZVFWFLSA-N 2 0 341.499 3.015 10 30 EGEERP 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 1429903744 /nfs/dbraw/zinc/90/37/44/1429903744.db2.gz XXZGTGMUWVQWAT-VYJAJWGXSA-N 2 0 349.563 3.336 10 30 EGEERP CCCCCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001733800190 1430066789 /nfs/dbraw/zinc/06/67/89/1430066789.db2.gz BFILNHHIIHBBTI-SFHVURJKSA-N 2 0 337.552 3.412 10 30 EGEERP C=C(C)C[NH+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[N@H+]3C)cc2C1 ZINC001733835280 1430107097 /nfs/dbraw/zinc/10/70/97/1430107097.db2.gz BROIZIYCSWNTSY-FQEVSTJZSA-N 2 0 341.499 3.069 10 30 EGEERP C=CCCC[N@H+]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001734151280 1437919068 /nfs/dbraw/zinc/91/90/68/1437919068.db2.gz ZOVPDOMUGGMKOU-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001734269602 1437993913 /nfs/dbraw/zinc/99/39/13/1437993913.db2.gz XLDQFSBZJWVEDX-MJGOQNOKSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001734289333 1438019639 /nfs/dbraw/zinc/01/96/39/1438019639.db2.gz HYGRKDJISOLOET-SJORKVTESA-N 2 0 343.943 3.122 10 30 EGEERP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001734440911 1438103277 /nfs/dbraw/zinc/10/32/77/1438103277.db2.gz NNJDZKJVJTVYNF-XLIONFOSSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001750928323 1440112219 /nfs/dbraw/zinc/11/22/19/1440112219.db2.gz FVBKKNWAGDYELI-MOPGFXCFSA-N 2 0 337.552 3.221 10 30 EGEERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000423016357 267834815 /nfs/dbraw/zinc/83/48/15/267834815.db2.gz MKWWFLXOYNBVNY-ONGXBYRLSA-N 2 0 335.451 3.067 10 30 EGEERP C[N@H+](CCCCC#N)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105862958 454661439 /nfs/dbraw/zinc/66/14/39/454661439.db2.gz PJKRLSVLGWOORA-HXUWFJFHSA-N 2 0 329.488 3.058 10 30 EGEERP C=CCN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000180127351 455136493 /nfs/dbraw/zinc/13/64/93/455136493.db2.gz XVDAYIIHKUMJFT-FRIKZZABSA-N 2 0 339.527 3.422 10 30 EGEERP CSC[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](CSC)C2)C1 ZINC000429308382 458314518 /nfs/dbraw/zinc/31/45/18/458314518.db2.gz QBZTZEBTRAYMAK-QZTJIDSGSA-N 2 0 340.602 3.140 10 30 EGEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000424291552 458605709 /nfs/dbraw/zinc/60/57/09/458605709.db2.gz DPYRRCUKBLQHAF-POHUPDAJSA-N 2 0 340.511 3.468 10 30 EGEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000424294268 458606791 /nfs/dbraw/zinc/60/67/91/458606791.db2.gz KDQMJKTVBLAWEJ-WHZJULEDSA-N 2 0 326.484 3.363 10 30 EGEERP C[C@@H]1CCC[C@H](C)N1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000518783956 458893469 /nfs/dbraw/zinc/89/34/69/458893469.db2.gz IMRQWTMJLXNDRS-HDICACEKSA-N 2 0 340.515 3.380 10 30 EGEERP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000594924488 459178591 /nfs/dbraw/zinc/17/85/91/459178591.db2.gz ZJUQBDNTUHIDOZ-HDICACEKSA-N 2 0 341.499 3.221 10 30 EGEERP N#Cc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000595895821 459479526 /nfs/dbraw/zinc/47/95/26/459479526.db2.gz WGBQRMVFBQBUGH-OAHLLOKOSA-N 2 0 337.389 3.399 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000876719692 1298935763 /nfs/dbraw/zinc/93/57/63/1298935763.db2.gz SMTMVYVOFIZMJV-CXAGYDPISA-N 2 0 335.879 3.327 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000876719775 1298936284 /nfs/dbraw/zinc/93/62/84/1298936284.db2.gz VEFWXJMDKNBHOF-MAUKXSAKSA-N 2 0 349.906 3.147 10 30 EGEERP C=CCOc1cccc(C[N@H+](CCOC)CC2CC[NH+](C)CC2)c1 ZINC000877665480 1299466371 /nfs/dbraw/zinc/46/63/71/1299466371.db2.gz WZBORKORRQMUHW-UHFFFAOYSA-N 2 0 332.488 3.042 10 30 EGEERP C#CCC1(O)CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000880482768 1301138964 /nfs/dbraw/zinc/13/89/64/1301138964.db2.gz QPMFUSAEERRYDF-UHFFFAOYSA-N 2 0 326.484 3.023 10 30 EGEERP C=CCC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000883186351 1302292749 /nfs/dbraw/zinc/29/27/49/1302292749.db2.gz QDIUVDDEQFEJDO-PZJWPPBQSA-N 2 0 329.532 3.037 10 30 EGEERP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1 ZINC000895556904 1309400565 /nfs/dbraw/zinc/40/05/65/1309400565.db2.gz MOYAHPKSQLEPRT-IAGOWNOFSA-N 2 0 336.439 3.083 10 30 EGEERP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000929764726 1328692629 /nfs/dbraw/zinc/69/26/29/1328692629.db2.gz ZFVCNOSXDJQDAU-UHFFFAOYSA-N 2 0 341.499 3.252 10 30 EGEERP CC[C@H](C#N)Oc1cc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)ccc1OC ZINC000858136862 1328692776 /nfs/dbraw/zinc/69/27/76/1328692776.db2.gz WPKDBCCVXCTOKS-DLBZAZTESA-N 2 0 345.487 3.339 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801298 1331198561 /nfs/dbraw/zinc/19/85/61/1331198561.db2.gz RUMNZCNNYNGZIJ-RBUKOAKNSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941075416 1331320846 /nfs/dbraw/zinc/32/08/46/1331320846.db2.gz KUWVUGBCTCTSDT-RBUKOAKNSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076271 1331322550 /nfs/dbraw/zinc/32/25/50/1331322550.db2.gz VCGCCUWWUACIOB-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CCCCCC1 ZINC001323723331 1387433437 /nfs/dbraw/zinc/43/34/37/1387433437.db2.gz XUQYCYJRVYIHRN-UHFFFAOYSA-N 2 0 347.547 3.189 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001324661888 1387722360 /nfs/dbraw/zinc/72/23/60/1387722360.db2.gz QNGDAJPXRIMDGB-PXNSSMCTSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001324661889 1387722406 /nfs/dbraw/zinc/72/24/06/1387722406.db2.gz QNGDAJPXRIMDGB-XLIONFOSSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001324891852 1387807659 /nfs/dbraw/zinc/80/76/59/1387807659.db2.gz FBJPZGTUZKBTEW-IAGOWNOFSA-N 2 0 346.519 3.161 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001327149299 1388406585 /nfs/dbraw/zinc/40/65/85/1388406585.db2.gz XXGIQIYDVODSTO-ROUUACIJSA-N 2 0 337.552 3.290 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001266328223 1377274926 /nfs/dbraw/zinc/27/49/26/1377274926.db2.gz WUYFTIWHLKJXNC-QGZVFWFLSA-N 2 0 340.471 3.193 10 30 EGEERP C=CC1(CC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)CCCCC1 ZINC001143145017 1378547419 /nfs/dbraw/zinc/54/74/19/1378547419.db2.gz DMCGASYHIRCOLL-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[N@@H+](C)CCN(C(=O)c1ccn2c(C)cnc2c1)C(C)C ZINC001284533792 1379939730 /nfs/dbraw/zinc/93/97/30/1379939730.db2.gz QXVPCNHCANDGKK-UHFFFAOYSA-N 2 0 342.487 3.391 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)C ZINC001328467367 1388754454 /nfs/dbraw/zinc/75/44/54/1388754454.db2.gz DSPCBAXJDZZXBC-PXNSSMCTSA-N 2 0 343.515 3.008 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001328509467 1388767674 /nfs/dbraw/zinc/76/76/74/1388767674.db2.gz JRMXUEWHWLXDCQ-OALUTQOASA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001328586452 1388782030 /nfs/dbraw/zinc/78/20/30/1388782030.db2.gz CECZSODXOSPCAY-SFHVURJKSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)COc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1OC ZINC001308552763 1384132696 /nfs/dbraw/zinc/13/26/96/1384132696.db2.gz GGTZBDUTPRTVQF-RCCFBDPRSA-N 2 0 330.472 3.080 10 30 EGEERP C#C[C@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC001308787901 1384149797 /nfs/dbraw/zinc/14/97/97/1384149797.db2.gz YYRDXCYCAPDWMA-GPJFCIFZSA-N 2 0 330.447 3.123 10 30 EGEERP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001316806241 1384598655 /nfs/dbraw/zinc/59/86/55/1384598655.db2.gz MOCFFQJVCIIPGW-IBGZPJMESA-N 2 0 335.536 3.142 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317041985 1384815328 /nfs/dbraw/zinc/81/53/28/1384815328.db2.gz XJYXEFNFYXOMED-IBGZPJMESA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001317169325 1384934314 /nfs/dbraw/zinc/93/43/14/1384934314.db2.gz ZFGVVDCVHYEVKL-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001317209937 1384989212 /nfs/dbraw/zinc/98/92/12/1384989212.db2.gz VONSYADEQGNREK-RTBURBONSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001317876604 1385556101 /nfs/dbraw/zinc/55/61/01/1385556101.db2.gz KMALHUASSOPUMO-UXHICEINSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001317954999 1385585548 /nfs/dbraw/zinc/58/55/48/1385585548.db2.gz AMOQGHJKTKZMGD-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001318540397 1385743824 /nfs/dbraw/zinc/74/38/24/1385743824.db2.gz JGXZTJDXQXKGFK-GOEBONIOSA-N 2 0 328.460 3.095 10 30 EGEERP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001331060508 1389615986 /nfs/dbraw/zinc/61/59/86/1389615986.db2.gz WLMDGGARUYIKMV-SFHVURJKSA-N 2 0 349.563 3.384 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC001332379736 1390101004 /nfs/dbraw/zinc/10/10/04/1390101004.db2.gz KZFYDCDTYILFBQ-QZTJIDSGSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001333004937 1390234865 /nfs/dbraw/zinc/23/48/65/1390234865.db2.gz PBFAQQUKUHPPKV-ICSRJNTNSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001333004935 1390235112 /nfs/dbraw/zinc/23/51/12/1390235112.db2.gz PBFAQQUKUHPPKV-AZUAARDMSA-N 2 0 349.563 3.432 10 30 EGEERP C#CCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001335583864 1390705873 /nfs/dbraw/zinc/70/58/73/1390705873.db2.gz SIECHJCGQQKCJN-XUVXKRRUSA-N 2 0 326.484 3.251 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001480204476 1392622224 /nfs/dbraw/zinc/62/22/24/1392622224.db2.gz KUJMRUKMZWSMOH-ZSYWTGECSA-N 2 0 347.547 3.233 10 30 EGEERP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001480330721 1392689743 /nfs/dbraw/zinc/68/97/43/1392689743.db2.gz JGZRSFPQTQCCOM-IBGZPJMESA-N 2 0 335.536 3.189 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001481126090 1393126607 /nfs/dbraw/zinc/12/66/07/1393126607.db2.gz HTYKWQZOPVCKHT-HKUYNNGSSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001481335210 1393165963 /nfs/dbraw/zinc/16/59/63/1393165963.db2.gz SASFKBWSXDIDSB-IEBWSBKVSA-N 2 0 335.536 3.044 10 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C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001491192160 1394465977 /nfs/dbraw/zinc/46/59/77/1394465977.db2.gz ZZXXOCSDEDRJTK-WOJBJXKFSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001698955514 1406702282 /nfs/dbraw/zinc/70/22/82/1406702282.db2.gz PFDKENDQQSNBBN-VQTJNVASSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001484158763 1395294368 /nfs/dbraw/zinc/29/43/68/1395294368.db2.gz IFYJJIVXWYWYAK-AZUAARDMSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001484163889 1395298254 /nfs/dbraw/zinc/29/82/54/1395298254.db2.gz PSEZIHWZGGGRDE-AZUAARDMSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001484171598 1395313289 /nfs/dbraw/zinc/31/32/89/1395313289.db2.gz OXTQTQFZXUWUKG-NRFANRHFSA-N 2 0 343.515 3.156 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001484471577 1395407157 /nfs/dbraw/zinc/40/71/57/1395407157.db2.gz AFVDFERXFHGLOO-HSALFYBXSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001499566755 1396184149 /nfs/dbraw/zinc/18/41/49/1396184149.db2.gz GSUFINUQKFLEMA-PZJWPPBQSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001499566753 1396184294 /nfs/dbraw/zinc/18/42/94/1396184294.db2.gz GSUFINUQKFLEMA-FPOVZHCZSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC001486235665 1396186287 /nfs/dbraw/zinc/18/62/87/1396186287.db2.gz DOGNAGVOMRKDJX-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001501170397 1396189216 /nfs/dbraw/zinc/18/92/16/1396189216.db2.gz UEILHJCGQWUGJL-YSTOQKLRSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCCC1 ZINC001495963834 1396580674 /nfs/dbraw/zinc/58/06/74/1396580674.db2.gz SGQCYSIQNUPILV-ZWKOTPCHSA-N 2 0 335.536 3.234 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CCC)CC2 ZINC001495974660 1396584412 /nfs/dbraw/zinc/58/44/12/1396584412.db2.gz YDGDDTUIXIQTMF-RBUKOAKNSA-N 2 0 347.547 3.140 10 30 EGEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001690193475 1404400628 /nfs/dbraw/zinc/40/06/28/1404400628.db2.gz ZVMAVELBLOZUNN-AZUAARDMSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001690719862 1404697074 /nfs/dbraw/zinc/69/70/74/1404697074.db2.gz WRZFCZRTAHELFY-NVXWUHKLSA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001690814200 1404748800 /nfs/dbraw/zinc/74/88/00/1404748800.db2.gz CAYCLIJRRIBSOA-PMACEKPBSA-N 2 0 347.547 3.282 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001725641145 1426319793 /nfs/dbraw/zinc/31/97/93/1426319793.db2.gz XWFKWZNGSPCEMD-ROUUACIJSA-N 2 0 337.552 3.410 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001691149152 1405082941 /nfs/dbraw/zinc/08/29/41/1405082941.db2.gz VONYZOBIPPMHNW-ROUUACIJSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001732004156 1428216361 /nfs/dbraw/zinc/21/63/61/1428216361.db2.gz NYUYIUSAPNRDII-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC(C)(C)C1 ZINC001691818551 1405533005 /nfs/dbraw/zinc/53/30/05/1405533005.db2.gz FJVKZRDQPYTJGR-MSOLQXFVSA-N 2 0 337.552 3.290 10 30 EGEERP CCCCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001692101861 1405772146 /nfs/dbraw/zinc/77/21/46/1405772146.db2.gz RKRBTBSLOAGURJ-QRVBRYPASA-N 2 0 337.552 3.125 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001692121096 1405783533 /nfs/dbraw/zinc/78/35/33/1405783533.db2.gz NMODUUOHDRULGB-OALUTQOASA-N 2 0 347.547 3.330 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001692138262 1405792862 /nfs/dbraw/zinc/79/28/62/1405792862.db2.gz HAIGZHMPRCAJBD-GBESFXJTSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001692161579 1405812781 /nfs/dbraw/zinc/81/27/81/1405812781.db2.gz QTXPAZIOLBAXCO-CEXWTWQISA-N 2 0 335.536 3.185 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001732049911 1428288918 /nfs/dbraw/zinc/28/89/18/1428288918.db2.gz BXUJMSCQAVMNCO-OALUTQOASA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001732273374 1428509029 /nfs/dbraw/zinc/50/90/29/1428509029.db2.gz TWGLHCWYQHQUAB-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001732313620 1428525498 /nfs/dbraw/zinc/52/54/98/1428525498.db2.gz GRKXPDPDMRAOPP-CADBVGFASA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001732531760 1428652630 /nfs/dbraw/zinc/65/26/30/1428652630.db2.gz ZUSAEMKWKLTZSK-ZWKOTPCHSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699479170 1412872621 /nfs/dbraw/zinc/87/26/21/1412872621.db2.gz CJGPQMZDFBRTBG-MOPGFXCFSA-N 2 0 349.563 3.339 10 30 EGEERP C=CCCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001699672846 1413063941 /nfs/dbraw/zinc/06/39/41/1413063941.db2.gz FTNGDIQFDUEDME-UYAOXDASSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001699681195 1413075751 /nfs/dbraw/zinc/07/57/51/1413075751.db2.gz LOJQZALPLJVOKO-MVCQKVDPSA-N 2 0 335.536 3.185 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC001699801659 1413212860 /nfs/dbraw/zinc/21/28/60/1413212860.db2.gz QIZAGVUBOHZUEF-FQEVSTJZSA-N 2 0 343.515 3.203 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001699858562 1413291197 /nfs/dbraw/zinc/29/11/97/1413291197.db2.gz LKNFPXVOSQEIAF-UYAOXDASSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001699861600 1413296331 /nfs/dbraw/zinc/29/63/31/1413296331.db2.gz LZWUHGHWVGMATO-RBUKOAKNSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001699870067 1413316564 /nfs/dbraw/zinc/31/65/64/1413316564.db2.gz WVEWVHXDUCQZLY-FPOVZHCZSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001700321387 1413787630 /nfs/dbraw/zinc/78/76/30/1413787630.db2.gz ZXLPXPZFVVGJAR-IEBWSBKVSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001700340792 1413821876 /nfs/dbraw/zinc/82/18/76/1413821876.db2.gz BUKCWFPRAWNNDJ-RBUKOAKNSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001700843494 1414493253 /nfs/dbraw/zinc/49/32/53/1414493253.db2.gz RWBBILBUAVJNFH-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001700989183 1414633024 /nfs/dbraw/zinc/63/30/24/1414633024.db2.gz XJPGYXRAQADOOC-MSOLQXFVSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001707121571 1417209628 /nfs/dbraw/zinc/20/96/28/1417209628.db2.gz HDDRSIHKNBYZJP-DFQSSKMNSA-N 2 0 343.515 3.130 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001707193467 1417239136 /nfs/dbraw/zinc/23/91/36/1417239136.db2.gz MOSLCXTWTNTUDE-HSALFYBXSA-N 2 0 349.563 3.268 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001707199447 1417241679 /nfs/dbraw/zinc/24/16/79/1417241679.db2.gz CKACEFRSVIFLEP-GBESFXJTSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001707240442 1417260708 /nfs/dbraw/zinc/26/07/08/1417260708.db2.gz UCVNNUXXBVWQQE-OALUTQOASA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001713052936 1417604986 /nfs/dbraw/zinc/60/49/86/1417604986.db2.gz MOEVWKOICHETSV-QZTJIDSGSA-N 2 0 335.536 3.138 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001713216246 1417792239 /nfs/dbraw/zinc/79/22/39/1417792239.db2.gz BPDBCCKWDGQZFG-RTBURBONSA-N 2 0 337.552 3.269 10 30 EGEERP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713398063 1418016997 /nfs/dbraw/zinc/01/69/97/1418016997.db2.gz PXHSYLLXVPRZHE-ICSRJNTNSA-N 2 0 349.563 3.384 10 30 EGEERP C=CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)C[N@@H+](C)CCC)C1 ZINC001713762635 1418574148 /nfs/dbraw/zinc/57/41/48/1418574148.db2.gz RTLDGRICOGTRQE-HXUWFJFHSA-N 2 0 343.515 3.007 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(N(CCC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001713858536 1418655388 /nfs/dbraw/zinc/65/53/88/1418655388.db2.gz RVOQMMXSLGPWGJ-SFHVURJKSA-N 2 0 349.563 3.386 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001713977383 1418758329 /nfs/dbraw/zinc/75/83/29/1418758329.db2.gz XFKVTLCABAEBSA-ROUUACIJSA-N 2 0 346.519 3.236 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001714081701 1418875885 /nfs/dbraw/zinc/87/58/85/1418875885.db2.gz WUZXRUQTVOCSLW-AZUAARDMSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001714199733 1419004320 /nfs/dbraw/zinc/00/43/20/1419004320.db2.gz DBZIPYRIVYJPBU-LMDPOFIKSA-N 2 0 335.536 3.234 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001714209617 1419009642 /nfs/dbraw/zinc/00/96/42/1419009642.db2.gz CLXLXRQABNMIGT-INIZCTEOSA-N 2 0 349.544 3.218 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001714327257 1419106536 /nfs/dbraw/zinc/10/65/36/1419106536.db2.gz QJUSTYVVXGHJPT-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1CC ZINC001733204314 1429310650 /nfs/dbraw/zinc/31/06/50/1429310650.db2.gz WVOCRIQAJVNAPL-MJGOQNOKSA-N 2 0 335.536 3.044 10 30 EGEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001714522008 1419248252 /nfs/dbraw/zinc/24/82/52/1419248252.db2.gz JFWPJKDTVOJFTQ-FQEVSTJZSA-N 2 0 347.547 3.025 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001714627200 1419398399 /nfs/dbraw/zinc/39/83/99/1419398399.db2.gz YYLCUMIOVVJNNY-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001715021265 1419752283 /nfs/dbraw/zinc/75/22/83/1419752283.db2.gz VGPWPWIPSMUQKH-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001715190358 1419922526 /nfs/dbraw/zinc/92/25/26/1419922526.db2.gz GYEZJLYXWPNFHH-GUDVDZBRSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001715485716 1420166572 /nfs/dbraw/zinc/16/65/72/1420166572.db2.gz YHIUYHIUKNUHCJ-UYAOXDASSA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001715545571 1420242680 /nfs/dbraw/zinc/24/26/80/1420242680.db2.gz QAWOCIPPNXHXKG-QUCCMNQESA-N 2 0 349.563 3.364 10 30 EGEERP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001716513502 1420743839 /nfs/dbraw/zinc/74/38/39/1420743839.db2.gz CQFKTVDJLHRZLC-WMZOPIPTSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001716709134 1420862694 /nfs/dbraw/zinc/86/26/94/1420862694.db2.gz IWAHAYHTPUHIDX-IHWFROFDSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCCCC1 ZINC001733277550 1429443954 /nfs/dbraw/zinc/44/39/54/1429443954.db2.gz HJVZHWRSUPZBLY-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C#CCC[NH+](CCNC(=O)CC[C@H]1CCC[N@H+]1C)C1CCCCCC1 ZINC001733277524 1429443737 /nfs/dbraw/zinc/44/37/37/1429443737.db2.gz GRDNERMKVYOPCY-LJQANCHMSA-N 2 0 347.547 3.025 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001716763188 1420909735 /nfs/dbraw/zinc/90/97/35/1420909735.db2.gz CQQZCIBPZMMRSH-QZTJIDSGSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001716830831 1420958126 /nfs/dbraw/zinc/95/81/26/1420958126.db2.gz XVAKWENNYFIUHT-PZJWPPBQSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001717037404 1421091550 /nfs/dbraw/zinc/09/15/50/1421091550.db2.gz KYTATCDIOBFUNL-IPMKNSEASA-N 2 0 335.536 3.138 10 30 EGEERP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001717114513 1421118569 /nfs/dbraw/zinc/11/85/69/1421118569.db2.gz CGIVVZQHNYMDBJ-KRWDZBQOSA-N 2 0 343.515 3.404 10 30 EGEERP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001717630647 1421539657 /nfs/dbraw/zinc/53/96/57/1421539657.db2.gz XUEPVADOYUQDFE-UHFFFAOYSA-N 2 0 347.547 3.143 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001733333170 1429518362 /nfs/dbraw/zinc/51/83/62/1429518362.db2.gz LUIQNZYMOSFLJT-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCC1 ZINC001733380279 1429564333 /nfs/dbraw/zinc/56/43/33/1429564333.db2.gz OEZSYGLEPABLBO-AZUAARDMSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001733458097 1429678845 /nfs/dbraw/zinc/67/88/45/1429678845.db2.gz CCOAVDWOJNFLKK-ICSRJNTNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001733458098 1429678610 /nfs/dbraw/zinc/67/86/10/1429678610.db2.gz CCOAVDWOJNFLKK-QUCCMNQESA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001724341110 1424834684 /nfs/dbraw/zinc/83/46/84/1424834684.db2.gz QOLQHVKDBIFVNW-PZJWPPBQSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001724538086 1424900767 /nfs/dbraw/zinc/90/07/67/1424900767.db2.gz WPFJBHRCIZHBTF-WBVHZDCISA-N 2 0 340.471 3.049 10 30 EGEERP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001724657685 1425024327 /nfs/dbraw/zinc/02/43/27/1425024327.db2.gz FIOVTDCLPKOKGW-HSALFYBXSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001724710345 1425065420 /nfs/dbraw/zinc/06/54/20/1425065420.db2.gz JGGICTKXHSASCG-KRWDZBQOSA-N 2 0 340.471 3.051 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001725048123 1425478695 /nfs/dbraw/zinc/47/86/95/1425478695.db2.gz OZSPFFVBKPEXFI-RTBURBONSA-N 2 0 335.536 3.140 10 30 EGEERP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@@H+](C)C3CCCCC3)C[C@H]2C1 ZINC001725335994 1425981947 /nfs/dbraw/zinc/98/19/47/1425981947.db2.gz LTSKKCKNMHIFDC-GBESFXJTSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001725649776 1426333095 /nfs/dbraw/zinc/33/30/95/1426333095.db2.gz BJZQFDIHDWXCOM-FXAWDEMLSA-N 2 0 343.515 3.203 10 30 EGEERP C=CCCC[N@H+]1CC=C(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001725827929 1426504766 /nfs/dbraw/zinc/50/47/66/1426504766.db2.gz AEXCXUGJWXUGOZ-UHFFFAOYSA-N 2 0 341.499 3.076 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001733689237 1429905610 /nfs/dbraw/zinc/90/56/10/1429905610.db2.gz LEBKQNJSVCULFN-VAMGGRTRSA-N 2 0 349.563 3.339 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001733783017 1430051085 /nfs/dbraw/zinc/05/10/85/1430051085.db2.gz UWNPFHIQSVNDES-VQTJNVASSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001734117230 1437899237 /nfs/dbraw/zinc/89/92/37/1437899237.db2.gz PXPMGOZQOIKWCI-IRXDYDNUSA-N 2 0 349.563 3.431 10 30 EGEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001734583283 1438174253 /nfs/dbraw/zinc/17/42/53/1438174253.db2.gz ULZOCODXNOJARG-MJGOQNOKSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000245805901 455382034 /nfs/dbraw/zinc/38/20/34/455382034.db2.gz YOJMRSUSTLMMKD-FUHWJXTLSA-N 2 0 332.488 3.422 10 30 EGEERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(C#N)s1 ZINC000135026774 454625496 /nfs/dbraw/zinc/62/54/96/454625496.db2.gz LQJDPAZRFVDNBV-INIZCTEOSA-N 2 0 346.544 3.221 10 30 EGEERP C=CCOc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093734907 454731764 /nfs/dbraw/zinc/73/17/64/454731764.db2.gz SQFGZMZUGXOGCK-UHFFFAOYSA-N 2 0 344.499 3.328 10 30 EGEERP C=CCc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc(OC)c1O ZINC000247299480 455585187 /nfs/dbraw/zinc/58/51/87/455585187.db2.gz ZOORBVLCWJIVIH-CRAIPNDOSA-N 2 0 341.455 3.409 10 30 EGEERP C=CCN1CCC([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449120760 458420955 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MRHMTOKBVLMKGW-QFIPXVFZSA-N 2 0 339.527 3.072 10 30 EGEERP C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000883188028 1302294950 /nfs/dbraw/zinc/29/49/50/1302294950.db2.gz BNOPKSDLTDTGST-NHCUHLMSSA-N 2 0 341.543 3.322 10 30 EGEERP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000929418864 1328592636 /nfs/dbraw/zinc/59/26/36/1328592636.db2.gz NWCJQKJCOPCREJ-UHFFFAOYSA-N 2 0 341.499 3.109 10 30 EGEERP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)c1 ZINC000865450490 1329699090 /nfs/dbraw/zinc/69/90/90/1329699090.db2.gz CFUZJUZGVRMLHR-UHFFFAOYSA-N 2 0 336.483 3.366 10 30 EGEERP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940786340 1331193360 /nfs/dbraw/zinc/19/33/60/1331193360.db2.gz VDCUQNJARBPENY-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940945262 1331266965 /nfs/dbraw/zinc/26/69/65/1331266965.db2.gz ZNOYTXDNTSLVNN-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001323871020 1387483667 /nfs/dbraw/zinc/48/36/67/1387483667.db2.gz ATNOAIDHJHBCPC-TZIWHRDSSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001324505130 1387654481 /nfs/dbraw/zinc/65/44/81/1387654481.db2.gz HDEHXWQRMWSIRL-UYAOXDASSA-N 2 0 349.563 3.482 10 30 EGEERP C=C[C@@H]1OCC[C@H]1[NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001194409554 1368255833 /nfs/dbraw/zinc/25/58/33/1368255833.db2.gz LDHYLDOHVCKLEW-RTWAWAEBSA-N 2 0 328.500 3.264 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001326521747 1388228324 /nfs/dbraw/zinc/22/83/24/1388228324.db2.gz PHHDQFHNNOFFBI-BJLQDIEVSA-N 2 0 347.547 3.234 10 30 EGEERP C=CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001327299855 1388490510 /nfs/dbraw/zinc/49/05/10/1388490510.db2.gz PSXFFDZFKMKWDG-MOPGFXCFSA-N 2 0 349.563 3.101 10 30 EGEERP 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1380117697 /nfs/dbraw/zinc/11/76/97/1380117697.db2.gz OXXPPRLQBFIBQD-MJGOQNOKSA-N 2 0 337.552 3.125 10 30 EGEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001328099731 1388671475 /nfs/dbraw/zinc/67/14/75/1388671475.db2.gz XVMOJRFMFYGYRR-RBUKOAKNSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001316774006 1384572362 /nfs/dbraw/zinc/57/23/62/1384572362.db2.gz SCWFZFQKFQYZCH-VQTJNVASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001317445883 1385146671 /nfs/dbraw/zinc/14/66/71/1385146671.db2.gz MKZSNKIYUCIGBR-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317527182 1385249760 /nfs/dbraw/zinc/24/97/60/1385249760.db2.gz ONZKTNLOFOVBFC-SFHVURJKSA-N 2 0 335.536 3.023 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001317682381 1385391797 /nfs/dbraw/zinc/39/17/97/1385391797.db2.gz BWZKFUVARHYBCD-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001317882563 1385560963 /nfs/dbraw/zinc/56/09/63/1385560963.db2.gz QTSXCXBGCDOUJO-IBGZPJMESA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001317883191 1385560990 /nfs/dbraw/zinc/56/09/90/1385560990.db2.gz XTMWOONSGFYTOT-PKOBYXMFSA-N 2 0 337.552 3.098 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001319709008 1386262331 /nfs/dbraw/zinc/26/23/31/1386262331.db2.gz NZNWTOXKJHTQOK-YLJYHZDGSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001698700287 1406343025 /nfs/dbraw/zinc/34/30/25/1406343025.db2.gz UCJPOBZSUKFFFH-FQEVSTJZSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001330666765 1389490005 /nfs/dbraw/zinc/49/00/05/1389490005.db2.gz KFWWRJQEXJEHGU-FCGDIQPGSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001333182378 1390263455 /nfs/dbraw/zinc/26/34/55/1390263455.db2.gz ZTLMLQLKPQOORU-YQVWRLOYSA-N 2 0 347.547 3.042 10 30 EGEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001698807345 1406490672 /nfs/dbraw/zinc/49/06/72/1406490672.db2.gz ZNWDNDKDVCPPLK-ROUUACIJSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001479643100 1392303361 /nfs/dbraw/zinc/30/33/61/1392303361.db2.gz PCTHPGPNCBDZPN-OTWHNJEPSA-N 2 0 335.536 3.185 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001480204474 1392622405 /nfs/dbraw/zinc/62/24/05/1392622405.db2.gz KUJMRUKMZWSMOH-HCXYKTFWSA-N 2 0 347.547 3.233 10 30 EGEERP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001480331450 1392690200 /nfs/dbraw/zinc/69/02/00/1392690200.db2.gz LZOIELMQHCXAQE-FQEVSTJZSA-N 2 0 343.515 3.299 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CCCCC1 ZINC001698878468 1406604895 /nfs/dbraw/zinc/60/48/95/1406604895.db2.gz BLYNOTAGYATIQC-GOSISDBHSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001481526284 1394377811 /nfs/dbraw/zinc/37/78/11/1394377811.db2.gz LBDLVLDHQOQTNN-LJQANCHMSA-N 2 0 347.547 3.189 10 30 EGEERP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001481999833 1394658975 /nfs/dbraw/zinc/65/89/75/1394658975.db2.gz XDRDAKNLFAXQMY-FQEVSTJZSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001484561252 1395445787 /nfs/dbraw/zinc/44/57/87/1395445787.db2.gz MCNAFLAUJXPULX-KRWDZBQOSA-N 2 0 343.515 3.404 10 30 EGEERP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001485435718 1395903247 /nfs/dbraw/zinc/90/32/47/1395903247.db2.gz ZBMWAGYRNBBTQK-ICSRJNTNSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001501170475 1396189346 /nfs/dbraw/zinc/18/93/46/1396189346.db2.gz WIDPWIBCKVOFTJ-FSGKZVOOSA-N 2 0 347.547 3.042 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001493129587 1396336757 /nfs/dbraw/zinc/33/67/57/1396336757.db2.gz SATQFKIHTZMKDD-FHWLQOOXSA-N 2 0 337.552 3.268 10 30 EGEERP C=C(Cl)C[NH2+][C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)C ZINC001496576520 1396716636 /nfs/dbraw/zinc/71/66/36/1396716636.db2.gz YUVMTOZEFVVMBE-MRXNPFEDSA-N 2 0 343.943 3.122 10 30 EGEERP C=CCC[NH+]1CCC(N(CCC)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001690135085 1404332148 /nfs/dbraw/zinc/33/21/48/1404332148.db2.gz AVTURLJVCCGIHF-SFHVURJKSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001690318857 1404477061 /nfs/dbraw/zinc/47/70/61/1404477061.db2.gz YXBXHZJNUXUHMS-VQTJNVASSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001691149150 1405083152 /nfs/dbraw/zinc/08/31/52/1405083152.db2.gz VONYZOBIPPMHNW-MSOLQXFVSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCCCCC[NH2+][C@H](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001691686490 1405421534 /nfs/dbraw/zinc/42/15/34/1405421534.db2.gz LBQGOIKRDXLLMV-GOSISDBHSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001691790182 1405499370 /nfs/dbraw/zinc/49/93/70/1405499370.db2.gz JXMJBKZIWHWPQN-UXHICEINSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001732004846 1428216652 /nfs/dbraw/zinc/21/66/52/1428216652.db2.gz ZQLKJSPLPVTTED-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001732004158 1428216406 /nfs/dbraw/zinc/21/64/06/1428216406.db2.gz NYUYIUSAPNRDII-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC(C)(C)C1 ZINC001691818555 1405533293 /nfs/dbraw/zinc/53/32/93/1405533293.db2.gz FMMDFBFRCKHDQP-GOSISDBHSA-N 2 0 349.563 3.434 10 30 EGEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001692254446 1405879807 /nfs/dbraw/zinc/87/98/07/1405879807.db2.gz FCEIBYXBPFDYHD-IBGZPJMESA-N 2 0 335.536 3.140 10 30 EGEERP CCCCCCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001732492657 1428615266 /nfs/dbraw/zinc/61/52/66/1428615266.db2.gz WXVMIOWRPNXPRU-MSOLQXFVSA-N 2 0 337.552 3.268 10 30 EGEERP C#CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCCCC1 ZINC001699682886 1413077260 /nfs/dbraw/zinc/07/72/60/1413077260.db2.gz BGAHMFUTWTZUKP-LJQANCHMSA-N 2 0 347.547 3.025 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001699755721 1413162707 /nfs/dbraw/zinc/16/27/07/1413162707.db2.gz TZHGKDUIEYYPPK-IBGZPJMESA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001699797792 1413207730 /nfs/dbraw/zinc/20/77/30/1413207730.db2.gz ZLUMHGKPVGNVCM-IEBWSBKVSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001699861602 1413296201 /nfs/dbraw/zinc/29/62/01/1413296201.db2.gz LZWUHGHWVGMATO-RTBURBONSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001699964421 1413405164 /nfs/dbraw/zinc/40/51/64/1413405164.db2.gz ALYHDMOYOABXHV-ZWKOTPCHSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C1CCC1)C2 ZINC001699975902 1413417588 /nfs/dbraw/zinc/41/75/88/1413417588.db2.gz KXOQBEBSRWIUNW-XEYPJELSSA-N 2 0 347.547 3.185 10 30 EGEERP 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 1413420027 /nfs/dbraw/zinc/42/00/27/1413420027.db2.gz FIFPIQBIYYBSGT-LTFPLMDUSA-N 2 0 347.547 3.185 10 30 EGEERP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001699981182 1413426980 /nfs/dbraw/zinc/42/69/80/1413426980.db2.gz DMHDTNJLKRATCB-WTGUMLROSA-N 2 0 349.563 3.195 10 30 EGEERP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)cc1 ZINC001700094398 1413508701 /nfs/dbraw/zinc/50/87/01/1413508701.db2.gz JMSKYHTZYZTWLN-XLIONFOSSA-N 2 0 343.515 3.261 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001700199157 1413640936 /nfs/dbraw/zinc/64/09/36/1413640936.db2.gz UHBFZMPZSNEKBA-UXHICEINSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001701005793 1414661241 /nfs/dbraw/zinc/66/12/41/1414661241.db2.gz NMJGLTCTLPZZAY-QWFCFKBJSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001733037036 1429162863 /nfs/dbraw/zinc/16/28/63/1429162863.db2.gz CGKASUWPJOXIST-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001713052937 1417605029 /nfs/dbraw/zinc/60/50/29/1417605029.db2.gz MOEVWKOICHETSV-ROUUACIJSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001713052935 1417605151 /nfs/dbraw/zinc/60/51/51/1417605151.db2.gz MOEVWKOICHETSV-MSOLQXFVSA-N 2 0 335.536 3.138 10 30 EGEERP CCCCCCC[NH+]1CCC(N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001713056786 1417610437 /nfs/dbraw/zinc/61/04/37/1417610437.db2.gz OUXIHQXDZUCNMN-NRFANRHFSA-N 2 0 349.563 3.366 10 30 EGEERP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001713098715 1417649415 /nfs/dbraw/zinc/64/94/15/1417649415.db2.gz UJGWWBXNLZNQNJ-GOSISDBHSA-N 2 0 335.536 3.023 10 30 EGEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001713698162 1418453479 /nfs/dbraw/zinc/45/34/79/1418453479.db2.gz MGYUQIOWQOZYRW-PMACEKPBSA-N 2 0 343.515 3.227 10 30 EGEERP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001713857230 1418653573 /nfs/dbraw/zinc/65/35/73/1418653573.db2.gz NFXQZEXUEKLEMU-IBGZPJMESA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714118472 1418922799 /nfs/dbraw/zinc/92/27/99/1418922799.db2.gz SHCNPKVJWPUVHR-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001714365419 1419125058 /nfs/dbraw/zinc/12/50/58/1419125058.db2.gz GKIYVCAFQYOWQF-SFHVURJKSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1CC ZINC001733204355 1429310254 /nfs/dbraw/zinc/31/02/54/1429310254.db2.gz XGVQFVXQIMCKDJ-RTBURBONSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001714402973 1419145520 /nfs/dbraw/zinc/14/55/20/1419145520.db2.gz HKFFMSFHPWYWLA-MOPGFXCFSA-N 2 0 347.547 3.378 10 30 EGEERP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001714528250 1419254838 /nfs/dbraw/zinc/25/48/38/1419254838.db2.gz VOOUPQAWFVQGSH-INIZCTEOSA-N 2 0 343.943 3.078 10 30 EGEERP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001714803910 1419517155 /nfs/dbraw/zinc/51/71/55/1419517155.db2.gz DPQLYBQIHYMSOG-PKOBYXMFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715437998 1420123368 /nfs/dbraw/zinc/12/33/68/1420123368.db2.gz SCGZLMNNGSKOMC-UYAOXDASSA-N 2 0 347.547 3.188 10 30 EGEERP C#CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCCCC1 ZINC001733276996 1429441629 /nfs/dbraw/zinc/44/16/29/1429441629.db2.gz APJGJNAXRRJXQJ-HXUWFJFHSA-N 2 0 347.547 3.024 10 30 EGEERP C#CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCCCC1 ZINC001733276995 1429441745 /nfs/dbraw/zinc/44/17/45/1429441745.db2.gz APJGJNAXRRJXQJ-FQEVSTJZSA-N 2 0 347.547 3.024 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001716830869 1420958323 /nfs/dbraw/zinc/95/83/23/1420958323.db2.gz YOVRKHGDIMVRFL-PZJWPPBQSA-N 2 0 347.547 3.142 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001717038099 1421092689 /nfs/dbraw/zinc/09/26/89/1421092689.db2.gz NOTFQOHNHQOSPU-RBUKOAKNSA-N 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C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001718022839 1421777782 /nfs/dbraw/zinc/77/77/82/1421777782.db2.gz KIKKVBODWDAELI-UYAOXDASSA-N 2 0 347.547 3.210 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001733457408 1429676620 /nfs/dbraw/zinc/67/66/20/1429676620.db2.gz CUQDVMVAZQSOSX-NRFANRHFSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001733463734 1429693974 /nfs/dbraw/zinc/69/39/74/1429693974.db2.gz CRJOGJHYGDZDLP-ICSRJNTNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC[C@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001723689675 1424530990 /nfs/dbraw/zinc/53/09/90/1424530990.db2.gz AQDZXGQWIUHERO-FPOVZHCZSA-N 2 0 349.563 3.388 10 30 EGEERP CCCCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001723856907 1424586744 /nfs/dbraw/zinc/58/67/44/1424586744.db2.gz BSSGQGKZBWGCAO-MJGOQNOKSA-N 2 0 337.552 3.268 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001733538561 1429744576 /nfs/dbraw/zinc/74/45/76/1429744576.db2.gz UWPXDEWFNMQKNV-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001724610575 1424949953 /nfs/dbraw/zinc/94/99/53/1424949953.db2.gz IQIQHSYZCLNYAY-UAFMIMERSA-N 2 0 347.547 3.092 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001724613669 1424957456 /nfs/dbraw/zinc/95/74/56/1424957456.db2.gz HHQJJSLVXKPKKX-WGSAOQKQSA-N 2 0 349.563 3.195 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001733569039 1429772088 /nfs/dbraw/zinc/77/20/88/1429772088.db2.gz ARCCKGAEDYZFBX-UAFMIMERSA-N 2 0 347.547 3.092 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001724730424 1425082446 /nfs/dbraw/zinc/08/24/46/1425082446.db2.gz VLDSCZVEPZAUSK-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001725230531 1425803477 /nfs/dbraw/zinc/80/34/77/1425803477.db2.gz VPOLDILFLZLNOU-ROUUACIJSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001725241489 1425847499 /nfs/dbraw/zinc/84/74/99/1425847499.db2.gz PEFBGAZAXSFEJZ-VQTJNVASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001725420437 1426068578 /nfs/dbraw/zinc/06/85/78/1426068578.db2.gz KRQDLOUKKGYISL-GOSISDBHSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)C[N@@H+](C)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001725730627 1426400141 /nfs/dbraw/zinc/40/01/41/1426400141.db2.gz HPLHNRWFMPMAHQ-UHFFFAOYSA-N 2 0 337.552 3.243 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001731350964 1427290057 /nfs/dbraw/zinc/29/00/57/1427290057.db2.gz PZRBHUWJEWJTHG-MJGOQNOKSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001731553899 1427578072 /nfs/dbraw/zinc/57/80/72/1427578072.db2.gz ZPLAZKQDBOUTKF-RBUKOAKNSA-N 2 0 335.536 3.140 10 30 EGEERP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001731664084 1427715088 /nfs/dbraw/zinc/71/50/88/1427715088.db2.gz VDRNGVMDVCJONW-LJQANCHMSA-N 2 0 349.563 3.271 10 30 EGEERP C=CCCC[NH+]1CCC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001731828366 1428034658 /nfs/dbraw/zinc/03/46/58/1428034658.db2.gz NYFSFWAZHNGXEV-SFHVURJKSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[N@@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001733773363 1430010028 /nfs/dbraw/zinc/01/00/28/1430010028.db2.gz DLNVACYNUSHSTN-UHFFFAOYSA-N 2 0 328.460 3.003 10 30 EGEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001733862933 1437691704 /nfs/dbraw/zinc/69/17/04/1437691704.db2.gz AYIQCIBHAWGWSA-UHFFFAOYSA-N 2 0 349.544 3.360 10 30 EGEERP C=CCC[NH+]1CCC2(CCN(C(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001733911332 1437729682 /nfs/dbraw/zinc/72/96/82/1437729682.db2.gz NPHZPXSVWQJJRT-UHFFFAOYSA-N 2 0 347.547 3.143 10 30 EGEERP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001734269600 1437994896 /nfs/dbraw/zinc/99/48/96/1437994896.db2.gz XLDQFSBZJWVEDX-IEBWSBKVSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001750946230 1440118774 /nfs/dbraw/zinc/11/87/74/1440118774.db2.gz YOHTVZGEEHTAPQ-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP N#Cc1ccc(N2CCC([NH2+]C3CC[NH+](C4CCC4)CC3)CC2)cc1 ZINC000353500127 274923524 /nfs/dbraw/zinc/92/35/24/274923524.db2.gz FQMHCWKSWWGFBN-UHFFFAOYSA-N 2 0 338.499 3.134 10 30 EGEERP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000151492044 307734177 /nfs/dbraw/zinc/73/41/77/307734177.db2.gz INAPCATYUOZUNG-UHFFFAOYSA-N 2 0 348.494 3.380 10 30 EGEERP N#Cc1ccc2ncc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)n2c1 ZINC000123193562 454613174 /nfs/dbraw/zinc/61/31/74/454613174.db2.gz DYVKQFKHSJWEFR-UHFFFAOYSA-N 2 0 345.450 3.092 10 30 EGEERP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(CC#N)CC2)CC1 ZINC000541922340 459511285 /nfs/dbraw/zinc/51/12/85/459511285.db2.gz WCNPJEVQGHKRTI-UHFFFAOYSA-N 2 0 340.515 3.344 10 30 EGEERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169035 460036188 /nfs/dbraw/zinc/03/61/88/460036188.db2.gz PBNONNFWWXSUHM-HXUWFJFHSA-N 2 0 343.515 3.420 10 30 EGEERP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658142002 462404602 /nfs/dbraw/zinc/40/46/02/462404602.db2.gz YDSOOHPQZGCEGM-NJDAHSKKSA-N 2 0 328.500 3.478 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000876896950 1299056538 /nfs/dbraw/zinc/05/65/38/1299056538.db2.gz OCDOHYNHBIEVRY-GOSISDBHSA-N 2 0 349.906 3.369 10 30 EGEERP C=CCC[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)[C@H]1CCCO1 ZINC000883202418 1302302278 /nfs/dbraw/zinc/30/22/78/1302302278.db2.gz AIGJHQARLLCJON-RTBURBONSA-N 2 0 336.520 3.125 10 30 EGEERP C#CCC1([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCOCC1 ZINC000887121988 1303682283 /nfs/dbraw/zinc/68/22/83/1303682283.db2.gz GEJVLKIGTQWMGL-UHFFFAOYSA-N 2 0 326.484 3.335 10 30 EGEERP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1 ZINC000895556906 1309400116 /nfs/dbraw/zinc/40/01/16/1309400116.db2.gz MOYAHPKSQLEPRT-SJORKVTESA-N 2 0 336.439 3.083 10 30 EGEERP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1 ZINC000895556903 1309400345 /nfs/dbraw/zinc/40/03/45/1309400345.db2.gz MOYAHPKSQLEPRT-DLBZAZTESA-N 2 0 336.439 3.083 10 30 EGEERP N#Cc1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC000921725804 1322385476 /nfs/dbraw/zinc/38/54/76/1322385476.db2.gz UQBQNYKYXNDCQL-UHFFFAOYSA-N 2 0 341.480 3.384 10 30 EGEERP CC1(C)C[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C[C@@H]([NH3+])C1 ZINC000925725796 1325270188 /nfs/dbraw/zinc/27/01/88/1325270188.db2.gz NYQVSXDOVASUJI-AEFFLSMTSA-N 2 0 326.488 3.023 10 30 EGEERP C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000866617126 1330133698 /nfs/dbraw/zinc/13/36/98/1330133698.db2.gz FMGOVECORPXXQG-IIBYNOLFSA-N 2 0 349.478 3.317 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001323695150 1387423177 /nfs/dbraw/zinc/42/31/77/1387423177.db2.gz CZQPXZBVNLBVSG-AQNXPRMDSA-N 2 0 347.547 3.138 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001324944434 1387840948 /nfs/dbraw/zinc/84/09/48/1387840948.db2.gz QYTSZESZRYNSIC-XLIONFOSSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001324947018 1387843691 /nfs/dbraw/zinc/84/36/91/1387843691.db2.gz GPNLUXBMPUVCGX-OAQYLSRUSA-N 2 0 349.563 3.435 10 30 EGEERP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001325364731 1387949959 /nfs/dbraw/zinc/94/99/59/1387949959.db2.gz YOXASKFZHVXRSA-VQTJNVASSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001325954669 1388097237 /nfs/dbraw/zinc/09/72/37/1388097237.db2.gz DNSFDVUIBAJQAC-VQTJNVASSA-N 2 0 347.547 3.142 10 30 EGEERP C=CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001266659318 1377361911 /nfs/dbraw/zinc/36/19/11/1377361911.db2.gz NPVZILRNEQVLLJ-UYAOXDASSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001327478697 1388531091 /nfs/dbraw/zinc/53/10/91/1388531091.db2.gz LWRXFTUCYNPAHR-MOPGFXCFSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001282715094 1378573563 /nfs/dbraw/zinc/57/35/63/1378573563.db2.gz OHNFDLNXKXVPPJ-ROUUACIJSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001283309933 1378796852 /nfs/dbraw/zinc/79/68/52/1378796852.db2.gz BXHWFCKAIKKJNK-HXUWFJFHSA-N 2 0 347.547 3.282 10 30 EGEERP C=C(C)C[NH2+]CCC[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001283434006 1378925338 /nfs/dbraw/zinc/92/53/38/1378925338.db2.gz MUQHMRWHRHLFHL-VQTJNVASSA-N 2 0 343.515 3.274 10 30 EGEERP C=CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001283435564 1378927710 /nfs/dbraw/zinc/92/77/10/1378927710.db2.gz XXRFYCKVIWLZJX-YSIASYRMSA-N 2 0 343.515 3.130 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001284100159 1379469973 /nfs/dbraw/zinc/46/99/73/1379469973.db2.gz DUOZZBPLLFLXBP-HSALFYBXSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001327902394 1388619927 /nfs/dbraw/zinc/61/99/27/1388619927.db2.gz LMITZRHOUIZIAC-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001284702471 1380117943 /nfs/dbraw/zinc/11/79/43/1380117943.db2.gz OXXPPRLQBFIBQD-IEBWSBKVSA-N 2 0 337.552 3.125 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001328509465 1388767728 /nfs/dbraw/zinc/76/77/28/1388767728.db2.gz JRMXUEWHWLXDCQ-MOPGFXCFSA-N 2 0 349.563 3.386 10 30 EGEERP 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 1384542674 /nfs/dbraw/zinc/54/26/74/1384542674.db2.gz NZSRBUGSSGAZIJ-MISYRCLQSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317174182 1384944159 /nfs/dbraw/zinc/94/41/59/1384944159.db2.gz PXSRZMNEBWKDTD-SLFFLAALSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317208828 1384985603 /nfs/dbraw/zinc/98/56/03/1384985603.db2.gz LUOBHTXSCNTKOU-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317524724 1385243507 /nfs/dbraw/zinc/24/35/07/1385243507.db2.gz BIWCEGJIPTXNDK-RDJZCZTQSA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001317801546 1385495294 /nfs/dbraw/zinc/49/52/94/1385495294.db2.gz CZAKCJWVNWVYLQ-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001318664557 1385824553 /nfs/dbraw/zinc/82/45/53/1385824553.db2.gz PARKNXXOBXLBCA-GOSISDBHSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001319459723 1386130871 /nfs/dbraw/zinc/13/08/71/1386130871.db2.gz BMVJUZWPZPJOAC-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001319762132 1386285165 /nfs/dbraw/zinc/28/51/65/1386285165.db2.gz CKLQMGHVFIEFMF-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001319819182 1386314984 /nfs/dbraw/zinc/31/49/84/1386314984.db2.gz SBMARZDJUDFEGQ-RBUKOAKNSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001319887902 1386363776 /nfs/dbraw/zinc/36/37/76/1386363776.db2.gz KCHZMKCIKDUDAW-UHFFFAOYSA-N 2 0 349.563 3.245 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001698681289 1406329073 /nfs/dbraw/zinc/32/90/73/1406329073.db2.gz BTTCRXLCRLTSCM-SFHVURJKSA-N 2 0 343.515 3.156 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001698681287 1406329074 /nfs/dbraw/zinc/32/90/74/1406329074.db2.gz BTTCRXLCRLTSCM-GOSISDBHSA-N 2 0 343.515 3.156 10 30 EGEERP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001698712555 1406354737 /nfs/dbraw/zinc/35/47/37/1406354737.db2.gz XYSQESKMWQQVOY-WGSAOQKQSA-N 2 0 349.563 3.482 10 30 EGEERP C=CCCC[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001330264458 1389372306 /nfs/dbraw/zinc/37/23/06/1389372306.db2.gz YIOANCHMLPXIFN-OALUTQOASA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001332149324 1390007813 /nfs/dbraw/zinc/00/78/13/1390007813.db2.gz UFXIMSIQPDXKGW-HSALFYBXSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001332387737 1390103088 /nfs/dbraw/zinc/10/30/88/1390103088.db2.gz MBSSZYYHKDRPCA-MSOLQXFVSA-N 2 0 347.547 3.044 10 30 EGEERP CCCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001332984793 1390229671 /nfs/dbraw/zinc/22/96/71/1390229671.db2.gz KOESZNLHVROIOT-PKOBYXMFSA-N 2 0 337.552 3.268 10 30 EGEERP C#CCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001335583857 1390706005 /nfs/dbraw/zinc/70/60/05/1390706005.db2.gz SIECHJCGQQKCJN-SLFFLAALSA-N 2 0 326.484 3.251 10 30 EGEERP 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 1392284681 /nfs/dbraw/zinc/28/46/81/1392284681.db2.gz HVTMPSDJAZZORX-FUMNGEBKSA-N 2 0 349.563 3.290 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001479667130 1392311537 /nfs/dbraw/zinc/31/15/37/1392311537.db2.gz LKYORCYMWBHETP-MOPGFXCFSA-N 2 0 349.563 3.221 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001479687723 1392319619 /nfs/dbraw/zinc/31/96/19/1392319619.db2.gz MCYQNVAJRJCOOL-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001480253503 1392638501 /nfs/dbraw/zinc/63/85/01/1392638501.db2.gz JRKHIFBAKDBOIX-INIZCTEOSA-N 2 0 349.544 3.218 10 30 EGEERP 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ZINC001481986768 1394648924 /nfs/dbraw/zinc/64/89/24/1394648924.db2.gz WBVZYQKCFVDNHR-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001482015621 1394672866 /nfs/dbraw/zinc/67/28/66/1394672866.db2.gz BEBTVXBKKFTFIT-UFYCRDLUSA-N 2 0 347.547 3.092 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482061554 1394722573 /nfs/dbraw/zinc/72/25/73/1394722573.db2.gz OOJDVXXLVNASCK-UXHICEINSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001482453447 1395011883 /nfs/dbraw/zinc/01/18/83/1395011883.db2.gz BGLSAESLLWHTAC-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001484137966 1395274810 /nfs/dbraw/zinc/27/48/10/1395274810.db2.gz ZOVXETDUMHITQP-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC001485568964 1396031693 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MSJMVDUTEDRLDJ-VQTJNVASSA-N 2 0 343.515 3.226 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001690718399 1404697040 /nfs/dbraw/zinc/69/70/40/1404697040.db2.gz GRRCGLVVVIVYIR-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001690823158 1404759851 /nfs/dbraw/zinc/75/98/51/1404759851.db2.gz TXQQVLXUKJUZLJ-UXHICEINSA-N 2 0 343.515 3.178 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001691381974 1405221312 /nfs/dbraw/zinc/22/13/12/1405221312.db2.gz BJLPJCFSZNKIHF-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691733435 1405456202 /nfs/dbraw/zinc/45/62/02/1405456202.db2.gz QHMAENDHHIXWOK-AZUAARDMSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691807257 1405519235 /nfs/dbraw/zinc/51/92/35/1405519235.db2.gz LNBQVKYGOGWUPE-BJLQDIEVSA-N 2 0 347.547 3.234 10 30 EGEERP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001691884882 1405607521 /nfs/dbraw/zinc/60/75/21/1405607521.db2.gz YSBCWTZCKARCBS-UAFMIMERSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H]1CC ZINC001692027386 1405746802 /nfs/dbraw/zinc/74/68/02/1405746802.db2.gz UFIGCYOUUBEXQG-IPMKNSEASA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001692118183 1405781096 /nfs/dbraw/zinc/78/10/96/1405781096.db2.gz JJYYBLWHTLVJJX-VAMGGRTRSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001732023537 1428241477 /nfs/dbraw/zinc/24/14/77/1428241477.db2.gz SZVBCRHGBVCJNG-XLIONFOSSA-N 2 0 343.515 3.130 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001732302450 1428520073 /nfs/dbraw/zinc/52/00/73/1428520073.db2.gz YPGDZQBZJKWEGF-UHFFFAOYSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1CC ZINC001699607822 1412971856 /nfs/dbraw/zinc/97/18/56/1412971856.db2.gz SLBAYVVTICGQAY-QUCCMNQESA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1CC ZINC001699607820 1412972120 /nfs/dbraw/zinc/97/21/20/1412972120.db2.gz SLBAYVVTICGQAY-AZUAARDMSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001699684737 1413081079 /nfs/dbraw/zinc/08/10/79/1413081079.db2.gz PHPJYAFIKIMAQI-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C(C)(C)C1 ZINC001700292469 1413747612 /nfs/dbraw/zinc/74/76/12/1413747612.db2.gz KSDVXFVJWAFSTK-RTBURBONSA-N 2 0 343.515 3.082 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001700435080 1414000538 /nfs/dbraw/zinc/00/05/38/1414000538.db2.gz ZHHVQNCNKLLGPS-CTWPCTMYSA-N 2 0 335.536 3.185 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCCC1 ZINC001700512603 1414162624 /nfs/dbraw/zinc/16/26/24/1414162624.db2.gz ZOYXYFBCHLBKHX-GBESFXJTSA-N 2 0 349.563 3.480 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC001700865260 1414516930 /nfs/dbraw/zinc/51/69/30/1414516930.db2.gz JRCUSIMCSKGBMH-BNDYYXHWSA-N 2 0 349.563 3.410 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001733686152 1429902033 /nfs/dbraw/zinc/90/20/33/1429902033.db2.gz IWFCBBTVBNQUPL-FHWLQOOXSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001707175660 1417229588 /nfs/dbraw/zinc/22/95/88/1417229588.db2.gz RYSLVCPINGWPDN-AQNXPRMDSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001733043533 1429173707 /nfs/dbraw/zinc/17/37/07/1429173707.db2.gz PVACEZAHGARROG-CABCVRRESA-N 2 0 328.460 3.048 10 30 EGEERP C=CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713275900 1417894907 /nfs/dbraw/zinc/89/49/07/1417894907.db2.gz OJJBNZSYZAVGLM-IRXDYDNUSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713720089 1418491289 /nfs/dbraw/zinc/49/12/89/1418491289.db2.gz NUDJMCIULBWVKZ-RTBURBONSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001713729564 1418513481 /nfs/dbraw/zinc/51/34/81/1418513481.db2.gz YNPXEHOYJKQSSU-MOPGFXCFSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001713758547 1418564499 /nfs/dbraw/zinc/56/44/99/1418564499.db2.gz RZWBSLHXRVGOSL-ICSRJNTNSA-N 2 0 343.515 3.036 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001714038093 1418827113 /nfs/dbraw/zinc/82/71/13/1418827113.db2.gz RTWBZZNDPGMEBF-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001714038094 1418827584 /nfs/dbraw/zinc/82/75/84/1418827584.db2.gz RTWBZZNDPGMEBF-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001714081704 1418875654 /nfs/dbraw/zinc/87/56/54/1418875654.db2.gz WUZXRUQTVOCSLW-UYAOXDASSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001714158287 1418968829 /nfs/dbraw/zinc/96/88/29/1418968829.db2.gz YHSYFDQJIBXMMT-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC001714526107 1419252085 /nfs/dbraw/zinc/25/20/85/1419252085.db2.gz OJVGVZCHJAAFKY-UHFFFAOYSA-N 2 0 347.547 3.143 10 30 EGEERP C=CC[NH2+][C@@H](CNC(=O)c1sccc1C[NH+](C)C)c1ccccc1 ZINC001714849248 1419561231 /nfs/dbraw/zinc/56/12/31/1419561231.db2.gz UXLKCQSXMFTUJD-KRWDZBQOSA-N 2 0 343.496 3.056 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001715021222 1419752588 /nfs/dbraw/zinc/75/25/88/1419752588.db2.gz VGPWPWIPSMUQKH-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001715409546 1420106012 /nfs/dbraw/zinc/10/60/12/1420106012.db2.gz GVXZPVLAJFIQDB-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCCCC1 ZINC001716713698 1420867497 /nfs/dbraw/zinc/86/74/97/1420867497.db2.gz OGCYWMSTGUVKMY-IBGZPJMESA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001716876380 1421001969 /nfs/dbraw/zinc/00/19/69/1421001969.db2.gz PYJQKIITJVDHDW-QUCCMNQESA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001716889468 1421013330 /nfs/dbraw/zinc/01/33/30/1421013330.db2.gz KWTURZOQZCGHSX-NQIIRXRSSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001717035679 1421089037 /nfs/dbraw/zinc/08/90/37/1421089037.db2.gz MZQUKHCBILPOIT-RBUKOAKNSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001717035677 1421089041 /nfs/dbraw/zinc/08/90/41/1421089041.db2.gz MZQUKHCBILPOIT-MOPGFXCFSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001717120386 1421124136 /nfs/dbraw/zinc/12/41/36/1421124136.db2.gz ANNILMZJLCGHRC-JCNLHEQBSA-N 2 0 349.544 3.264 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001717202358 1421170390 /nfs/dbraw/zinc/17/03/90/1421170390.db2.gz RBFMKZXHZDZYHK-VQTJNVASSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001717237241 1421205613 /nfs/dbraw/zinc/20/56/13/1421205613.db2.gz BLAVVDFKPIBNBR-UHFFFAOYSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001717334712 1421271512 /nfs/dbraw/zinc/27/15/12/1421271512.db2.gz YJUDWWAIWVAJOM-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001733293761 1429474273 /nfs/dbraw/zinc/47/42/73/1429474273.db2.gz VEVXHBVTDYPODX-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001733419369 1429625241 /nfs/dbraw/zinc/62/52/41/1429625241.db2.gz VQOIPQHITGOCPG-UWJYYQICSA-N 2 0 343.515 3.297 10 30 EGEERP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001723631212 1424498358 /nfs/dbraw/zinc/49/83/58/1424498358.db2.gz GQNMSHXROHWENA-MOPGFXCFSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001724334728 1424829724 /nfs/dbraw/zinc/82/97/24/1424829724.db2.gz VNOKNDVYICOAQU-HXUWFJFHSA-N 2 0 337.552 3.149 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001724341109 1424834154 /nfs/dbraw/zinc/83/41/54/1424834154.db2.gz QOLQHVKDBIFVNW-FPOVZHCZSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001724508388 1424884374 /nfs/dbraw/zinc/88/43/74/1424884374.db2.gz MPWNJBYHNXLAKK-AZUAARDMSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001724659247 1425033517 /nfs/dbraw/zinc/03/35/17/1425033517.db2.gz UZOZCSMDLVSWAC-UXHICEINSA-N 2 0 347.547 3.282 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001733569037 1429772270 /nfs/dbraw/zinc/77/22/70/1429772270.db2.gz ARCCKGAEDYZFBX-LWYYNNOASA-N 2 0 347.547 3.092 10 30 EGEERP C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC(C)C)CC1 ZINC001724861486 1425245120 /nfs/dbraw/zinc/24/51/20/1425245120.db2.gz LGKSHZFNCMKODS-BGYRXZFFSA-N 2 0 347.547 3.138 10 30 EGEERP C=CCC[NH2+]C1(C)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001724958265 1425345927 /nfs/dbraw/zinc/34/59/27/1425345927.db2.gz GTGDAKJTBMEKIZ-UHFFFAOYSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001731532673 1427523132 /nfs/dbraw/zinc/52/31/32/1427523132.db2.gz YTFRJIGUJWGBDG-LJQANCHMSA-N 2 0 343.515 3.156 10 30 EGEERP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001731756647 1427858277 /nfs/dbraw/zinc/85/82/77/1427858277.db2.gz CAQULGUWXPNGJI-LJQANCHMSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001733604718 1429814568 /nfs/dbraw/zinc/81/45/68/1429814568.db2.gz YNGQZNHHFQAGHJ-IPMKNSEASA-N 2 0 335.536 3.138 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001733762623 1429979139 /nfs/dbraw/zinc/97/91/39/1429979139.db2.gz BURQGNOFVGNBAN-RBUKOAKNSA-N 2 0 337.552 3.269 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001733897187 1437714768 /nfs/dbraw/zinc/71/47/68/1437714768.db2.gz CLTNIOKXBVAQLI-NVXWUHKLSA-N 2 0 349.544 3.359 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001734103583 1437888483 /nfs/dbraw/zinc/88/84/83/1437888483.db2.gz KIIJNWJVACUKTB-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001734194997 1437936026 /nfs/dbraw/zinc/93/60/26/1437936026.db2.gz VAISCRJYCIMQRB-SLFFLAALSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001734195933 1437936908 /nfs/dbraw/zinc/93/69/08/1437936908.db2.gz PRTGDODAXVRIMI-MOPGFXCFSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001734269598 1437994183 /nfs/dbraw/zinc/99/41/83/1437994183.db2.gz XLDQFSBZJWVEDX-HKUYNNGSSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001734299880 1438031502 /nfs/dbraw/zinc/03/15/02/1438031502.db2.gz FEYWWONCSACADC-ICSRJNTNSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC001734494070 1438131494 /nfs/dbraw/zinc/13/14/94/1438131494.db2.gz NWXYJZNZYMINHJ-RTBURBONSA-N 2 0 349.563 3.432 10 30 EGEERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(C#N)s1 ZINC000135026796 296118641 /nfs/dbraw/zinc/11/86/41/296118641.db2.gz LQJDPAZRFVDNBV-MRXNPFEDSA-N 2 0 346.544 3.221 10 30 EGEERP C[NH+](C)CC1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000353650210 165845098 /nfs/dbraw/zinc/84/50/98/165845098.db2.gz ZYHODJXWGYEYPE-UHFFFAOYSA-N 2 0 340.515 3.237 10 30 EGEERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1 ZINC000600716469 460576747 /nfs/dbraw/zinc/57/67/47/460576747.db2.gz GLCRDSKCGIANAP-XLIONFOSSA-N 2 0 341.499 3.205 10 30 EGEERP C=CCCC[C@@H](C)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000091633509 454453999 /nfs/dbraw/zinc/45/39/99/454453999.db2.gz OPLSOIOTBQXVSA-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP CN(c1ccccc1C[NH+]1CCC(C)(C#N)CC1)C1CC[NH+](C)CC1 ZINC000272589610 456005865 /nfs/dbraw/zinc/00/58/65/456005865.db2.gz ZWZJGGPKXZPLGC-UHFFFAOYSA-N 2 0 340.515 3.343 10 30 EGEERP CC[NH+](CC)CCOCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000349659930 457009089 /nfs/dbraw/zinc/00/90/89/457009089.db2.gz ANPBYDZXQYKPMO-UHFFFAOYSA-N 2 0 343.515 3.339 10 30 EGEERP C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415033844 458327167 /nfs/dbraw/zinc/32/71/67/458327167.db2.gz CCKIIGYWWNAHJC-ZWKOTPCHSA-N 2 0 330.472 3.224 10 30 EGEERP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cc2OC(F)F)[C@@H](C)C1 ZINC000437903197 458509634 /nfs/dbraw/zinc/50/96/34/458509634.db2.gz JILRLGNRDBZEKZ-XJKSGUPXSA-N 2 0 337.414 3.322 10 30 EGEERP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000424292092 458606156 /nfs/dbraw/zinc/60/61/56/458606156.db2.gz GCHPPPFGJFSNNR-LMNJBCLMSA-N 2 0 328.500 3.263 10 30 EGEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000424294266 458606263 /nfs/dbraw/zinc/60/62/63/458606263.db2.gz KDQMJKTVBLAWEJ-FCMAGTKHSA-N 2 0 326.484 3.363 10 30 EGEERP COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)ccc1C#N ZINC000440802041 458856007 /nfs/dbraw/zinc/85/60/07/458856007.db2.gz JEUMFHIOWFRXCN-UHFFFAOYSA-N 2 0 335.451 3.452 10 30 EGEERP Cc1ccnc(N2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)c1 ZINC000596988942 459812443 /nfs/dbraw/zinc/81/24/43/459812443.db2.gz KLPDZQKGCUTIJS-UHFFFAOYSA-N 2 0 332.451 3.267 10 30 EGEERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000929841111 1328716835 /nfs/dbraw/zinc/71/68/35/1328716835.db2.gz KGWLWWRCBWXFMM-QGZVFWFLSA-N 2 0 326.488 3.430 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940853464 1331221235 /nfs/dbraw/zinc/22/12/35/1331221235.db2.gz RMPVPUCLBLQDSR-GOSISDBHSA-N 2 0 340.471 3.049 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941238149 1331402704 /nfs/dbraw/zinc/40/27/04/1331402704.db2.gz UGZWDQTZHFAHBV-LJQANCHMSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1CC ZINC001323148146 1387303023 /nfs/dbraw/zinc/30/30/23/1387303023.db2.gz JSFZAAQBDCSJSO-UYAOXDASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001323817102 1387467286 /nfs/dbraw/zinc/46/72/86/1387467286.db2.gz WTFMQEAHSAAOEI-FPOVZHCZSA-N 2 0 347.547 3.142 10 30 EGEERP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001325364732 1387950199 /nfs/dbraw/zinc/95/01/99/1387950199.db2.gz YOXASKFZHVXRSA-WOJBJXKFSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001326774347 1388306897 /nfs/dbraw/zinc/30/68/97/1388306897.db2.gz YPHKMCHBJODYLW-HXUWFJFHSA-N 2 0 343.515 3.299 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001327143681 1388402244 /nfs/dbraw/zinc/40/22/44/1388402244.db2.gz VMGYEZIBWHLYAA-ROUUACIJSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001266877225 1377398856 /nfs/dbraw/zinc/39/88/56/1377398856.db2.gz JBTUPNMNTSKDDF-MOPGFXCFSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[NH+]1CCC(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001270158386 1377597081 /nfs/dbraw/zinc/59/70/81/1377597081.db2.gz UEVYCSMEDMFUTO-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001282716808 1378574682 /nfs/dbraw/zinc/57/46/82/1378574682.db2.gz NCUQUYJEYIKDIF-GJZGRUSLSA-N 2 0 349.544 3.215 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001282973740 1378693655 /nfs/dbraw/zinc/69/36/55/1378693655.db2.gz WHIHEEYVZKWHHR-RTBURBONSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001328294957 1388718641 /nfs/dbraw/zinc/71/86/41/1388718641.db2.gz PQNYYMAXFYOPIJ-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001328588088 1388783566 /nfs/dbraw/zinc/78/35/66/1388783566.db2.gz QBFQRKYJLJHARJ-ICSRJNTNSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001316702387 1384530099 /nfs/dbraw/zinc/53/00/99/1384530099.db2.gz ARMUFDIRTCCOSH-QUCCMNQESA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001317051117 1384827858 /nfs/dbraw/zinc/82/78/58/1384827858.db2.gz QDMSPRUAFUAGCH-KDURUIRLSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317521837 1385240003 /nfs/dbraw/zinc/24/00/03/1385240003.db2.gz FFATZBDSWRNOFL-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001317883781 1385561976 /nfs/dbraw/zinc/56/19/76/1385561976.db2.gz FACRBBFAQIDCAB-UHFFFAOYSA-N 2 0 349.563 3.389 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CCCCC1 ZINC001319651187 1386233410 /nfs/dbraw/zinc/23/34/10/1386233410.db2.gz LCGVVFOCAXSIIS-RTBURBONSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001319762133 1386284625 /nfs/dbraw/zinc/28/46/25/1386284625.db2.gz CKLQMGHVFIEFMF-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001320114956 1386522425 /nfs/dbraw/zinc/52/24/25/1386522425.db2.gz NCEHQJXUEMPEPC-VQTJNVASSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001698719884 1406365118 /nfs/dbraw/zinc/36/51/18/1406365118.db2.gz KGVLLQBJKVASBT-WOJBJXKFSA-N 2 0 343.515 3.089 10 30 EGEERP C=CCCC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001331053491 1389612111 /nfs/dbraw/zinc/61/21/11/1389612111.db2.gz LFAXMGSPIFFRKA-IBGZPJMESA-N 2 0 335.536 3.138 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001332140194 1390003854 /nfs/dbraw/zinc/00/38/54/1390003854.db2.gz NCZIPPDGALCRJX-CEXWTWQISA-N 2 0 347.547 3.044 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001332387744 1390102873 /nfs/dbraw/zinc/10/28/73/1390102873.db2.gz MBSSZYYHKDRPCA-ZWKOTPCHSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1(C)C ZINC001332405885 1390108330 /nfs/dbraw/zinc/10/83/30/1390108330.db2.gz ZTBMNJSOSMKWME-SFHVURJKSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001479527428 1392270038 /nfs/dbraw/zinc/27/00/38/1392270038.db2.gz UFBQRKIAUYTAAR-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001479528711 1392271319 /nfs/dbraw/zinc/27/13/19/1392271319.db2.gz PHVCTFFCGREQLU-YLJYHZDGSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001480204473 1392622154 /nfs/dbraw/zinc/62/21/54/1392622154.db2.gz KUJMRUKMZWSMOH-CADBVGFASA-N 2 0 347.547 3.233 10 30 EGEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001482019251 1394676004 /nfs/dbraw/zinc/67/60/04/1394676004.db2.gz ASVLEZGHQXSRMF-IYARVYRRSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH]cn1)CC2 ZINC001482243051 1394839597 /nfs/dbraw/zinc/83/95/97/1394839597.db2.gz CNUQNNDOCQNLEF-UHFFFAOYSA-N 2 0 344.503 3.013 10 30 EGEERP C=CCCCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001484132072 1395270699 /nfs/dbraw/zinc/27/06/99/1395270699.db2.gz KDLZYFWAIGZMPU-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001485480731 1395962878 /nfs/dbraw/zinc/96/28/78/1395962878.db2.gz RVFAJNFCHCFBRO-LJQANCHMSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(Cl)C[NH2+]CCC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001485779147 1396149523 /nfs/dbraw/zinc/14/95/23/1396149523.db2.gz VWTDVXRNZXXTRT-QZTJIDSGSA-N 2 0 349.906 3.060 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1(C)C ZINC001486246086 1396188462 /nfs/dbraw/zinc/18/84/62/1396188462.db2.gz CZUXUSWKJKRVBN-NQIIRXRSSA-N 2 0 349.563 3.269 10 30 EGEERP C=CC[N@@H+](CC)CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001505399271 1396287460 /nfs/dbraw/zinc/28/74/60/1396287460.db2.gz FQBKVBSIODHUIT-UHFFFAOYSA-N 2 0 343.515 3.108 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001494686384 1396489148 /nfs/dbraw/zinc/48/91/48/1396489148.db2.gz UNWMOKDTBFGKFI-SLFFLAALSA-N 2 0 349.563 3.362 10 30 EGEERP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001495598544 1396546524 /nfs/dbraw/zinc/54/65/24/1396546524.db2.gz IWHFZYSIKOBPRT-LJQANCHMSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)C[NH+]1CCC(N(CCC)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001690138477 1404335913 /nfs/dbraw/zinc/33/59/13/1404335913.db2.gz DVSUCSVLUXHBJL-UHFFFAOYSA-N 2 0 335.536 3.142 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001690213643 1404421679 /nfs/dbraw/zinc/42/16/79/1404421679.db2.gz IMSPRASSUHYTTJ-YSIASYRMSA-N 2 0 347.547 3.137 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001690504167 1404616180 /nfs/dbraw/zinc/61/61/80/1404616180.db2.gz AHSYBFWWMRPDNI-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001691165889 1405100779 /nfs/dbraw/zinc/10/07/79/1405100779.db2.gz IRXJVAOEYQMQMK-AZUAARDMSA-N 2 0 343.515 3.084 10 30 EGEERP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001731998367 1428207585 /nfs/dbraw/zinc/20/75/85/1428207585.db2.gz BLOKCWZZKIPLFK-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001732049909 1428289002 /nfs/dbraw/zinc/28/90/02/1428289002.db2.gz BXUJMSCQAVMNCO-MOPGFXCFSA-N 2 0 347.547 3.045 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732148026 1428391235 /nfs/dbraw/zinc/39/12/35/1428391235.db2.gz JFORCENFCFNPPW-ROUUACIJSA-N 2 0 335.536 3.116 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001732158204 1428401469 /nfs/dbraw/zinc/40/14/69/1428401469.db2.gz BEBFAQSOUJAYKT-ZWKOTPCHSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCCC[NH2+]CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001732303271 1428520428 /nfs/dbraw/zinc/52/04/28/1428520428.db2.gz MKOYZUWXZLEWCN-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001732307427 1428522328 /nfs/dbraw/zinc/52/23/28/1428522328.db2.gz BNWFTKFAXJYXDA-IEWDOMPSSA-N 2 0 335.536 3.088 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001732529342 1428649671 /nfs/dbraw/zinc/64/96/71/1428649671.db2.gz CZQKZUYWYXHKHB-PXNSSMCTSA-N 2 0 343.515 3.155 10 30 EGEERP 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 ZINC001699977083 1413420001 /nfs/dbraw/zinc/42/00/01/1413420001.db2.gz FIFPIQBIYYBSGT-FSGKZVOOSA-N 2 0 347.547 3.185 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001700177944 1413587225 /nfs/dbraw/zinc/58/72/25/1413587225.db2.gz TZVQLCULPQHBKM-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001700529218 1414194703 /nfs/dbraw/zinc/19/47/03/1414194703.db2.gz RBJBGINXQWCCPM-SFHVURJKSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001700696675 1414353905 /nfs/dbraw/zinc/35/39/05/1414353905.db2.gz MARMVALOBSKTEE-QGZVFWFLSA-N 2 0 337.552 3.242 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC001700855170 1414502118 /nfs/dbraw/zinc/50/21/18/1414502118.db2.gz CINCPQOQQZOPEF-AEFFLSMTSA-N 2 0 347.503 3.280 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001707121573 1417209588 /nfs/dbraw/zinc/20/95/88/1417209588.db2.gz HDDRSIHKNBYZJP-SXLOBPIMSA-N 2 0 343.515 3.130 10 30 EGEERP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001707242817 1417262814 /nfs/dbraw/zinc/26/28/14/1417262814.db2.gz WYHGKNRJKWWTKX-UXHICEINSA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001707249410 1417265392 /nfs/dbraw/zinc/26/53/92/1417265392.db2.gz NDTGARNSJQUPEY-QYZOEREBSA-N 2 0 337.552 3.409 10 30 EGEERP C=CCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001712999933 1417553254 /nfs/dbraw/zinc/55/32/54/1417553254.db2.gz PDXDUKOISRJDOM-MSOLQXFVSA-N 2 0 337.552 3.290 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001713678260 1418430195 /nfs/dbraw/zinc/43/01/95/1418430195.db2.gz WPFBKLHZRUMLCW-FXAWDEMLSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713997493 1418777039 /nfs/dbraw/zinc/77/70/39/1418777039.db2.gz IDZKPZDJZGPWCP-OKZBNKHCSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001714153475 1418961076 /nfs/dbraw/zinc/96/10/76/1418961076.db2.gz IAILLMIFXUKORZ-AZUAARDMSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001714356783 1419120662 /nfs/dbraw/zinc/12/06/62/1419120662.db2.gz GJCMPWLCBKPCRD-MOPGFXCFSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001714452634 1419185302 /nfs/dbraw/zinc/18/53/02/1419185302.db2.gz CELVOCCADADISZ-RTBURBONSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001714817263 1419528083 /nfs/dbraw/zinc/52/80/83/1419528083.db2.gz HNPUWOARKWRFAR-SFHVURJKSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001714838144 1419550936 /nfs/dbraw/zinc/55/09/36/1419550936.db2.gz MGOAWQBSQQPIKN-IHPCNDPISA-N 2 0 343.515 3.130 10 30 EGEERP C=CCCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001714894655 1419634594 /nfs/dbraw/zinc/63/45/94/1419634594.db2.gz HAIRPQWTKAHXQP-IBGZPJMESA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001715393421 1420091020 /nfs/dbraw/zinc/09/10/20/1420091020.db2.gz ZUHVOAXPLMAYCU-HKUYNNGSSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001733268158 1429428891 /nfs/dbraw/zinc/42/88/91/1429428891.db2.gz HFCDBGLOOHXAMT-FQVATPOOSA-N 2 0 347.547 3.327 10 30 EGEERP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001716724372 1420882789 /nfs/dbraw/zinc/88/27/89/1420882789.db2.gz DJOCTOVDHJMFPQ-TZIWHRDSSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001716763189 1420909773 /nfs/dbraw/zinc/90/97/73/1420909773.db2.gz CQQZCIBPZMMRSH-ROUUACIJSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001716771053 1420914821 /nfs/dbraw/zinc/91/48/21/1420914821.db2.gz QSDOKSINIRXSLO-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001717038524 1421093004 /nfs/dbraw/zinc/09/30/04/1421093004.db2.gz OMMYCZLTJQXNBK-WOJBJXKFSA-N 2 0 347.547 3.284 10 30 EGEERP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001717038523 1421093451 /nfs/dbraw/zinc/09/34/51/1421093451.db2.gz OMMYCZLTJQXNBK-VQTJNVASSA-N 2 0 347.547 3.284 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001717092913 1421106299 /nfs/dbraw/zinc/10/62/99/1421106299.db2.gz GYZKJKSDCFIKTO-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001717120412 1421124091 /nfs/dbraw/zinc/12/40/91/1421124091.db2.gz BLZSAEGWXCGMEX-KZNAEPCWSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001717218102 1421196040 /nfs/dbraw/zinc/19/60/40/1421196040.db2.gz ZDRLMMKZUZXQNM-PMACEKPBSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001717237278 1421205595 /nfs/dbraw/zinc/20/55/95/1421205595.db2.gz CUIJINVTPPRNSB-SFHVURJKSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001733288780 1429466020 /nfs/dbraw/zinc/46/60/20/1429466020.db2.gz YRUNLSLGLWHVKP-UYAOXDASSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC001717309054 1421251505 /nfs/dbraw/zinc/25/15/05/1421251505.db2.gz DNWQXDGCURFNKO-MOPGFXCFSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCCCC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001717586444 1421514039 /nfs/dbraw/zinc/51/40/39/1421514039.db2.gz LOYYTCPWQICIMY-IBGZPJMESA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001717849091 1421662114 /nfs/dbraw/zinc/66/21/14/1421662114.db2.gz LUEFIOGUUQHPJO-CEXWTWQISA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001717978816 1421749579 /nfs/dbraw/zinc/74/95/79/1421749579.db2.gz KAZYWQNLMZTHJF-MJGOQNOKSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001733458574 1429679525 /nfs/dbraw/zinc/67/95/25/1429679525.db2.gz GSRWBVWRXUUCMV-QUCCMNQESA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001724294785 1424780181 /nfs/dbraw/zinc/78/01/81/1424780181.db2.gz YPKYRHBOKXZJID-RTBURBONSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001724530226 1424895877 /nfs/dbraw/zinc/89/58/77/1424895877.db2.gz GZOPTGXLAPBCNE-HZPDHXFCSA-N 2 0 349.544 3.216 10 30 EGEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001724852942 1425218370 /nfs/dbraw/zinc/21/83/70/1425218370.db2.gz AWPZDNZIPYLFDJ-IBGZPJMESA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001725228018 1425797141 /nfs/dbraw/zinc/79/71/41/1425797141.db2.gz DVRABFCGLSMRHL-MSOLQXFVSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001725583166 1426238200 /nfs/dbraw/zinc/23/82/00/1426238200.db2.gz LQRUKAHNAPONJP-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001725611212 1426269993 /nfs/dbraw/zinc/26/99/93/1426269993.db2.gz WQXFRWZRMYLIPW-NQIIRXRSSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[N@@H+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001725765034 1426447683 /nfs/dbraw/zinc/44/76/83/1426447683.db2.gz MTBGXTOFQHQYGO-UHFFFAOYSA-N 2 0 328.460 3.001 10 30 EGEERP C=CCC[NH+]1CCC(N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001731387718 1427336752 /nfs/dbraw/zinc/33/67/52/1427336752.db2.gz NCRTZPBRKVEDLB-UHFFFAOYSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001731704581 1427757512 /nfs/dbraw/zinc/75/75/12/1427757512.db2.gz SUZGKWMBKWUWIX-WOJBJXKFSA-N 2 0 343.515 3.345 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001733694143 1429911606 /nfs/dbraw/zinc/91/16/06/1429911606.db2.gz YBYFVVWYAAGODW-RBUKOAKNSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001734032799 1437820761 /nfs/dbraw/zinc/82/07/61/1437820761.db2.gz AXOHTHNSNQSDRV-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001734103586 1437888342 /nfs/dbraw/zinc/88/83/42/1437888342.db2.gz KIIJNWJVACUKTB-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001734578783 1438171325 /nfs/dbraw/zinc/17/13/25/1438171325.db2.gz JSMRTBSPKXCZIE-SCTDSRPQSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC(C)(C)C1 ZINC001750943776 1440116991 /nfs/dbraw/zinc/11/69/91/1440116991.db2.gz AGQUHXVVKMKYNW-ROUUACIJSA-N 2 0 337.552 3.288 10 30 EGEERP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000134157553 454509317 /nfs/dbraw/zinc/50/93/17/454509317.db2.gz PNJDQLWOOMMJII-UHFFFAOYSA-N 2 0 339.487 3.150 10 30 EGEERP C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000177856149 454913737 /nfs/dbraw/zinc/91/37/37/454913737.db2.gz GJEYSESQZGSQET-HNNXBMFYSA-N 2 0 341.430 3.489 10 30 EGEERP C=CCc1cc(CN2CCC([NH+]3CCCC3)CC2)cc(OC)c1O ZINC000127720063 454990991 /nfs/dbraw/zinc/99/09/91/454990991.db2.gz BQVQZUVBVYYZTA-UHFFFAOYSA-N 2 0 330.472 3.190 10 30 EGEERP C=CCc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc(OC)c1O ZINC000247299489 455585224 /nfs/dbraw/zinc/58/52/24/455585224.db2.gz ZOORBVLCWJIVIH-MAUKXSAKSA-N 2 0 341.455 3.409 10 30 EGEERP N#C[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000248882396 455736521 /nfs/dbraw/zinc/73/65/21/455736521.db2.gz RTGXROFIXDCTRU-GIVPXCGWSA-N 2 0 341.499 3.104 10 30 EGEERP C[N@@H+]1CCC[C@H]2CN(Cc3cccn3Cc3ccccc3C#N)CC[C@H]21 ZINC000249453178 455757095 /nfs/dbraw/zinc/75/70/95/455757095.db2.gz CUNIZYUMCNPDAE-RBBKRZOGSA-N 2 0 348.494 3.324 10 30 EGEERP C=CCc1cc(CN(CC[NH3+])CCc2ccccc2)cc(OC)c1O ZINC000262106302 455998470 /nfs/dbraw/zinc/99/84/70/455998470.db2.gz WBCFOTWARDMMSC-UHFFFAOYSA-N 2 0 340.467 3.133 10 30 EGEERP CCOCCC[N@@H+]1CC[C@H](NCC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000469770362 458589232 /nfs/dbraw/zinc/58/92/32/458589232.db2.gz UOEMWDLNSJEMLS-XLIONFOSSA-N 2 0 348.918 3.418 10 30 EGEERP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594939323 459184668 /nfs/dbraw/zinc/18/46/68/459184668.db2.gz VJPYIFHXCYVESS-UHFFFAOYSA-N 2 0 347.466 3.001 10 30 EGEERP N#Cc1ccc(CN2CCC([NH2+][C@@H]3CNc4ccccc4C3)CC2)cc1 ZINC000593319208 459839645 /nfs/dbraw/zinc/83/96/45/459839645.db2.gz JQEXWRSQXTYVHZ-NRFANRHFSA-N 2 0 346.478 3.149 10 30 EGEERP C[NH2+]Cc1ccccc1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000593323626 459842339 /nfs/dbraw/zinc/84/23/39/459842339.db2.gz RMLOOJNYZWNCAQ-UHFFFAOYSA-N 2 0 348.494 3.032 10 30 EGEERP N#Cc1ccc2ncc(C[NH2+]CCCCCCC[NH+]3CCCC3)n2c1 ZINC000736639422 575996668 /nfs/dbraw/zinc/99/66/68/575996668.db2.gz WLFKUSBOGMCXBH-UHFFFAOYSA-N 2 0 339.487 3.342 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000876719694 1298937026 /nfs/dbraw/zinc/93/70/26/1298937026.db2.gz SMTMVYVOFIZMJV-GUYCJALGSA-N 2 0 335.879 3.327 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000876719776 1298939893 /nfs/dbraw/zinc/93/98/93/1298939893.db2.gz VEFWXJMDKNBHOF-QAPCUYQASA-N 2 0 349.906 3.147 10 30 EGEERP C#C[C@H]([NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)C1CCOCC1 ZINC000877638292 1299446146 /nfs/dbraw/zinc/44/61/46/1299446146.db2.gz VWSSNZKJUDFZGI-BAGYTPMASA-N 2 0 338.495 3.373 10 30 EGEERP C=CCC[C@H](Cc1ccccc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000883170925 1302282543 /nfs/dbraw/zinc/28/25/43/1302282543.db2.gz JESXTOYIOXBUSW-OAQYLSRUSA-N 2 0 329.532 3.180 10 30 EGEERP C[C@]1(C#N)CC[NH+](CC[Si](C)(C)CC[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000859358503 1328974593 /nfs/dbraw/zinc/97/45/93/1328974593.db2.gz GVNILAQFBNTWMY-QZTJIDSGSA-N 2 0 332.568 3.166 10 30 EGEERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC000925725808 1325270613 /nfs/dbraw/zinc/27/06/13/1325270613.db2.gz NYQVSXDOVASUJI-SJLPKXTDSA-N 2 0 326.488 3.023 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001323958010 1387500809 /nfs/dbraw/zinc/50/08/09/1387500809.db2.gz LTHXQOBNFWAFOQ-QGZVFWFLSA-N 2 0 335.536 3.138 10 30 EGEERP 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 1388024147 /nfs/dbraw/zinc/02/41/47/1388024147.db2.gz ZYUUQUSKHPVRSH-MUGJNUQGSA-N 2 0 349.563 3.195 10 30 EGEERP CCCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001265650673 1377158557 /nfs/dbraw/zinc/15/85/57/1377158557.db2.gz CGINJKDBIZBHFR-IBGZPJMESA-N 2 0 337.552 3.269 10 30 EGEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001266223497 1377235677 /nfs/dbraw/zinc/23/56/77/1377235677.db2.gz RFMBDZMPSPRLEB-IBGZPJMESA-N 2 0 347.547 3.024 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001279574752 1378312473 /nfs/dbraw/zinc/31/24/73/1378312473.db2.gz BCLBTLVSFMKHER-AABGKKOBSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001282716805 1378574735 /nfs/dbraw/zinc/57/47/35/1378574735.db2.gz NCUQUYJEYIKDIF-CABCVRRESA-N 2 0 349.544 3.215 10 30 EGEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001151360396 1379704917 /nfs/dbraw/zinc/70/49/17/1379704917.db2.gz YCMUIFYOYACMHU-FQEVSTJZSA-N 2 0 343.515 3.055 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC1(C)C ZINC001284321965 1379712045 /nfs/dbraw/zinc/71/20/45/1379712045.db2.gz DXABLDVNVSNPIZ-DLBZAZTESA-N 2 0 337.552 3.146 10 30 EGEERP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001328097986 1388669288 /nfs/dbraw/zinc/66/92/88/1388669288.db2.gz KHCVIMVLCCHSTJ-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001328265670 1388702812 /nfs/dbraw/zinc/70/28/12/1388702812.db2.gz CLAHHDNMIZMOEO-QZTJIDSGSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001328747516 1388838370 /nfs/dbraw/zinc/83/83/70/1388838370.db2.gz BGUPXPLSOUDHSZ-IBGZPJMESA-N 2 0 347.547 3.284 10 30 EGEERP CCCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001317191914 1384966058 /nfs/dbraw/zinc/96/60/58/1384966058.db2.gz KUWAXRLLLMBWMZ-IBGZPJMESA-N 2 0 337.552 3.269 10 30 EGEERP C=CCC[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317208826 1384985616 /nfs/dbraw/zinc/98/56/16/1384985616.db2.gz LUOBHTXSCNTKOU-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317328015 1385084087 /nfs/dbraw/zinc/08/40/87/1385084087.db2.gz ZCWKRGSNTDYLLX-ROUUACIJSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001317445881 1385146370 /nfs/dbraw/zinc/14/63/70/1385146370.db2.gz MKZSNKIYUCIGBR-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001317678134 1385386378 /nfs/dbraw/zinc/38/63/78/1385386378.db2.gz VPTHFMJCMKNZCG-ICSRJNTNSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317977994 1385596216 /nfs/dbraw/zinc/59/62/16/1385596216.db2.gz SPCMIKMATJGDIU-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001319662198 1386241942 /nfs/dbraw/zinc/24/19/42/1386241942.db2.gz HBUWBCPCCSJQFG-MJGOQNOKSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001698675291 1406323857 /nfs/dbraw/zinc/32/38/57/1406323857.db2.gz YSNFSVLLPOYBFN-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001332959926 1390224548 /nfs/dbraw/zinc/22/45/48/1390224548.db2.gz FPXHKJFBJNYOHU-QUCCMNQESA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001479747627 1392364533 /nfs/dbraw/zinc/36/45/33/1392364533.db2.gz CMAAPUXVIWDBBO-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001479986900 1392519029 /nfs/dbraw/zinc/51/90/29/1392519029.db2.gz AGKZXEBVABIHDU-RBUKOAKNSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480363834 1392707826 /nfs/dbraw/zinc/70/78/26/1392707826.db2.gz ZWYOCJCIWPJTRD-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001481350551 1393172879 /nfs/dbraw/zinc/17/28/79/1393172879.db2.gz MDVOOLGRIOGHDH-SFHVURJKSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001490597181 1394278770 /nfs/dbraw/zinc/27/87/70/1394278770.db2.gz MYUVQEXJDBRQOJ-SFHVURJKSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482460600 1395019215 /nfs/dbraw/zinc/01/92/15/1395019215.db2.gz FSRCNHHKEZMOON-FQEVSTJZSA-N 2 0 343.515 3.299 10 30 EGEERP C=CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001482481381 1395035513 /nfs/dbraw/zinc/03/55/13/1395035513.db2.gz ZIPLDMUHGACNJD-ICSRJNTNSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001482506203 1395059528 /nfs/dbraw/zinc/05/95/28/1395059528.db2.gz RJVVFGHTLFLWQX-ICSRJNTNSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001485658876 1396089505 /nfs/dbraw/zinc/08/95/05/1396089505.db2.gz ZQKUZSAVHXSMRC-UFYCRDLUSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001502947648 1396234262 /nfs/dbraw/zinc/23/42/62/1396234262.db2.gz FPOUQJDLACOBAE-MOPGFXCFSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(Cl)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001689134870 1396940895 /nfs/dbraw/zinc/94/08/95/1396940895.db2.gz LZKCUVWTDDAWSH-NVXWUHKLSA-N 2 0 343.943 3.076 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001690826592 1404764394 /nfs/dbraw/zinc/76/43/94/1404764394.db2.gz KIMCYUNELVBCBZ-FQEVSTJZSA-N 2 0 343.515 3.251 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001732003477 1428214708 /nfs/dbraw/zinc/21/47/08/1428214708.db2.gz FCFBCUQAQQQWOW-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C(C)(C)C ZINC001725748447 1426426894 /nfs/dbraw/zinc/42/68/94/1426426894.db2.gz ALIGDZAWUHMTJN-RTBURBONSA-N 2 0 345.531 3.376 10 30 EGEERP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001691434876 1405267958 /nfs/dbraw/zinc/26/79/58/1405267958.db2.gz SKKGBEIMHHWTOF-YZGWKJHDSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001691671635 1405406385 /nfs/dbraw/zinc/40/63/85/1405406385.db2.gz KVJAMDHPSDQBAF-AZUAARDMSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001691673426 1405407104 /nfs/dbraw/zinc/40/71/04/1405407104.db2.gz XGRRGMLHBZIQAZ-ICSRJNTNSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001691695430 1405429185 /nfs/dbraw/zinc/42/91/85/1405429185.db2.gz AQUROKYDJAREOP-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001691890101 1405613504 /nfs/dbraw/zinc/61/35/04/1405613504.db2.gz UWMVJOPOIKISOA-DLBZAZTESA-N 2 0 335.536 3.090 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001733598972 1429799402 /nfs/dbraw/zinc/79/94/02/1429799402.db2.gz VQCJAAQWVZZGDQ-QRVBRYPASA-N 2 0 335.536 3.116 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001732313621 1428525463 /nfs/dbraw/zinc/52/54/63/1428525463.db2.gz GRKXPDPDMRAOPP-MKXGPGLRSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCCC[NH2+]CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001732303272 1428520542 /nfs/dbraw/zinc/52/05/42/1428520542.db2.gz MKOYZUWXZLEWCN-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001732321580 1428531054 /nfs/dbraw/zinc/53/10/54/1428531054.db2.gz MDUOAVQPCODRLU-LJQANCHMSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC001732331082 1428537397 /nfs/dbraw/zinc/53/73/97/1428537397.db2.gz JVNYECFHHFOHNJ-UHFFFAOYSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001732325591 1428534071 /nfs/dbraw/zinc/53/40/71/1428534071.db2.gz VQDBNKASMHDGMB-LJQANCHMSA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001699763438 1413168690 /nfs/dbraw/zinc/16/86/90/1413168690.db2.gz LSMVSSIEQFPCLQ-ICSRJNTNSA-N 2 0 335.536 3.023 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001699874394 1413327936 /nfs/dbraw/zinc/32/79/36/1413327936.db2.gz OQVQOUYNCHVUCR-CTNGQTDRSA-N 2 0 349.563 3.293 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001699879839 1413346082 /nfs/dbraw/zinc/34/60/82/1413346082.db2.gz ZGZMVRMKXJKJNN-FPOVZHCZSA-N 2 0 349.563 3.291 10 30 EGEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001699984959 1413431716 /nfs/dbraw/zinc/43/17/16/1413431716.db2.gz VAABVFFJWOVFPR-UHFFFAOYSA-N 2 0 348.450 3.061 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001700354734 1413854403 /nfs/dbraw/zinc/85/44/03/1413854403.db2.gz UUKNFOLDNJDRMQ-RTBURBONSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCCC1 ZINC001700512602 1414162565 /nfs/dbraw/zinc/16/25/65/1414162565.db2.gz ZOYXYFBCHLBKHX-CEXWTWQISA-N 2 0 349.563 3.480 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)(C)C ZINC001700995168 1414642779 /nfs/dbraw/zinc/64/27/79/1414642779.db2.gz GECFCCMVIBSVSI-QZTJIDSGSA-N 2 0 337.552 3.336 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001732630889 1428893035 /nfs/dbraw/zinc/89/30/35/1428893035.db2.gz NNZUHRMADPWNRJ-OALUTQOASA-N 2 0 349.563 3.339 10 30 EGEERP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001713258018 1417861817 /nfs/dbraw/zinc/86/18/17/1417861817.db2.gz OMSZMBSOICYILV-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001713259474 1417867440 /nfs/dbraw/zinc/86/74/40/1417867440.db2.gz UFJYHHMWRPAVRZ-UXHICEINSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713752299 1418553707 /nfs/dbraw/zinc/55/37/07/1418553707.db2.gz MDHVIZGBXKNOCR-OALUTQOASA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001713934287 1418724008 /nfs/dbraw/zinc/72/40/08/1418724008.db2.gz PHMAWLGLLGVTGO-SLFFLAALSA-N 2 0 347.547 3.138 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001714126997 1418931321 /nfs/dbraw/zinc/93/13/21/1418931321.db2.gz GPQBFWZGMVYWAI-QGZVFWFLSA-N 2 0 349.544 3.360 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001714142114 1418944282 /nfs/dbraw/zinc/94/42/82/1418944282.db2.gz MOUDDKVKGWJXTG-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001714402975 1419145417 /nfs/dbraw/zinc/14/54/17/1419145417.db2.gz HKFFMSFHPWYWLA-RBUKOAKNSA-N 2 0 347.547 3.378 10 30 EGEERP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001715484294 1420164213 /nfs/dbraw/zinc/16/42/13/1420164213.db2.gz GICLPUVTCAJZMB-UXHICEINSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001717034895 1421088614 /nfs/dbraw/zinc/08/86/14/1421088614.db2.gz CUCHBQWUEBRFKN-HSALFYBXSA-N 2 0 347.547 3.140 10 30 EGEERP 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 1421126135 /nfs/dbraw/zinc/12/61/35/1421126135.db2.gz YJCIYQNMSYHQCH-HVTWWXFQSA-N 2 0 349.563 3.336 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC001717800166 1421629167 /nfs/dbraw/zinc/62/91/67/1421629167.db2.gz DATOLAMAZRBLHW-UYAOXDASSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001717980046 1421751272 /nfs/dbraw/zinc/75/12/72/1421751272.db2.gz SVABXJHMOQASOK-QUCCMNQESA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001733393304 1429585564 /nfs/dbraw/zinc/58/55/64/1429585564.db2.gz RRGOVQKUNNSFCU-NRFANRHFSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCCCC[NH+]1CCC(C)(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001733451038 1429663107 /nfs/dbraw/zinc/66/31/07/1429663107.db2.gz DSLGIDPHCIKBNC-UHFFFAOYSA-N 2 0 349.563 3.293 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001723692294 1424532916 /nfs/dbraw/zinc/53/29/16/1424532916.db2.gz XCRNGGATQBEYND-OAQYLSRUSA-N 2 0 347.547 3.143 10 30 EGEERP C=CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001724530225 1424895969 /nfs/dbraw/zinc/89/59/69/1424895969.db2.gz GZOPTGXLAPBCNE-HOTGVXAUSA-N 2 0 349.544 3.216 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001724745461 1425114090 /nfs/dbraw/zinc/11/40/90/1425114090.db2.gz IUUCFNOKFHPZPI-FXAWDEMLSA-N 2 0 343.515 3.404 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC001724759203 1425129656 /nfs/dbraw/zinc/12/96/56/1425129656.db2.gz GJASROCLSCIMGW-SFHVURJKSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001724870344 1425253268 /nfs/dbraw/zinc/25/32/68/1425253268.db2.gz YIRFWAHQWRTEFS-PMACEKPBSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001725025175 1425441876 /nfs/dbraw/zinc/44/18/76/1425441876.db2.gz CLKYOFLSDZTSHW-FQEVSTJZSA-N 2 0 349.563 3.388 10 30 EGEERP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001731292443 1427234884 /nfs/dbraw/zinc/23/48/84/1427234884.db2.gz FAJIJKJOSREGIU-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001731500929 1427481622 /nfs/dbraw/zinc/48/16/22/1427481622.db2.gz FONMJTDZDPWKHL-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001731562193 1427599689 /nfs/dbraw/zinc/59/96/89/1427599689.db2.gz XPCZUKUZTQSEGO-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001733760356 1429974641 /nfs/dbraw/zinc/97/46/41/1429974641.db2.gz KGIYZJFIUPXVMX-RTBURBONSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001734153631 1437920858 /nfs/dbraw/zinc/92/08/58/1437920858.db2.gz JEZACPJPFKDUSQ-MOPGFXCFSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001734192457 1437933684 /nfs/dbraw/zinc/93/36/84/1437933684.db2.gz FIEOGXREJDHHQT-FHWLQOOXSA-N 2 0 349.563 3.147 10 30 EGEERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000174252841 296118722 /nfs/dbraw/zinc/11/87/22/296118722.db2.gz UJCAVPDMALFKSY-GOSISDBHSA-N 2 0 340.515 3.159 10 30 EGEERP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000175990773 323325417 /nfs/dbraw/zinc/32/54/17/323325417.db2.gz GMMRIIOSAHHECD-UHFFFAOYSA-N 2 0 339.487 3.054 10 30 EGEERP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600717933 460578154 /nfs/dbraw/zinc/57/81/54/460578154.db2.gz UJDVCISZPRQXMK-FXAWDEMLSA-N 2 0 341.499 3.063 10 30 EGEERP C=CCOc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237668494 455205193 /nfs/dbraw/zinc/20/51/93/455205193.db2.gz CQPITVPHFWJPTJ-HDICACEKSA-N 2 0 332.488 3.230 10 30 EGEERP C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415033839 458327547 /nfs/dbraw/zinc/32/75/47/458327547.db2.gz CCKIIGYWWNAHJC-QZTJIDSGSA-N 2 0 330.472 3.224 10 30 EGEERP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000423296049 458430687 /nfs/dbraw/zinc/43/06/87/458430687.db2.gz YFZOBMWDZZBGEM-QGZVFWFLSA-N 2 0 348.494 3.332 10 30 EGEERP CC(C)[NH+]1CCN(CCC[NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000433019310 458827888 /nfs/dbraw/zinc/82/78/88/458827888.db2.gz MRZVRRHYKQKAMA-OAQYLSRUSA-N 2 0 342.531 3.427 10 30 EGEERP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)[C@H](c2ccccc2)C1 ZINC000592404486 459595916 /nfs/dbraw/zinc/59/59/16/459595916.db2.gz YQOXRNWFLODDRZ-HJNYFJLDSA-N 2 0 331.463 3.481 10 30 EGEERP C[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC1(C)C ZINC000598978995 460114226 /nfs/dbraw/zinc/11/42/26/460114226.db2.gz YOVUZQJTRXVSEM-ADKAHSJRSA-N 2 0 342.487 3.106 10 30 EGEERP C=CC[C@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000651831886 462352007 /nfs/dbraw/zinc/35/20/07/462352007.db2.gz MTXGUQSJEWWSPY-ICSRJNTNSA-N 2 0 328.500 3.348 10 30 EGEERP C=CC[C@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000651831885 462352876 /nfs/dbraw/zinc/35/28/76/462352876.db2.gz MTXGUQSJEWWSPY-AZUAARDMSA-N 2 0 328.500 3.348 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000876739850 1298952234 /nfs/dbraw/zinc/95/22/34/1298952234.db2.gz JQBCKHFUYYZDSU-GOSISDBHSA-N 2 0 349.906 3.005 10 30 EGEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886628440 1303530930 /nfs/dbraw/zinc/53/09/30/1303530930.db2.gz QORAQPMPUJLGRA-WHZJULEDSA-N 2 0 326.484 3.220 10 30 EGEERP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000921858285 1322413801 /nfs/dbraw/zinc/41/38/01/1322413801.db2.gz CXAYUKUIKIOZLS-LEWJYISDSA-N 2 0 341.499 3.033 10 30 EGEERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC000925725806 1325270507 /nfs/dbraw/zinc/27/05/07/1325270507.db2.gz NYQVSXDOVASUJI-FUHWJXTLSA-N 2 0 326.488 3.023 10 30 EGEERP C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000866617127 1330133522 /nfs/dbraw/zinc/13/35/22/1330133522.db2.gz FMGOVECORPXXQG-KKSFZXQISA-N 2 0 349.478 3.317 10 30 EGEERP C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866616934 1330133731 /nfs/dbraw/zinc/13/37/31/1330133731.db2.gz CSTCZCNHYNVFII-IIBYNOLFSA-N 2 0 349.478 3.317 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801299 1331199014 /nfs/dbraw/zinc/19/90/14/1331199014.db2.gz RUMNZCNNYNGZIJ-RTBURBONSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)C[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH]cn1)C1CCCCCC1 ZINC001323721037 1387430409 /nfs/dbraw/zinc/43/04/09/1387430409.db2.gz CMVUQGFKJLAPKH-KRWDZBQOSA-N 2 0 346.519 3.305 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001324887085 1387806449 /nfs/dbraw/zinc/80/64/49/1387806449.db2.gz RWAWAXCJVQSLOY-QZTJIDSGSA-N 2 0 337.552 3.146 10 30 EGEERP 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 1388016055 /nfs/dbraw/zinc/01/60/55/1388016055.db2.gz SXDZTBBWZRNEAN-KNJMJIDISA-N 2 0 349.563 3.287 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001327149297 1388406445 /nfs/dbraw/zinc/40/64/45/1388406445.db2.gz XXGIQIYDVODSTO-MSOLQXFVSA-N 2 0 337.552 3.290 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001266111211 1377189921 /nfs/dbraw/zinc/18/99/21/1377189921.db2.gz YDFBBVDJGFCOJO-MSOLQXFVSA-N 2 0 337.552 3.242 10 30 EGEERP C=CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(C(C)C)cc1 ZINC001267516156 1377450870 /nfs/dbraw/zinc/45/08/70/1377450870.db2.gz AFWACPSDISWDOB-FXAWDEMLSA-N 2 0 343.515 3.085 10 30 EGEERP C=CC[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1 ZINC001267521447 1377450909 /nfs/dbraw/zinc/45/09/09/1377450909.db2.gz YQXJNZQMVBBCEA-LJQANCHMSA-N 2 0 343.515 3.132 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001284067822 1379425950 /nfs/dbraw/zinc/42/59/50/1379425950.db2.gz CGMHLWJWNYAXEI-QWFCFKBJSA-N 2 0 335.536 3.022 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@]2(NC(=O)Cc3[nH]cnc3C)CCC[C@H]12 ZINC001284070924 1379432547 /nfs/dbraw/zinc/43/25/47/1379432547.db2.gz KUSPNLGWCBFOEW-ICSRJNTNSA-N 2 0 346.519 3.344 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001328068529 1388660143 /nfs/dbraw/zinc/66/01/43/1388660143.db2.gz RICMHYZUFVBJAX-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001328577627 1388779620 /nfs/dbraw/zinc/77/96/20/1388779620.db2.gz IRFVOORPSQQTMR-FQEVSTJZSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001317725865 1385425278 /nfs/dbraw/zinc/42/52/78/1385425278.db2.gz XSTSBEZZZLAIDY-VQTJNVASSA-N 2 0 343.515 3.273 10 30 EGEERP CCCCCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001317884586 1385562934 /nfs/dbraw/zinc/56/29/34/1385562934.db2.gz USGZSLOVKNRNGO-LJQANCHMSA-N 2 0 337.552 3.079 10 30 EGEERP CCCCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001319824162 1386319210 /nfs/dbraw/zinc/31/92/10/1386319210.db2.gz HDFVVMUMMMWZDD-RBUKOAKNSA-N 2 0 349.563 3.269 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001319833703 1386325578 /nfs/dbraw/zinc/32/55/78/1386325578.db2.gz SINKVUHYDXOKQD-PMACEKPBSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001329893094 1389248720 /nfs/dbraw/zinc/24/87/20/1389248720.db2.gz LHYUWDAMODSJRJ-APWZRJJASA-N 2 0 341.515 3.040 10 30 EGEERP C#CC[N@H+](CC1CC(F)(F)C1)C1CCN(CC2CC(F)(F)C2)CC1 ZINC001330722254 1389509366 /nfs/dbraw/zinc/50/93/66/1389509366.db2.gz WOKKNVFEVHMGGU-UHFFFAOYSA-N 2 0 346.412 3.477 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CC[NH+](CC)CC)c1ccccc1 ZINC001343748795 1390734666 /nfs/dbraw/zinc/73/46/66/1390734666.db2.gz QKHQBDXAGFFPTD-IRXDYDNUSA-N 2 0 337.895 3.046 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001479612485 1392287419 /nfs/dbraw/zinc/28/74/19/1392287419.db2.gz JRCNYLSKDYFLNL-YZGWKJHDSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001480301597 1392666599 /nfs/dbraw/zinc/66/65/99/1392666599.db2.gz XEFUAXWMNOYILF-QUCCMNQESA-N 2 0 343.515 3.084 10 30 EGEERP C=CCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001480403302 1392742094 /nfs/dbraw/zinc/74/20/94/1392742094.db2.gz RZDMLVZPDJUDKE-LMDPOFIKSA-N 2 0 347.547 3.234 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001480409528 1392745423 /nfs/dbraw/zinc/74/54/23/1392745423.db2.gz PGWVXLFTJJIDPY-UHFFFAOYSA-N 2 0 343.515 3.345 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480829937 1392969513 /nfs/dbraw/zinc/96/95/13/1392969513.db2.gz PXBXGCUGROQUNX-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001481339292 1393167321 /nfs/dbraw/zinc/16/73/21/1393167321.db2.gz HBKTUIUCHZBOMZ-KRWDZBQOSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001698930572 1406667177 /nfs/dbraw/zinc/66/71/77/1406667177.db2.gz CDZFGUPSAXKGAD-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH+]1CCC(N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001490410048 1394218370 /nfs/dbraw/zinc/21/83/70/1394218370.db2.gz WXGLUYXIXFUEHH-UHFFFAOYSA-N 2 0 349.544 3.312 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481461397 1394317415 /nfs/dbraw/zinc/31/74/15/1394317415.db2.gz BXDGFBQWGRWDBR-VQTJNVASSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001481516936 1394365153 /nfs/dbraw/zinc/36/51/53/1394365153.db2.gz RJJSZHFCTQCVBP-UHFFFAOYSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001491175079 1394459210 /nfs/dbraw/zinc/45/92/10/1394459210.db2.gz UBMFYHUPCDWTNS-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001482005454 1394665572 /nfs/dbraw/zinc/66/55/72/1394665572.db2.gz OVMCBLITCAMSKF-LJQANCHMSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001482051426 1394715075 /nfs/dbraw/zinc/71/50/75/1394715075.db2.gz AZGONCBAAMWONZ-LJQANCHMSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001482474281 1395028665 /nfs/dbraw/zinc/02/86/65/1395028665.db2.gz SMFYHRJYHNEEKO-ROUUACIJSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC001483907489 1395138700 /nfs/dbraw/zinc/13/87/00/1395138700.db2.gz BIIZURBYTLEEME-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH+]1CCC(C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001484139843 1395276558 /nfs/dbraw/zinc/27/65/58/1395276558.db2.gz CJAOTVLKPOBWPS-UHFFFAOYSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC001486235664 1396186172 /nfs/dbraw/zinc/18/61/72/1396186172.db2.gz DOGNAGVOMRKDJX-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001699008408 1406834299 /nfs/dbraw/zinc/83/42/99/1406834299.db2.gz IVNXSDPAHPLLNL-RBUKOAKNSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001689271046 1397004178 /nfs/dbraw/zinc/00/41/78/1397004178.db2.gz AZEDREODSIWGJP-LJQANCHMSA-N 2 0 347.547 3.189 10 30 EGEERP C=CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001690122726 1404316298 /nfs/dbraw/zinc/31/62/98/1404316298.db2.gz AJUXFZRJBBFILP-SFHVURJKSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[NH+]1CCC(N(CCC)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001690135084 1404332016 /nfs/dbraw/zinc/33/20/16/1404332016.db2.gz AVTURLJVCCGIHF-GOSISDBHSA-N 2 0 335.536 3.140 10 30 EGEERP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001691434871 1405267894 /nfs/dbraw/zinc/26/78/94/1405267894.db2.gz SKKGBEIMHHWTOF-MISYRCLQSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001691628734 1405366069 /nfs/dbraw/zinc/36/60/69/1405366069.db2.gz BHUYKKWLOPLXOM-UXHICEINSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001691818466 1405533222 /nfs/dbraw/zinc/53/32/22/1405533222.db2.gz CWVKVVFYKZUPAQ-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691874453 1405597870 /nfs/dbraw/zinc/59/78/70/1405597870.db2.gz ADVSHDSBQKXYDJ-GBESFXJTSA-N 2 0 347.547 3.092 10 30 EGEERP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691899268 1405621448 /nfs/dbraw/zinc/62/14/48/1405621448.db2.gz RBPBNJHAAOPTOP-HSALFYBXSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001691955578 1405673623 /nfs/dbraw/zinc/67/36/23/1405673623.db2.gz ZIWAUBDYIISGPB-FXAWDEMLSA-N 2 0 343.515 3.203 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001692121034 1405783587 /nfs/dbraw/zinc/78/35/87/1405783587.db2.gz MPOZYALWWIWZRY-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP 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 1405793830 /nfs/dbraw/zinc/79/38/30/1405793830.db2.gz BMCRUGKWUOZUID-QRQLOZEOSA-N 2 0 349.563 3.146 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001692276308 1405909985 /nfs/dbraw/zinc/90/99/85/1405909985.db2.gz YJTKNUXYIBQKQU-ROUUACIJSA-N 2 0 349.563 3.432 10 30 EGEERP C=CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C(C)C ZINC001732012912 1428227528 /nfs/dbraw/zinc/22/75/28/1428227528.db2.gz HYZVYWGTXBZDFL-LJQANCHMSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001732272849 1428508321 /nfs/dbraw/zinc/50/83/21/1428508321.db2.gz GDAZLHRCIPICBK-SFHVURJKSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001732302463 1428520109 /nfs/dbraw/zinc/52/01/09/1428520109.db2.gz YTPMIAACCRUZTO-WOJBJXKFSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCCC1 ZINC001732471681 1428600658 /nfs/dbraw/zinc/60/06/58/1428600658.db2.gz BBWGYHSIZQXBIS-SLFFLAALSA-N 2 0 349.563 3.338 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001732524503 1428643938 /nfs/dbraw/zinc/64/39/38/1428643938.db2.gz MXUFGBRHOPDSFW-RBUKOAKNSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001732528190 1428648356 /nfs/dbraw/zinc/64/83/56/1428648356.db2.gz NWBQOQWSFMNMOL-JKSUJKDBSA-N 2 0 349.544 3.216 10 30 EGEERP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001699875209 1413330125 /nfs/dbraw/zinc/33/01/25/1413330125.db2.gz SXTGDVQJDPWLEA-QUCCMNQESA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001732551124 1428734131 /nfs/dbraw/zinc/73/41/31/1428734131.db2.gz SDQSLBSSQAORMT-RTBURBONSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@H](C)[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001700437741 1414006236 /nfs/dbraw/zinc/00/62/36/1414006236.db2.gz PQRSOWAMXWGFAT-VIQWUECVSA-N 2 0 347.547 3.329 10 30 EGEERP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700524865 1414183799 /nfs/dbraw/zinc/18/37/99/1414183799.db2.gz MNHSSLYHCYVHSR-GOSISDBHSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001700919403 1414571615 /nfs/dbraw/zinc/57/16/15/1414571615.db2.gz WQNUHYJMJJMGSW-RTBURBONSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1(C)C 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C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001714141879 1418944506 /nfs/dbraw/zinc/94/45/06/1418944506.db2.gz JIVGCBRDDKOHBB-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001714316790 1419095120 /nfs/dbraw/zinc/09/51/20/1419095120.db2.gz CBWNWOCTJBRRAI-VAMGGRTRSA-N 2 0 349.563 3.480 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001714316789 1419095231 /nfs/dbraw/zinc/09/52/31/1419095231.db2.gz CBWNWOCTJBRRAI-UFYCRDLUSA-N 2 0 349.563 3.480 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001714330449 1419109856 /nfs/dbraw/zinc/10/98/56/1419109856.db2.gz LPBOGOCNIMSTRB-VQTJNVASSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001714413452 1419151682 /nfs/dbraw/zinc/15/16/82/1419151682.db2.gz XAAHWXNPWJPCIA-UXHICEINSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001714912515 1419660259 /nfs/dbraw/zinc/66/02/59/1419660259.db2.gz FVSRNBCBPSBSBY-HXUWFJFHSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1 ZINC001715095360 1419836110 /nfs/dbraw/zinc/83/61/10/1419836110.db2.gz RGWOSZUHZRZQHE-OKZBNKHCSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001715179253 1419914333 /nfs/dbraw/zinc/91/43/33/1419914333.db2.gz XUWPIBCLLQOUNG-LJQANCHMSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001715456544 1420137410 /nfs/dbraw/zinc/13/74/10/1420137410.db2.gz LRPAPDBUHGBBMW-DLBZAZTESA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001733268159 1429429216 /nfs/dbraw/zinc/42/92/16/1429429216.db2.gz HFCDBGLOOHXAMT-KOQQBVACSA-N 2 0 347.547 3.327 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001733270145 1429432716 /nfs/dbraw/zinc/43/27/16/1429432716.db2.gz WGIFZBNUZARLQW-WOJBJXKFSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001716516071 1420745692 /nfs/dbraw/zinc/74/56/92/1420745692.db2.gz MWRWJTPUWIUPHM-AZUAARDMSA-N 2 0 349.563 3.482 10 30 EGEERP C=CCC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001716714023 1420868419 /nfs/dbraw/zinc/86/84/19/1420868419.db2.gz WHEZHOJGGDUART-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C#CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](CCCCC)CC1 ZINC001716809243 1420936397 /nfs/dbraw/zinc/93/63/97/1420936397.db2.gz UVLDGDIWVBCJQD-UHFFFAOYSA-N 2 0 349.563 3.081 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001716819632 1420945566 /nfs/dbraw/zinc/94/55/66/1420945566.db2.gz DAIRHIDAOUKXTG-GOSISDBHSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001717200610 1421167824 /nfs/dbraw/zinc/16/78/24/1421167824.db2.gz JYQKIXXFAVLCBQ-WOJBJXKFSA-N 2 0 343.515 3.226 10 30 EGEERP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001717200609 1421167975 /nfs/dbraw/zinc/16/79/75/1421167975.db2.gz JYQKIXXFAVLCBQ-VQTJNVASSA-N 2 0 343.515 3.226 10 30 EGEERP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001717200608 1421168087 /nfs/dbraw/zinc/16/80/87/1421168087.db2.gz JYQKIXXFAVLCBQ-UXHICEINSA-N 2 0 343.515 3.226 10 30 EGEERP C=CCC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001717448591 1421378452 /nfs/dbraw/zinc/37/84/52/1421378452.db2.gz QJFLHIXYTHYFKJ-UHFFFAOYSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001717560977 1421496919 /nfs/dbraw/zinc/49/69/19/1421496919.db2.gz YDMGTKMZXYVMTH-PXNSSMCTSA-N 2 0 343.515 3.082 10 30 EGEERP C=CC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001717984241 1421756743 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RVALZOVGNLTSJY-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001733539351 1429745024 /nfs/dbraw/zinc/74/50/24/1429745024.db2.gz XHAVFBGPYDATMA-OALUTQOASA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001724322691 1424809985 /nfs/dbraw/zinc/80/99/85/1424809985.db2.gz GTMULONIEZQDHE-HXUWFJFHSA-N 2 0 340.471 3.051 10 30 EGEERP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001724325078 1424813617 /nfs/dbraw/zinc/81/36/17/1424813617.db2.gz UZOFVPGWMJPIHL-TZIWHRDSSA-N 2 0 349.563 3.291 10 30 EGEERP CCCCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001724535863 1424898960 /nfs/dbraw/zinc/89/89/60/1424898960.db2.gz NFZJLJVFMATRAT-RTBURBONSA-N 2 0 349.563 3.412 10 30 EGEERP 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 ZINC001724600248 1424930943 /nfs/dbraw/zinc/93/09/43/1424930943.db2.gz NRUYXNSAJQUSDO-YRPNKDGESA-N 2 0 347.547 3.042 10 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C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001731415173 1427385297 /nfs/dbraw/zinc/38/52/97/1427385297.db2.gz GZVRTESHVOJEJD-IBGZPJMESA-N 2 0 349.563 3.245 10 30 EGEERP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731535746 1427532156 /nfs/dbraw/zinc/53/21/56/1427532156.db2.gz JGCJJQZQIDBHLC-GOSISDBHSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001731562192 1427599948 /nfs/dbraw/zinc/59/99/48/1427599948.db2.gz XPCZUKUZTQSEGO-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001731659913 1427712743 /nfs/dbraw/zinc/71/27/43/1427712743.db2.gz MPYPOLUORBMJQS-OALUTQOASA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001733760354 1429974072 /nfs/dbraw/zinc/97/40/72/1429974072.db2.gz KGIYZJFIUPXVMX-OALUTQOASA-N 2 0 347.547 3.188 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001733762621 1429979098 /nfs/dbraw/zinc/97/90/98/1429979098.db2.gz BURQGNOFVGNBAN-OALUTQOASA-N 2 0 337.552 3.269 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001734010412 1437801971 /nfs/dbraw/zinc/80/19/71/1437801971.db2.gz AMIADCDMDOYUKH-CTWPCTMYSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001734024665 1437812639 /nfs/dbraw/zinc/81/26/39/1437812639.db2.gz ZERDJVXAZXDYTE-UHFFFAOYSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001734088970 1437873969 /nfs/dbraw/zinc/87/39/69/1437873969.db2.gz SZRYFGJSFWFTQL-IEBWSBKVSA-N 2 0 347.547 3.092 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001734438248 1438101067 /nfs/dbraw/zinc/10/10/67/1438101067.db2.gz GABRGRFOKQYWEK-QKNQBKEWSA-N 2 0 349.563 3.412 10 30 EGEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001734613135 1438187269 /nfs/dbraw/zinc/18/72/69/1438187269.db2.gz PBGRRBLSCGPXQU-MJGOQNOKSA-N 2 0 335.536 3.044 10 30 EGEERP N#CC1(C[C@H](O)C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000600721431 460578801 /nfs/dbraw/zinc/57/88/01/460578801.db2.gz MGVWXLYJJPMEFX-FQEVSTJZSA-N 2 0 341.499 3.207 10 30 EGEERP C=CCc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc(OC)c1O ZINC000134204915 454516205 /nfs/dbraw/zinc/51/62/05/454516205.db2.gz ICOBPARZXUTOCX-UHFFFAOYSA-N 2 0 344.499 3.437 10 30 EGEERP C=CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000237504354 455189990 /nfs/dbraw/zinc/18/99/90/455189990.db2.gz CQPITVPHFWJPTJ-QZTJIDSGSA-N 2 0 332.488 3.230 10 30 EGEERP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(C4(C#N)CC4)cc3)c2)CC1 ZINC000601069341 460698663 /nfs/dbraw/zinc/69/86/63/460698663.db2.gz UCPFFQUVNHYDKZ-UHFFFAOYSA-N 2 0 347.466 3.001 10 30 EGEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)C(C)C ZINC000416000358 458336186 /nfs/dbraw/zinc/33/61/86/458336186.db2.gz XJFYBVZJDHRWDV-IBGZPJMESA-N 2 0 342.487 3.110 10 30 EGEERP C[C@H]1C[C@@H](CC[NH2+]Cc2nc(C#N)cs2)C[N@@H+]1Cc1ccccc1 ZINC000557537164 459081728 /nfs/dbraw/zinc/08/17/28/459081728.db2.gz IJORXDNVTKRBMA-DOTOQJQBSA-N 2 0 340.496 3.405 10 30 EGEERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000595047676 459228482 /nfs/dbraw/zinc/22/84/82/459228482.db2.gz DZTLIPHPHGJSQE-OAHLLOKOSA-N 2 0 345.462 3.239 10 30 EGEERP COc1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)ccc1C#N ZINC000592376388 459584633 /nfs/dbraw/zinc/58/46/33/459584633.db2.gz IVPOYLWMZRWBNL-UXHICEINSA-N 2 0 335.451 3.002 10 30 EGEERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599372862 460241765 /nfs/dbraw/zinc/24/17/65/460241765.db2.gz NZOBLUKVVHTQKU-YLJYHZDGSA-N 2 0 329.488 3.093 10 30 EGEERP C=CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000651727895 462316848 /nfs/dbraw/zinc/31/68/48/462316848.db2.gz DJZGTCXBFMISAZ-PXNSSMCTSA-N 2 0 328.500 3.478 10 30 EGEERP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658142006 462405142 /nfs/dbraw/zinc/40/51/42/462405142.db2.gz YDSOOHPQZGCEGM-QHAWAJNXSA-N 2 0 328.500 3.478 10 30 EGEERP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000925886631 1325343552 /nfs/dbraw/zinc/34/35/52/1325343552.db2.gz JKDGKXNTSBUBAM-BSIFCXSSSA-N 2 0 335.451 3.299 10 30 EGEERP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000865547346 1329712149 /nfs/dbraw/zinc/71/21/49/1329712149.db2.gz BYLFHSYHJYNJCC-HXUWFJFHSA-N 2 0 348.494 3.236 10 30 EGEERP C[NH+](C)C1(C)CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000865765231 1329736579 /nfs/dbraw/zinc/73/65/79/1329736579.db2.gz LWHGDJPNNCKPAK-UHFFFAOYSA-N 2 0 340.515 3.380 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075956 1331322731 /nfs/dbraw/zinc/32/27/31/1331322731.db2.gz RMIZAJFHXZNISD-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1CC ZINC001323147570 1387302595 /nfs/dbraw/zinc/30/25/95/1387302595.db2.gz GPZKYSLODCWSRU-QFBILLFUSA-N 2 0 340.471 3.049 10 30 EGEERP C=CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001323720996 1387429724 /nfs/dbraw/zinc/42/97/24/1387429724.db2.gz ATDGAZWLXPNZHY-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CCCCCC1 ZINC001323721383 1387431168 /nfs/dbraw/zinc/43/11/68/1387431168.db2.gz FYGNWVYIFMGVIE-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001324286889 1387582246 /nfs/dbraw/zinc/58/22/46/1387582246.db2.gz VICAFUQGMHDBNC-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001324505125 1387654761 /nfs/dbraw/zinc/65/47/61/1387654761.db2.gz HDEHXWQRMWSIRL-AZUAARDMSA-N 2 0 349.563 3.482 10 30 EGEERP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001324870516 1387798258 /nfs/dbraw/zinc/79/82/58/1387798258.db2.gz YUCJDDOSAZCDSQ-LJQANCHMSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001324903524 1387811911 /nfs/dbraw/zinc/81/19/11/1387811911.db2.gz ABMFZAOEHLZTSG-UHFFFAOYSA-N 2 0 335.536 3.047 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001265736321 1377164435 /nfs/dbraw/zinc/16/44/35/1377164435.db2.gz PQBKPLZDNYJREU-LMDPOFIKSA-N 2 0 347.547 3.234 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001266251836 1377248356 /nfs/dbraw/zinc/24/83/56/1377248356.db2.gz HIMLCISSXXNDRD-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001327309958 1388495126 /nfs/dbraw/zinc/49/51/26/1388495126.db2.gz ZWWAQIPTXJZKHZ-WOJBJXKFSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001268045126 1377483818 /nfs/dbraw/zinc/48/38/18/1377483818.db2.gz RPWMNUGOPVZPDF-MOPGFXCFSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001327478701 1388530675 /nfs/dbraw/zinc/53/06/75/1388530675.db2.gz LWRXFTUCYNPAHR-RBUKOAKNSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001281683192 1378449081 /nfs/dbraw/zinc/44/90/81/1378449081.db2.gz NDFDGPBRMWUDPJ-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001284127822 1379503008 /nfs/dbraw/zinc/50/30/08/1379503008.db2.gz FQYAKYRMAFXENB-FUHWJXTLSA-N 2 0 335.536 3.185 10 30 EGEERP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001328101022 1388671955 /nfs/dbraw/zinc/67/19/55/1388671955.db2.gz DHEHQPKJIYBXFN-KRWDZBQOSA-N 2 0 337.552 3.147 10 30 EGEERP C=C(C)COc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1OC ZINC001308552762 1384132410 /nfs/dbraw/zinc/13/24/10/1384132410.db2.gz GGTZBDUTPRTVQF-OKZBNKHCSA-N 2 0 330.472 3.080 10 30 EGEERP C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001308555926 1384132902 /nfs/dbraw/zinc/13/29/02/1384132902.db2.gz VOTNYEXJWWESTH-UXHICEINSA-N 2 0 327.516 3.315 10 30 EGEERP C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001308555928 1384133220 /nfs/dbraw/zinc/13/32/20/1384133220.db2.gz VOTNYEXJWWESTH-WOJBJXKFSA-N 2 0 327.516 3.315 10 30 EGEERP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001317678136 1385385892 /nfs/dbraw/zinc/38/58/92/1385385892.db2.gz VPTHFMJCMKNZCG-UYAOXDASSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001319352371 1386075189 /nfs/dbraw/zinc/07/51/89/1386075189.db2.gz SWQOXWVURFWUEK-GOSISDBHSA-N 2 0 347.547 3.236 10 30 EGEERP C=CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001698627813 1406270233 /nfs/dbraw/zinc/27/02/33/1406270233.db2.gz WEHFVBOXTJHOGL-SFHVURJKSA-N 2 0 347.547 3.236 10 30 EGEERP C=CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001329239903 1389031013 /nfs/dbraw/zinc/03/10/13/1389031013.db2.gz BFYXOGPAOFPTBB-UHFFFAOYSA-N 2 0 335.536 3.185 10 30 EGEERP C#CCC[NH2+]C1CCC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001329240920 1389032253 /nfs/dbraw/zinc/03/22/53/1389032253.db2.gz NRJMRRHYINYTDV-UHFFFAOYSA-N 2 0 347.547 3.024 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001332140195 1390003809 /nfs/dbraw/zinc/00/38/09/1390003809.db2.gz NCZIPPDGALCRJX-GBESFXJTSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001332140197 1390003943 /nfs/dbraw/zinc/00/39/43/1390003943.db2.gz NCZIPPDGALCRJX-IPMKNSEASA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001332960532 1390225039 /nfs/dbraw/zinc/22/50/39/1390225039.db2.gz VNKLJPGPYBPQCJ-QGZVFWFLSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001698800559 1406475430 /nfs/dbraw/zinc/47/54/30/1406475430.db2.gz MEJKMBZNESIILZ-BZSNNMDCSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001479996512 1392528025 /nfs/dbraw/zinc/52/80/25/1392528025.db2.gz KYQIZWJXBOIUCK-NRFANRHFSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480087580 1392577213 /nfs/dbraw/zinc/57/72/13/1392577213.db2.gz OJFJPISAGGISEV-VQTJNVASSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001480301593 1392666896 /nfs/dbraw/zinc/66/68/96/1392666896.db2.gz XEFUAXWMNOYILF-AZUAARDMSA-N 2 0 343.515 3.084 10 30 EGEERP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001480403303 1392741898 /nfs/dbraw/zinc/74/18/98/1392741898.db2.gz RZDMLVZPDJUDKE-VIQWUECVSA-N 2 0 347.547 3.234 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001481335208 1393165970 /nfs/dbraw/zinc/16/59/70/1393165970.db2.gz SASFKBWSXDIDSB-HKUYNNGSSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001698930570 1406667142 /nfs/dbraw/zinc/66/71/42/1406667142.db2.gz CDZFGUPSAXKGAD-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001481490594 1394335747 /nfs/dbraw/zinc/33/57/47/1394335747.db2.gz HSVTZQPJUMOUMH-KRWDZBQOSA-N 2 0 340.471 3.003 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001481529590 1394384624 /nfs/dbraw/zinc/38/46/24/1394384624.db2.gz KAZOXKACTATWTI-QUCCMNQESA-N 2 0 335.536 3.023 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001491192156 1394465703 /nfs/dbraw/zinc/46/57/03/1394465703.db2.gz ZZXXOCSDEDRJTK-UXHICEINSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001482042414 1394703691 /nfs/dbraw/zinc/70/36/91/1394703691.db2.gz JUDWNLRERPQQGK-UHFFFAOYSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001482434753 1394995824 /nfs/dbraw/zinc/99/58/24/1394995824.db2.gz YJSGBEIYIQLJGW-PMACEKPBSA-N 2 0 349.563 3.291 10 30 EGEERP C=CC[N@@H+](CC)CC1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001485030852 1395645371 /nfs/dbraw/zinc/64/53/71/1395645371.db2.gz LTGODGQXOWMRTI-UHFFFAOYSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC001485570329 1396036427 /nfs/dbraw/zinc/03/64/27/1396036427.db2.gz RBEHIGFTOGIUIM-RBUKOAKNSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001502725435 1396221278 /nfs/dbraw/zinc/22/12/78/1396221278.db2.gz VULZONSBIUMIHX-OALUTQOASA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001494842884 1396499570 /nfs/dbraw/zinc/49/95/70/1396499570.db2.gz VCWLVAZOEKPXLI-WOJBJXKFSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001496350577 1396660821 /nfs/dbraw/zinc/66/08/21/1396660821.db2.gz KEUUBENRAPRUMC-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001690122725 1404315996 /nfs/dbraw/zinc/31/59/96/1404315996.db2.gz AJUXFZRJBBFILP-GOSISDBHSA-N 2 0 347.547 3.188 10 30 EGEERP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001690128778 1404323171 /nfs/dbraw/zinc/32/31/71/1404323171.db2.gz TUXNOFPSPYTPRR-RTBURBONSA-N 2 0 349.563 3.269 10 30 EGEERP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001690459938 1404590979 /nfs/dbraw/zinc/59/09/79/1404590979.db2.gz WAYBRDXENUKOOJ-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001691163368 1405099290 /nfs/dbraw/zinc/09/92/90/1405099290.db2.gz UVVNHCQSLNTQPQ-HKUYNNGSSA-N 2 0 343.515 3.155 10 30 EGEERP CCCCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001691378936 1405219855 /nfs/dbraw/zinc/21/98/55/1405219855.db2.gz VBFJLPCAPXGERZ-MOPGFXCFSA-N 2 0 349.563 3.269 10 30 EGEERP C=CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001732081963 1428337505 /nfs/dbraw/zinc/33/75/05/1428337505.db2.gz KPBPTQHREQOPCA-FQEVSTJZSA-N 2 0 343.515 3.006 10 30 EGEERP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001732323459 1428532533 /nfs/dbraw/zinc/53/25/33/1428532533.db2.gz QLIKBZAOGDIBRA-HXUWFJFHSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001699769965 1413175321 /nfs/dbraw/zinc/17/53/21/1413175321.db2.gz CFZZKIMZRYDQPF-ROUUACIJSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001699797793 1413207263 /nfs/dbraw/zinc/20/72/63/1413207263.db2.gz ZLUMHGKPVGNVCM-MJGOQNOKSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC001699801660 1413213032 /nfs/dbraw/zinc/21/30/32/1413213032.db2.gz QIZAGVUBOHZUEF-HXUWFJFHSA-N 2 0 343.515 3.203 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001732547734 1428725589 /nfs/dbraw/zinc/72/55/89/1428725589.db2.gz ZZJXDMYONAVYEA-FXAWDEMLSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCCCCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001700575413 1414249231 /nfs/dbraw/zinc/24/92/31/1414249231.db2.gz XFUFJWAIPWBKKJ-FHWLQOOXSA-N 2 0 349.563 3.290 10 30 EGEERP CCCCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001701054697 1414710948 /nfs/dbraw/zinc/71/09/48/1414710948.db2.gz YKDBOGKSHJSJJC-IBGZPJMESA-N 2 0 335.536 3.189 10 30 EGEERP C=CCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001712999936 1417552920 /nfs/dbraw/zinc/55/29/20/1417552920.db2.gz PDXDUKOISRJDOM-ZWKOTPCHSA-N 2 0 337.552 3.290 10 30 EGEERP CCCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713251478 1417842781 /nfs/dbraw/zinc/84/27/81/1417842781.db2.gz IUVBOCBJNVIWDN-CEXWTWQISA-N 2 0 337.552 3.268 10 30 EGEERP C=CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713252309 1417844996 /nfs/dbraw/zinc/84/49/96/1417844996.db2.gz WCIIBPZQKWUVFA-VQTJNVASSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C(C)C ZINC001713693011 1418446591 /nfs/dbraw/zinc/44/65/91/1418446591.db2.gz VPSSUUBXPWIASV-KRWDZBQOSA-N 2 0 343.943 3.219 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001713718553 1418486707 /nfs/dbraw/zinc/48/67/07/1418486707.db2.gz JHJYDASNAJBIAC-WOJBJXKFSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001714081702 1418875743 /nfs/dbraw/zinc/87/57/43/1418875743.db2.gz WUZXRUQTVOCSLW-ICSRJNTNSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001714153640 1418961002 /nfs/dbraw/zinc/96/10/02/1418961002.db2.gz KGPCIBALACXPDQ-QZTJIDSGSA-N 2 0 337.552 3.147 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001714291322 1419070166 /nfs/dbraw/zinc/07/01/66/1419070166.db2.gz QWZSMRJTPHOLGX-HDICACEKSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001714400613 1419143785 /nfs/dbraw/zinc/14/37/85/1419143785.db2.gz BOYAZZZVOMMFKZ-DLBZAZTESA-N 2 0 349.544 3.407 10 30 EGEERP CCCCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001714410152 1419149987 /nfs/dbraw/zinc/14/99/87/1419149987.db2.gz CRWBIEGWJFQROE-ZWKOTPCHSA-N 2 0 335.536 3.070 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001715031926 1419764324 /nfs/dbraw/zinc/76/43/24/1419764324.db2.gz VFNMAYCUBYFPBM-RTBURBONSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001715037636 1419773043 /nfs/dbraw/zinc/77/30/43/1419773043.db2.gz DRHANOVHQDHCAC-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001715455284 1420136901 /nfs/dbraw/zinc/13/69/01/1420136901.db2.gz IZASQCIBGBGLBI-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716062393 1420522532 /nfs/dbraw/zinc/52/25/32/1420522532.db2.gz UUMWFIBCFYQABY-QZTJIDSGSA-N 2 0 335.536 3.092 10 30 EGEERP C=CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)C1CCCCCC1 ZINC001716714384 1420868865 /nfs/dbraw/zinc/86/88/65/1420868865.db2.gz IUFCNUVRCXRVEY-LJQANCHMSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001716763190 1420909780 /nfs/dbraw/zinc/90/97/80/1420909780.db2.gz CQQZCIBPZMMRSH-ZWKOTPCHSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001717034897 1421088659 /nfs/dbraw/zinc/08/86/59/1421088659.db2.gz CUCHBQWUEBRFKN-VAMGGRTRSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001717200607 1421167960 /nfs/dbraw/zinc/16/79/60/1421167960.db2.gz JYQKIXXFAVLCBQ-PMACEKPBSA-N 2 0 343.515 3.226 10 30 EGEERP C=CCCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001717377340 1421319450 /nfs/dbraw/zinc/31/94/50/1421319450.db2.gz JHRSECUGYGCLMY-FQEVSTJZSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001733293757 1429474837 /nfs/dbraw/zinc/47/48/37/1429474837.db2.gz VEVXHBVTDYPODX-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001717586445 1421514405 /nfs/dbraw/zinc/51/44/05/1421514405.db2.gz LOYYTCPWQICIMY-LJQANCHMSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001717874216 1421681790 /nfs/dbraw/zinc/68/17/90/1421681790.db2.gz ADBCQDJJBPXAKW-IAGOWNOFSA-N 2 0 340.471 3.097 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001718022837 1421777751 /nfs/dbraw/zinc/77/77/51/1421777751.db2.gz KIKKVBODWDAELI-ICSRJNTNSA-N 2 0 347.547 3.210 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1CC ZINC001723383775 1424379724 /nfs/dbraw/zinc/37/97/24/1424379724.db2.gz DZDIZSFCYGKAFM-PMACEKPBSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1CC ZINC001723383785 1424379836 /nfs/dbraw/zinc/37/98/36/1424379836.db2.gz DZDIZSFCYGKAFM-WOJBJXKFSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001723691071 1424532584 /nfs/dbraw/zinc/53/25/84/1424532584.db2.gz MNOFRKGDOMEJOP-PZJWPPBQSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001723859383 1424588257 /nfs/dbraw/zinc/58/82/57/1424588257.db2.gz GJSCNFYDJMTCPW-UXHICEINSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001724508391 1424884614 /nfs/dbraw/zinc/88/46/14/1424884614.db2.gz MPWNJBYHNXLAKK-UYAOXDASSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001724508389 1424884988 /nfs/dbraw/zinc/88/49/88/1424884988.db2.gz MPWNJBYHNXLAKK-ICSRJNTNSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001724530224 1424895484 /nfs/dbraw/zinc/89/54/84/1424895484.db2.gz GZOPTGXLAPBCNE-CVEARBPZSA-N 2 0 349.544 3.216 10 30 EGEERP CCCCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001724535862 1424898893 /nfs/dbraw/zinc/89/88/93/1424898893.db2.gz NFZJLJVFMATRAT-RBUKOAKNSA-N 2 0 349.563 3.412 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001725130061 1425598609 /nfs/dbraw/zinc/59/86/09/1425598609.db2.gz HKYQCQJIIBNANC-WZOJCFFYSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)C[NH2+]C1CCC(N(C)C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001725136475 1425611823 /nfs/dbraw/zinc/61/18/23/1425611823.db2.gz HGTBMKNBBBFPIR-UHFFFAOYSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001725255433 1425879015 /nfs/dbraw/zinc/87/90/15/1425879015.db2.gz LGNUOYIMRBEEOX-GJZGRUSLSA-N 2 0 340.471 3.048 10 30 EGEERP C=CCC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001725611214 1426269912 /nfs/dbraw/zinc/26/99/12/1426269912.db2.gz WQXFRWZRMYLIPW-WIYYLYMNSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001731291735 1427233941 /nfs/dbraw/zinc/23/39/41/1427233941.db2.gz GLQUASLCRMMFSN-FXAWDEMLSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001733604717 1429814656 /nfs/dbraw/zinc/81/46/56/1429814656.db2.gz YNGQZNHHFQAGHJ-GUDVDZBRSA-N 2 0 335.536 3.138 10 30 EGEERP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001733682950 1429896575 /nfs/dbraw/zinc/89/65/75/1429896575.db2.gz NMSKVIXRJYRDRU-YLJYHZDGSA-N 2 0 343.515 3.260 10 30 EGEERP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001733814582 1430095866 /nfs/dbraw/zinc/09/58/66/1430095866.db2.gz RKNNCKZUZOKEIH-TZIWHRDSSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001734104504 1437890265 /nfs/dbraw/zinc/89/02/65/1437890265.db2.gz VXMLESLLKXEFFE-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001734153632 1437921087 /nfs/dbraw/zinc/92/10/87/1437921087.db2.gz JEZACPJPFKDUSQ-OALUTQOASA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[N@@H+](C)C1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001734273687 1438006505 /nfs/dbraw/zinc/00/65/05/1438006505.db2.gz ZFEDNNGGOQVDKJ-UHFFFAOYSA-N 2 0 347.503 3.234 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001734449533 1438108947 /nfs/dbraw/zinc/10/89/47/1438108947.db2.gz LLZUCJJZXSNOQS-SLFFLAALSA-N 2 0 347.547 3.045 10 30 EGEERP N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000600727687 460582494 /nfs/dbraw/zinc/58/24/94/460582494.db2.gz QDWRJRYPGGGHJN-FQEVSTJZSA-N 2 0 341.499 3.207 10 30 EGEERP C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000151143989 454943610 /nfs/dbraw/zinc/94/36/10/454943610.db2.gz FBPMGYYTBMCDFW-HNNXBMFYSA-N 2 0 341.430 3.489 10 30 EGEERP CCOCCC[N@@H+]1CC[C@@H](NCC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000469770363 458589819 /nfs/dbraw/zinc/58/98/19/458589819.db2.gz UOEMWDLNSJEMLS-YLJYHZDGSA-N 2 0 348.918 3.418 10 30 EGEERP C[C@@H]1C[C@@H](CC[NH2+]Cc2nc(C#N)cs2)C[N@@H+]1Cc1ccccc1 ZINC000557537168 459081862 /nfs/dbraw/zinc/08/18/62/459081862.db2.gz IJORXDNVTKRBMA-NVXWUHKLSA-N 2 0 340.496 3.405 10 30 EGEERP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594949608 459188575 /nfs/dbraw/zinc/18/85/75/459188575.db2.gz GEYWPNAJHHFRJE-FQEVSTJZSA-N 2 0 329.407 3.306 10 30 EGEERP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(C#N)cc1 ZINC000595051978 459229066 /nfs/dbraw/zinc/22/90/66/459229066.db2.gz ZKJXVSCLDOOVMV-NRFANRHFSA-N 2 0 341.499 3.490 10 30 EGEERP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610993951 460275394 /nfs/dbraw/zinc/27/53/94/460275394.db2.gz IQUHNSIFOVHKJT-KRWDZBQOSA-N 2 0 326.488 3.430 10 30 EGEERP COc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000708525904 1298239862 /nfs/dbraw/zinc/23/98/62/1298239862.db2.gz CNWMHUWGIYRHAB-LAUBAEHRSA-N 2 0 349.478 3.425 10 30 EGEERP C#C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000895332894 1309286302 /nfs/dbraw/zinc/28/63/02/1309286302.db2.gz QVXGYHDNGNWCKU-JKLQHZFJSA-N 2 0 338.495 3.058 10 30 EGEERP COCC[N@H+](C)CCCC1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000930144594 1328798379 /nfs/dbraw/zinc/79/83/79/1328798379.db2.gz FNKGJKFXNFLYEN-UHFFFAOYSA-N 2 0 335.536 3.387 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940747218 1331177671 /nfs/dbraw/zinc/17/76/71/1331177671.db2.gz IKWBLLHGSJSWKL-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC1 ZINC001323830861 1387468425 /nfs/dbraw/zinc/46/84/25/1387468425.db2.gz DIFKRZCCZUKJSG-UHFFFAOYSA-N 2 0 349.563 3.245 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001323860742 1387482105 /nfs/dbraw/zinc/48/21/05/1387482105.db2.gz VBMKXFHJISYMAL-NRFANRHFSA-N 2 0 349.563 3.223 10 30 EGEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001324505287 1387654988 /nfs/dbraw/zinc/65/49/88/1387654988.db2.gz IUGWNTCWFICOLQ-RTBURBONSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001324891855 1387807651 /nfs/dbraw/zinc/80/76/51/1387807651.db2.gz FBJPZGTUZKBTEW-SJORKVTESA-N 2 0 346.519 3.161 10 30 EGEERP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001325920213 1388084615 /nfs/dbraw/zinc/08/46/15/1388084615.db2.gz KQTCLUDZTMIZLI-VAMGGRTRSA-N 2 0 347.547 3.281 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001266111212 1377189702 /nfs/dbraw/zinc/18/97/02/1377189702.db2.gz YDFBBVDJGFCOJO-QZTJIDSGSA-N 2 0 337.552 3.242 10 30 EGEERP C=C(C)C[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001327299955 1388491874 /nfs/dbraw/zinc/49/18/74/1388491874.db2.gz RMBMRNPFYKZDLZ-WOJBJXKFSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001283906501 1379252826 /nfs/dbraw/zinc/25/28/26/1379252826.db2.gz PAFCALWUDMJDFD-IEBWSBKVSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001328050589 1388654658 /nfs/dbraw/zinc/65/46/58/1388654658.db2.gz OSNAGNUHADNHJB-UHFFFAOYSA-N 2 0 347.503 3.282 10 30 EGEERP C=CCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001328747517 1388838523 /nfs/dbraw/zinc/83/85/23/1388838523.db2.gz BGUPXPLSOUDHSZ-LJQANCHMSA-N 2 0 347.547 3.284 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001317106028 1384870609 /nfs/dbraw/zinc/87/06/09/1384870609.db2.gz QCOVSRDAIDPKJK-OALUTQOASA-N 2 0 337.552 3.221 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317139682 1384906482 /nfs/dbraw/zinc/90/64/82/1384906482.db2.gz KKVKFBXEXJHGCA-ROUUACIJSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001317209935 1384989372 /nfs/dbraw/zinc/98/93/72/1384989372.db2.gz VONSYADEQGNREK-OALUTQOASA-N 2 0 349.563 3.386 10 30 EGEERP C=CC1CC[NH+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CC1 ZINC001179864647 1386611388 /nfs/dbraw/zinc/61/13/88/1386611388.db2.gz YCVMWQXBBIWRPF-UHFFFAOYSA-N 2 0 338.398 3.468 10 30 EGEERP Cc1nccn1-c1cc[nH+]cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC001320683082 1386690596 /nfs/dbraw/zinc/69/05/96/1386690596.db2.gz BCFBJKKZTLYYRF-UHFFFAOYSA-N 2 0 343.390 3.383 10 30 EGEERP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001698683332 1406330496 /nfs/dbraw/zinc/33/04/96/1406330496.db2.gz OCNXTRJSOUKNBL-UXHICEINSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001698711520 1406353804 /nfs/dbraw/zinc/35/38/04/1406353804.db2.gz JVVUBXXVVCQUCX-GUDVDZBRSA-N 2 0 335.536 3.234 10 30 EGEERP 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C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001480267133 1392651111 /nfs/dbraw/zinc/65/11/11/1392651111.db2.gz GTNZICFJWNYPFL-UYAOXDASSA-N 2 0 343.515 3.084 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001698871812 1406592098 /nfs/dbraw/zinc/59/20/98/1406592098.db2.gz OZPMRYDCOQNMET-QUCCMNQESA-N 2 0 349.563 3.480 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001480702393 1392865944 /nfs/dbraw/zinc/86/59/44/1392865944.db2.gz RELMHNJWSCHXCR-RTBURBONSA-N 2 0 337.552 3.316 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001481335410 1393166276 /nfs/dbraw/zinc/16/62/76/1393166276.db2.gz CANARIDDKAFQKW-QZTJIDSGSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001698938434 1406678335 /nfs/dbraw/zinc/67/83/35/1406678335.db2.gz NBNZBNYCSQKHKI-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC 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/nfs/dbraw/zinc/03/08/79/1396030879.db2.gz CSSCAOVZUHEMRS-MSOLQXFVSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC001486235667 1396186240 /nfs/dbraw/zinc/18/62/40/1396186240.db2.gz DOGNAGVOMRKDJX-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001502947656 1396234499 /nfs/dbraw/zinc/23/44/99/1396234499.db2.gz FPOUQJDLACOBAE-RTBURBONSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001495938350 1396573216 /nfs/dbraw/zinc/57/32/16/1396573216.db2.gz COZRYUOWDCKCDB-GOSISDBHSA-N 2 0 335.536 3.093 10 30 EGEERP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001690125988 1404318671 /nfs/dbraw/zinc/31/86/71/1404318671.db2.gz KPEAZGYFHJRWLH-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001690130521 1404325624 /nfs/dbraw/zinc/32/56/24/1404325624.db2.gz FPXSVCQYTWTLLA-LJQANCHMSA-N 2 0 347.547 3.189 10 30 EGEERP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001690190802 1404392595 /nfs/dbraw/zinc/39/25/95/1404392595.db2.gz FQFGLLTYZYBGSW-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001690504165 1404616304 /nfs/dbraw/zinc/61/63/04/1404616304.db2.gz AHSYBFWWMRPDNI-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001690902346 1404810132 /nfs/dbraw/zinc/81/01/32/1404810132.db2.gz SUZLOVUXOFELFQ-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001691620615 1405361582 /nfs/dbraw/zinc/36/15/82/1405361582.db2.gz MIRBSJZZPWXVAR-ZWKOTPCHSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001691671639 1405406378 /nfs/dbraw/zinc/40/63/78/1405406378.db2.gz KVJAMDHPSDQBAF-UYAOXDASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001692021347 1405739011 /nfs/dbraw/zinc/73/90/11/1405739011.db2.gz YSTBSGNMGLTDBR-BJLQDIEVSA-N 2 0 349.563 3.242 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CCCC1 ZINC001699789046 1413195193 /nfs/dbraw/zinc/19/51/93/1413195193.db2.gz ISQLMMBGQVBQPF-SFHVURJKSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001700183443 1413599572 /nfs/dbraw/zinc/59/95/72/1413599572.db2.gz DUNAOIJOIILIAA-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001700621212 1414290581 /nfs/dbraw/zinc/29/05/81/1414290581.db2.gz NJZRKHWNWFRVSQ-IBGZPJMESA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001707107555 1417204194 /nfs/dbraw/zinc/20/41/94/1417204194.db2.gz IEZWYTSUNFEOHN-CEXWTWQISA-N 2 0 349.563 3.480 10 30 EGEERP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001707175629 1417229497 /nfs/dbraw/zinc/22/94/97/1417229497.db2.gz ZCWITEKHULUTMN-VAMGGRTRSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001707185796 1417235099 /nfs/dbraw/zinc/23/50/99/1417235099.db2.gz LIWLFVGVHBRBTC-HOJAQTOUSA-N 2 0 347.547 3.042 10 30 EGEERP C=C(C)C[NH+]1CCC(N(CCC)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001713100902 1417653598 /nfs/dbraw/zinc/65/35/98/1417653598.db2.gz IXTGEXHDJUFRSC-SFHVURJKSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001713702312 1418460096 /nfs/dbraw/zinc/46/00/96/1418460096.db2.gz UAXDNARCASHAKT-YSIASYRMSA-N 2 0 343.515 3.130 10 30 EGEERP C=CCC[NH+]1CC[C@H](CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713730386 1418516146 /nfs/dbraw/zinc/51/61/46/1418516146.db2.gz OEVUGQKUNXPNRK-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001713851638 1418648104 /nfs/dbraw/zinc/64/81/04/1418648104.db2.gz WMRXZRNQMGWQJX-MSOLQXFVSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001714043890 1418835729 /nfs/dbraw/zinc/83/57/29/1418835729.db2.gz DJPSOKHMEODMMD-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001733201836 1429306400 /nfs/dbraw/zinc/30/64/00/1429306400.db2.gz QNEMYXMXSQNWBW-ROUUACIJSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001714452629 1419185409 /nfs/dbraw/zinc/18/54/09/1419185409.db2.gz CELVOCCADADISZ-MOPGFXCFSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001715045392 1419785541 /nfs/dbraw/zinc/78/55/41/1419785541.db2.gz OGLZYIBAMAHMIS-OALUTQOASA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCCC1 ZINC001715400891 1420099935 /nfs/dbraw/zinc/09/99/35/1420099935.db2.gz MBXXHBJJLIZCSQ-IBGZPJMESA-N 2 0 349.563 3.482 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001715421657 1420113546 /nfs/dbraw/zinc/11/35/46/1420113546.db2.gz UVHKUVFIODESQU-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001715472192 1420151691 /nfs/dbraw/zinc/15/16/91/1420151691.db2.gz HLDVWMFYPAZXLJ-XLIONFOSSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001733269789 1429431396 /nfs/dbraw/zinc/43/13/96/1429431396.db2.gz RPKKGIYMWOFBND-RTBURBONSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001716710421 1420863519 /nfs/dbraw/zinc/86/35/19/1420863519.db2.gz CKLAXKXCSKFNJC-UXHICEINSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001717125060 1421127190 /nfs/dbraw/zinc/12/71/90/1421127190.db2.gz FEOBCBPNKPOLGE-VJANTYMQSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001717304471 1421246047 /nfs/dbraw/zinc/24/60/47/1421246047.db2.gz GYXMSNHJLLXULO-GOSISDBHSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001717540370 1421480786 /nfs/dbraw/zinc/48/07/86/1421480786.db2.gz OJTKGTHGKXBGTE-LJQANCHMSA-N 2 0 349.563 3.413 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001717624383 1421532953 /nfs/dbraw/zinc/53/29/53/1421532953.db2.gz QRLZOHXJYYBEMT-SLFFLAALSA-N 2 0 349.563 3.269 10 30 EGEERP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001717627002 1421535790 /nfs/dbraw/zinc/53/57/90/1421535790.db2.gz KWEVXGNJFAZPQS-SLFFLAALSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001723616797 1424495077 /nfs/dbraw/zinc/49/50/77/1424495077.db2.gz DTZSQZRPISMQTN-YQQQUEKLSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001723633423 1424499755 /nfs/dbraw/zinc/49/97/55/1424499755.db2.gz XJPVIIMQYRPLQY-AABGKKOBSA-N 2 0 347.547 3.281 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001724339984 1424832425 /nfs/dbraw/zinc/83/24/25/1424832425.db2.gz HJFLBBOOGDVHRL-NQIIRXRSSA-N 2 0 349.563 3.291 10 30 EGEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001724605628 1424938879 /nfs/dbraw/zinc/93/88/79/1424938879.db2.gz DMLIUBKRPIXVBJ-QWFCFKBJSA-N 2 0 347.547 3.092 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001733567764 1429769812 /nfs/dbraw/zinc/76/98/12/1429769812.db2.gz UDPNJTXOMRAEBY-VAMGGRTRSA-N 2 0 349.563 3.197 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001725016823 1425435661 /nfs/dbraw/zinc/43/56/61/1425435661.db2.gz FCXMVYRZLRTOAJ-LJQANCHMSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001725269197 1425904214 /nfs/dbraw/zinc/90/42/14/1425904214.db2.gz VNIOOWYJYCNVMK-SJORKVTESA-N 2 0 343.515 3.153 10 30 EGEERP C=CCC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001725611213 1426270075 /nfs/dbraw/zinc/27/00/75/1426270075.db2.gz WQXFRWZRMYLIPW-RXVVDRJESA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC001725755478 1426435240 /nfs/dbraw/zinc/43/52/40/1426435240.db2.gz MFMLHKDDEMJWFM-IBGZPJMESA-N 2 0 349.563 3.195 10 30 EGEERP C=CCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001731520437 1427508140 /nfs/dbraw/zinc/50/81/40/1427508140.db2.gz GKSIQDLUEDPURM-ZCNNSNEGSA-N 2 0 349.563 3.291 10 30 EGEERP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001733682947 1429896205 /nfs/dbraw/zinc/89/62/05/1429896205.db2.gz NMSKVIXRJYRDRU-FXAWDEMLSA-N 2 0 343.515 3.260 10 30 EGEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001733690935 1429907332 /nfs/dbraw/zinc/90/73/32/1429907332.db2.gz YJCILDLINHBAGC-GUDVDZBRSA-N 2 0 335.536 3.092 10 30 EGEERP CCCCCCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001733693620 1429910830 /nfs/dbraw/zinc/91/08/30/1429910830.db2.gz PKLJWDYGKFYOQG-UHFFFAOYSA-N 2 0 349.563 3.366 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001733898231 1437715496 /nfs/dbraw/zinc/71/54/96/1437715496.db2.gz IFWUEIZSCKBBEF-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001733941788 1437758235 /nfs/dbraw/zinc/75/82/35/1437758235.db2.gz QBGBQRJLVMDIRJ-FQEVSTJZSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001734209241 1437944136 /nfs/dbraw/zinc/94/41/36/1437944136.db2.gz WCJCBILQUKMYRN-FHWLQOOXSA-N 2 0 347.547 3.092 10 30 EGEERP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@@H]21 ZINC001734441131 1438103151 /nfs/dbraw/zinc/10/31/51/1438103151.db2.gz BVKRBTWQXAVVRU-YZGWKJHDSA-N 2 0 347.547 3.044 10 30 EGEERP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358437169 299289766 /nfs/dbraw/zinc/28/97/66/299289766.db2.gz FCOZGADXCQSELV-OAGGEKHMSA-N 2 0 333.451 3.237 10 30 EGEERP CC[NH+](CC)CC1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000477131587 267057087 /nfs/dbraw/zinc/05/70/87/267057087.db2.gz AAEGXSFZWXSNQI-UHFFFAOYSA-N 2 0 329.488 3.381 10 30 EGEERP C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000071825376 454225674 /nfs/dbraw/zinc/22/56/74/454225674.db2.gz ARKWIVUFJPGAKV-QGZVFWFLSA-N 2 0 334.467 3.161 10 30 EGEERP C[N@@H+]1CCC[C@@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000248169462 455693959 /nfs/dbraw/zinc/69/39/59/455693959.db2.gz ULBKZORHEBWVHD-SJLPKXTDSA-N 2 0 336.401 3.473 10 30 EGEERP C[C@H]1C[C@H](CC[NH2+]Cc2nc(C#N)cs2)C[N@@H+]1Cc1ccccc1 ZINC000557537170 459082368 /nfs/dbraw/zinc/08/23/68/459082368.db2.gz IJORXDNVTKRBMA-RDJZCZTQSA-N 2 0 340.496 3.405 10 30 EGEERP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000651758675 462327407 /nfs/dbraw/zinc/32/74/07/462327407.db2.gz JNAMPMMZTCNBEV-UIFIKXQLSA-N 2 0 328.500 3.478 10 30 EGEERP C=CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000883188030 1302294498 /nfs/dbraw/zinc/29/44/98/1302294498.db2.gz BNOPKSDLTDTGST-SFTDATJTSA-N 2 0 341.543 3.322 10 30 EGEERP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940857782 1331223322 /nfs/dbraw/zinc/22/33/22/1331223322.db2.gz CZROQHYSFAHNKO-RTBURBONSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001323638808 1387414284 /nfs/dbraw/zinc/41/42/84/1387414284.db2.gz VHKGRZGBSYMZHJ-UYAOXDASSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001324163963 1387549910 /nfs/dbraw/zinc/54/99/10/1387549910.db2.gz SELJQNKSFAJMAH-QUCCMNQESA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001324505127 1387654842 /nfs/dbraw/zinc/65/48/42/1387654842.db2.gz HDEHXWQRMWSIRL-ICSRJNTNSA-N 2 0 349.563 3.482 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001325599624 1388009592 /nfs/dbraw/zinc/00/95/92/1388009592.db2.gz VFGGOMQEFJXWFL-XLIONFOSSA-N 2 0 343.515 3.012 10 30 EGEERP C=CC[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1 ZINC001267521446 1377450904 /nfs/dbraw/zinc/45/09/04/1377450904.db2.gz YQXJNZQMVBBCEA-IBGZPJMESA-N 2 0 343.515 3.132 10 30 EGEERP C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc2C1 ZINC001274035676 1378114366 /nfs/dbraw/zinc/11/43/66/1378114366.db2.gz ITQLKEBNQADUCO-HXUWFJFHSA-N 2 0 343.515 3.171 10 30 EGEERP C=C(Cl)C[NH+](CCNC(=O)C[N@@H+](C)C(C)C)C1CCCCCC1 ZINC001277382098 1378221268 /nfs/dbraw/zinc/22/12/68/1378221268.db2.gz GEGZBADGDJCSOA-UHFFFAOYSA-N 2 0 343.943 3.220 10 30 EGEERP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001282675071 1378545591 /nfs/dbraw/zinc/54/55/91/1378545591.db2.gz JPLVRNGHDONVBI-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP CCCCCCC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001327921875 1388623359 /nfs/dbraw/zinc/62/33/59/1388623359.db2.gz CBAQOYXGFHHWKB-HKUYNNGSSA-N 2 0 337.552 3.125 10 30 EGEERP C=C(C)CC[N@@H+](C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001284536326 1379943065 /nfs/dbraw/zinc/94/30/65/1379943065.db2.gz HYMOWQKKHHBSHN-RTBURBONSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)CC[N@@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001284553638 1379961130 /nfs/dbraw/zinc/96/11/30/1379961130.db2.gz RFDIMBBOWQJXDZ-RTBURBONSA-N 2 0 337.552 3.242 10 30 EGEERP CCCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001327981692 1388638390 /nfs/dbraw/zinc/63/83/90/1388638390.db2.gz HOQJQHXJHOAGNT-QZTJIDSGSA-N 2 0 337.552 3.268 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC001284651917 1380065230 /nfs/dbraw/zinc/06/52/30/1380065230.db2.gz CPEVFAKUTUXTBL-GOSISDBHSA-N 2 0 331.504 3.058 10 30 EGEERP CCCCCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001319824163 1386319350 /nfs/dbraw/zinc/31/93/50/1386319350.db2.gz HDFVVMUMMMWZDD-RTBURBONSA-N 2 0 349.563 3.269 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001319833710 1386325885 /nfs/dbraw/zinc/32/58/85/1386325885.db2.gz SINKVUHYDXOKQD-WOJBJXKFSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001329733757 1389212511 /nfs/dbraw/zinc/21/25/11/1389212511.db2.gz JGSOGQOEODVHGZ-DLBZAZTESA-N 2 0 343.943 3.074 10 30 EGEERP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001329954715 1389272785 /nfs/dbraw/zinc/27/27/85/1389272785.db2.gz UXUDGSKVGNEXHS-PMACEKPBSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1c(C)cc(C)nc1C ZINC001331303213 1389692732 /nfs/dbraw/zinc/69/27/32/1389692732.db2.gz MPCZUDPXSNSBJB-GOSISDBHSA-N 2 0 329.488 3.413 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001332398234 1390105867 /nfs/dbraw/zinc/10/58/67/1390105867.db2.gz LMMMGNRHIMITFP-GOSISDBHSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001479501143 1392258776 /nfs/dbraw/zinc/25/87/76/1392258776.db2.gz JOZHVELSYICSKP-SFHVURJKSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001479738935 1392351353 /nfs/dbraw/zinc/35/13/53/1392351353.db2.gz NKHCECZACWNZIE-IBGZPJMESA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480085251 1392574979 /nfs/dbraw/zinc/57/49/79/1392574979.db2.gz MVGGKXWYCFDMBP-LJQANCHMSA-N 2 0 343.515 3.108 10 30 EGEERP C=CCCC[NH2+]C1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001480403238 1392741989 /nfs/dbraw/zinc/74/19/89/1392741989.db2.gz QFUBBNLWZCAUKG-UHFFFAOYSA-N 2 0 335.536 3.234 10 30 EGEERP CCCCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001480702390 1392865947 /nfs/dbraw/zinc/86/59/47/1392865947.db2.gz RELMHNJWSCHXCR-RBUKOAKNSA-N 2 0 337.552 3.316 10 30 EGEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001480734155 1392899098 /nfs/dbraw/zinc/89/90/98/1392899098.db2.gz ZSLQCZTZSOEVPY-WOJBJXKFSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001481515905 1394364842 /nfs/dbraw/zinc/36/48/42/1394364842.db2.gz HDBPTAUDMIAPHJ-ICSRJNTNSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001482474282 1395028919 /nfs/dbraw/zinc/02/89/19/1395028919.db2.gz SMFYHRJYHNEEKO-ZWKOTPCHSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001484170354 1395309914 /nfs/dbraw/zinc/30/99/14/1395309914.db2.gz ONKDTFWKRGUPJM-UYAOXDASSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001484401317 1395372829 /nfs/dbraw/zinc/37/28/29/1395372829.db2.gz IWDDKMHWQDPDBE-RTBURBONSA-N 2 0 343.515 3.054 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001484723397 1395487665 /nfs/dbraw/zinc/48/76/65/1395487665.db2.gz GRTYIYSCZSOLFZ-LJQANCHMSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001485040546 1395647299 /nfs/dbraw/zinc/64/72/99/1395647299.db2.gz KIAVFXJLRQSRSK-IBGZPJMESA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001496415624 1396699009 /nfs/dbraw/zinc/69/90/09/1396699009.db2.gz VQTPGFAIYOCRJT-IBGZPJMESA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1CC ZINC001689178816 1396960575 /nfs/dbraw/zinc/96/05/75/1396960575.db2.gz UMBKJCJGIPVURI-ZWKOTPCHSA-N 2 0 335.536 3.185 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001689269876 1397001128 /nfs/dbraw/zinc/00/11/28/1397001128.db2.gz BXCISQHPFQSDGO-HXUWFJFHSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001699033482 1406872168 /nfs/dbraw/zinc/87/21/68/1406872168.db2.gz ZUPIHIZLKXUVOL-PMACEKPBSA-N 2 0 343.515 3.203 10 30 EGEERP C=CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001690318858 1404477216 /nfs/dbraw/zinc/47/72/16/1404477216.db2.gz YXBXHZJNUXUHMS-WOJBJXKFSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001690477244 1404598238 /nfs/dbraw/zinc/59/82/38/1404598238.db2.gz FQVXQICTLYWHSG-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001691149151 1405083224 /nfs/dbraw/zinc/08/32/24/1405083224.db2.gz VONYZOBIPPMHNW-QZTJIDSGSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)CC[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001691151045 1405084487 /nfs/dbraw/zinc/08/44/87/1405084487.db2.gz DTLJMQAECDOFKP-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)(C)C ZINC001725748822 1426426919 /nfs/dbraw/zinc/42/69/19/1426426919.db2.gz DBUBCBOIDVSPRR-ROUUACIJSA-N 2 0 337.552 3.336 10 30 EGEERP C=CC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccc(C(C)C)cc1 ZINC001691772928 1405484018 /nfs/dbraw/zinc/48/40/18/1405484018.db2.gz SDWIIMTVTQMIGV-HXUWFJFHSA-N 2 0 343.515 3.085 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001692004783 1405721634 /nfs/dbraw/zinc/72/16/34/1405721634.db2.gz LSDOCCWBXJWWQQ-MSOLQXFVSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001692326207 1405945324 /nfs/dbraw/zinc/94/53/24/1405945324.db2.gz QQQNTJBACZGCKT-GOSISDBHSA-N 2 0 335.536 3.188 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001698573712 1406180036 /nfs/dbraw/zinc/18/00/36/1406180036.db2.gz BVQMYRFTJWOTAK-RTBURBONSA-N 2 0 337.552 3.364 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001732325590 1428534112 /nfs/dbraw/zinc/53/41/12/1428534112.db2.gz VQDBNKASMHDGMB-IBGZPJMESA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001732331391 1428537747 /nfs/dbraw/zinc/53/77/47/1428537747.db2.gz MXDMXAKIXCLRAV-UHFFFAOYSA-N 2 0 347.547 3.143 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC001732476688 1428602716 /nfs/dbraw/zinc/60/27/16/1428602716.db2.gz GETGDJPJBUMOHR-FQEVSTJZSA-N 2 0 349.563 3.339 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001732493562 1428615596 /nfs/dbraw/zinc/61/55/96/1428615596.db2.gz ODVRVINLXJUEKC-PXNSSMCTSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001732531205 1428651438 /nfs/dbraw/zinc/65/14/38/1428651438.db2.gz KBBMOGGHIUSQQD-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001699682714 1413077104 /nfs/dbraw/zinc/07/71/04/1413077104.db2.gz UWPOBLDEMIZZQP-AQNXPRMDSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001699682715 1413077362 /nfs/dbraw/zinc/07/73/62/1413077362.db2.gz UWPOBLDEMIZZQP-ZCNNSNEGSA-N 2 0 347.547 3.140 10 30 EGEERP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001699990254 1413436843 /nfs/dbraw/zinc/43/68/43/1413436843.db2.gz YSJZOPGGEBOQKD-LWYYNNOASA-N 2 0 349.563 3.077 10 30 EGEERP C=CCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001700094447 1413509469 /nfs/dbraw/zinc/50/94/69/1413509469.db2.gz KFMNTCZQMRJWCE-XLIONFOSSA-N 2 0 343.515 3.404 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001700359667 1413869664 /nfs/dbraw/zinc/86/96/64/1413869664.db2.gz RSBQMZWZIVRFBB-ROUUACIJSA-N 2 0 337.552 3.242 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001700855171 1414502919 /nfs/dbraw/zinc/50/29/19/1414502919.db2.gz CINCPQOQQZOPEF-FUHWJXTLSA-N 2 0 347.503 3.280 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001700989186 1414632916 /nfs/dbraw/zinc/63/29/16/1414632916.db2.gz XJPGYXRAQADOOC-QZTJIDSGSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001707175661 1417229615 /nfs/dbraw/zinc/22/96/15/1417229615.db2.gz RYSLVCPINGWPDN-VAMGGRTRSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1CC ZINC001707205331 1417244387 /nfs/dbraw/zinc/24/43/87/1417244387.db2.gz WRZIWRDXXMMXNZ-OTWHNJEPSA-N 2 0 335.536 3.042 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001713087035 1417633692 /nfs/dbraw/zinc/63/36/92/1417633692.db2.gz BUSBJZLRGDHOIE-RTBURBONSA-N 2 0 337.552 3.410 10 30 EGEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001713136815 1417719313 /nfs/dbraw/zinc/71/93/13/1417719313.db2.gz NTXKRSMKHDAJDL-QGZVFWFLSA-N 2 0 347.503 3.091 10 30 EGEERP C=CCCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001713184994 1417760244 /nfs/dbraw/zinc/76/02/44/1417760244.db2.gz VLFQMBDSUDVMFP-UXHICEINSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713232672 1417818913 /nfs/dbraw/zinc/81/89/13/1417818913.db2.gz BURRFVRRECBFHW-UYAOXDASSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713728991 1418512154 /nfs/dbraw/zinc/51/21/54/1418512154.db2.gz SBRKZTQRMGUQSW-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001713758548 1418564178 /nfs/dbraw/zinc/56/41/78/1418564178.db2.gz RZWBSLHXRVGOSL-QUCCMNQESA-N 2 0 343.515 3.036 10 30 EGEERP C=C(C)C[N@@H+](C)CC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001713763873 1418575575 /nfs/dbraw/zinc/57/55/75/1418575575.db2.gz HLRKXYRSTWPYCA-UHFFFAOYSA-N 2 0 349.544 3.170 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001713784639 1418601300 /nfs/dbraw/zinc/60/13/00/1418601300.db2.gz HAIGZHMPRCAJBD-CEXWTWQISA-N 2 0 337.552 3.268 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001713848069 1418643748 /nfs/dbraw/zinc/64/37/48/1418643748.db2.gz RMMJLGZLOSGJAT-ROUUACIJSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001713855108 1418652082 /nfs/dbraw/zinc/65/20/82/1418652082.db2.gz NIHZXJUTQVEITE-RTBURBONSA-N 2 0 347.547 3.044 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001713977382 1418757994 /nfs/dbraw/zinc/75/79/94/1418757994.db2.gz XFKVTLCABAEBSA-QZTJIDSGSA-N 2 0 346.519 3.236 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001714006657 1418785781 /nfs/dbraw/zinc/78/57/81/1418785781.db2.gz OCATYMGKAZYWSU-IBGZPJMESA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001714130252 1418933646 /nfs/dbraw/zinc/93/36/46/1418933646.db2.gz RDTZBKSFZNVMIL-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001714142116 1418944514 /nfs/dbraw/zinc/94/45/14/1418944514.db2.gz MOUDDKVKGWJXTG-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+]C[C@]1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC[C@@H]1C ZINC001714187156 1418994087 /nfs/dbraw/zinc/99/40/87/1418994087.db2.gz PRUQJANMYKIBQM-GHTZIAJQSA-N 2 0 349.563 3.338 10 30 EGEERP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001714326150 1419105593 /nfs/dbraw/zinc/10/55/93/1419105593.db2.gz MUBUEXLCCRPJFO-LJQANCHMSA-N 2 0 347.547 3.045 10 30 EGEERP CCCCCCC[NH2+][C@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001714410151 1419149891 /nfs/dbraw/zinc/14/98/91/1419149891.db2.gz CRWBIEGWJFQROE-ROUUACIJSA-N 2 0 335.536 3.070 10 30 EGEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001714914875 1419663821 /nfs/dbraw/zinc/66/38/21/1419663821.db2.gz ZQAKHIXCVPVFSX-WOJBJXKFSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CCCCC1 ZINC001714977940 1419712909 /nfs/dbraw/zinc/71/29/09/1419712909.db2.gz PECBWJJWDIIWLT-UXHICEINSA-N 2 0 349.563 3.339 10 30 EGEERP C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001715383221 1420079913 /nfs/dbraw/zinc/07/99/13/1420079913.db2.gz FYVWYEIPKFVRIF-RBUKOAKNSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001715408235 1420105874 /nfs/dbraw/zinc/10/58/74/1420105874.db2.gz DQGKYRSLJCTBKP-HKUYNNGSSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001715434848 1420121818 /nfs/dbraw/zinc/12/18/18/1420121818.db2.gz GDMYYIFSWQGONY-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001715464745 1420143874 /nfs/dbraw/zinc/14/38/74/1420143874.db2.gz WHMDURWWQUPYHA-SJORKVTESA-N 2 0 347.503 3.138 10 30 EGEERP C=CCCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001715498759 1420180611 /nfs/dbraw/zinc/18/06/11/1420180611.db2.gz OOXYJHXSQVFSCR-FQEVSTJZSA-N 2 0 349.563 3.388 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001716053726 1420517997 /nfs/dbraw/zinc/51/79/97/1420517997.db2.gz LLAKYNSBSDUFHX-RBUKOAKNSA-N 2 0 337.552 3.220 10 30 EGEERP C=CC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CCCCCC1 ZINC001733278507 1429446907 /nfs/dbraw/zinc/44/69/07/1429446907.db2.gz RHPDCAICKSMDSX-WOJBJXKFSA-N 2 0 347.547 3.330 10 30 EGEERP C#CCN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001716811114 1420937328 /nfs/dbraw/zinc/93/73/28/1420937328.db2.gz OJNZOHFTGSCDIZ-UHFFFAOYSA-N 2 0 349.563 3.081 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2CCC)cc1 ZINC001717115467 1421119253 /nfs/dbraw/zinc/11/92/53/1421119253.db2.gz MJZHSIAVQRZVOK-FXAWDEMLSA-N 2 0 343.515 3.404 10 30 EGEERP C=CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001717334711 1421271276 /nfs/dbraw/zinc/27/12/76/1421271276.db2.gz YJUDWWAIWVAJOM-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001717796377 1421627061 /nfs/dbraw/zinc/62/70/61/1421627061.db2.gz PWMPUTPVYSBEBR-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@H]12 ZINC001717836080 1421649372 /nfs/dbraw/zinc/64/93/72/1421649372.db2.gz GEECCQNRVGEYKQ-FPOVZHCZSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001717980265 1421751507 /nfs/dbraw/zinc/75/15/07/1421751507.db2.gz ROJLMSLSLMZCCO-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001723633424 1424499929 /nfs/dbraw/zinc/49/99/29/1424499929.db2.gz XJPVIIMQYRPLQY-HSALFYBXSA-N 2 0 347.547 3.281 10 30 EGEERP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001723727869 1424551920 /nfs/dbraw/zinc/55/19/20/1424551920.db2.gz XYHSYJKDAIXMDS-OAQYLSRUSA-N 2 0 347.547 3.143 10 30 EGEERP 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 1429765838 /nfs/dbraw/zinc/76/58/38/1429765838.db2.gz GAYHQNQOECGBOM-LTFPLMDUSA-N 2 0 347.547 3.042 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001724707260 1425063716 /nfs/dbraw/zinc/06/37/16/1425063716.db2.gz JMMMRLLVBWHOCO-MOPGFXCFSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001724745464 1425114109 /nfs/dbraw/zinc/11/41/09/1425114109.db2.gz IUUCFNOKFHPZPI-YLJYHZDGSA-N 2 0 343.515 3.404 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001724836228 1425183770 /nfs/dbraw/zinc/18/37/70/1425183770.db2.gz SIUCUBHVJLECFJ-CEXWTWQISA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001724979095 1425380331 /nfs/dbraw/zinc/38/03/31/1425380331.db2.gz KRGDAYNKYVOOAK-OALUTQOASA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001725228025 1425797250 /nfs/dbraw/zinc/79/72/50/1425797250.db2.gz DVRABFCGLSMRHL-ZWKOTPCHSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)(C)C ZINC001725756485 1426435749 /nfs/dbraw/zinc/43/57/49/1426435749.db2.gz JYUWGXHDKUWSCJ-MSOLQXFVSA-N 2 0 337.552 3.194 10 30 EGEERP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001731561040 1427596204 /nfs/dbraw/zinc/59/62/04/1427596204.db2.gz DESLTYJWHFGSPV-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001731573254 1427616257 /nfs/dbraw/zinc/61/62/57/1427616257.db2.gz GYEZJLYXWPNFHH-CTWPCTMYSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733598366 1429797407 /nfs/dbraw/zinc/79/74/07/1429797407.db2.gz LBKPSIUKEPPZFD-RBUKOAKNSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001733877991 1437705492 /nfs/dbraw/zinc/70/54/92/1437705492.db2.gz GJHFBOYUDBJWJO-RTBURBONSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001733877986 1437705566 /nfs/dbraw/zinc/70/55/66/1437705566.db2.gz GJHFBOYUDBJWJO-MOPGFXCFSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001733897189 1437715012 /nfs/dbraw/zinc/71/50/12/1437715012.db2.gz CLTNIOKXBVAQLI-WBVHZDCISA-N 2 0 349.544 3.359 10 30 EGEERP C=CCCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001734148052 1437915996 /nfs/dbraw/zinc/91/59/96/1437915996.db2.gz NZNWVRHBXXUPHN-IBGZPJMESA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001734195936 1437937169 /nfs/dbraw/zinc/93/71/69/1437937169.db2.gz PRTGDODAXVRIMI-RTBURBONSA-N 2 0 347.547 3.140 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001734438247 1438100794 /nfs/dbraw/zinc/10/07/94/1438100794.db2.gz GABRGRFOKQYWEK-IRFCIJBXSA-N 2 0 349.563 3.412 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001734447344 1438107884 /nfs/dbraw/zinc/10/78/84/1438107884.db2.gz ZKLTWZBYFXFRQD-ZVDOUQERSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001734503068 1438135833 /nfs/dbraw/zinc/13/58/33/1438135833.db2.gz SNRUMHCQSWRHJC-IBGZPJMESA-N 2 0 343.515 3.155 10 30 EGEERP N#Cc1cccc(C[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000069490717 454111879 /nfs/dbraw/zinc/11/18/79/454111879.db2.gz KWWUQZVCFDEYEB-QFIPXVFZSA-N 2 0 349.478 3.093 10 30 EGEERP Clc1ccc(C#CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000427012758 457934838 /nfs/dbraw/zinc/93/48/38/457934838.db2.gz SHHBNWLQWQKCQT-UHFFFAOYSA-N 2 0 346.902 3.126 10 30 EGEERP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2OC(F)F)[C@@H](C)C1 ZINC000437903193 458509772 /nfs/dbraw/zinc/50/97/72/458509772.db2.gz JILRLGNRDBZEKZ-BBRMVZONSA-N 2 0 337.414 3.322 10 30 EGEERP C=CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000883186349 1302292615 /nfs/dbraw/zinc/29/26/15/1302292615.db2.gz QDIUVDDEQFEJDO-CTNGQTDRSA-N 2 0 329.532 3.037 10 30 EGEERP C=CCC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883193066 1302298024 /nfs/dbraw/zinc/29/80/24/1302298024.db2.gz NTAPPOCCDXNCLT-PMACEKPBSA-N 2 0 349.563 3.040 10 30 EGEERP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001323736903 1387439165 /nfs/dbraw/zinc/43/91/65/1387439165.db2.gz XVSLKABHSMDACZ-FQEVSTJZSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001324887088 1387806222 /nfs/dbraw/zinc/80/62/22/1387806222.db2.gz RWAWAXCJVQSLOY-ZWKOTPCHSA-N 2 0 337.552 3.146 10 30 EGEERP C=CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1OC ZINC001119988945 1371443831 /nfs/dbraw/zinc/44/38/31/1371443831.db2.gz MDMKGWCAKASLBR-GBESFXJTSA-N 2 0 344.499 3.422 10 30 EGEERP C=CCCC[NH2+]C1(CC)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001327494262 1388535743 /nfs/dbraw/zinc/53/57/43/1388535743.db2.gz ZKCSPIDKSHEALM-QZTJIDSGSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H](CC)[NH+](CC)CC)CC2)CC1 ZINC001279367925 1378307496 /nfs/dbraw/zinc/30/74/96/1378307496.db2.gz CBDDOMUHGYKQNW-SFHVURJKSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001327921877 1388623563 /nfs/dbraw/zinc/62/35/63/1388623563.db2.gz CBAQOYXGFHHWKB-PKOBYXMFSA-N 2 0 337.552 3.125 10 30 EGEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001328099730 1388671344 /nfs/dbraw/zinc/67/13/44/1388671344.db2.gz XVMOJRFMFYGYRR-OALUTQOASA-N 2 0 349.563 3.290 10 30 EGEERP C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001297372805 1383151853 /nfs/dbraw/zinc/15/18/53/1383151853.db2.gz FSVGKUKZPFNDNG-UHFFFAOYSA-N 2 0 343.515 3.252 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317328017 1385084042 /nfs/dbraw/zinc/08/40/42/1385084042.db2.gz ZCWKRGSNTDYLLX-ZWKOTPCHSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317521840 1385240135 /nfs/dbraw/zinc/24/01/35/1385240135.db2.gz FFATZBDSWRNOFL-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001317876605 1385556346 /nfs/dbraw/zinc/55/63/46/1385556346.db2.gz KMALHUASSOPUMO-VQTJNVASSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001317880059 1385557807 /nfs/dbraw/zinc/55/78/07/1385557807.db2.gz PMEPIKAVCUAORU-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP CCCCCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001319824160 1386318872 /nfs/dbraw/zinc/31/88/72/1386318872.db2.gz HDFVVMUMMMWZDD-MOPGFXCFSA-N 2 0 349.563 3.269 10 30 EGEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001319915108 1386386852 /nfs/dbraw/zinc/38/68/52/1386386852.db2.gz HYNJFMGAVVZYJY-AZUAARDMSA-N 2 0 349.563 3.338 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001330498996 1389431331 /nfs/dbraw/zinc/43/13/31/1389431331.db2.gz CPQFDJHXMHIGLT-MOPGFXCFSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001479612483 1392287708 /nfs/dbraw/zinc/28/77/08/1392287708.db2.gz JRCNYLSKDYFLNL-RLLQIKCJSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001479695840 1392327014 /nfs/dbraw/zinc/32/70/14/1392327014.db2.gz OZYMCPFEMJUTRZ-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001479986901 1392519037 /nfs/dbraw/zinc/51/90/37/1392519037.db2.gz AGKZXEBVABIHDU-RTBURBONSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001479995276 1392526589 /nfs/dbraw/zinc/52/65/89/1392526589.db2.gz JRXHXKONSGWQDJ-ICSRJNTNSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001480254536 1392639239 /nfs/dbraw/zinc/63/92/39/1392639239.db2.gz DHQNWHMFHMBNNE-AZUAARDMSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001480736987 1392902757 /nfs/dbraw/zinc/90/27/57/1392902757.db2.gz KHYCWTLOTAOLCW-OALUTQOASA-N 2 0 335.536 3.138 10 30 EGEERP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001480828334 1392967133 /nfs/dbraw/zinc/96/71/33/1392967133.db2.gz OUXOSZRRDPHGAG-AZUAARDMSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CCCCC1 ZINC001698878469 1406604537 /nfs/dbraw/zinc/60/45/37/1406604537.db2.gz BLYNOTAGYATIQC-SFHVURJKSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001698919105 1406653800 /nfs/dbraw/zinc/65/38/00/1406653800.db2.gz WEXNOEIFZZELNK-PKOBYXMFSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001491270866 1394499066 /nfs/dbraw/zinc/49/90/66/1394499066.db2.gz IUWJIJOUHBGPSE-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001482453440 1395011688 /nfs/dbraw/zinc/01/16/88/1395011688.db2.gz BGLSAESLLWHTAC-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001483847619 1395114279 /nfs/dbraw/zinc/11/42/79/1395114279.db2.gz IOHCLIRALSWKRF-TZIWHRDSSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CCCC1 ZINC001484001142 1395179059 /nfs/dbraw/zinc/17/90/59/1395179059.db2.gz NHUPRQGDPROEFD-IBGZPJMESA-N 2 0 349.563 3.482 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001484161335 1395295822 /nfs/dbraw/zinc/29/58/22/1395295822.db2.gz VCYCBNMLDAQUAH-FPOVZHCZSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001484466760 1395403486 /nfs/dbraw/zinc/40/34/86/1395403486.db2.gz WBCXIILBUIZLBJ-SLFFLAALSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001484891063 1395587917 /nfs/dbraw/zinc/58/79/17/1395587917.db2.gz CBSDANQRTOADND-AEFFLSMTSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001485457497 1395930270 /nfs/dbraw/zinc/93/02/70/1395930270.db2.gz NGPWLWHMOUZTIB-RTBURBONSA-N 2 0 347.547 3.378 10 30 EGEERP C=CCCCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485476044 1395953788 /nfs/dbraw/zinc/95/37/88/1395953788.db2.gz HLOAYUAUQYLNJH-HSALFYBXSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001485658878 1396088247 /nfs/dbraw/zinc/08/82/47/1396088247.db2.gz ZQKUZSAVHXSMRC-XUVXKRRUSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001501170575 1396189074 /nfs/dbraw/zinc/18/90/74/1396189074.db2.gz ZNUDWBOJLGCREW-XEYPJELSSA-N 2 0 347.547 3.042 10 30 EGEERP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001502730462 1396221615 /nfs/dbraw/zinc/22/16/15/1396221615.db2.gz AAUDMFNVRJKIKD-PKOBYXMFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001496412767 1396696587 /nfs/dbraw/zinc/69/65/87/1396696587.db2.gz CTYYOFFZDRXSAA-HXUWFJFHSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001689229925 1396983162 /nfs/dbraw/zinc/98/31/62/1396983162.db2.gz GZNCTJKJJZBPRV-HSALFYBXSA-N 2 0 349.563 3.099 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001689309641 1397029524 /nfs/dbraw/zinc/02/95/24/1397029524.db2.gz VHMQOOPYBVVJOA-MSOLQXFVSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001699033487 1406871939 /nfs/dbraw/zinc/87/19/39/1406871939.db2.gz ZUPIHIZLKXUVOL-WOJBJXKFSA-N 2 0 343.515 3.203 10 30 EGEERP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001690128772 1404323127 /nfs/dbraw/zinc/32/31/27/1404323127.db2.gz TUXNOFPSPYTPRR-MOPGFXCFSA-N 2 0 349.563 3.269 10 30 EGEERP C=C(C)C[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001690493004 1404607305 /nfs/dbraw/zinc/60/73/05/1404607305.db2.gz XTPCXWUNOQVGRC-OALUTQOASA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001690501619 1404614785 /nfs/dbraw/zinc/61/47/85/1404614785.db2.gz NJLXDIFZXLXAPH-ZWKOTPCHSA-N 2 0 337.552 3.147 10 30 EGEERP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001691411793 1405250268 /nfs/dbraw/zinc/25/02/68/1405250268.db2.gz XCQWYRZADWZNPP-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001691620612 1405361447 /nfs/dbraw/zinc/36/14/47/1405361447.db2.gz MIRBSJZZPWXVAR-MSOLQXFVSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001691663313 1405396592 /nfs/dbraw/zinc/39/65/92/1405396592.db2.gz QGFOOPIPZOBPOI-QWFCFKBJSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001691845186 1405558146 /nfs/dbraw/zinc/55/81/46/1405558146.db2.gz XZXXPGQCVODVMZ-QYZOEREBSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001691964731 1405680721 /nfs/dbraw/zinc/68/07/21/1405680721.db2.gz DQNSKSKEONNFBP-MRXNPFEDSA-N 2 0 349.544 3.170 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001692121036 1405783436 /nfs/dbraw/zinc/78/34/36/1405783436.db2.gz MPOZYALWWIWZRY-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001692127616 1405786636 /nfs/dbraw/zinc/78/66/36/1405786636.db2.gz AQRGFDKMEKZRKO-QUCCMNQESA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001692316575 1405935090 /nfs/dbraw/zinc/93/50/90/1405935090.db2.gz QVMKBQISVBZWRN-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001732182566 1428430479 /nfs/dbraw/zinc/43/04/79/1428430479.db2.gz PHUIEDYTOZTGQL-GOSISDBHSA-N 2 0 340.471 3.145 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001732313751 1428525891 /nfs/dbraw/zinc/52/58/91/1428525891.db2.gz XASOBLNHLVROKC-NCXUSEDFSA-N 2 0 335.536 3.233 10 30 EGEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1CC ZINC001699605362 1412969121 /nfs/dbraw/zinc/96/91/21/1412969121.db2.gz NRICAYRVTPRSPG-QUCCMNQESA-N 2 0 349.563 3.434 10 30 EGEERP CC#CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001699683388 1413078196 /nfs/dbraw/zinc/07/81/96/1413078196.db2.gz JNQHQNCILYNSQC-IBGZPJMESA-N 2 0 347.547 3.025 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001699774577 1413183767 /nfs/dbraw/zinc/18/37/67/1413183767.db2.gz SIUOAOUQGUWITD-SFHVURJKSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CCCC1 ZINC001699798984 1413209438 /nfs/dbraw/zinc/20/94/38/1413209438.db2.gz MADHIJHYCGZTLZ-WOJBJXKFSA-N 2 0 349.563 3.338 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001699806477 1413221207 /nfs/dbraw/zinc/22/12/07/1413221207.db2.gz MFJXZJWADWHMFA-OAQYLSRUSA-N 2 0 349.563 3.389 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001699978968 1413424063 /nfs/dbraw/zinc/42/40/63/1413424063.db2.gz JYLLVSRQNWISPU-WGSAOQKQSA-N 2 0 347.547 3.093 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001700197296 1413638829 /nfs/dbraw/zinc/63/88/29/1413638829.db2.gz JWFBMEQKZAKFKX-PMACEKPBSA-N 2 0 349.563 3.388 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001700295461 1413755289 /nfs/dbraw/zinc/75/52/89/1413755289.db2.gz OJYZMJSCXMKERM-ROUUACIJSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001700361300 1413875235 /nfs/dbraw/zinc/87/52/35/1413875235.db2.gz BJGCGXXLYQDBDA-AZUAARDMSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001700567580 1414235356 /nfs/dbraw/zinc/23/53/56/1414235356.db2.gz KYPXGCMNFRPMKZ-KRWDZBQOSA-N 2 0 335.536 3.042 10 30 EGEERP CCCCCCC[N@@H+]1CCCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001700620466 1414289882 /nfs/dbraw/zinc/28/98/82/1414289882.db2.gz WWMJQWJUYSXEMP-UHFFFAOYSA-N 2 0 349.563 3.223 10 30 EGEERP C=CCCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001701023019 1414683806 /nfs/dbraw/zinc/68/38/06/1414683806.db2.gz PHXSGFBBWMYWIV-YXWAVELNSA-N 2 0 335.536 3.042 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001707193468 1417239496 /nfs/dbraw/zinc/23/94/96/1417239496.db2.gz MOSLCXTWTNTUDE-SLFFLAALSA-N 2 0 349.563 3.268 10 30 EGEERP C=CCC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001733043535 1429173812 /nfs/dbraw/zinc/17/38/12/1429173812.db2.gz PVACEZAHGARROG-HUUCEWRRSA-N 2 0 328.460 3.048 10 30 EGEERP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001713095880 1417645287 /nfs/dbraw/zinc/64/52/87/1417645287.db2.gz URLNGDMJRSOPKB-IBGZPJMESA-N 2 0 347.547 3.188 10 30 EGEERP C=CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713275901 1417894163 /nfs/dbraw/zinc/89/41/63/1417894163.db2.gz OJJBNZSYZAVGLM-SJORKVTESA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001713394278 1418008670 /nfs/dbraw/zinc/00/86/70/1418008670.db2.gz SJWWDZXBHOQGER-SFHVURJKSA-N 2 0 340.471 3.145 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001713678261 1418430331 /nfs/dbraw/zinc/43/03/31/1418430331.db2.gz WPFBKLHZRUMLCW-PXNSSMCTSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001713751015 1418552112 /nfs/dbraw/zinc/55/21/12/1418552112.db2.gz LKYAQJWEMWOICP-QGZVFWFLSA-N 2 0 340.471 3.003 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713971776 1418750494 /nfs/dbraw/zinc/75/04/94/1418750494.db2.gz PQUBTDWMTSDVFM-GOSISDBHSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713993564 1418772096 /nfs/dbraw/zinc/77/20/96/1418772096.db2.gz LWMWTBHFHSLDSU-YESZJQIVSA-N 2 0 335.536 3.231 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001714025873 1418810674 /nfs/dbraw/zinc/81/06/74/1418810674.db2.gz UVDRUWKWAWHQQU-MOPGFXCFSA-N 2 0 335.536 3.140 10 30 EGEERP CCCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001714366135 1419125802 /nfs/dbraw/zinc/12/58/02/1419125802.db2.gz MUEQPELBAXVJQN-UHFFFAOYSA-N 2 0 337.552 3.223 10 30 EGEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001714492924 1419216501 /nfs/dbraw/zinc/21/65/01/1419216501.db2.gz AHIMSQJNHOKIQC-GOSISDBHSA-N 2 0 347.547 3.236 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001714910405 1419655851 /nfs/dbraw/zinc/65/58/51/1419655851.db2.gz VUDFCMNEVFUFTM-IBGZPJMESA-N 2 0 343.515 3.108 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001714910407 1419656237 /nfs/dbraw/zinc/65/62/37/1419656237.db2.gz VUDFCMNEVFUFTM-LJQANCHMSA-N 2 0 343.515 3.108 10 30 EGEERP C=C(C)C[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001714916052 1419666851 /nfs/dbraw/zinc/66/68/51/1419666851.db2.gz ZPAMRFZTZTYBFA-UHFFFAOYSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001715183618 1419916943 /nfs/dbraw/zinc/91/69/43/1419916943.db2.gz QIZJOELBDXMXMS-BJLQDIEVSA-N 2 0 347.547 3.377 10 30 EGEERP CCCCCCC[NH+]1CC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001715314431 1420023574 /nfs/dbraw/zinc/02/35/74/1420023574.db2.gz PQSOIUXLMNHPFR-UHFFFAOYSA-N 2 0 349.563 3.366 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001716063191 1420523201 /nfs/dbraw/zinc/52/32/01/1420523201.db2.gz KDIFKCKKQOIECS-VQIMIIECSA-N 2 0 340.471 3.097 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001716519085 1420748228 /nfs/dbraw/zinc/74/82/28/1420748228.db2.gz BDKHWDCIXHJDDQ-RBUKOAKNSA-N 2 0 335.536 3.093 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001716798748 1420931842 /nfs/dbraw/zinc/93/18/42/1420931842.db2.gz DWBAAUZHVYYTIO-SFHVURJKSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001717200296 1421167385 /nfs/dbraw/zinc/16/73/85/1421167385.db2.gz COHDLCINVQQQPT-HXUWFJFHSA-N 2 0 343.515 3.299 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001733463348 1429691929 /nfs/dbraw/zinc/69/19/29/1429691929.db2.gz QYHACFOOFNGXPC-HXUWFJFHSA-N 2 0 349.563 3.271 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC001723862119 1424590626 /nfs/dbraw/zinc/59/06/26/1424590626.db2.gz RVALZOVGNLTSJY-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC001723872901 1424593231 /nfs/dbraw/zinc/59/32/31/1424593231.db2.gz GVPHPUTWEDFEHR-PXNSSMCTSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001733555164 1429754242 /nfs/dbraw/zinc/75/42/42/1429754242.db2.gz AHNGXKHUJXWEHW-PXNSSMCTSA-N 2 0 343.515 3.012 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001724538083 1424900625 /nfs/dbraw/zinc/90/06/25/1424900625.db2.gz WPFJBHRCIZHBTF-DOTOQJQBSA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001724743118 1425111234 /nfs/dbraw/zinc/11/12/34/1425111234.db2.gz MVKBZVACBLLPPB-PXNSSMCTSA-N 2 0 343.515 3.402 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001724843819 1425193042 /nfs/dbraw/zinc/19/30/42/1425193042.db2.gz LUFBGNVEOGBPBB-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001724869772 1425252725 /nfs/dbraw/zinc/25/27/25/1425252725.db2.gz WBJPYEYJPCSLTK-VQTJNVASSA-N 2 0 347.547 3.142 10 30 EGEERP CCCCCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001724890402 1425276517 /nfs/dbraw/zinc/27/65/17/1425276517.db2.gz BDYZOWVGRLAEJJ-GOSISDBHSA-N 2 0 337.552 3.269 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@H]1C ZINC001724991864 1425393893 /nfs/dbraw/zinc/39/38/93/1425393893.db2.gz IRLUOLUBHYYWAY-IAGOWNOFSA-N 2 0 335.536 3.185 10 30 EGEERP CCCCCCC[NH+]1CC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001725256532 1425881135 /nfs/dbraw/zinc/88/11/35/1425881135.db2.gz QWUABMYFCUSBRR-GOSISDBHSA-N 2 0 349.563 3.269 10 30 EGEERP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001725426315 1426088798 /nfs/dbraw/zinc/08/87/98/1426088798.db2.gz SAEHDNHHLSLJIG-LJQANCHMSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001725428104 1426092602 /nfs/dbraw/zinc/09/26/02/1426092602.db2.gz XXTHMJQYZIDZBL-UHFFFAOYSA-N 2 0 335.536 3.142 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001725737669 1426412433 /nfs/dbraw/zinc/41/24/33/1426412433.db2.gz DTMRIQHRENGTPZ-IEBWSBKVSA-N 2 0 349.563 3.338 10 30 EGEERP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001725765935 1426448660 /nfs/dbraw/zinc/44/86/60/1426448660.db2.gz AXTUZVBDGVQXOK-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001731470937 1427450800 /nfs/dbraw/zinc/45/08/00/1427450800.db2.gz MEYLMUOFSKNTAQ-UXHICEINSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731537039 1427536346 /nfs/dbraw/zinc/53/63/46/1427536346.db2.gz QKHLXMNDLMGXEG-SFHVURJKSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001731716847 1427781334 /nfs/dbraw/zinc/78/13/34/1427781334.db2.gz ZVDJNPZQHRFRCT-OALUTQOASA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001731719658 1427787740 /nfs/dbraw/zinc/78/77/40/1427787740.db2.gz MFRHNEWDOVAPNA-RTBURBONSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001733694142 1429911668 /nfs/dbraw/zinc/91/16/68/1429911668.db2.gz YBYFVVWYAAGODW-OALUTQOASA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001734299879 1438031138 /nfs/dbraw/zinc/03/11/38/1438031138.db2.gz FEYWWONCSACADC-AZUAARDMSA-N 2 0 347.547 3.044 10 30 EGEERP CCCCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001734426339 1438091665 /nfs/dbraw/zinc/09/16/65/1438091665.db2.gz OWAHBTMEVVLVSW-RBUKOAKNSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@H]12 ZINC001734441390 1438103463 /nfs/dbraw/zinc/10/34/63/1438103463.db2.gz SMPHSMKLDLQTEL-IRFCIJBXSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001734605236 1438185422 /nfs/dbraw/zinc/18/54/22/1438185422.db2.gz YBSNUJJMDBQOLB-ROUUACIJSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCC[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000076734997 454031791 /nfs/dbraw/zinc/03/17/91/454031791.db2.gz QMCQNNLUHNTOAI-UHFFFAOYSA-N 2 0 347.528 3.072 10 30 EGEERP CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356139486 457480530 /nfs/dbraw/zinc/48/05/30/457480530.db2.gz SMYFFJSMYUICHS-AWEZNQCLSA-N 2 0 325.378 3.351 10 30 EGEERP CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(C#N)cc1 ZINC000595051979 459229295 /nfs/dbraw/zinc/22/92/95/459229295.db2.gz ZKJXVSCLDOOVMV-OAQYLSRUSA-N 2 0 341.499 3.490 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000876737711 1298949683 /nfs/dbraw/zinc/94/96/83/1298949683.db2.gz WEBHHCUDYIVTQU-NJAFHUGGSA-N 2 0 349.906 3.140 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000876763146 1298969787 /nfs/dbraw/zinc/96/97/87/1298969787.db2.gz OAACZJTWMYMLKK-WBVHZDCISA-N 2 0 349.906 3.236 10 30 EGEERP C=CCOc1ccccc1C[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000877665550 1299465973 /nfs/dbraw/zinc/46/59/73/1299465973.db2.gz YKSFRUYHMYPGCQ-UHFFFAOYSA-N 2 0 332.488 3.042 10 30 EGEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000899964493 1317209024 /nfs/dbraw/zinc/20/90/24/1317209024.db2.gz LOOLLLKIHFSFOK-QGZVFWFLSA-N 2 0 349.544 3.145 10 30 EGEERP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)ccc1OC 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/nfs/dbraw/zinc/75/86/15/1387758615.db2.gz FWZTWRSPKBTKJD-TZIWHRDSSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001324944437 1387841494 /nfs/dbraw/zinc/84/14/94/1387841494.db2.gz QYTSZESZRYNSIC-YLJYHZDGSA-N 2 0 335.536 3.044 10 30 EGEERP N#CC1(CCCC[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)CCC1 ZINC001198613600 1369074094 /nfs/dbraw/zinc/07/40/94/1369074094.db2.gz YSDNQMJVORHBGB-UHFFFAOYSA-N 2 0 333.520 3.163 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001327131919 1388395851 /nfs/dbraw/zinc/39/58/51/1388395851.db2.gz VXBBEBFBPJTWOR-GOSISDBHSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001266502116 1377323534 /nfs/dbraw/zinc/32/35/34/1377323534.db2.gz WNWUAGWPPMCZGE-ZCNNSNEGSA-N 2 0 347.547 3.282 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001268161476 1377489907 /nfs/dbraw/zinc/48/99/07/1377489907.db2.gz BVLCEXRPGSZIPG-FQEVSTJZSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@@H+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001284544288 1379951499 /nfs/dbraw/zinc/95/14/99/1379951499.db2.gz PGANSIUUWRMSMY-UHFFFAOYSA-N 2 0 342.487 3.391 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001284686901 1380098521 /nfs/dbraw/zinc/09/85/21/1380098521.db2.gz ZEOPQISBYPCHEP-QZTJIDSGSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001328068530 1388660171 /nfs/dbraw/zinc/66/01/71/1388660171.db2.gz RICMHYZUFVBJAX-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP CC(C)C[N@H+](CCOc1ccccc1C#N)CC1CC[NH+](C)CC1 ZINC001308028147 1384077363 /nfs/dbraw/zinc/07/73/63/1384077363.db2.gz RKXLTBDJRYOTFD-UHFFFAOYSA-N 2 0 329.488 3.237 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001316775869 1384575027 /nfs/dbraw/zinc/57/50/27/1384575027.db2.gz UIPYSQLZFGIKAA-UXHICEINSA-N 2 0 349.563 3.435 10 30 EGEERP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCCCCC)CC(C)(C)C1 ZINC001316811854 1384610566 /nfs/dbraw/zinc/61/05/66/1384610566.db2.gz PMOZUXUVGOURQH-IBGZPJMESA-N 2 0 349.563 3.129 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001317209605 1384987753 /nfs/dbraw/zinc/98/77/53/1384987753.db2.gz SYPHIZFTQYQYFS-MOPGFXCFSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001317688332 1385400134 /nfs/dbraw/zinc/40/01/34/1385400134.db2.gz WOFNCYZMVOBJLF-MJGOQNOKSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317804603 1385501496 /nfs/dbraw/zinc/50/14/96/1385501496.db2.gz CSFNHXHKBFUIOQ-RTBURBONSA-N 2 0 349.563 3.290 10 30 EGEERP CCCCCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001317884585 1385563112 /nfs/dbraw/zinc/56/31/12/1385563112.db2.gz USGZSLOVKNRNGO-IBGZPJMESA-N 2 0 337.552 3.079 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001318540401 1385744081 /nfs/dbraw/zinc/74/40/81/1385744081.db2.gz JGXZTJDXQXKGFK-HOCLYGCPSA-N 2 0 328.460 3.095 10 30 EGEERP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001320114957 1386523148 /nfs/dbraw/zinc/52/31/48/1386523148.db2.gz NCEHQJXUEMPEPC-WOJBJXKFSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001698696420 1406340005 /nfs/dbraw/zinc/34/00/05/1406340005.db2.gz HCORPQVTLTWBNI-FQEVSTJZSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001330666768 1389490012 /nfs/dbraw/zinc/49/00/12/1389490012.db2.gz KFWWRJQEXJEHGU-VJANTYMQSA-N 2 0 335.536 3.090 10 30 EGEERP C=CC[NH2+]CCC[C@@H](NC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001331175599 1389642259 /nfs/dbraw/zinc/64/22/59/1389642259.db2.gz BSVHDDIUUAWRIO-LJQANCHMSA-N 2 0 341.499 3.028 10 30 EGEERP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001333013336 1390236566 /nfs/dbraw/zinc/23/65/66/1390236566.db2.gz HKSMOQKVUCRORV-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001479689126 1392320517 /nfs/dbraw/zinc/32/05/17/1392320517.db2.gz XZBQZLGCYBFAJO-ICSRJNTNSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001480189859 1392619162 /nfs/dbraw/zinc/61/91/62/1392619162.db2.gz TUVCNVYVKMBJJY-VQTJNVASSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001480785730 1392931890 /nfs/dbraw/zinc/93/18/90/1392931890.db2.gz HKUROGRQMFSBLJ-WBVHZDCISA-N 2 0 341.927 3.020 10 30 EGEERP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001490792033 1394346352 /nfs/dbraw/zinc/34/63/52/1394346352.db2.gz PPORXGFVYJXCPL-HSALFYBXSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001482000126 1394659017 /nfs/dbraw/zinc/65/90/17/1394659017.db2.gz GUFOBAIQYVWVKD-VQTJNVASSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001482059229 1394719965 /nfs/dbraw/zinc/71/99/65/1394719965.db2.gz MIQFIYVXAKCXBA-DOTOQJQBSA-N 2 0 340.471 3.192 10 30 EGEERP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001482070786 1394733211 /nfs/dbraw/zinc/73/32/11/1394733211.db2.gz KZXNVGMGJDDXKZ-UHFFFAOYSA-N 2 0 347.547 3.143 10 30 EGEERP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001482245662 1394843086 /nfs/dbraw/zinc/84/30/86/1394843086.db2.gz MDPJASQPDLYKGU-LJQANCHMSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001482474934 1395029578 /nfs/dbraw/zinc/02/95/78/1395029578.db2.gz GBFHMDCGXBLNHK-UYAOXDASSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484059995 1395222721 /nfs/dbraw/zinc/22/27/21/1395222721.db2.gz CNSFOSIEZCKOSG-FQEVSTJZSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001484164412 1395299130 /nfs/dbraw/zinc/29/91/30/1395299130.db2.gz WSUBLIZLNOQSOP-TZIWHRDSSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001484471201 1395405004 /nfs/dbraw/zinc/40/50/04/1395405004.db2.gz KOMFCVCOZIDYIS-AZUAARDMSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001484471578 1395406301 /nfs/dbraw/zinc/40/63/01/1395406301.db2.gz AFVDFERXFHGLOO-SLFFLAALSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCCCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC001485570328 1396035878 /nfs/dbraw/zinc/03/58/78/1396035878.db2.gz RBEHIGFTOGIUIM-OALUTQOASA-N 2 0 349.563 3.432 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001499566751 1396184169 /nfs/dbraw/zinc/18/41/69/1396184169.db2.gz GSUFINUQKFLEMA-CTNGQTDRSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001495938351 1396572873 /nfs/dbraw/zinc/57/28/73/1396572873.db2.gz COZRYUOWDCKCDB-SFHVURJKSA-N 2 0 335.536 3.093 10 30 EGEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001691692502 1405427134 /nfs/dbraw/zinc/42/71/34/1405427134.db2.gz PQRHCADIOHACTB-UYAOXDASSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001692016992 1405736076 /nfs/dbraw/zinc/73/60/76/1405736076.db2.gz QNQLIBWVSSUVKJ-HXUWFJFHSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001692326208 1405945413 /nfs/dbraw/zinc/94/54/13/1405945413.db2.gz QQQNTJBACZGCKT-SFHVURJKSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001732163298 1428406535 /nfs/dbraw/zinc/40/65/35/1428406535.db2.gz QKQIVTULTNGVHA-IBGZPJMESA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001732273378 1428508902 /nfs/dbraw/zinc/50/89/02/1428508902.db2.gz TWGLHCWYQHQUAB-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1CC ZINC001699605575 1412969399 /nfs/dbraw/zinc/96/93/99/1412969399.db2.gz KGWIICYELDZPGY-WBVHZDCISA-N 2 0 349.544 3.216 10 30 EGEERP C=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001699681471 1413075659 /nfs/dbraw/zinc/07/56/59/1413075659.db2.gz MHQKMZUDJFKYFU-OHSMVPPVSA-N 2 0 347.547 3.185 10 30 EGEERP C=CC[NH+](CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CCCCCC1 ZINC001699684901 1413082417 /nfs/dbraw/zinc/08/24/17/1413082417.db2.gz XCAGBRDNJZQFFG-HDICACEKSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001732544470 1428717588 /nfs/dbraw/zinc/71/75/88/1428717588.db2.gz LIGDABBESCRVMD-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001699875204 1413329854 /nfs/dbraw/zinc/32/98/54/1413329854.db2.gz SXTGDVQJDPWLEA-AZUAARDMSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C(C)(C)C1 ZINC001700292467 1413747495 /nfs/dbraw/zinc/74/74/95/1413747495.db2.gz KSDVXFVJWAFSTK-OALUTQOASA-N 2 0 343.515 3.082 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001700313025 1413767470 /nfs/dbraw/zinc/76/74/70/1413767470.db2.gz FASISSXLIOFYMX-ZWKOTPCHSA-N 2 0 337.552 3.410 10 30 EGEERP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001700575415 1414249163 /nfs/dbraw/zinc/24/91/63/1414249163.db2.gz XFUFJWAIPWBKKJ-GBESFXJTSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001707107690 1417204254 /nfs/dbraw/zinc/20/42/54/1417204254.db2.gz QDIFRGSWNQTQCD-CEXWTWQISA-N 2 0 347.547 3.092 10 30 EGEERP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001707237043 1417257579 /nfs/dbraw/zinc/25/75/79/1417257579.db2.gz HTRYUFDZAUDDQU-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001707243345 1417262660 /nfs/dbraw/zinc/26/26/60/1417262660.db2.gz GCQZBVXTUJYRRS-LJQANCHMSA-N 2 0 349.563 3.413 10 30 EGEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713135650 1417716271 /nfs/dbraw/zinc/71/62/71/1417716271.db2.gz NYIJLKZFBBQTLQ-IBGZPJMESA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001713364961 1417978016 /nfs/dbraw/zinc/97/80/16/1417978016.db2.gz ZYVMEAGLKAKHPV-HKUYNNGSSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001713592002 1418385989 /nfs/dbraw/zinc/38/59/89/1418385989.db2.gz FYNCYNBXSBWXIY-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001713764851 1418577593 /nfs/dbraw/zinc/57/75/93/1418577593.db2.gz RSARHWIFADAZGK-VQTJNVASSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001713767343 1418582502 /nfs/dbraw/zinc/58/25/02/1418582502.db2.gz QLKILNSZWUXGLI-FQEVSTJZSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713899850 1418699558 /nfs/dbraw/zinc/69/95/58/1418699558.db2.gz KTQNUEAUHNRLLP-VQTJNVASSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001713925338 1418717316 /nfs/dbraw/zinc/71/73/16/1418717316.db2.gz SKRRUPVLHOVXDX-KRWDZBQOSA-N 2 0 340.471 3.193 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713957478 1418739551 /nfs/dbraw/zinc/73/95/51/1418739551.db2.gz ANNRNHDNZMNRKZ-SOAMZJECSA-N 2 0 347.547 3.375 10 30 EGEERP CCCCCCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001714190558 1418997145 /nfs/dbraw/zinc/99/71/45/1418997145.db2.gz AYWWAZPAPFQERI-CTWPCTMYSA-N 2 0 337.552 3.458 10 30 EGEERP C=CCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001714190944 1418997495 /nfs/dbraw/zinc/99/74/95/1418997495.db2.gz RMZBOUIVNOTEKN-ACBHZAAOSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1CC ZINC001733204352 1429310598 /nfs/dbraw/zinc/31/05/98/1429310598.db2.gz XGVQFVXQIMCKDJ-MOPGFXCFSA-N 2 0 349.563 3.291 10 30 EGEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC001714972918 1419707585 /nfs/dbraw/zinc/70/75/85/1419707585.db2.gz AJUXQRMEEHJCDD-WOJBJXKFSA-N 2 0 347.547 3.234 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001715202850 1419935863 /nfs/dbraw/zinc/93/58/63/1419935863.db2.gz CFBOIGQHRZSAHW-HXUWFJFHSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001715237515 1419968116 /nfs/dbraw/zinc/96/81/16/1419968116.db2.gz VKXUIRKVYWCYFZ-IBGZPJMESA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001715464743 1420143989 /nfs/dbraw/zinc/14/39/89/1420143989.db2.gz WHMDURWWQUPYHA-IAGOWNOFSA-N 2 0 347.503 3.138 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716711194 1420863771 /nfs/dbraw/zinc/86/37/71/1420863771.db2.gz UAPHSEQILRXXAP-YSTOQKLRSA-N 2 0 349.563 3.362 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001716829708 1420956068 /nfs/dbraw/zinc/95/60/68/1420956068.db2.gz BCVCYFAANTXGCV-OAQYLSRUSA-N 2 0 347.547 3.143 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001716829707 1420956124 /nfs/dbraw/zinc/95/61/24/1420956124.db2.gz BCVCYFAANTXGCV-NRFANRHFSA-N 2 0 347.547 3.143 10 30 EGEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001716868895 1420996949 /nfs/dbraw/zinc/99/69/49/1420996949.db2.gz DGFVNSFJYKJZAY-NRFANRHFSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001716871857 1420999096 /nfs/dbraw/zinc/99/90/96/1420999096.db2.gz WZGHYJKQISOVHA-TZIWHRDSSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001716966203 1421055232 /nfs/dbraw/zinc/05/52/32/1421055232.db2.gz NXMBTELJOGBRIK-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001717200295 1421167162 /nfs/dbraw/zinc/16/71/62/1421167162.db2.gz COHDLCINVQQQPT-FQEVSTJZSA-N 2 0 343.515 3.299 10 30 EGEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC001717347846 1421286589 /nfs/dbraw/zinc/28/65/89/1421286589.db2.gz KQOOOWSIJBRADZ-UHFFFAOYSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001717361407 1421296250 /nfs/dbraw/zinc/29/62/50/1421296250.db2.gz QQFHNYCNEZSKMX-VAMGGRTRSA-N 2 0 343.515 3.055 10 30 EGEERP C=C(C)C[NH2+]CC1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCCC1 ZINC001717526547 1421462610 /nfs/dbraw/zinc/46/26/10/1421462610.db2.gz HRZCHYHGAFCREI-UHFFFAOYSA-N 2 0 335.536 3.092 10 30 EGEERP 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 1421540906 /nfs/dbraw/zinc/54/09/06/1421540906.db2.gz VPSSRVXAPUNMOG-JYRKZWEQSA-N 2 0 349.563 3.098 10 30 EGEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717681484 1421563700 /nfs/dbraw/zinc/56/37/00/1421563700.db2.gz FXFSCDVGDPDNHT-PKOBYXMFSA-N 2 0 335.536 3.234 10 30 EGEERP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001733513838 1429722216 /nfs/dbraw/zinc/72/22/16/1429722216.db2.gz OJPXGGIEGCWUBA-HXUWFJFHSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001723617845 1424495719 /nfs/dbraw/zinc/49/57/19/1424495719.db2.gz OLCRKJIUPRGIIK-XUBOLADHSA-N 2 0 347.547 3.329 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001723634760 1424501417 /nfs/dbraw/zinc/50/14/17/1424501417.db2.gz QWTQZOQZWCMKCL-AQNXPRMDSA-N 2 0 347.547 3.140 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001723691804 1424532197 /nfs/dbraw/zinc/53/21/97/1424532197.db2.gz RXFOHOGVUSQINK-TZIWHRDSSA-N 2 0 349.563 3.223 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001723872905 1424593197 /nfs/dbraw/zinc/59/31/97/1424593197.db2.gz GVPHPUTWEDFEHR-YLJYHZDGSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001724300705 1424783989 /nfs/dbraw/zinc/78/39/89/1424783989.db2.gz ITGTZVOQNGFAPZ-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001724610574 1424949930 /nfs/dbraw/zinc/94/99/30/1424949930.db2.gz IQIQHSYZCLNYAY-MUGJNUQGSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCCC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001725066384 1425507933 /nfs/dbraw/zinc/50/79/33/1425507933.db2.gz WCJCBILQUKMYRN-JLAWEPINSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001725227751 1425797144 /nfs/dbraw/zinc/79/71/44/1425797144.db2.gz BLLPVIXRMTYQJV-OALUTQOASA-N 2 0 347.547 3.378 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001725422758 1426075419 /nfs/dbraw/zinc/07/54/19/1426075419.db2.gz AABXTSJJMCVYGI-QGZVFWFLSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001725640790 1426318585 /nfs/dbraw/zinc/31/85/85/1426318585.db2.gz YPIGEDIZBUFDEK-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001725649780 1426332797 /nfs/dbraw/zinc/33/27/97/1426332797.db2.gz BJZQFDIHDWXCOM-XLIONFOSSA-N 2 0 343.515 3.203 10 30 EGEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001725763415 1426444958 /nfs/dbraw/zinc/44/49/58/1426444958.db2.gz VNYYWYVHYVTUGL-MRXNPFEDSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001731291736 1427233828 /nfs/dbraw/zinc/23/38/28/1427233828.db2.gz GLQUASLCRMMFSN-PXNSSMCTSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001731553837 1427577331 /nfs/dbraw/zinc/57/73/31/1427577331.db2.gz YYKPMHNIBAOZCL-OALUTQOASA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001731715591 1427779247 /nfs/dbraw/zinc/77/92/47/1427779247.db2.gz QMXIZBOXXVOPJR-OALUTQOASA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001733898232 1437715582 /nfs/dbraw/zinc/71/55/82/1437715582.db2.gz IFWUEIZSCKBBEF-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001734010411 1437801901 /nfs/dbraw/zinc/80/19/01/1437801901.db2.gz AMIADCDMDOYUKH-ACBHZAAOSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001734089739 1437874349 /nfs/dbraw/zinc/87/43/49/1437874349.db2.gz GTUJFDZPQHDSAU-KRWDZBQOSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001734117228 1437899215 /nfs/dbraw/zinc/89/92/15/1437899215.db2.gz PXPMGOZQOIKWCI-DLBZAZTESA-N 2 0 349.563 3.431 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001734447342 1438107918 /nfs/dbraw/zinc/10/79/18/1438107918.db2.gz ZKLTWZBYFXFRQD-QKNQBKEWSA-N 2 0 347.547 3.330 10 30 EGEERP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1C#N ZINC000174249040 533674332 /nfs/dbraw/zinc/67/43/32/533674332.db2.gz SCMYSALJPDLSAY-UHFFFAOYSA-N 2 0 335.451 3.452 10 30 EGEERP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)C1 ZINC000600716560 460576222 /nfs/dbraw/zinc/57/62/22/460576222.db2.gz HEXHBDJSAGPUPH-YLJYHZDGSA-N 2 0 341.499 3.063 10 30 EGEERP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123316453 454624485 /nfs/dbraw/zinc/62/44/85/454624485.db2.gz WYICOEULDFUFEJ-CALCHBBNSA-N 2 0 339.487 3.054 10 30 EGEERP C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000356216824 457541834 /nfs/dbraw/zinc/54/18/34/457541834.db2.gz CRNMGJFQTIJQDL-UHFFFAOYSA-N 2 0 325.378 3.351 10 30 EGEERP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449548491 458426164 /nfs/dbraw/zinc/42/61/64/458426164.db2.gz NWFPUGFZTGOIRY-WMQCIHAUSA-N 2 0 328.500 3.405 10 30 EGEERP C[NH2+]Cc1ccccc1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000593323969 459842166 /nfs/dbraw/zinc/84/21/66/459842166.db2.gz UVMUYZQGFFBUHJ-UHFFFAOYSA-N 2 0 334.467 3.036 10 30 EGEERP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000651663403 462295024 /nfs/dbraw/zinc/29/50/24/462295024.db2.gz KBXUWVKTNCGMSB-XLIONFOSSA-N 2 0 328.500 3.478 10 30 EGEERP COc1cc(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1C#N ZINC000705661879 1298214971 /nfs/dbraw/zinc/21/49/71/1298214971.db2.gz GYKQWFHSTDICFS-NHCUHLMSSA-N 2 0 347.462 3.131 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000876742253 1298951819 /nfs/dbraw/zinc/95/18/19/1298951819.db2.gz WQPIBRXUFHWGIE-GOSISDBHSA-N 2 0 349.906 3.149 10 30 EGEERP C=CCC[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)[C@@H]1CCCO1 ZINC000883202416 1302301996 /nfs/dbraw/zinc/30/19/96/1302301996.db2.gz AIGJHQARLLCJON-OALUTQOASA-N 2 0 336.520 3.125 10 30 EGEERP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973095 1331281897 /nfs/dbraw/zinc/28/18/97/1331281897.db2.gz RPEZREZYSABICL-OALUTQOASA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2C(C)C)C(C)(C)C1 ZINC000941068285 1331318805 /nfs/dbraw/zinc/31/88/05/1331318805.db2.gz ONFCUSNAUZQYHQ-QGZVFWFLSA-N 2 0 346.519 3.189 10 30 EGEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1CC ZINC001323152421 1387303469 /nfs/dbraw/zinc/30/34/69/1387303469.db2.gz VNHKSFCYZMGKOW-OALUTQOASA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001324505129 1387654722 /nfs/dbraw/zinc/65/47/22/1387654722.db2.gz HDEHXWQRMWSIRL-QUCCMNQESA-N 2 0 349.563 3.482 10 30 EGEERP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001139869706 1377967025 /nfs/dbraw/zinc/96/70/25/1377967025.db2.gz QKUPGRFVASZSIP-HXUWFJFHSA-N 2 0 343.515 3.007 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001274643241 1378131595 /nfs/dbraw/zinc/13/15/95/1378131595.db2.gz IYANYNOZVWMLLI-PKOBYXMFSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001282727150 1378580705 /nfs/dbraw/zinc/58/07/05/1378580705.db2.gz ZPPMDVDGQZXKCM-MSOLQXFVSA-N 2 0 349.563 3.290 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001284293835 1379682425 /nfs/dbraw/zinc/68/24/25/1379682425.db2.gz SHTYFEOELAPMCA-GOSISDBHSA-N 2 0 349.563 3.412 10 30 EGEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC001284297142 1379685356 /nfs/dbraw/zinc/68/53/56/1379685356.db2.gz UDDJAIWXPBGJFZ-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C ZINC001284350463 1379749387 /nfs/dbraw/zinc/74/93/87/1379749387.db2.gz VXSGBPWEZKCYDL-IBGZPJMESA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)CC[N@@H+](C)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001284553637 1379961950 /nfs/dbraw/zinc/96/19/50/1379961950.db2.gz RFDIMBBOWQJXDZ-RBUKOAKNSA-N 2 0 337.552 3.242 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C(C)(C)C ZINC001284614775 1380013704 /nfs/dbraw/zinc/01/37/04/1380013704.db2.gz XYGZWXHSYMWVMB-IBGZPJMESA-N 2 0 345.531 3.101 10 30 EGEERP C=CCCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001317210369 1384989279 /nfs/dbraw/zinc/98/92/79/1384989279.db2.gz XPRPAJXERGHECD-RBUKOAKNSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001317681902 1385390977 /nfs/dbraw/zinc/39/09/77/1385390977.db2.gz OMZQUVXPIOAHLK-MOPGFXCFSA-N 2 0 349.563 3.290 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001318201798 1385628115 /nfs/dbraw/zinc/62/81/15/1385628115.db2.gz SOQWPYADNKUKQD-GBESFXJTSA-N 2 0 335.536 3.116 10 30 EGEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001318991648 1385914745 /nfs/dbraw/zinc/91/47/45/1385914745.db2.gz XAWNVHWTZKNSQN-UHFFFAOYSA-N 2 0 343.515 3.233 10 30 EGEERP CCCCCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001319864225 1386343476 /nfs/dbraw/zinc/34/34/76/1386343476.db2.gz NCKJOZDVYRCMAR-OALUTQOASA-N 2 0 349.563 3.269 10 30 EGEERP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001329240934 1389031958 /nfs/dbraw/zinc/03/19/58/1389031958.db2.gz OLUPPDARGXIGQB-UHFFFAOYSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001479896362 1392464942 /nfs/dbraw/zinc/46/49/42/1392464942.db2.gz PIANBRIIVVDHET-HXUWFJFHSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001480079810 1392569249 /nfs/dbraw/zinc/56/92/49/1392569249.db2.gz PMIYVFORRHKTNG-PMACEKPBSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001480267130 1392651265 /nfs/dbraw/zinc/65/12/65/1392651265.db2.gz GTNZICFJWNYPFL-AZUAARDMSA-N 2 0 343.515 3.084 10 30 EGEERP C=CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001481350549 1393172783 /nfs/dbraw/zinc/17/27/83/1393172783.db2.gz MDVOOLGRIOGHDH-GOSISDBHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001481528173 1394383111 /nfs/dbraw/zinc/38/31/11/1394383111.db2.gz UQHXKSKFIQEKMA-GBESFXJTSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001491175077 1394459123 /nfs/dbraw/zinc/45/91/23/1394459123.db2.gz UBMFYHUPCDWTNS-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001491253506 1394492438 /nfs/dbraw/zinc/49/24/38/1394492438.db2.gz NXDCXBQBYFKJBC-GOSISDBHSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001482439819 1394999886 /nfs/dbraw/zinc/99/98/86/1394999886.db2.gz VZTIODIKGPRQRY-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001482495640 1395047747 /nfs/dbraw/zinc/04/77/47/1395047747.db2.gz RWESNYXWRVMSRO-MJGOQNOKSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001482507892 1395061263 /nfs/dbraw/zinc/06/12/63/1395061263.db2.gz SXGULMAAAJMAGW-UHFFFAOYSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCCC1 ZINC001483815649 1395101128 /nfs/dbraw/zinc/10/11/28/1395101128.db2.gz ZUFWNCCNIWIEPJ-IBGZPJMESA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001485767327 1396144609 /nfs/dbraw/zinc/14/46/09/1396144609.db2.gz XRFYODLSCSXCKP-FQEVSTJZSA-N 2 0 343.515 3.178 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001485768004 1396145097 /nfs/dbraw/zinc/14/50/97/1396145097.db2.gz WOWJJHBLMMHEML-GOSISDBHSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(Cl)C[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001485779146 1396149062 /nfs/dbraw/zinc/14/90/62/1396149062.db2.gz VWTDVXRNZXXTRT-MSOLQXFVSA-N 2 0 349.906 3.060 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001494842880 1396499555 /nfs/dbraw/zinc/49/95/55/1396499555.db2.gz VCWLVAZOEKPXLI-UXHICEINSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001496396643 1396687153 /nfs/dbraw/zinc/68/71/53/1396687153.db2.gz RKMDZGPPLMYNMF-CEXWTWQISA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001690896859 1404805782 /nfs/dbraw/zinc/80/57/82/1404805782.db2.gz JFBLFQKFBWAWBN-SFHVURJKSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC(C)(C)C1 ZINC001691814252 1405528516 /nfs/dbraw/zinc/52/85/16/1405528516.db2.gz URGDLWHWFOCEKV-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001691818464 1405533235 /nfs/dbraw/zinc/53/32/35/1405533235.db2.gz CWVKVVFYKZUPAQ-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP 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 1405917928 /nfs/dbraw/zinc/91/79/28/1405917928.db2.gz CKULQKJVORGDQN-OTWHNJEPSA-N 2 0 349.563 3.099 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001692332977 1405952564 /nfs/dbraw/zinc/95/25/64/1405952564.db2.gz JFPPGWOZZJAVSF-VQTJNVASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001692336407 1405957118 /nfs/dbraw/zinc/95/71/18/1405957118.db2.gz OOXCOOCQWSNYDV-LJQANCHMSA-N 2 0 335.536 3.189 10 30 EGEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001732235605 1428482186 /nfs/dbraw/zinc/48/21/86/1428482186.db2.gz LMMPVXOWAJCYHA-GOSISDBHSA-N 2 0 335.536 3.236 10 30 EGEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCC1 ZINC001732397231 1428564305 /nfs/dbraw/zinc/56/43/05/1428564305.db2.gz RIHMZXGOKKIVCP-KRWDZBQOSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001732493564 1428615637 /nfs/dbraw/zinc/61/56/37/1428615637.db2.gz ODVRVINLXJUEKC-YLJYHZDGSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001732529341 1428649764 /nfs/dbraw/zinc/64/97/64/1428649764.db2.gz CZQKZUYWYXHKHB-FXAWDEMLSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCCCC1 ZINC001699685206 1413083455 /nfs/dbraw/zinc/08/34/55/1413083455.db2.gz IQPCZZMJSNQDKV-HXUWFJFHSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001699714181 1413127347 /nfs/dbraw/zinc/12/73/47/1413127347.db2.gz BOGIQKICVFBUSK-ZWKOTPCHSA-N 2 0 347.547 3.138 10 30 EGEERP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001699805627 1413220019 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PYJQKIITJVDHDW-AZUAARDMSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001717037401 1421091560 /nfs/dbraw/zinc/09/15/60/1421091560.db2.gz KYTATCDIOBFUNL-CEXWTWQISA-N 2 0 335.536 3.138 10 30 EGEERP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001733287697 1429463159 /nfs/dbraw/zinc/46/31/59/1429463159.db2.gz RJGQLMWMJRQRMS-TZIWHRDSSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001717523161 1421459073 /nfs/dbraw/zinc/45/90/73/1421459073.db2.gz HGBNPTBQNHFHCX-GOSISDBHSA-N 2 0 335.536 3.234 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001717536161 1421473595 /nfs/dbraw/zinc/47/35/95/1421473595.db2.gz FJLQNKFYCAGOGP-MOPGFXCFSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001717583978 1421510917 /nfs/dbraw/zinc/51/09/17/1421510917.db2.gz OLMVQWLJPFNETH-GOSISDBHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001717629254 1421538466 /nfs/dbraw/zinc/53/84/66/1421538466.db2.gz OKDOEDMETSQGNL-UHFFFAOYSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001733419161 1429624129 /nfs/dbraw/zinc/62/41/29/1429624129.db2.gz TYBXEXVLTNWJBI-OAQYLSRUSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001733449109 1429659957 /nfs/dbraw/zinc/65/99/57/1429659957.db2.gz XHHZQEHPYBFPBG-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001724285968 1424775841 /nfs/dbraw/zinc/77/58/41/1424775841.db2.gz XHSLJUSVKJZGDK-SFHVURJKSA-N 2 0 347.547 3.045 10 30 EGEERP 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 1429766441 /nfs/dbraw/zinc/76/64/41/1429766441.db2.gz GAYHQNQOECGBOM-UJMXGEILSA-N 2 0 347.547 3.042 10 30 EGEERP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001724615176 1424961882 /nfs/dbraw/zinc/96/18/82/1424961882.db2.gz WRCQMCFFYDJIFF-REPLKXPHSA-N 2 0 347.547 3.186 10 30 EGEERP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@@H+](C)C3CCCCC3)C[C@H]2C1 ZINC001725335992 1425981899 /nfs/dbraw/zinc/98/18/99/1425981899.db2.gz LTSKKCKNMHIFDC-FHWLQOOXSA-N 2 0 347.547 3.044 10 30 EGEERP CCCCCCC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001731351966 1427291129 /nfs/dbraw/zinc/29/11/29/1427291129.db2.gz IPLGHDFGZDUKPD-GOSISDBHSA-N 2 0 337.552 3.221 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001731470529 1427450864 /nfs/dbraw/zinc/45/08/64/1427450864.db2.gz JLZNTWXMELJHHB-UXHICEINSA-N 2 0 347.547 3.142 10 30 EGEERP CCCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001731536969 1427535705 /nfs/dbraw/zinc/53/57/05/1427535705.db2.gz PLYSLWZMUVJILC-UXHICEINSA-N 2 0 349.563 3.269 10 30 EGEERP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001733682905 1429896122 /nfs/dbraw/zinc/89/61/22/1429896122.db2.gz BEAOOJUFBUAPKE-KRWDZBQOSA-N 2 0 343.515 3.260 10 30 EGEERP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001733805606 1430076185 /nfs/dbraw/zinc/07/61/85/1430076185.db2.gz UMJCZTMHQPBIAW-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001733807013 1430078375 /nfs/dbraw/zinc/07/83/75/1430078375.db2.gz JFZXGJBLRJNMFX-UHFFFAOYSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001733897186 1437715141 /nfs/dbraw/zinc/71/51/41/1437715141.db2.gz CLTNIOKXBVAQLI-DOTOQJQBSA-N 2 0 349.544 3.359 10 30 EGEERP C=CCCC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001734012987 1437804159 /nfs/dbraw/zinc/80/41/59/1437804159.db2.gz GJMSDEDRWUKUJE-UHFFFAOYSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C(C)(C)C ZINC001734562630 1438159449 /nfs/dbraw/zinc/15/94/49/1438159449.db2.gz CVILWHIFONGFOI-GOSISDBHSA-N 2 0 342.487 3.343 10 30 EGEERP C=CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001750945563 1440118520 /nfs/dbraw/zinc/11/85/20/1440118520.db2.gz SEOMPKAOSJNEHI-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP N#Cc1cccc(C[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000069490714 203008317 /nfs/dbraw/zinc/00/83/17/203008317.db2.gz KWWUQZVCFDEYEB-JOCHJYFZSA-N 2 0 349.478 3.093 10 30 EGEERP N#Cc1cccc(OCCC[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000171139496 144001607 /nfs/dbraw/zinc/00/16/07/144001607.db2.gz LJDMYCBYQICBKX-UHFFFAOYSA-N 2 0 327.472 3.135 10 30 EGEERP C=CCOc1ccccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735032 454731367 /nfs/dbraw/zinc/73/13/67/454731367.db2.gz ZXTJRILWYNAZEH-UHFFFAOYSA-N 2 0 344.499 3.328 10 30 EGEERP C#CCOc1ccccc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000115623848 455023626 /nfs/dbraw/zinc/02/36/26/455023626.db2.gz YBJXVDZPHZUWGX-UHFFFAOYSA-N 2 0 326.415 3.189 10 30 EGEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000424291550 458604845 /nfs/dbraw/zinc/60/48/45/458604845.db2.gz DPYRRCUKBLQHAF-KGWSWXIGSA-N 2 0 340.511 3.468 10 30 EGEERP C[N@@H+]1CCCC[C@@H](CNCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000598994306 460119986 /nfs/dbraw/zinc/11/99/86/460119986.db2.gz JJTQRUVKYZNDJU-AWEZNQCLSA-N 2 0 325.378 3.399 10 30 EGEERP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC2CCCCC2)[C@H]1c1cccs1 ZINC000252486424 1296461472 /nfs/dbraw/zinc/46/14/72/1296461472.db2.gz JYOLFIDLWONDII-YOEHRIQHSA-N 2 0 334.533 3.368 10 30 EGEERP C=CCc1cc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc(OC)c1O ZINC000873223447 1297364646 /nfs/dbraw/zinc/36/46/46/1297364646.db2.gz NPAXSWFUFVQYKS-FQEVSTJZSA-N 2 0 332.488 3.326 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001324642909 1387715927 /nfs/dbraw/zinc/71/59/27/1387715927.db2.gz ZLGXYHWJDJLCSC-BJLQDIEVSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001324893416 1387808515 /nfs/dbraw/zinc/80/85/15/1387808515.db2.gz SCTRLUXDWJXKHJ-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001326457654 1388196807 /nfs/dbraw/zinc/19/68/07/1388196807.db2.gz DGVKXOQXAFHZHN-UHFFFAOYSA-N 2 0 348.450 3.191 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001327162525 1388415563 /nfs/dbraw/zinc/41/55/63/1388415563.db2.gz JMGUHDRPYUMVRK-CTNGQTDRSA-N 2 0 349.563 3.413 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001265436579 1377152587 /nfs/dbraw/zinc/15/25/87/1377152587.db2.gz KMDBPRPGZQFCQQ-SJORKVTESA-N 2 0 335.536 3.185 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001272271276 1377663635 /nfs/dbraw/zinc/66/36/35/1377663635.db2.gz LVMKAHVGHABPDY-RDJZCZTQSA-N 2 0 349.544 3.264 10 30 EGEERP C=CCCCCC[NH2+]C1(CC)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001327488654 1388533968 /nfs/dbraw/zinc/53/39/68/1388533968.db2.gz 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RNTSDOUIIHTCRX-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001699625228 1412991275 /nfs/dbraw/zinc/99/12/75/1412991275.db2.gz AYFWUIQTQGKLJW-KRWDZBQOSA-N 2 0 340.471 3.193 10 30 EGEERP C=CCCCCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001699694257 1413101888 /nfs/dbraw/zinc/10/18/88/1413101888.db2.gz FGLLQHRCKNJPSR-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001699752069 1413159872 /nfs/dbraw/zinc/15/98/72/1413159872.db2.gz MBOUCBJDXRUBNB-SFHVURJKSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001700293886 1413751436 /nfs/dbraw/zinc/75/14/36/1413751436.db2.gz KLJMPZDLTADMSW-RTBURBONSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001700341016 1413822162 /nfs/dbraw/zinc/82/21/62/1413822162.db2.gz HIBGXMGZHSQBEJ-PMACEKPBSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001700356300 1413858686 /nfs/dbraw/zinc/85/86/86/1413858686.db2.gz GUVVWHHGDUEYND-UXHICEINSA-N 2 0 347.547 3.282 10 30 EGEERP C=CC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CCCCC2)CCCCC1 ZINC001700513901 1414164400 /nfs/dbraw/zinc/16/44/00/1414164400.db2.gz IQDQEQWMJCNUAH-UHFFFAOYSA-N 2 0 335.536 3.093 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC001701032446 1414696479 /nfs/dbraw/zinc/69/64/79/1414696479.db2.gz YTMDLJGXLZRDCU-KRWDZBQOSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCCCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001701033041 1414697574 /nfs/dbraw/zinc/69/75/74/1414697574.db2.gz WSOXOSKOGRVRLW-GOSISDBHSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001713101341 1417654583 /nfs/dbraw/zinc/65/45/83/1417654583.db2.gz RQTDMPXBOYOKON-ICSRJNTNSA-N 2 0 347.547 3.282 10 30 EGEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001713117251 1417682289 /nfs/dbraw/zinc/68/22/89/1417682289.db2.gz ROWXBPVJSSXAID-PMACEKPBSA-N 2 0 347.547 3.234 10 30 EGEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001713136814 1417718997 /nfs/dbraw/zinc/71/89/97/1417718997.db2.gz NTXKRSMKHDAJDL-KRWDZBQOSA-N 2 0 347.503 3.091 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713232671 1417819396 /nfs/dbraw/zinc/81/93/96/1417819396.db2.gz BURRFVRRECBFHW-QUCCMNQESA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713252308 1417844964 /nfs/dbraw/zinc/84/49/64/1417844964.db2.gz WCIIBPZQKWUVFA-UXHICEINSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001713259476 1417867264 /nfs/dbraw/zinc/86/72/64/1417867264.db2.gz UFJYHHMWRPAVRZ-WOJBJXKFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001713766455 1418580679 /nfs/dbraw/zinc/58/06/79/1418580679.db2.gz AFHQISKCSDPYKT-VQTJNVASSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001713934288 1418724164 /nfs/dbraw/zinc/72/41/64/1418724164.db2.gz PHMAWLGLLGVTGO-UFYCRDLUSA-N 2 0 347.547 3.138 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001733180845 1429282737 /nfs/dbraw/zinc/28/27/37/1429282737.db2.gz MIQJJEGDIBLKHQ-UXHICEINSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001714146664 1418951358 /nfs/dbraw/zinc/95/13/58/1418951358.db2.gz ZPQZWSCWILZNIA-PMACEKPBSA-N 2 0 347.547 3.284 10 30 EGEERP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001714326149 1419105603 /nfs/dbraw/zinc/10/56/03/1419105603.db2.gz MUBUEXLCCRPJFO-IBGZPJMESA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001714330448 1419109654 /nfs/dbraw/zinc/10/96/54/1419109654.db2.gz LPBOGOCNIMSTRB-UXHICEINSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714440158 1419171856 /nfs/dbraw/zinc/17/18/56/1419171856.db2.gz HLOYUXYPRDDNBO-GOSISDBHSA-N 2 0 340.471 3.145 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001715094439 1419835117 /nfs/dbraw/zinc/83/51/17/1419835117.db2.gz PEQUALZKYAAMBT-FXAWDEMLSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001715094987 1419835617 /nfs/dbraw/zinc/83/56/17/1419835617.db2.gz SJBMVJQBJBPYSV-WMZOPIPTSA-N 2 0 347.503 3.138 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716062394 1420522638 /nfs/dbraw/zinc/52/26/38/1420522638.db2.gz UUMWFIBCFYQABY-ROUUACIJSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001716709214 1420862760 /nfs/dbraw/zinc/86/27/60/1420862760.db2.gz MAQPBZALNTWVQL-IHWFROFDSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001716712776 1420865463 /nfs/dbraw/zinc/86/54/63/1420865463.db2.gz XSFSPFQWYBCCMU-QRVBRYPASA-N 2 0 335.536 3.138 10 30 EGEERP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001717241788 1421210447 /nfs/dbraw/zinc/21/04/47/1421210447.db2.gz ZLCCSDLOCQKNIJ-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001717377510 1421320376 /nfs/dbraw/zinc/32/03/76/1421320376.db2.gz LHVULPHJBOOVMC-FQEVSTJZSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001717526461 1421461897 /nfs/dbraw/zinc/46/18/97/1421461897.db2.gz DCYTXKLFHOUXOM-ZWKOTPCHSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001717589104 1421518159 /nfs/dbraw/zinc/51/81/59/1421518159.db2.gz LXSBNEXXHSVVCT-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001717624390 1421533399 /nfs/dbraw/zinc/53/33/99/1421533399.db2.gz QRLZOHXJYYBEMT-ZCNNSNEGSA-N 2 0 349.563 3.269 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001733333171 1429518258 /nfs/dbraw/zinc/51/82/58/1429518258.db2.gz LUIQNZYMOSFLJT-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001733436533 1429644146 /nfs/dbraw/zinc/64/41/46/1429644146.db2.gz ATESCGRZYOHKGH-UYAOXDASSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001733453865 1429668674 /nfs/dbraw/zinc/66/86/74/1429668674.db2.gz XTPBMKACFHAREU-IBGZPJMESA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001722944275 1424270711 /nfs/dbraw/zinc/27/07/11/1424270711.db2.gz LKMPKURTUYXCJN-QZTJIDSGSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001723625405 1424497053 /nfs/dbraw/zinc/49/70/53/1424497053.db2.gz VDKJXFLZKWMMMN-NXEWRWPSSA-N 2 0 347.547 3.185 10 30 EGEERP C=C(C)C[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CCCCCC1 ZINC001723641366 1424510414 /nfs/dbraw/zinc/51/04/14/1424510414.db2.gz ZXIMVOLSQXOSEK-UHFFFAOYSA-N 2 0 349.563 3.435 10 30 EGEERP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001723649588 1424514433 /nfs/dbraw/zinc/51/44/33/1424514433.db2.gz RSBAJJGIXPQUKU-FQEVSTJZSA-N 2 0 347.547 3.138 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001723689676 1424530515 /nfs/dbraw/zinc/53/05/15/1424530515.db2.gz AQDZXGQWIUHERO-PZJWPPBQSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001723691070 1424532209 /nfs/dbraw/zinc/53/22/09/1424532209.db2.gz MNOFRKGDOMEJOP-FPOVZHCZSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001723964578 1424612657 /nfs/dbraw/zinc/61/26/57/1424612657.db2.gz UJTFVDDBBOHIIH-ROUUACIJSA-N 2 0 349.906 3.013 10 30 EGEERP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001724271875 1424766677 /nfs/dbraw/zinc/76/66/77/1424766677.db2.gz FIFSIHCZAGEUSS-FPOVZHCZSA-N 2 0 349.563 3.291 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001724652265 1425014383 /nfs/dbraw/zinc/01/43/83/1425014383.db2.gz RKJQVZNMIPEHLT-OALUTQOASA-N 2 0 335.536 3.118 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001724974133 1425376937 /nfs/dbraw/zinc/37/69/37/1425376937.db2.gz MXSDUTKXWQEULZ-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC001725676060 1426362012 /nfs/dbraw/zinc/36/20/12/1426362012.db2.gz NSRMLJBFYKPENC-FHWLQOOXSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001725786199 1426471664 /nfs/dbraw/zinc/47/16/64/1426471664.db2.gz JUQPMPGEJCDNLP-ABHNRTSZSA-N 2 0 349.906 3.011 10 30 EGEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001731296604 1427239716 /nfs/dbraw/zinc/23/97/16/1427239716.db2.gz YGWKIULKGYTZHQ-MJGOQNOKSA-N 2 0 335.536 3.042 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001731503320 1427485455 /nfs/dbraw/zinc/48/54/55/1427485455.db2.gz LKCSUCMRBJMVRG-QUCCMNQESA-N 2 0 349.563 3.127 10 30 EGEERP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001733814579 1430095456 /nfs/dbraw/zinc/09/54/56/1430095456.db2.gz RKNNCKZUZOKEIH-FPOVZHCZSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)C[NH+]1Cc2ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc2C1 ZINC001733835719 1430107629 /nfs/dbraw/zinc/10/76/29/1430107629.db2.gz JCKGPCQKYNZXHH-UHFFFAOYSA-N 2 0 343.515 3.172 10 30 EGEERP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CCC)CC2)CC1 ZINC001733910822 1437729120 /nfs/dbraw/zinc/72/91/20/1437729120.db2.gz CHTLCPCHSXHESJ-UHFFFAOYSA-N 2 0 349.563 3.389 10 30 EGEERP C=C(Cl)C[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001734088354 1437873563 /nfs/dbraw/zinc/87/35/63/1437873563.db2.gz RMYKFYQAKCANEP-INIZCTEOSA-N 2 0 341.927 3.022 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001734105382 1437891490 /nfs/dbraw/zinc/89/14/90/1437891490.db2.gz DXBAZTKCBWXXPX-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001734105426 1437891880 /nfs/dbraw/zinc/89/18/80/1437891880.db2.gz FRPOELMLFFWDRL-UXHICEINSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001734151279 1437918972 /nfs/dbraw/zinc/91/89/72/1437918972.db2.gz ZOVPDOMUGGMKOU-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001734199538 1437940870 /nfs/dbraw/zinc/94/08/70/1437940870.db2.gz VBYBSXWONNJJBY-UHFFFAOYSA-N 2 0 347.547 3.143 10 30 EGEERP C=C(C)C[NH+](C)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001734270171 1437998492 /nfs/dbraw/zinc/99/84/92/1437998492.db2.gz AKXIYHBHFBGLNZ-UHFFFAOYSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001734579212 1438171739 /nfs/dbraw/zinc/17/17/39/1438171739.db2.gz QDNGDLCGEJHOPE-GNBUJSLZSA-N 2 0 349.563 3.288 10 30 EGEERP CC1CC[NH+](Cc2ccccc2C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600716473 460576560 /nfs/dbraw/zinc/57/65/60/460576560.db2.gz GNSRDNYLLMBDOM-FQEVSTJZSA-N 2 0 341.499 3.063 10 30 EGEERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)CCC#N)cc2)[C@H](C)C1 ZINC000093639360 454724783 /nfs/dbraw/zinc/72/47/83/454724783.db2.gz MJANFFNIKKWQMP-XLIONFOSSA-N 2 0 328.504 3.199 10 30 EGEERP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1F ZINC000358567020 458081192 /nfs/dbraw/zinc/08/11/92/458081192.db2.gz ITJQTDZPHHCGCN-OAHLLOKOSA-N 2 0 341.430 3.489 10 30 EGEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000424291546 458605494 /nfs/dbraw/zinc/60/54/94/458605494.db2.gz DPYRRCUKBLQHAF-ITBHCLRTSA-N 2 0 340.511 3.468 10 30 EGEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000595060299 459232297 /nfs/dbraw/zinc/23/22/97/459232297.db2.gz GIPSTRXCQVDGGU-UWJYYQICSA-N 2 0 342.531 3.187 10 30 EGEERP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528403084 459805553 /nfs/dbraw/zinc/80/55/53/459805553.db2.gz IGEKVPPPDWXWGD-HKUYNNGSSA-N 2 0 333.520 3.018 10 30 EGEERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597022501 459819332 /nfs/dbraw/zinc/81/93/32/459819332.db2.gz UHPGQIPNZDLZOW-HXUWFJFHSA-N 2 0 341.499 3.174 10 30 EGEERP Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1C#N ZINC000599367425 460240263 /nfs/dbraw/zinc/24/02/63/460240263.db2.gz VVQHBBAFNUSZEL-UHFFFAOYSA-N 2 0 341.499 3.191 10 30 EGEERP C=CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000883172484 1302284485 /nfs/dbraw/zinc/28/44/85/1302284485.db2.gz IJSUULGLTDRVOL-CTNGQTDRSA-N 2 0 329.532 3.180 10 30 EGEERP C#Cc1ccc(NC(=O)CC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000929504835 1328619486 /nfs/dbraw/zinc/61/94/86/1328619486.db2.gz BQHLKSIUQTWWDP-UHFFFAOYSA-N 2 0 341.499 3.049 10 30 EGEERP C[C@@]1(C#N)CC[N@H+](CC[Si](C)(C)CC[NH+]2CC[C@](C)(C#N)C2)C1 ZINC000859358502 1328974768 /nfs/dbraw/zinc/97/47/68/1328974768.db2.gz GVNILAQFBNTWMY-HDICACEKSA-N 2 0 332.568 3.166 10 30 EGEERP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941075277 1331321431 /nfs/dbraw/zinc/32/14/31/1331321431.db2.gz JZQXRMOTSCWOJB-ZWKOTPCHSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001324740091 1387758570 /nfs/dbraw/zinc/75/85/70/1387758570.db2.gz FWZTWRSPKBTKJD-FPOVZHCZSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001325364742 1387950073 /nfs/dbraw/zinc/95/00/73/1387950073.db2.gz YSDSNCVPCHEPPS-HXUWFJFHSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001325920428 1388084008 /nfs/dbraw/zinc/08/40/08/1388084008.db2.gz KQTCLUDZTMIZLI-XUVXKRRUSA-N 2 0 347.547 3.281 10 30 EGEERP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001326495654 1388220036 /nfs/dbraw/zinc/22/00/36/1388220036.db2.gz WZDZWCLTOIOTOJ-HDICACEKSA-N 2 0 343.515 3.184 10 30 EGEERP C=CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001326760829 1388302518 /nfs/dbraw/zinc/30/25/18/1388302518.db2.gz RAOHOLFAVYECNK-CTNGQTDRSA-N 2 0 347.547 3.189 10 30 EGEERP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267047178 1377408241 /nfs/dbraw/zinc/40/82/41/1377408241.db2.gz IGFMGLGEQYNSRS-GOSISDBHSA-N 2 0 335.536 3.023 10 30 EGEERP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001267563731 1377458009 /nfs/dbraw/zinc/45/80/09/1377458009.db2.gz DSBVPPUIHDCSER-ICSRJNTNSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001267563730 1377458131 /nfs/dbraw/zinc/45/81/31/1377458131.db2.gz DSBVPPUIHDCSER-AZUAARDMSA-N 2 0 347.547 3.188 10 30 EGEERP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001271790728 1377652172 /nfs/dbraw/zinc/65/21/72/1377652172.db2.gz QGEFOUBEEFEOJS-FQEVSTJZSA-N 2 0 349.563 3.243 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001274643238 1378131289 /nfs/dbraw/zinc/13/12/89/1378131289.db2.gz IYANYNOZVWMLLI-HKUYNNGSSA-N 2 0 337.552 3.268 10 30 EGEERP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCCC1 ZINC001282619546 1378518969 /nfs/dbraw/zinc/51/89/69/1378518969.db2.gz WXKZKNSZKWZNQK-SFHVURJKSA-N 2 0 335.536 3.093 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001282727156 1378580724 /nfs/dbraw/zinc/58/07/24/1378580724.db2.gz ZPPMDVDGQZXKCM-ROUUACIJSA-N 2 0 349.563 3.290 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001284067821 1379425626 /nfs/dbraw/zinc/42/56/26/1379425626.db2.gz CGMHLWJWNYAXEI-NLWGTHIKSA-N 2 0 335.536 3.022 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001284100161 1379469637 /nfs/dbraw/zinc/46/96/37/1379469637.db2.gz DUOZZBPLLFLXBP-VAMGGRTRSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001284599628 1380000164 /nfs/dbraw/zinc/00/01/64/1380000164.db2.gz VYNRABKDXFAUSB-RBUKOAKNSA-N 2 0 349.563 3.480 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001328099732 1388671462 /nfs/dbraw/zinc/67/14/62/1388671462.db2.gz XVMOJRFMFYGYRR-RTBURBONSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001316670536 1384514075 /nfs/dbraw/zinc/51/40/75/1384514075.db2.gz PGBZUUAGWDADTI-RTBURBONSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001316812558 1384611953 /nfs/dbraw/zinc/61/19/53/1384611953.db2.gz YKEGMBKLHCPXRG-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001317002909 1384761310 /nfs/dbraw/zinc/76/13/10/1384761310.db2.gz QUJDJWWTVQAGMI-LJQANCHMSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317036515 1384807669 /nfs/dbraw/zinc/80/76/69/1384807669.db2.gz GBSGRYHNEXVEHR-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317039785 1384812633 /nfs/dbraw/zinc/81/26/33/1384812633.db2.gz UWPCIGYMFYXKFC-IBGZPJMESA-N 2 0 349.563 3.245 10 30 EGEERP C=C(C)C[NH2+]C[C@@]1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC[C@H]1C ZINC001318742191 1385849454 /nfs/dbraw/zinc/84/94/54/1385849454.db2.gz AMRJDYWGMLKJTD-XLIONFOSSA-N 2 0 337.552 3.195 10 30 EGEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001318998937 1385917976 /nfs/dbraw/zinc/91/79/76/1385917976.db2.gz OIGSIQWGTMEUEH-UHFFFAOYSA-N 2 0 343.515 3.233 10 30 EGEERP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001698683336 1406330731 /nfs/dbraw/zinc/33/07/31/1406330731.db2.gz OCNXTRJSOUKNBL-WOJBJXKFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001698719881 1406364843 /nfs/dbraw/zinc/36/48/43/1406364843.db2.gz KGVLLQBJKVASBT-PMACEKPBSA-N 2 0 343.515 3.089 10 30 EGEERP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001329937070 1389265975 /nfs/dbraw/zinc/26/59/75/1389265975.db2.gz KQQDPDDPASMOOR-HXUWFJFHSA-N 2 0 347.547 3.025 10 30 EGEERP C=CCCC[N@H+]1CC=C(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001333419637 1390300674 /nfs/dbraw/zinc/30/06/74/1390300674.db2.gz MCGLEMOCTFJFDD-UHFFFAOYSA-N 2 0 341.499 3.076 10 30 EGEERP C#CCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001335583866 1390705911 /nfs/dbraw/zinc/70/59/11/1390705911.db2.gz SIECHJCGQQKCJN-ZCNNSNEGSA-N 2 0 326.484 3.251 10 30 EGEERP C#CCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001335583861 1390706098 /nfs/dbraw/zinc/70/60/98/1390706098.db2.gz SIECHJCGQQKCJN-UFYCRDLUSA-N 2 0 326.484 3.251 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001479692918 1392323787 /nfs/dbraw/zinc/32/37/87/1392323787.db2.gz SLGFTKQZYCZFBR-GOSISDBHSA-N 2 0 337.552 3.291 10 30 EGEERP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001480267131 1392651391 /nfs/dbraw/zinc/65/13/91/1392651391.db2.gz GTNZICFJWNYPFL-ICSRJNTNSA-N 2 0 343.515 3.084 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001481335214 1393166056 /nfs/dbraw/zinc/16/60/56/1393166056.db2.gz SASFKBWSXDIDSB-PKOBYXMFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001490454781 1394232555 /nfs/dbraw/zinc/23/25/55/1394232555.db2.gz LCLINACAEKFPJI-XLIONFOSSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001490798868 1394348900 /nfs/dbraw/zinc/34/89/00/1394348900.db2.gz MMWPQDMSICZGJA-BGYRXZFFSA-N 2 0 341.499 3.003 10 30 EGEERP CCCCCCC[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001481632957 1394425594 /nfs/dbraw/zinc/42/55/94/1394425594.db2.gz OKDZJZONQWQVLX-UHFFFAOYSA-N 2 0 342.487 3.275 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001482044336 1394706205 /nfs/dbraw/zinc/70/62/05/1394706205.db2.gz SZCABYARWLZPDQ-FQEVSTJZSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)CC2 ZINC001482246746 1394844057 /nfs/dbraw/zinc/84/40/57/1394844057.db2.gz QWYRVVRZOSDYQR-OALUTQOASA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001484161336 1395296313 /nfs/dbraw/zinc/29/63/13/1395296313.db2.gz VCYCBNMLDAQUAH-PZJWPPBQSA-N 2 0 347.547 3.188 10 30 EGEERP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001485436685 1395904279 /nfs/dbraw/zinc/90/42/79/1395904279.db2.gz HRQCZLWMSTXBGI-VQTJNVASSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001486203043 1396182051 /nfs/dbraw/zinc/18/20/51/1396182051.db2.gz TUXNWQGCBZRSDI-WBVHZDCISA-N 2 0 349.544 3.264 10 30 EGEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001493828063 1396343368 /nfs/dbraw/zinc/34/33/68/1396343368.db2.gz SLBPFQCRWWTITA-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001494907575 1396508595 /nfs/dbraw/zinc/50/85/95/1396508595.db2.gz VHXNCZZVJRJHEW-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CCC)CC2 ZINC001495974659 1396584239 /nfs/dbraw/zinc/58/42/39/1396584239.db2.gz YDGDDTUIXIQTMF-OALUTQOASA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001689271307 1397005667 /nfs/dbraw/zinc/00/56/67/1397005667.db2.gz GXKOAHDVGJDHGK-VQTJNVASSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001689271306 1397006029 /nfs/dbraw/zinc/00/60/29/1397006029.db2.gz GXKOAHDVGJDHGK-UXHICEINSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)CC(C)(C)C1 ZINC001689365691 1403706813 /nfs/dbraw/zinc/70/68/13/1403706813.db2.gz LAQROXLEAWWKNG-ROUUACIJSA-N 2 0 337.552 3.290 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001690213642 1404421598 /nfs/dbraw/zinc/42/15/98/1404421598.db2.gz IMSPRASSUHYTTJ-RLLQIKCJSA-N 2 0 347.547 3.137 10 30 EGEERP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690777132 1404725224 /nfs/dbraw/zinc/72/52/24/1404725224.db2.gz HUQFLHVKYCRHKW-ROUUACIJSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001691151046 1405084875 /nfs/dbraw/zinc/08/48/75/1405084875.db2.gz DTLJMQAECDOFKP-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691226629 1405166498 /nfs/dbraw/zinc/16/64/98/1405166498.db2.gz ZCMWDYFQBIGDAB-ZWKOTPCHSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001691823082 1405539611 /nfs/dbraw/zinc/53/96/11/1405539611.db2.gz JCHIEXCQMLZBNV-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001692121095 1405783530 /nfs/dbraw/zinc/78/35/30/1405783530.db2.gz NMODUUOHDRULGB-MOPGFXCFSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001698587295 1406204995 /nfs/dbraw/zinc/20/49/95/1406204995.db2.gz VBEPLXBNNJHNPR-SLFFLAALSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001732491772 1428614738 /nfs/dbraw/zinc/61/47/38/1428614738.db2.gz RBVWTZRFZOXUIZ-RTBURBONSA-N 2 0 347.547 3.188 10 30 EGEERP CC#CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001699683389 1413078034 /nfs/dbraw/zinc/07/80/34/1413078034.db2.gz JNQHQNCILYNSQC-LJQANCHMSA-N 2 0 347.547 3.025 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001699769574 1413175533 /nfs/dbraw/zinc/17/55/33/1413175533.db2.gz XKUFFYMKESCQCR-QZTJIDSGSA-N 2 0 335.536 3.185 10 30 EGEERP C=CCCC[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001699822168 1413243596 /nfs/dbraw/zinc/24/35/96/1413243596.db2.gz CMEGDWWZBZVAPS-FQEVSTJZSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001699875211 1413330043 /nfs/dbraw/zinc/33/00/43/1413330043.db2.gz SXTGDVQJDPWLEA-UYAOXDASSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001700091823 1413505374 /nfs/dbraw/zinc/50/53/74/1413505374.db2.gz PJWVMAGWLBYTOC-XLIONFOSSA-N 2 0 343.515 3.041 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001700200331 1413643044 /nfs/dbraw/zinc/64/30/44/1413643044.db2.gz GBBKOTFYTJDZPH-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001700354732 1413854306 /nfs/dbraw/zinc/85/43/06/1413854306.db2.gz UUKNFOLDNJDRMQ-OALUTQOASA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001700576420 1414251305 /nfs/dbraw/zinc/25/13/05/1414251305.db2.gz NVOVRYVOMZGFCD-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC001700855172 1414502947 /nfs/dbraw/zinc/50/29/47/1414502947.db2.gz CINCPQOQQZOPEF-SJLPKXTDSA-N 2 0 347.503 3.280 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001700883227 1414540960 /nfs/dbraw/zinc/54/09/60/1414540960.db2.gz RESZZJCUJHBQRK-WOJBJXKFSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001732630887 1428893101 /nfs/dbraw/zinc/89/31/01/1428893101.db2.gz NNZUHRMADPWNRJ-MOPGFXCFSA-N 2 0 349.563 3.339 10 30 EGEERP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001713096695 1417646160 /nfs/dbraw/zinc/64/61/60/1417646160.db2.gz DOFFHKDOUIMAHU-RTBURBONSA-N 2 0 349.563 3.269 10 30 EGEERP CCCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001713395012 1418010498 /nfs/dbraw/zinc/01/04/98/1418010498.db2.gz ZTSQHOFSOJWWDT-RTBURBONSA-N 2 0 337.552 3.364 10 30 EGEERP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001713433997 1418063037 /nfs/dbraw/zinc/06/30/37/1418063037.db2.gz AKKZPBIHVYJEBF-QGZVFWFLSA-N 2 0 340.471 3.193 10 30 EGEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001713681216 1418432901 /nfs/dbraw/zinc/43/29/01/1418432901.db2.gz CKIMTAJDLXRQCN-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713728992 1418512525 /nfs/dbraw/zinc/51/25/25/1418512525.db2.gz SBRKZTQRMGUQSW-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001713767344 1418582114 /nfs/dbraw/zinc/58/21/14/1418582114.db2.gz QLKILNSZWUXGLI-HXUWFJFHSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001713891364 1418687816 /nfs/dbraw/zinc/68/78/16/1418687816.db2.gz HUFBNWHWIWELKH-WOJBJXKFSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001713910995 1418707437 /nfs/dbraw/zinc/70/74/37/1418707437.db2.gz XDFDMURQXJDUHV-OKYOBFRVSA-N 2 0 335.536 3.137 10 30 EGEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001714081703 1418875622 /nfs/dbraw/zinc/87/56/22/1418875622.db2.gz WUZXRUQTVOCSLW-QUCCMNQESA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001715094440 1419835235 /nfs/dbraw/zinc/83/52/35/1419835235.db2.gz PEQUALZKYAAMBT-PXNSSMCTSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001715183621 1419916924 /nfs/dbraw/zinc/91/69/24/1419916924.db2.gz QIZJOELBDXMXMS-QWFCFKBJSA-N 2 0 347.547 3.377 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001715186711 1419919087 /nfs/dbraw/zinc/91/90/87/1419919087.db2.gz ITQWMAXIYDBDRU-WGSAOQKQSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[NH+]1CCC(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001715205041 1419938949 /nfs/dbraw/zinc/93/89/49/1419938949.db2.gz ZCASNFRBRJNZAQ-FQEVSTJZSA-N 2 0 349.563 3.291 10 30 EGEERP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001715479348 1420157534 /nfs/dbraw/zinc/15/75/34/1420157534.db2.gz VYVXJOWOIVGNOX-AEFFLSMTSA-N 2 0 347.503 3.138 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)CCC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001715484669 1420164789 /nfs/dbraw/zinc/16/47/89/1420164789.db2.gz KKLXFRDULXNOAK-QUCCMNQESA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001715933053 1420405193 /nfs/dbraw/zinc/40/51/93/1420405193.db2.gz LTMBFHAWOVLIOT-IBGZPJMESA-N 2 0 335.536 3.140 10 30 EGEERP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001716513500 1420743688 /nfs/dbraw/zinc/74/36/88/1420743688.db2.gz CQFKTVDJLHRZLC-FUHWJXTLSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001716796714 1420929481 /nfs/dbraw/zinc/92/94/81/1420929481.db2.gz HJUAUSFJKHBYDC-QGZVFWFLSA-N 2 0 337.552 3.290 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001717092912 1421106295 /nfs/dbraw/zinc/10/62/95/1421106295.db2.gz GYZKJKSDCFIKTO-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001717112380 1421115853 /nfs/dbraw/zinc/11/58/53/1421115853.db2.gz FGCDZDODYAWIOW-HXUWFJFHSA-N 2 0 343.515 3.185 10 30 EGEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001717117770 1421122408 /nfs/dbraw/zinc/12/24/08/1421122408.db2.gz CFUCMWCAOWDNGD-UTKZUKDTSA-N 2 0 341.499 3.015 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001717128022 1421129358 /nfs/dbraw/zinc/12/93/58/1421129358.db2.gz LQTHDADXLPTJFI-RTBURBONSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001717215948 1421193834 /nfs/dbraw/zinc/19/38/34/1421193834.db2.gz BFAVTZIWHOPEJL-UXHICEINSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001717269297 1421224888 /nfs/dbraw/zinc/22/48/88/1421224888.db2.gz INJWNPLJRRCEEQ-JXFKEZNVSA-N 2 0 341.499 3.067 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001717281268 1421232773 /nfs/dbraw/zinc/23/27/73/1421232773.db2.gz IGWVSPWCPNHIQE-ZWKOTPCHSA-N 2 0 335.536 3.022 10 30 EGEERP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)[NH+](CC)CC ZINC001717361406 1421296153 /nfs/dbraw/zinc/29/61/53/1421296153.db2.gz QQFHNYCNEZSKMX-HSALFYBXSA-N 2 0 343.515 3.055 10 30 EGEERP CCCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001717365983 1421300698 /nfs/dbraw/zinc/30/06/98/1421300698.db2.gz SWTCRTJFLLGRJP-GUDVDZBRSA-N 2 0 337.552 3.220 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(C)(C)C ZINC001717968645 1421740195 /nfs/dbraw/zinc/74/01/95/1421740195.db2.gz FCZALFLUDOIMKK-SFHVURJKSA-N 2 0 331.504 3.058 10 30 EGEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001717978963 1421749987 /nfs/dbraw/zinc/74/99/87/1421749987.db2.gz PWENONYOPBISCQ-GOSISDBHSA-N 2 0 347.547 3.045 10 30 EGEERP CCCCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001718024765 1421778486 /nfs/dbraw/zinc/77/84/86/1421778486.db2.gz YKDBOGKSHJSJJC-LJQANCHMSA-N 2 0 335.536 3.189 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001733419367 1429625751 /nfs/dbraw/zinc/62/57/51/1429625751.db2.gz VQOIPQHITGOCPG-LAUBAEHRSA-N 2 0 343.515 3.297 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1CC ZINC001723383782 1424379810 /nfs/dbraw/zinc/37/98/10/1424379810.db2.gz DZDIZSFCYGKAFM-UXHICEINSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001733538559 1429744554 /nfs/dbraw/zinc/74/45/54/1429744554.db2.gz UWPXDEWFNMQKNV-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001724164527 1424700766 /nfs/dbraw/zinc/70/07/66/1424700766.db2.gz GEYCRXUARUWNLA-IBGZPJMESA-N 2 0 335.536 3.045 10 30 EGEERP 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 1424930738 /nfs/dbraw/zinc/93/07/38/1424930738.db2.gz NRUYXNSAJQUSDO-IYWMVGAKSA-N 2 0 347.547 3.042 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001724707265 1425063806 /nfs/dbraw/zinc/06/38/06/1425063806.db2.gz JMMMRLLVBWHOCO-RBUKOAKNSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001725016821 1425435495 /nfs/dbraw/zinc/43/54/95/1425435495.db2.gz FCXMVYRZLRTOAJ-IBGZPJMESA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001725025260 1425443275 /nfs/dbraw/zinc/44/32/75/1425443275.db2.gz CYNAJFVADBQCRN-FQEVSTJZSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001725025261 1425443555 /nfs/dbraw/zinc/44/35/55/1425443555.db2.gz CYNAJFVADBQCRN-HXUWFJFHSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001725066387 1425508059 /nfs/dbraw/zinc/50/80/59/1425508059.db2.gz WCJCBILQUKMYRN-XBMUEBEBSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001725255432 1425879631 /nfs/dbraw/zinc/87/96/31/1425879631.db2.gz LGNUOYIMRBEEOX-CABCVRRESA-N 2 0 340.471 3.048 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001731353233 1427293297 /nfs/dbraw/zinc/29/32/97/1427293297.db2.gz BFXRHYMZEPNAOG-RBUKOAKNSA-N 2 0 337.552 3.410 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001731553900 1427577202 /nfs/dbraw/zinc/57/72/02/1427577202.db2.gz ZPLAZKQDBOUTKF-RTBURBONSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001731574540 1427617759 /nfs/dbraw/zinc/61/77/59/1427617759.db2.gz YVEPAVDFPKUWRX-AFMYVXGZSA-N 2 0 347.547 3.377 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001733659983 1429852656 /nfs/dbraw/zinc/85/26/56/1429852656.db2.gz SYIVXNDSPSHZLN-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001733804491 1430073716 /nfs/dbraw/zinc/07/37/16/1430073716.db2.gz CNVFJAKPTPZGAG-SFHVURJKSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]CC1(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001734092723 1437877146 /nfs/dbraw/zinc/87/71/46/1437877146.db2.gz RQRWJMFJFFDYOZ-ROUUACIJSA-N 2 0 335.536 3.234 10 30 EGEERP C=C(C)CC[NH2+]CC1(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001734092721 1437877192 /nfs/dbraw/zinc/87/71/92/1437877192.db2.gz RQRWJMFJFFDYOZ-HDICACEKSA-N 2 0 335.536 3.234 10 30 EGEERP C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC001734152951 1437920361 /nfs/dbraw/zinc/92/03/61/1437920361.db2.gz MXYHQGRQESCTSY-LJQANCHMSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001734155833 1437922408 /nfs/dbraw/zinc/92/24/08/1437922408.db2.gz QGMYDRHDNKYLCS-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001734192459 1437933694 /nfs/dbraw/zinc/93/36/94/1437933694.db2.gz FIEOGXREJDHHQT-IPMKNSEASA-N 2 0 349.563 3.147 10 30 EGEERP CCCCCCC[N@H+](C)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001734274621 1438009119 /nfs/dbraw/zinc/00/91/19/1438009119.db2.gz PJXAJEFQQHHOQE-GOSISDBHSA-N 2 0 337.552 3.221 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C(C)(C)C ZINC001734560410 1438158282 /nfs/dbraw/zinc/15/82/82/1438158282.db2.gz IWCFPVYHBHMQOI-KRWDZBQOSA-N 2 0 337.552 3.338 10 30 EGEERP CCCn1ccnc1CCC[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570335836 317040977 /nfs/dbraw/zinc/04/09/77/317040977.db2.gz NHBCHQMFAUNDMQ-UHFFFAOYSA-N 2 0 341.415 3.138 10 30 EGEERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600718368 460577580 /nfs/dbraw/zinc/57/75/80/460577580.db2.gz WXXNPROLOCZVCQ-PXNSSMCTSA-N 2 0 341.499 3.205 10 30 EGEERP C=CCc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc(OC)c1O ZINC000245756707 455374242 /nfs/dbraw/zinc/37/42/42/455374242.db2.gz OTQAYSUJKBYDCJ-YJBOKZPZSA-N 2 0 332.488 3.291 10 30 EGEERP C=CCCC[C@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000091559877 454446206 /nfs/dbraw/zinc/44/62/06/454446206.db2.gz ZCDSVJSBBCCGJA-FQEVSTJZSA-N 2 0 329.532 3.481 10 30 EGEERP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000093639212 454725008 /nfs/dbraw/zinc/72/50/08/454725008.db2.gz YOJMRSUSTLMMKD-AEFFLSMTSA-N 2 0 332.488 3.422 10 30 EGEERP N#Cc1csc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000352836894 456351496 /nfs/dbraw/zinc/35/14/96/456351496.db2.gz XWJMRFHAVTYJBZ-UHFFFAOYSA-N 2 0 332.498 3.078 10 30 EGEERP C=C(C)C[NH+]1CCC(N[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422974207 458429527 /nfs/dbraw/zinc/42/95/27/458429527.db2.gz DLQOBFXNDGIUQW-RTWAWAEBSA-N 2 0 343.515 3.118 10 30 EGEERP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000595895506 459479473 /nfs/dbraw/zinc/47/94/73/459479473.db2.gz OGZIULRVCYABTP-HUUCEWRRSA-N 2 0 337.389 3.399 10 30 EGEERP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000595895504 459479675 /nfs/dbraw/zinc/47/96/75/459479675.db2.gz OGZIULRVCYABTP-CABCVRRESA-N 2 0 337.389 3.399 10 30 EGEERP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCN3C3CCCC3)CC2)cc1 ZINC000527806827 459742676 /nfs/dbraw/zinc/74/26/76/459742676.db2.gz FUBCDUSSLSCMFZ-NRFANRHFSA-N 2 0 338.499 3.134 10 30 EGEERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528403093 459805487 /nfs/dbraw/zinc/80/54/87/459805487.db2.gz IGEKVPPPDWXWGD-MJGOQNOKSA-N 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C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940971826 1331281537 /nfs/dbraw/zinc/28/15/37/1331281537.db2.gz DDMSNUFJLKXMOA-RBUKOAKNSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941092263 1331329811 /nfs/dbraw/zinc/32/98/11/1331329811.db2.gz CKXSUSFNAHXDTK-IBGZPJMESA-N 2 0 343.515 3.155 10 30 EGEERP CCCCCCC[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001324339779 1387598508 /nfs/dbraw/zinc/59/85/08/1387598508.db2.gz NFADQOSBMJPDSL-SFHVURJKSA-N 2 0 337.552 3.269 10 30 EGEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001324775052 1387768490 /nfs/dbraw/zinc/76/84/90/1387768490.db2.gz GXKJOVXNZNRXPU-PZJWPPBQSA-N 2 0 347.547 3.188 10 30 EGEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001325680365 1388028984 /nfs/dbraw/zinc/02/89/84/1388028984.db2.gz RCQNSNRQBLTVNW-IYARVYRRSA-N 2 0 343.515 3.060 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001327299930 1388490815 /nfs/dbraw/zinc/49/08/15/1388490815.db2.gz QYSHLYKKAUWJCA-UXHICEINSA-N 2 0 349.563 3.245 10 30 EGEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001271557566 1377638593 /nfs/dbraw/zinc/63/85/93/1377638593.db2.gz BRBIZXJELBJDHA-FQEVSTJZSA-N 2 0 347.547 3.025 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C ZINC001284350464 1379748981 /nfs/dbraw/zinc/74/89/81/1379748981.db2.gz VXSGBPWEZKCYDL-LJQANCHMSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001284614747 1380013772 /nfs/dbraw/zinc/01/37/72/1380013772.db2.gz XLRCGLNMAKJMCE-DLBZAZTESA-N 2 0 337.552 3.336 10 30 EGEERP C=C(C[NH+](C)C)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC001303352271 1383795635 /nfs/dbraw/zinc/79/56/35/1383795635.db2.gz HQCAQPUROXKAAE-UHFFFAOYSA-N 2 0 343.515 3.055 10 30 EGEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001316812285 1384611542 /nfs/dbraw/zinc/61/15/42/1384611542.db2.gz ZLGWZFWJQHHBLG-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH+]1CCC(N(CCC)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001317005770 1384766993 /nfs/dbraw/zinc/76/69/93/1384766993.db2.gz NHHGQDORPRNTHQ-UHFFFAOYSA-N 2 0 335.536 3.142 10 30 EGEERP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001317085048 1384847799 /nfs/dbraw/zinc/84/77/99/1384847799.db2.gz DMOKYPVQOSDBTQ-MKXGPGLRSA-N 2 0 335.536 3.211 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001317106027 1384869984 /nfs/dbraw/zinc/86/99/84/1384869984.db2.gz QCOVSRDAIDPKJK-MOPGFXCFSA-N 2 0 337.552 3.221 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317139684 1384906358 /nfs/dbraw/zinc/90/63/58/1384906358.db2.gz KKVKFBXEXJHGCA-ZWKOTPCHSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317328013 1385083966 /nfs/dbraw/zinc/08/39/66/1385083966.db2.gz ZCWKRGSNTDYLLX-QZTJIDSGSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001317791143 1385483985 /nfs/dbraw/zinc/48/39/85/1385483985.db2.gz ZRPDWMDAKRQXFZ-MOPGFXCFSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)C[NH2+]C[C@]1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC[C@H]1C ZINC001318742193 1385849169 /nfs/dbraw/zinc/84/91/69/1385849169.db2.gz AMRJDYWGMLKJTD-YLJYHZDGSA-N 2 0 337.552 3.195 10 30 EGEERP C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001698693323 1406337598 /nfs/dbraw/zinc/33/75/98/1406337598.db2.gz BVJZNOYPQIHMSX-PKOBYXMFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001698693321 1406337789 /nfs/dbraw/zinc/33/77/89/1406337789.db2.gz BVJZNOYPQIHMSX-IEBWSBKVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001329241166 1389031731 /nfs/dbraw/zinc/03/17/31/1389031731.db2.gz UMHCECRCJSJMIQ-CTWPCTMYSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001329733758 1389212521 /nfs/dbraw/zinc/21/25/21/1389212521.db2.gz JGSOGQOEODVHGZ-IAGOWNOFSA-N 2 0 343.943 3.074 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001332217171 1390048924 /nfs/dbraw/zinc/04/89/24/1390048924.db2.gz GTJMKFIHXJSZNN-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001479528709 1392271293 /nfs/dbraw/zinc/27/12/93/1392271293.db2.gz PHVCTFFCGREQLU-PXNSSMCTSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001479889847 1392460973 /nfs/dbraw/zinc/46/09/73/1392460973.db2.gz OWJDYXSSZAOMHO-GOSISDBHSA-N 2 0 347.547 3.140 10 30 EGEERP CCCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480345981 1392698103 /nfs/dbraw/zinc/69/81/03/1392698103.db2.gz PDXIHDAIKLBGHG-PMACEKPBSA-N 2 0 349.563 3.269 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001481126092 1393126665 /nfs/dbraw/zinc/12/66/65/1393126665.db2.gz HTYKWQZOPVCKHT-IEBWSBKVSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001491251421 1394491263 /nfs/dbraw/zinc/49/12/63/1394491263.db2.gz PYKPQCBLGAASDQ-KRWDZBQOSA-N 2 0 349.544 3.360 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001491270865 1394498975 /nfs/dbraw/zinc/49/89/75/1394498975.db2.gz IUWJIJOUHBGPSE-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001481903586 1394588029 /nfs/dbraw/zinc/58/80/29/1394588029.db2.gz AYBOUAREZIBANU-SFHVURJKSA-N 2 0 335.536 3.093 10 30 EGEERP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001481974128 1394636626 /nfs/dbraw/zinc/63/66/26/1394636626.db2.gz HZZGUZAIROYKPA-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001482429516 1394989476 /nfs/dbraw/zinc/98/94/76/1394989476.db2.gz QPTMNVYRXHNHSU-PKOBYXMFSA-N 2 0 337.552 3.125 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001482434755 1394995445 /nfs/dbraw/zinc/99/54/45/1394995445.db2.gz YJSGBEIYIQLJGW-UXHICEINSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001483836580 1395104159 /nfs/dbraw/zinc/10/41/59/1395104159.db2.gz DSBOFJBPGAHGGF-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC001483907487 1395138459 /nfs/dbraw/zinc/13/84/59/1395138459.db2.gz BIIZURBYTLEEME-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC001485579873 1396052687 /nfs/dbraw/zinc/05/26/87/1396052687.db2.gz WLXRGEAOXWYTND-HKUYNNGSSA-N 2 0 349.563 3.288 10 30 EGEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001690484278 1404601032 /nfs/dbraw/zinc/60/10/32/1404601032.db2.gz MSJMVDUTEDRLDJ-WOJBJXKFSA-N 2 0 343.515 3.226 10 30 EGEERP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690777133 1404725604 /nfs/dbraw/zinc/72/56/04/1404725604.db2.gz HUQFLHVKYCRHKW-ZWKOTPCHSA-N 2 0 335.536 3.092 10 30 EGEERP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001691632651 1405369851 /nfs/dbraw/zinc/36/98/51/1405369851.db2.gz NHDPQDPYCARYEK-PMACEKPBSA-N 2 0 343.515 3.226 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001691765275 1405478813 /nfs/dbraw/zinc/47/88/13/1405478813.db2.gz NKGVSACHQSZELC-QYZOEREBSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)c1ccccc1 ZINC001691787005 1405495663 /nfs/dbraw/zinc/49/56/63/1405495663.db2.gz ITHUMNGLPVGBMG-FQEVSTJZSA-N 2 0 348.450 3.280 10 30 EGEERP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC(C)(C)C1 ZINC001691814253 1405528728 /nfs/dbraw/zinc/52/87/28/1405528728.db2.gz URGDLWHWFOCEKV-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691895339 1405618306 /nfs/dbraw/zinc/61/83/06/1405618306.db2.gz FTFCYHAHAWFCKO-UYAOXDASSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCC[NH+](C)C ZINC001691920264 1405649632 /nfs/dbraw/zinc/64/96/32/1405649632.db2.gz USYLCMQMPBNUDO-YZGWKJHDSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001732004847 1428217917 /nfs/dbraw/zinc/21/79/17/1428217917.db2.gz ZQLKJSPLPVTTED-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001692012776 1405732274 /nfs/dbraw/zinc/73/22/74/1405732274.db2.gz KYVRDCOTLRUUSM-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001692074174 1405761010 /nfs/dbraw/zinc/76/10/10/1405761010.db2.gz DXYLAUYRJBMDOD-LMMKCTJWSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001732158202 1428401888 /nfs/dbraw/zinc/40/18/88/1428401888.db2.gz BEBFAQSOUJAYKT-QZTJIDSGSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001732284203 1428514017 /nfs/dbraw/zinc/51/40/17/1428514017.db2.gz SHSRMMWPTIAXPZ-UXHICEINSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001732314089 1428526205 /nfs/dbraw/zinc/52/62/05/1428526205.db2.gz LBEOBKCYSSCSFP-MISYRCLQSA-N 2 0 349.563 3.479 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001732531207 1428651654 /nfs/dbraw/zinc/65/16/54/1428651654.db2.gz KBBMOGGHIUSQQD-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699507476 1412895375 /nfs/dbraw/zinc/89/53/75/1412895375.db2.gz SMMYZXMNAYMGNX-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1cnc[nH]1 ZINC001699681636 1413076149 /nfs/dbraw/zinc/07/61/49/1413076149.db2.gz ULKFHWTVQKNGDX-JLYLLQBASA-N 2 0 346.519 3.424 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001699769966 1413175304 /nfs/dbraw/zinc/17/53/04/1413175304.db2.gz CFZZKIMZRYDQPF-ZWKOTPCHSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001699769573 1413175342 /nfs/dbraw/zinc/17/53/42/1413175342.db2.gz XKUFFYMKESCQCR-MSOLQXFVSA-N 2 0 335.536 3.185 10 30 EGEERP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001699838097 1413266386 /nfs/dbraw/zinc/26/63/86/1413266386.db2.gz TZVVLZZNZMSFJM-IBGZPJMESA-N 2 0 349.544 3.218 10 30 EGEERP C=C(C)CC[NH+]1CCC(C)(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001699864486 1413300745 /nfs/dbraw/zinc/30/07/45/1413300745.db2.gz WIOLUJMGBHYJCP-UHFFFAOYSA-N 2 0 335.536 3.047 10 30 EGEERP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001700090983 1413502732 /nfs/dbraw/zinc/50/27/32/1413502732.db2.gz JDMNLICCJMRDDV-GOSISDBHSA-N 2 0 343.515 3.043 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001700093877 1413508063 /nfs/dbraw/zinc/50/80/63/1413508063.db2.gz CTQCYYDJJSLZDB-LPHOPBHVSA-N 2 0 329.488 3.014 10 30 EGEERP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)cc1 ZINC001700094399 1413508662 /nfs/dbraw/zinc/50/86/62/1413508662.db2.gz JMSKYHTZYZTWLN-YLJYHZDGSA-N 2 0 343.515 3.261 10 30 EGEERP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001700183446 1413599349 /nfs/dbraw/zinc/59/93/49/1413599349.db2.gz DUNAOIJOIILIAA-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001700223062 1413671968 /nfs/dbraw/zinc/67/19/68/1413671968.db2.gz RKDSVUUQKMXZML-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001700340176 1413818378 /nfs/dbraw/zinc/81/83/78/1413818378.db2.gz LVBMQLWTXUUPPT-FQEVSTJZSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001700341018 1413820992 /nfs/dbraw/zinc/82/09/92/1413820992.db2.gz HIBGXMGZHSQBEJ-VQTJNVASSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001700696673 1414354025 /nfs/dbraw/zinc/35/40/25/1414354025.db2.gz MARMVALOBSKTEE-KRWDZBQOSA-N 2 0 337.552 3.242 10 30 EGEERP C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001707138006 1417217958 /nfs/dbraw/zinc/21/79/58/1417217958.db2.gz GFSCINBIDABRHQ-RBUKOAKNSA-N 2 0 349.563 3.291 10 30 EGEERP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001707138001 1417218070 /nfs/dbraw/zinc/21/80/70/1417218070.db2.gz GFSCINBIDABRHQ-MOPGFXCFSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001707234483 1417255588 /nfs/dbraw/zinc/25/55/88/1417255588.db2.gz MLKOYSXRRSWAJB-FHWLQOOXSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001707237041 1417257607 /nfs/dbraw/zinc/25/76/07/1417257607.db2.gz HTRYUFDZAUDDQU-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001707238652 1417258911 /nfs/dbraw/zinc/25/89/11/1417258911.db2.gz NUIUJFDTCWHBQJ-HXUWFJFHSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001713117254 1417682107 /nfs/dbraw/zinc/68/21/07/1417682107.db2.gz ROWXBPVJSSXAID-WOJBJXKFSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001713392389 1418004724 /nfs/dbraw/zinc/00/47/24/1418004724.db2.gz FCVHDRKTJOWHFP-SFHVURJKSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001713442357 1418078235 /nfs/dbraw/zinc/07/82/35/1418078235.db2.gz NGAGGCRTKWFQLX-UXHICEINSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001713678263 1418430338 /nfs/dbraw/zinc/43/03/38/1418430338.db2.gz WPFBKLHZRUMLCW-YLJYHZDGSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001713681232 1418433079 /nfs/dbraw/zinc/43/30/79/1418433079.db2.gz CPRCUMXKCHQVHU-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C(C)C ZINC001713693012 1418447462 /nfs/dbraw/zinc/44/74/62/1418447462.db2.gz VPSSUUBXPWIASV-QGZVFWFLSA-N 2 0 343.943 3.219 10 30 EGEERP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001713911743 1418707799 /nfs/dbraw/zinc/70/77/99/1418707799.db2.gz JWIVLGWESIPZRA-BGYRXZFFSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001714043889 1418835085 /nfs/dbraw/zinc/83/50/85/1418835085.db2.gz DJPSOKHMEODMMD-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001714153478 1418961297 /nfs/dbraw/zinc/96/12/97/1418961297.db2.gz IAILLMIFXUKORZ-UYAOXDASSA-N 2 0 349.563 3.291 10 30 EGEERP CCCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001714301604 1419081788 /nfs/dbraw/zinc/08/17/88/1419081788.db2.gz AYWWAZPAPFQERI-GUDVDZBRSA-N 2 0 337.552 3.458 10 30 EGEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001714812954 1419523731 /nfs/dbraw/zinc/52/37/31/1419523731.db2.gz XWVMNFUTVNSJMX-INIZCTEOSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001715021237 1419752558 /nfs/dbraw/zinc/75/25/58/1419752558.db2.gz VGPWPWIPSMUQKH-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)CCC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001715484655 1420164583 /nfs/dbraw/zinc/16/45/83/1420164583.db2.gz KKLXFRDULXNOAK-AZUAARDMSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001716519083 1420748239 /nfs/dbraw/zinc/74/82/39/1420748239.db2.gz BDKHWDCIXHJDDQ-MOPGFXCFSA-N 2 0 335.536 3.093 10 30 EGEERP C=CC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CCCCCC1 ZINC001733278505 1429446897 /nfs/dbraw/zinc/44/68/97/1429446897.db2.gz RHPDCAICKSMDSX-UXHICEINSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001716797419 1420930251 /nfs/dbraw/zinc/93/02/51/1420930251.db2.gz VOOXEPRGTTYGTE-SQNIBIBYSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001717037402 1421091273 /nfs/dbraw/zinc/09/12/73/1421091273.db2.gz KYTATCDIOBFUNL-GBESFXJTSA-N 2 0 335.536 3.138 10 30 EGEERP CCCCCCC[NH+]1CC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001717552416 1421489383 /nfs/dbraw/zinc/48/93/83/1421489383.db2.gz IPEXQDKHSRGCLZ-QGZVFWFLSA-N 2 0 335.536 3.022 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001717589103 1421518109 /nfs/dbraw/zinc/51/81/09/1421518109.db2.gz LXSBNEXXHSVVCT-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001717849092 1421662026 /nfs/dbraw/zinc/66/20/26/1421662026.db2.gz LUEFIOGUUQHPJO-GBESFXJTSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001717849094 1421662092 /nfs/dbraw/zinc/66/20/92/1421662092.db2.gz LUEFIOGUUQHPJO-IPMKNSEASA-N 2 0 347.547 3.044 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001733449107 1429660069 /nfs/dbraw/zinc/66/00/69/1429660069.db2.gz XHHZQEHPYBFPBG-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001724325077 1424813537 /nfs/dbraw/zinc/81/35/37/1424813537.db2.gz UZOFVPGWMJPIHL-PZJWPPBQSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724330363 1424823466 /nfs/dbraw/zinc/82/34/66/1424823466.db2.gz NXBDDFAWQIEMSK-RXVVDRJESA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724343806 1424843396 /nfs/dbraw/zinc/84/33/96/1424843396.db2.gz OXHZGGWBIRTZFM-NRFANRHFSA-N 2 0 343.515 3.156 10 30 EGEERP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001724657686 1425024857 /nfs/dbraw/zinc/02/48/57/1425024857.db2.gz FIOVTDCLPKOKGW-SLFFLAALSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001725677886 1426363762 /nfs/dbraw/zinc/36/37/62/1426363762.db2.gz XOUZWIRVNXXJAI-DLBZAZTESA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001725798351 1426482485 /nfs/dbraw/zinc/48/24/85/1426482485.db2.gz XCZZPIISIKBHAF-SJLPKXTDSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001731470527 1427450291 /nfs/dbraw/zinc/45/02/91/1427450291.db2.gz JLZNTWXMELJHHB-PMACEKPBSA-N 2 0 347.547 3.142 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001731503318 1427485927 /nfs/dbraw/zinc/48/59/27/1427485927.db2.gz LKCSUCMRBJMVRG-AZUAARDMSA-N 2 0 349.563 3.127 10 30 EGEERP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001731564196 1427601860 /nfs/dbraw/zinc/60/18/60/1427601860.db2.gz KNGVBWFGAMUIRX-OBKDMQGPSA-N 2 0 347.547 3.020 10 30 EGEERP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001733956151 1437764256 /nfs/dbraw/zinc/76/42/56/1437764256.db2.gz VTIWDSCAHAJLTK-QLOJAFMTSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001734012375 1437803624 /nfs/dbraw/zinc/80/36/24/1437803624.db2.gz WXGVLVYEPMNASR-HDYDNRTBSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001734091803 1437875963 /nfs/dbraw/zinc/87/59/63/1437875963.db2.gz OCXXGXVSFJMEHI-OALUTQOASA-N 2 0 349.563 3.482 10 30 EGEERP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001734194998 1437936103 /nfs/dbraw/zinc/93/61/03/1437936103.db2.gz VAISCRJYCIMQRB-UFYCRDLUSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001734588056 1438177938 /nfs/dbraw/zinc/17/79/38/1438177938.db2.gz SAKILOOVLUSOHE-ICSRJNTNSA-N 2 0 349.563 3.290 10 30 EGEERP CC[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(C[NH+](C)C)cc1 ZINC000348961539 156300216 /nfs/dbraw/zinc/30/02/16/156300216.db2.gz FSLQSBSCUFTXIT-UHFFFAOYSA-N 2 0 347.466 3.290 10 30 EGEERP CC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000564132853 316115642 /nfs/dbraw/zinc/11/56/42/316115642.db2.gz RTRKWZOGVKVFAQ-UHFFFAOYSA-N 2 0 325.378 3.399 10 30 EGEERP N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000600721432 460579164 /nfs/dbraw/zinc/57/91/64/460579164.db2.gz MGVWXLYJJPMEFX-HXUWFJFHSA-N 2 0 341.499 3.207 10 30 EGEERP N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000600722693 460580233 /nfs/dbraw/zinc/58/02/33/460580233.db2.gz SQAZLVXEKHDNST-HXUWFJFHSA-N 2 0 341.499 3.207 10 30 EGEERP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123198319 454614693 /nfs/dbraw/zinc/61/46/93/454614693.db2.gz CFIICEFZPASQKY-UHFFFAOYSA-N 2 0 347.466 3.338 10 30 EGEERP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000093639213 454724897 /nfs/dbraw/zinc/72/48/97/454724897.db2.gz YOJMRSUSTLMMKD-SJLPKXTDSA-N 2 0 332.488 3.422 10 30 EGEERP C=CCC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000414312118 458317436 /nfs/dbraw/zinc/31/74/36/458317436.db2.gz VYYHAEUCEAQUNH-HXUWFJFHSA-N 2 0 328.500 3.348 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000876720047 1298938406 /nfs/dbraw/zinc/93/84/06/1298938406.db2.gz ZQRALMYVAOILCC-KDOFPFPSSA-N 2 0 349.906 3.005 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000876720050 1298939746 /nfs/dbraw/zinc/93/97/46/1298939746.db2.gz ZQRALMYVAOILCC-RDTXWAMCSA-N 2 0 349.906 3.005 10 30 EGEERP CSc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000895777413 1309513776 /nfs/dbraw/zinc/51/37/76/1309513776.db2.gz SJVCKLXLSXABID-UHFFFAOYSA-N 2 0 338.480 3.434 10 30 EGEERP C#Cc1ccc(NC(=O)CC[NH+]2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000929274975 1328554528 /nfs/dbraw/zinc/55/45/28/1328554528.db2.gz CZIQATNUQLSRSK-UHFFFAOYSA-N 2 0 341.499 3.050 10 30 EGEERP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941094037 1331330133 /nfs/dbraw/zinc/33/01/33/1331330133.db2.gz WHLRGOUXZYJMKK-IBGZPJMESA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001327143682 1388402363 /nfs/dbraw/zinc/40/23/63/1388402363.db2.gz VMGYEZIBWHLYAA-ZWKOTPCHSA-N 2 0 335.536 3.186 10 30 EGEERP C=CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001327299857 1388490776 /nfs/dbraw/zinc/49/07/76/1388490776.db2.gz PSXFFDZFKMKWDG-RBUKOAKNSA-N 2 0 349.563 3.101 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001327299929 1388490822 /nfs/dbraw/zinc/49/08/22/1388490822.db2.gz QYSHLYKKAUWJCA-PMACEKPBSA-N 2 0 349.563 3.245 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001327309955 1388494812 /nfs/dbraw/zinc/49/48/12/1388494812.db2.gz ZWWAQIPTXJZKHZ-PMACEKPBSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001266877226 1377398672 /nfs/dbraw/zinc/39/86/72/1377398672.db2.gz JBTUPNMNTSKDDF-OALUTQOASA-N 2 0 335.536 3.186 10 30 EGEERP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001316996952 1384753982 /nfs/dbraw/zinc/75/39/82/1384753982.db2.gz AZKOFOFPZJFRQK-GUDVDZBRSA-N 2 0 349.563 3.268 10 30 EGEERP C=CC[NH+]1CCC(N(CCC)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001317006295 1384768134 /nfs/dbraw/zinc/76/81/34/1384768134.db2.gz RQOQERFOECUALS-UHFFFAOYSA-N 2 0 343.515 3.251 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001317220593 1385000800 /nfs/dbraw/zinc/00/08/00/1385000800.db2.gz DXOGHSIYCHHFEJ-UHFFFAOYSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317975259 1385595262 /nfs/dbraw/zinc/59/52/62/1385595262.db2.gz LBDLVLDHQOQTNN-IBGZPJMESA-N 2 0 347.547 3.189 10 30 EGEERP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001698627812 1406269969 /nfs/dbraw/zinc/26/99/69/1406269969.db2.gz WEHFVBOXTJHOGL-GOSISDBHSA-N 2 0 347.547 3.236 10 30 EGEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001319818761 1386314727 /nfs/dbraw/zinc/31/47/27/1386314727.db2.gz QQTQWSQARVAWLE-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001698707949 1406349409 /nfs/dbraw/zinc/34/94/09/1406349409.db2.gz QFUBBNLWZCAUKG-IYARVYRRSA-N 2 0 335.536 3.234 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001329242950 1389032595 /nfs/dbraw/zinc/03/25/95/1389032595.db2.gz HRHZFVZJRFDWGD-XEVCZEQESA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001329954718 1389272980 /nfs/dbraw/zinc/27/29/80/1389272980.db2.gz UXUDGSKVGNEXHS-WOJBJXKFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001330264479 1389372460 /nfs/dbraw/zinc/37/24/60/1389372460.db2.gz YIOANCHMLPXIFN-RTBURBONSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001330498998 1389431578 /nfs/dbraw/zinc/43/15/78/1389431578.db2.gz CPQFDJHXMHIGLT-OALUTQOASA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001331438488 1389748531 /nfs/dbraw/zinc/74/85/31/1389748531.db2.gz HLAAUZYBXAKSNL-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC001341119252 1390443203 /nfs/dbraw/zinc/44/32/03/1390443203.db2.gz HKMVJPZLRVGVQW-RXVVDRJESA-N 2 0 343.515 3.402 10 30 EGEERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC001341119253 1390443294 /nfs/dbraw/zinc/44/32/94/1390443294.db2.gz HKMVJPZLRVGVQW-WIYYLYMNSA-N 2 0 343.515 3.402 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001479527426 1392270301 /nfs/dbraw/zinc/27/03/01/1392270301.db2.gz UFBQRKIAUYTAAR-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC001479716715 1392334919 /nfs/dbraw/zinc/33/49/19/1392334919.db2.gz QCVVTGWYLPPKSM-RDGPPVDQSA-N 2 0 337.552 3.266 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCCn2ccnc2)CC(C)(C)C1 ZINC001479748307 1392366426 /nfs/dbraw/zinc/36/64/26/1392366426.db2.gz RWWWYKGVMCJGEV-SFHVURJKSA-N 2 0 346.519 3.236 10 30 EGEERP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001479983810 1392517024 /nfs/dbraw/zinc/51/70/24/1392517024.db2.gz ZVPXKZKSNCUNNO-GOSISDBHSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001480701314 1392864672 /nfs/dbraw/zinc/86/46/72/1392864672.db2.gz KKHGNQOGFUGYPC-OALUTQOASA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001480825948 1392963755 /nfs/dbraw/zinc/96/37/55/1392963755.db2.gz LBUVKRQGPLQTTC-AZUAARDMSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001481342112 1393168556 /nfs/dbraw/zinc/16/85/56/1393168556.db2.gz CWXPFSAZMYQJLM-AZUAARDMSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001698914217 1406648016 /nfs/dbraw/zinc/64/80/16/1406648016.db2.gz LCILEJGYLYUBTR-GBESFXJTSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001481515906 1394364883 /nfs/dbraw/zinc/36/48/83/1394364883.db2.gz HDBPTAUDMIAPHJ-QUCCMNQESA-N 2 0 349.563 3.386 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001481526304 1394377987 /nfs/dbraw/zinc/37/79/87/1394377987.db2.gz NTMPVZNTXHHZHT-LJQANCHMSA-N 2 0 349.563 3.413 10 30 EGEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001482034373 1394694142 /nfs/dbraw/zinc/69/41/42/1394694142.db2.gz ZTWPDZZZAJDKNH-FQEVSTJZSA-N 2 0 343.515 3.231 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)CC2 ZINC001482246745 1394843615 /nfs/dbraw/zinc/84/36/15/1394843615.db2.gz QWYRVVRZOSDYQR-MOPGFXCFSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001482474929 1395029360 /nfs/dbraw/zinc/02/93/60/1395029360.db2.gz GBFHMDCGXBLNHK-AZUAARDMSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001484161337 1395296121 /nfs/dbraw/zinc/29/61/21/1395296121.db2.gz VCYCBNMLDAQUAH-TZIWHRDSSA-N 2 0 347.547 3.188 10 30 EGEERP 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 1395356572 /nfs/dbraw/zinc/35/65/72/1395356572.db2.gz LNVSAARQDVLQJB-UHZRXMQZSA-N 2 0 347.547 3.185 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001484716248 1395477196 /nfs/dbraw/zinc/47/71/96/1395477196.db2.gz GOJOUNHLTFWYBI-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001494583570 1396476354 /nfs/dbraw/zinc/47/63/54/1396476354.db2.gz KHAMMZCEOFKPHT-PXNSSMCTSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001494907576 1396508640 /nfs/dbraw/zinc/50/86/40/1396508640.db2.gz VHXNCZZVJRJHEW-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCCC1 ZINC001496312711 1396645095 /nfs/dbraw/zinc/64/50/95/1396645095.db2.gz RTCXMBIPIATOAF-LJQANCHMSA-N 2 0 347.547 3.093 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001689271308 1397006073 /nfs/dbraw/zinc/00/60/73/1397006073.db2.gz GXKOAHDVGJDHGK-WOJBJXKFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001690030934 1404269807 /nfs/dbraw/zinc/26/98/07/1404269807.db2.gz PLZWTSKAIJSOEZ-AZUAARDMSA-N 2 0 349.563 3.384 10 30 EGEERP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001690450511 1404575057 /nfs/dbraw/zinc/57/50/57/1404575057.db2.gz KWEHMSZIUGJZBO-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001690484276 1404601221 /nfs/dbraw/zinc/60/12/21/1404601221.db2.gz MSJMVDUTEDRLDJ-UXHICEINSA-N 2 0 343.515 3.226 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001691271480 1405185613 /nfs/dbraw/zinc/18/56/13/1405185613.db2.gz HBEVETZHEXQTDT-XUVXKRRUSA-N 2 0 349.563 3.338 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC(C)(C)C1 ZINC001691818553 1405533120 /nfs/dbraw/zinc/53/31/20/1405533120.db2.gz FJVKZRDQPYTJGR-ROUUACIJSA-N 2 0 337.552 3.290 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001691895251 1405618061 /nfs/dbraw/zinc/61/80/61/1405618061.db2.gz APQOLQRDJKXLKQ-UYAOXDASSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001692004786 1405721200 /nfs/dbraw/zinc/72/12/00/1405721200.db2.gz LSDOCCWBXJWWQQ-ZWKOTPCHSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001692132051 1405789380 /nfs/dbraw/zinc/78/93/80/1405789380.db2.gz OUIGLVDWSWCRLA-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001732023532 1428241473 /nfs/dbraw/zinc/24/14/73/1428241473.db2.gz SZVBCRHGBVCJNG-FXAWDEMLSA-N 2 0 343.515 3.130 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001732158201 1428401727 /nfs/dbraw/zinc/40/17/27/1428401727.db2.gz BEBFAQSOUJAYKT-MSOLQXFVSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001732272944 1428508414 /nfs/dbraw/zinc/50/84/14/1428508414.db2.gz DHMGXSLAPPBIIB-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001732403072 1428567621 /nfs/dbraw/zinc/56/76/21/1428567621.db2.gz CQGANFGXCPKCGQ-LJQANCHMSA-N 2 0 347.547 3.140 10 30 EGEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001732465508 1428595726 /nfs/dbraw/zinc/59/57/26/1428595726.db2.gz CCJPICOBVVJPTA-PKOBYXMFSA-N 2 0 335.536 3.090 10 30 EGEERP CCCCCCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001732492659 1428615053 /nfs/dbraw/zinc/61/50/53/1428615053.db2.gz WXVMIOWRPNXPRU-ROUUACIJSA-N 2 0 337.552 3.268 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001732522895 1428641975 /nfs/dbraw/zinc/64/19/75/1428641975.db2.gz CLMXTBPKQLQKLL-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001732531208 1428651522 /nfs/dbraw/zinc/65/15/22/1428651522.db2.gz KBBMOGGHIUSQQD-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001699979867 1413424636 /nfs/dbraw/zinc/42/46/36/1413424636.db2.gz RRLYJDOPIZGIRU-LWYYNNOASA-N 2 0 349.563 3.195 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001700016774 1413461901 /nfs/dbraw/zinc/46/19/01/1413461901.db2.gz KXZWPRHKHDCIPZ-RTBURBONSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001700178175 1413588756 /nfs/dbraw/zinc/58/87/56/1413588756.db2.gz HDPIVZGWKCCPPQ-HSALFYBXSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001700293884 1413751056 /nfs/dbraw/zinc/75/10/56/1413751056.db2.gz KLJMPZDLTADMSW-OALUTQOASA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001700314621 1413771310 /nfs/dbraw/zinc/77/13/10/1413771310.db2.gz VWOIVFWMMVRDFW-ZWKOTPCHSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001700692545 1414345820 /nfs/dbraw/zinc/34/58/20/1414345820.db2.gz INCFZNMJGRCAIF-UHFFFAOYSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001700843493 1414493237 /nfs/dbraw/zinc/49/32/37/1414493237.db2.gz RWBBILBUAVJNFH-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001700919400 1414571187 /nfs/dbraw/zinc/57/11/87/1414571187.db2.gz WQNUHYJMJJMGSW-MOPGFXCFSA-N 2 0 347.547 3.186 10 30 EGEERP C=CC[NH+]1CCC(N(CCC)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001713101741 1417655404 /nfs/dbraw/zinc/65/54/04/1417655404.db2.gz ZFZATTGGOPOWEL-GOSISDBHSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713135651 1417715894 /nfs/dbraw/zinc/71/58/94/1417715894.db2.gz NYIJLKZFBBQTLQ-LJQANCHMSA-N 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C=CCC[C@H](C)[NH2+]C1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001714199734 1419004501 /nfs/dbraw/zinc/00/45/01/1419004501.db2.gz DBZIPYRIVYJPBU-VIQWUECVSA-N 2 0 335.536 3.234 10 30 EGEERP CCCCCCC[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001714313679 1419094851 /nfs/dbraw/zinc/09/48/51/1419094851.db2.gz OAVVDJGLEWBXSG-IYARVYRRSA-N 2 0 335.536 3.070 10 30 EGEERP C=CCC[NH+]1CCC(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001714330424 1419109600 /nfs/dbraw/zinc/10/96/00/1419109600.db2.gz KPUJWSDFSMTXNW-UHFFFAOYSA-N 2 0 343.515 3.156 10 30 EGEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001714813819 1419524711 /nfs/dbraw/zinc/52/47/11/1419524711.db2.gz IENRWAOZVRJWJP-PXNSSMCTSA-N 2 0 343.515 3.082 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCCC1 ZINC001715107843 1419850044 /nfs/dbraw/zinc/85/00/44/1419850044.db2.gz ZCWRDBNRCFOBFM-KRWDZBQOSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[NH+]1CCC(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001715203425 1419937026 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OGCYWMSTGUVKMY-LJQANCHMSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001716877152 1421002655 /nfs/dbraw/zinc/00/26/55/1421002655.db2.gz XEJZXGBRAVAQKU-UYAOXDASSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001716900258 1421030980 /nfs/dbraw/zinc/03/09/80/1421030980.db2.gz NQOWOGIRXFJUNX-TZIWHRDSSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001717125232 1421127429 /nfs/dbraw/zinc/12/74/29/1421127429.db2.gz GOHXEYXCYQMKEL-IWFBPKFRSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001733288779 1429465882 /nfs/dbraw/zinc/46/58/82/1429465882.db2.gz YRUNLSLGLWHVKP-QUCCMNQESA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001717627393 1421536775 /nfs/dbraw/zinc/53/67/75/1421536775.db2.gz PXMVHFRLUZJNHA-XUVXKRRUSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001733377966 1429561441 /nfs/dbraw/zinc/56/14/41/1429561441.db2.gz ABCFPHQXGBEOCI-WOJBJXKFSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001733436532 1429643963 /nfs/dbraw/zinc/64/39/63/1429643963.db2.gz ATESCGRZYOHKGH-QUCCMNQESA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001733458473 1429679257 /nfs/dbraw/zinc/67/92/57/1429679257.db2.gz GSRWBVWRXUUCMV-ICSRJNTNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)C1CCCCCC1 ZINC001723640234 1424506568 /nfs/dbraw/zinc/50/65/68/1424506568.db2.gz KGFCNCAATBWHDJ-UHFFFAOYSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001723678965 1424525700 /nfs/dbraw/zinc/52/57/00/1424525700.db2.gz HIRVZBZUCBJFQM-RXVVDRJESA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001723678964 1424525728 /nfs/dbraw/zinc/52/57/28/1424525728.db2.gz HIRVZBZUCBJFQM-NQIIRXRSSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001723679769 1424527442 /nfs/dbraw/zinc/52/74/42/1424527442.db2.gz MNOFRKGDOMEJOP-CTNGQTDRSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001723727867 1424552039 /nfs/dbraw/zinc/55/20/39/1424552039.db2.gz XYHSYJKDAIXMDS-NRFANRHFSA-N 2 0 347.547 3.143 10 30 EGEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001724274189 1424769505 /nfs/dbraw/zinc/76/95/05/1424769505.db2.gz VPVOPPRMCNDLHB-FQEVSTJZSA-N 2 0 335.536 3.047 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001724334194 1424827948 /nfs/dbraw/zinc/82/79/48/1424827948.db2.gz SZQBHTFYBCVJBN-HXUWFJFHSA-N 2 0 337.552 3.149 10 30 EGEERP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001724334727 1424829454 /nfs/dbraw/zinc/82/94/54/1424829454.db2.gz VNOKNDVYICOAQU-FQEVSTJZSA-N 2 0 337.552 3.149 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001724342630 1424838650 /nfs/dbraw/zinc/83/86/50/1424838650.db2.gz BJOJVOPZYBQHPL-CTNGQTDRSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001724730428 1425082230 /nfs/dbraw/zinc/08/22/30/1425082230.db2.gz VLDSCZVEPZAUSK-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@@H]1C ZINC001724991868 1425393838 /nfs/dbraw/zinc/39/38/38/1425393838.db2.gz IRLUOLUBHYYWAY-IRXDYDNUSA-N 2 0 335.536 3.185 10 30 EGEERP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)CC1 ZINC001725017254 1425435713 /nfs/dbraw/zinc/43/57/13/1425435713.db2.gz KANRVOQNWYRKNJ-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001725238874 1425835582 /nfs/dbraw/zinc/83/55/82/1425835582.db2.gz HGQVJFDMBPFDLM-LJQANCHMSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001725461412 1426127384 /nfs/dbraw/zinc/12/73/84/1426127384.db2.gz MCOGAKRAFXPSIB-SFHVURJKSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001725642666 1426321926 /nfs/dbraw/zinc/32/19/26/1426321926.db2.gz WKTNMUXVZLBTHO-ZWKOTPCHSA-N 2 0 349.563 3.480 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001731290636 1427232741 /nfs/dbraw/zinc/23/27/41/1427232741.db2.gz AXRSUTXKXBDXLK-IEBWSBKVSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001731502831 1427484527 /nfs/dbraw/zinc/48/45/27/1427484527.db2.gz KIRTZEACVHRRNN-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001731504097 1427488183 /nfs/dbraw/zinc/48/81/83/1427488183.db2.gz UPXOKCXYBCDCRG-QGZVFWFLSA-N 2 0 340.471 3.051 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001731995451 1428204300 /nfs/dbraw/zinc/20/43/00/1428204300.db2.gz GKFHIYIKURRFPF-KRWDZBQOSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001733604235 1429814168 /nfs/dbraw/zinc/81/41/68/1429814168.db2.gz VUBMNYSDHBIWKF-FHWLQOOXSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001734273321 1438006399 /nfs/dbraw/zinc/00/63/99/1438006399.db2.gz KHWJDIXXWUNBRC-UHFFFAOYSA-N 2 0 335.536 3.142 10 30 EGEERP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001734289969 1438019983 /nfs/dbraw/zinc/01/99/83/1438019983.db2.gz YGCRRUVAZKMUHJ-MOPGFXCFSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001734440912 1438103077 /nfs/dbraw/zinc/10/30/77/1438103077.db2.gz NNJDZKJVJTVYNF-YLJYHZDGSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@H]12 ZINC001734440910 1438103167 /nfs/dbraw/zinc/10/31/67/1438103167.db2.gz NNJDZKJVJTVYNF-PXNSSMCTSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001734579213 1438171543 /nfs/dbraw/zinc/17/15/43/1438171543.db2.gz QDNGDLCGEJHOPE-RMJJICAUSA-N 2 0 349.563 3.288 10 30 EGEERP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001734635739 1438195986 /nfs/dbraw/zinc/19/59/86/1438195986.db2.gz RFOVVBRUWGUZRA-HXUWFJFHSA-N 2 0 341.499 3.004 10 30 EGEERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000296730925 456022408 /nfs/dbraw/zinc/02/24/08/456022408.db2.gz NYEYBHPAOWDDFB-HOTGVXAUSA-N 2 0 346.906 3.264 10 30 EGEERP C[NH+](C)CC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000356079751 457447489 /nfs/dbraw/zinc/44/74/89/457447489.db2.gz BNDPSAKPBPWPRW-UHFFFAOYSA-N 2 0 325.378 3.351 10 30 EGEERP C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)C(C)C 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VARCOZSQSKMYEE-FQEVSTJZSA-N 2 0 349.563 3.293 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001319767082 1386287027 /nfs/dbraw/zinc/28/70/27/1386287027.db2.gz PDBVQDYSEDURMT-QGZVFWFLSA-N 2 0 340.471 3.193 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001698675287 1406323913 /nfs/dbraw/zinc/32/39/13/1406323913.db2.gz YSNFSVLLPOYBFN-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001329887048 1389246613 /nfs/dbraw/zinc/24/66/13/1389246613.db2.gz JNWVUTDZSUYPAP-MRXNPFEDSA-N 2 0 328.460 3.097 10 30 EGEERP C=CCc1cc(OC)cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1O ZINC001337806591 1389448441 /nfs/dbraw/zinc/44/84/41/1389448441.db2.gz UMFUNYZVFOQZES-SCTDSRPQSA-N 2 0 344.499 3.291 10 30 EGEERP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001332013081 1389946023 /nfs/dbraw/zinc/94/60/23/1389946023.db2.gz HTSTWXVGPLEVNL-MSOLQXFVSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001332217170 1390048414 /nfs/dbraw/zinc/04/84/14/1390048414.db2.gz GTJMKFIHXJSZNN-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001332960127 1390224469 /nfs/dbraw/zinc/22/44/69/1390224469.db2.gz MPCMRBPSOJVDGC-QGZVFWFLSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001479578231 1392279864 /nfs/dbraw/zinc/27/98/64/1392279864.db2.gz IUIHIJNWZPSWSK-HBFSDRIKSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[NH+]1CCC(N(CCC)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001479996250 1392528352 /nfs/dbraw/zinc/52/83/52/1392528352.db2.gz BJJYDBJNWQVUHI-UHFFFAOYSA-N 2 0 335.536 3.142 10 30 EGEERP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480087581 1392577102 /nfs/dbraw/zinc/57/71/02/1392577102.db2.gz OJFJPISAGGISEV-WOJBJXKFSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001480366683 1392709418 /nfs/dbraw/zinc/70/94/18/1392709418.db2.gz BXEPNUSHPLENEE-LJQANCHMSA-N 2 0 335.536 3.189 10 30 EGEERP C=CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001482000127 1394659133 /nfs/dbraw/zinc/65/91/33/1394659133.db2.gz GUFOBAIQYVWVKD-WOJBJXKFSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC001482071544 1394734245 /nfs/dbraw/zinc/73/42/45/1394734245.db2.gz UWCZPCLLCWEEAC-UHFFFAOYSA-N 2 0 347.547 3.143 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001482439818 1395000139 /nfs/dbraw/zinc/00/01/39/1395000139.db2.gz VZTIODIKGPRQRY-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001484100979 1395250622 /nfs/dbraw/zinc/25/06/22/1395250622.db2.gz PMBZWROAJRWJGH-AZUAARDMSA-N 2 0 337.552 3.269 10 30 EGEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001484122259 1395264656 /nfs/dbraw/zinc/26/46/56/1395264656.db2.gz QOKZLFQXALCFKQ-FPOVZHCZSA-N 2 0 343.515 3.084 10 30 EGEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001484126565 1395266808 /nfs/dbraw/zinc/26/68/08/1395266808.db2.gz WVLVLDCVQCQQRT-TZIWHRDSSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001484170352 1395309303 /nfs/dbraw/zinc/30/93/03/1395309303.db2.gz ONKDTFWKRGUPJM-ICSRJNTNSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001484716249 1395477214 /nfs/dbraw/zinc/47/72/14/1395477214.db2.gz GOJOUNHLTFWYBI-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001505397389 1396285080 /nfs/dbraw/zinc/28/50/80/1396285080.db2.gz DQSQSDXQPOQZEC-PMACEKPBSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001505407073 1396291913 /nfs/dbraw/zinc/29/19/13/1396291913.db2.gz PRTZQSSLZSFEBR-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001495391449 1396534713 /nfs/dbraw/zinc/53/47/13/1396534713.db2.gz OZDKLUVURCTHDP-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001689270054 1397001033 /nfs/dbraw/zinc/00/10/33/1397001033.db2.gz GSWKXXXJWVQBSA-SFHVURJKSA-N 2 0 337.552 3.291 10 30 EGEERP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001689269875 1397001865 /nfs/dbraw/zinc/00/18/65/1397001865.db2.gz BXCISQHPFQSDGO-FQEVSTJZSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001690501618 1404615162 /nfs/dbraw/zinc/61/51/62/1404615162.db2.gz NJLXDIFZXLXAPH-ROUUACIJSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCCC[NH2+]C1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001690543258 1404627773 /nfs/dbraw/zinc/62/77/73/1404627773.db2.gz VMAYTCRCPOIABH-UHFFFAOYSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001690814078 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349.563 3.338 10 30 EGEERP C=CCCCCC[NH2+]C1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001714189703 1418996290 /nfs/dbraw/zinc/99/62/90/1418996290.db2.gz BEBTVXBKKFTFIT-MHJFOBGBSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001714492925 1419216724 /nfs/dbraw/zinc/21/67/24/1419216724.db2.gz AHIMSQJNHOKIQC-SFHVURJKSA-N 2 0 347.547 3.236 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001714525331 1419251544 /nfs/dbraw/zinc/25/15/44/1419251544.db2.gz VKVOPJGSPUQAQN-FHWLQOOXSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[NH2+][C@H](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001714818582 1419528771 /nfs/dbraw/zinc/52/87/71/1419528771.db2.gz ZFJZPUNLKJSMQH-GOSISDBHSA-N 2 0 349.563 3.269 10 30 EGEERP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001714867615 1419594637 /nfs/dbraw/zinc/59/46/37/1419594637.db2.gz NEQQPEZEGCNOIR-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001715202849 1419935919 /nfs/dbraw/zinc/93/59/19/1419935919.db2.gz CFBOIGQHRZSAHW-FQEVSTJZSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001715204586 1419938518 /nfs/dbraw/zinc/93/85/18/1419938518.db2.gz RCZHGNYZKBCZTM-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001715409544 1420106132 /nfs/dbraw/zinc/10/61/32/1420106132.db2.gz GVXZPVLAJFIQDB-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001716734329 1420892447 /nfs/dbraw/zinc/89/24/47/1420892447.db2.gz RUESWUAAEPAGGF-OAQYLSRUSA-N 2 0 347.547 3.143 10 30 EGEERP C=C(C)CC[NH+]1CCC(C)(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001716886221 1421009818 /nfs/dbraw/zinc/00/98/18/1421009818.db2.gz QGVDQJXFXYELQF-UHFFFAOYSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001717125763 1421127756 /nfs/dbraw/zinc/12/77/56/1421127756.db2.gz QXKYXUQNPKREQY-UFYCRDLUSA-N 2 0 349.563 3.338 10 30 EGEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001717309768 1421252798 /nfs/dbraw/zinc/25/27/98/1421252798.db2.gz SPKCWUNEUFDFPQ-GOSISDBHSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001717338946 1421276716 /nfs/dbraw/zinc/27/67/16/1421276716.db2.gz GKSGGTLFMXEJHW-PXNSSMCTSA-N 2 0 343.515 3.297 10 30 EGEERP C=C(C)CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001717344109 1421282803 /nfs/dbraw/zinc/28/28/03/1421282803.db2.gz JBOJLJNCMPITKS-HXUWFJFHSA-N 2 0 343.515 3.010 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001717457876 1421387406 /nfs/dbraw/zinc/38/74/06/1421387406.db2.gz WJERIRGSJMDHLY-SQNIBIBYSA-N 2 0 337.552 3.146 10 30 EGEERP C=CCC[NH2+]C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(C)(C)C ZINC001717968644 1421740192 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349.563 3.291 10 30 EGEERP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001724306920 1424789289 /nfs/dbraw/zinc/78/92/89/1424789289.db2.gz OXRIXIJNRISKJV-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001724538084 1424900487 /nfs/dbraw/zinc/90/04/87/1424900487.db2.gz WPFJBHRCIZHBTF-NVXWUHKLSA-N 2 0 340.471 3.049 10 30 EGEERP C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001733566657 1429768287 /nfs/dbraw/zinc/76/82/87/1429768287.db2.gz YMLJRRQEXQPYBG-IYWMVGAKSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001724659248 1425035971 /nfs/dbraw/zinc/03/59/71/1425035971.db2.gz UZOZCSMDLVSWAC-VQTJNVASSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001724707576 1425063783 /nfs/dbraw/zinc/06/37/83/1425063783.db2.gz LYVDTIJLHLXVKM-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001724736284 1425092490 /nfs/dbraw/zinc/09/24/90/1425092490.db2.gz FZRYITBDXUHVAP-HXUWFJFHSA-N 2 0 343.515 3.184 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001725558660 1426223536 /nfs/dbraw/zinc/22/35/36/1426223536.db2.gz KGDSTRFRRCHILZ-IEBWSBKVSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001725677891 1426364064 /nfs/dbraw/zinc/36/40/64/1426364064.db2.gz XOUZWIRVNXXJAI-SJORKVTESA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001731290637 1427232589 /nfs/dbraw/zinc/23/25/89/1427232589.db2.gz AXRSUTXKXBDXLK-MJGOQNOKSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001731561038 1427596537 /nfs/dbraw/zinc/59/65/37/1427596537.db2.gz DESLTYJWHFGSPV-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001731704580 1427757870 /nfs/dbraw/zinc/75/78/70/1427757870.db2.gz SUZGKWMBKWUWIX-VQTJNVASSA-N 2 0 343.515 3.345 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001731828365 1428034452 /nfs/dbraw/zinc/03/44/52/1428034452.db2.gz NYFSFWAZHNGXEV-GOSISDBHSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001733690934 1429907474 /nfs/dbraw/zinc/90/74/74/1429907474.db2.gz YJCILDLINHBAGC-FHWLQOOXSA-N 2 0 335.536 3.092 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001733762618 1429979467 /nfs/dbraw/zinc/97/94/67/1429979467.db2.gz BURQGNOFVGNBAN-MOPGFXCFSA-N 2 0 337.552 3.269 10 30 EGEERP C=CCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001733783060 1430050321 /nfs/dbraw/zinc/05/03/21/1430050321.db2.gz VSRWUKKXXWRJPL-WOJBJXKFSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001733907716 1437726643 /nfs/dbraw/zinc/72/66/43/1437726643.db2.gz VNOOPAACPFIWJA-FQEVSTJZSA-N 2 0 343.515 3.008 10 30 EGEERP CCCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC001734497445 1438132979 /nfs/dbraw/zinc/13/29/79/1438132979.db2.gz REEKHWNXIYNSDL-OALUTQOASA-N 2 0 349.563 3.125 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001734506530 1438137174 /nfs/dbraw/zinc/13/71/74/1438137174.db2.gz ZFWVAYBJIAYCHF-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP CC1CC[NH+](Cc2ccccc2C[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600716484 460576247 /nfs/dbraw/zinc/57/62/47/460576247.db2.gz GNSRDNYLLMBDOM-HXUWFJFHSA-N 2 0 341.499 3.063 10 30 EGEERP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600717934 460577937 /nfs/dbraw/zinc/57/79/37/460577937.db2.gz UJDVCISZPRQXMK-PXNSSMCTSA-N 2 0 341.499 3.063 10 30 EGEERP N#Cc1ccc(OCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000090107393 454279536 /nfs/dbraw/zinc/27/95/36/454279536.db2.gz WTCSAYSFDCTJBT-UHFFFAOYSA-N 2 0 327.472 3.324 10 30 EGEERP CC[N@H+](C)C[C@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356139488 457480258 /nfs/dbraw/zinc/48/02/58/457480258.db2.gz SMYFFJSMYUICHS-CQSZACIVSA-N 2 0 325.378 3.351 10 30 EGEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000567612453 459134251 /nfs/dbraw/zinc/13/42/51/459134251.db2.gz PRVPEOKXDSCRME-ZCNNSNEGSA-N 2 0 326.484 3.364 10 30 EGEERP C[NH+](C)CCOc1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000600215036 460446068 /nfs/dbraw/zinc/44/60/68/460446068.db2.gz XTJNFHCRRRDAIT-UHFFFAOYSA-N 2 0 349.478 3.251 10 30 EGEERP C#CC[NH2+]CCCC[NH+]1CCN(c2cccc3sccc32)CC1 ZINC000616212993 460500501 /nfs/dbraw/zinc/50/05/01/460500501.db2.gz YOCSITKLSIDAHT-UHFFFAOYSA-N 2 0 327.497 3.026 10 30 EGEERP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000651663404 462294378 /nfs/dbraw/zinc/29/43/78/462294378.db2.gz KBXUWVKTNCGMSB-YLJYHZDGSA-N 2 0 328.500 3.478 10 30 EGEERP N#Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000922242111 1322485805 /nfs/dbraw/zinc/48/58/05/1322485805.db2.gz CTCMKXIYLIUDCB-UHFFFAOYSA-N 2 0 326.469 3.017 10 30 EGEERP C#CC[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000862445072 1329488078 /nfs/dbraw/zinc/48/80/78/1329488078.db2.gz LGWITDDQGFTXRW-GOSISDBHSA-N 2 0 325.500 3.062 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2ccnc2C(C)C)C(C)(C)C1 ZINC000941068284 1331318922 /nfs/dbraw/zinc/31/89/22/1331318922.db2.gz ONFCUSNAUZQYHQ-KRWDZBQOSA-N 2 0 346.519 3.189 10 30 EGEERP C=CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1CC ZINC001323150184 1387303204 /nfs/dbraw/zinc/30/32/04/1387303204.db2.gz QAVMECPTANROHD-MJGOQNOKSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1CC ZINC001323147568 1387302655 /nfs/dbraw/zinc/30/26/55/1387302655.db2.gz GPZKYSLODCWSRU-APWZRJJASA-N 2 0 340.471 3.049 10 30 EGEERP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001323693765 1387422912 /nfs/dbraw/zinc/42/29/12/1387422912.db2.gz RHAAWUDLSFXNAT-UXHICEINSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001323833001 1387468960 /nfs/dbraw/zinc/46/89/60/1387468960.db2.gz UJFRPOBIEALEJM-RTBURBONSA-N 2 0 349.563 3.242 10 30 EGEERP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001324557343 1387674109 /nfs/dbraw/zinc/67/41/09/1387674109.db2.gz PMNHCFVRBNVPFD-NRFANRHFSA-N 2 0 347.547 3.143 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001326386899 1388174256 /nfs/dbraw/zinc/17/42/56/1388174256.db2.gz MOYRTBQKFMYBLM-LJQANCHMSA-N 2 0 343.515 3.156 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001326488909 1388212763 /nfs/dbraw/zinc/21/27/63/1388212763.db2.gz CEJLWBYFHPANIB-QFBILLFUSA-N 2 0 331.504 3.116 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001279261701 1378304548 /nfs/dbraw/zinc/30/45/48/1378304548.db2.gz ATKPUIJAGFJIFM-WGSAOQKQSA-N 2 0 347.547 3.093 10 30 EGEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001282715093 1378573482 /nfs/dbraw/zinc/57/34/82/1378573482.db2.gz OHNFDLNXKXVPPJ-QZTJIDSGSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001327695538 1388584842 /nfs/dbraw/zinc/58/48/42/1388584842.db2.gz INJWNPLJRRCEEQ-OXQOHEQNSA-N 2 0 341.499 3.067 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001284346933 1379745074 /nfs/dbraw/zinc/74/50/74/1379745074.db2.gz CJWTUZMSDBOYLB-MOPGFXCFSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001284719517 1380138440 /nfs/dbraw/zinc/13/84/40/1380138440.db2.gz PHSZCPGLBWSUGB-IRXDYDNUSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)C ZINC001328467368 1388754796 /nfs/dbraw/zinc/75/47/96/1388754796.db2.gz DSPCBAXJDZZXBC-XLIONFOSSA-N 2 0 343.515 3.008 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001316790461 1384584110 /nfs/dbraw/zinc/58/41/10/1384584110.db2.gz VBKDKKVINLADKF-HOJAQTOUSA-N 2 0 347.547 3.329 10 30 EGEERP C=C(C)C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001316919457 1384690013 /nfs/dbraw/zinc/69/00/13/1384690013.db2.gz FVZQNMBZEVVXGP-HXUWFJFHSA-N 2 0 347.547 3.330 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317527180 1385249831 /nfs/dbraw/zinc/24/98/31/1385249831.db2.gz ONZKTNLOFOVBFC-GOSISDBHSA-N 2 0 335.536 3.023 10 30 EGEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001317687202 1385398128 /nfs/dbraw/zinc/39/81/28/1385398128.db2.gz QSCSOMULMAUDGK-IEBWSBKVSA-N 2 0 335.536 3.042 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001318403293 1385674628 /nfs/dbraw/zinc/67/46/28/1385674628.db2.gz QTSURDGKTGEJRW-OALUTQOASA-N 2 0 337.552 3.362 10 30 EGEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001318998353 1385916948 /nfs/dbraw/zinc/91/69/48/1385916948.db2.gz GGHPXWQNQXZADS-PXNSSMCTSA-N 2 0 343.515 3.089 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001319694002 1386255208 /nfs/dbraw/zinc/25/52/08/1386255208.db2.gz AAFJMJUZEWDSSI-RTBURBONSA-N 2 0 349.563 3.412 10 30 EGEERP C=CC[N@@H+](C)CCC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001319889465 1386366632 /nfs/dbraw/zinc/36/66/32/1386366632.db2.gz WNAUXJRZSUECDF-UHFFFAOYSA-N 2 0 343.515 3.108 10 30 EGEERP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@@H]21 ZINC001320114955 1386522442 /nfs/dbraw/zinc/52/24/42/1386522442.db2.gz NCEHQJXUEMPEPC-UXHICEINSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001330264454 1389372135 /nfs/dbraw/zinc/37/21/35/1389372135.db2.gz YIOANCHMLPXIFN-MOPGFXCFSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1c(C)cc(C)nc1C ZINC001331303214 1389692297 /nfs/dbraw/zinc/69/22/97/1389692297.db2.gz MPCZUDPXSNSBJB-SFHVURJKSA-N 2 0 329.488 3.413 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC001332379735 1390100931 /nfs/dbraw/zinc/10/09/31/1390100931.db2.gz KZFYDCDTYILFBQ-MSOLQXFVSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001332993693 1390232532 /nfs/dbraw/zinc/23/25/32/1390232532.db2.gz ZEOPQISBYPCHEP-MSOLQXFVSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001480825953 1392963227 /nfs/dbraw/zinc/96/32/27/1392963227.db2.gz LBUVKRQGPLQTTC-UYAOXDASSA-N 2 0 347.547 3.330 10 30 EGEERP 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 1395356891 /nfs/dbraw/zinc/35/68/91/1395356891.db2.gz LNVSAARQDVLQJB-OUUBHVDSSA-N 2 0 347.547 3.185 10 30 EGEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001484561253 1395446228 /nfs/dbraw/zinc/44/62/28/1395446228.db2.gz MCNAFLAUJXPULX-QGZVFWFLSA-N 2 0 343.515 3.404 10 30 EGEERP C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001505398856 1396286252 /nfs/dbraw/zinc/28/62/52/1396286252.db2.gz XWAAPBLMWAYSNG-QUCCMNQESA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001493130879 1396337035 /nfs/dbraw/zinc/33/70/35/1396337035.db2.gz QZMTVXPGNZBHLE-UXHICEINSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CCCCC1 ZINC001496321729 1396648750 /nfs/dbraw/zinc/64/87/50/1396648750.db2.gz WVXMTPCZKFGDMO-SFHVURJKSA-N 2 0 337.552 3.195 10 30 EGEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001690126879 1404320833 /nfs/dbraw/zinc/32/08/33/1404320833.db2.gz XOMSQAKYGFOADH-OALUTQOASA-N 2 0 347.547 3.045 10 30 EGEERP CCCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001690405738 1404542133 /nfs/dbraw/zinc/54/21/33/1404542133.db2.gz OTRVBBCEVZCIRY-UYAOXDASSA-N 2 0 349.563 3.127 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001690474460 1404597013 /nfs/dbraw/zinc/59/70/13/1404597013.db2.gz GMICLVAGFAAJOR-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001690732840 1404701546 /nfs/dbraw/zinc/70/15/46/1404701546.db2.gz QVAWCGCYQUUJEH-QUCCMNQESA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001691667587 1405401289 /nfs/dbraw/zinc/40/12/89/1405401289.db2.gz VLLZWKKCGUJFOU-MJGOQNOKSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001692014442 1405734411 /nfs/dbraw/zinc/73/44/11/1405734411.db2.gz WGQVTQTVEIZGNM-VQTJNVASSA-N 2 0 349.563 3.435 10 30 EGEERP 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 1405917690 /nfs/dbraw/zinc/91/76/90/1405917690.db2.gz CKULQKJVORGDQN-QRVBRYPASA-N 2 0 349.563 3.099 10 30 EGEERP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699507474 1412895310 /nfs/dbraw/zinc/89/53/10/1412895310.db2.gz SMMYZXMNAYMGNX-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001700094402 1413508760 /nfs/dbraw/zinc/50/87/60/1413508760.db2.gz JOTXESBASQYZOT-KRWDZBQOSA-N 2 0 343.515 3.404 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001700200057 1413643318 /nfs/dbraw/zinc/64/33/18/1413643318.db2.gz DNKSIKZMQDBJEM-GOSISDBHSA-N 2 0 335.536 3.023 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001700293609 1413751325 /nfs/dbraw/zinc/75/13/25/1413751325.db2.gz UFPARILCWQAONV-QZTJIDSGSA-N 2 0 337.552 3.290 10 30 EGEERP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001700436648 1414003861 /nfs/dbraw/zinc/00/38/61/1414003861.db2.gz KSKSUFREXKQPOY-YXWAVELNSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001707142987 1417220458 /nfs/dbraw/zinc/22/04/58/1417220458.db2.gz RBLDQSNRAQQFJI-UYAOXDASSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001713002900 1417556701 /nfs/dbraw/zinc/55/67/01/1417556701.db2.gz PMKJCFLTSPLBGD-XLIONFOSSA-N 2 0 343.515 3.297 10 30 EGEERP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001713057190 1417611643 /nfs/dbraw/zinc/61/16/43/1417611643.db2.gz FBJLWZHXDKRZDL-HXUWFJFHSA-N 2 0 343.515 3.178 10 30 EGEERP C=CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001713101342 1417654748 /nfs/dbraw/zinc/65/47/48/1417654748.db2.gz RQTDMPXBOYOKON-QUCCMNQESA-N 2 0 347.547 3.282 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713134289 1417712402 /nfs/dbraw/zinc/71/24/02/1417712402.db2.gz KXVLCWIHLMJANE-WOJBJXKFSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001713184995 1417760601 /nfs/dbraw/zinc/76/06/01/1417760601.db2.gz VLFQMBDSUDVMFP-VQTJNVASSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[NH+]1CCC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713217129 1417794687 /nfs/dbraw/zinc/79/46/87/1417794687.db2.gz VINALXWQQDJPDF-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001713252464 1417844791 /nfs/dbraw/zinc/84/47/91/1417844791.db2.gz ZOWOSKUCAXESQS-GUDVDZBRSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001713847096 1418643138 /nfs/dbraw/zinc/64/31/38/1418643138.db2.gz HXMYZDSPAMALIK-SFHVURJKSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1CC ZINC001733204354 1429310955 /nfs/dbraw/zinc/31/09/55/1429310955.db2.gz XGVQFVXQIMCKDJ-RBUKOAKNSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH2+]C1(CNC(=O)c2sccc2C[NH+](C)C)CCCC1 ZINC001714496983 1419221482 /nfs/dbraw/zinc/22/14/82/1419221482.db2.gz JEKOXZSJGATCTF-UHFFFAOYSA-N 2 0 335.517 3.018 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001714622133 1419389737 /nfs/dbraw/zinc/38/97/37/1419389737.db2.gz KVPUPXOYCVFBPX-YLJYHZDGSA-N 2 0 343.515 3.297 10 30 EGEERP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001714915904 1419667183 /nfs/dbraw/zinc/66/71/83/1419667183.db2.gz XSVSVXDGGULRKC-HXUWFJFHSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001715094986 1419835637 /nfs/dbraw/zinc/83/56/37/1419835637.db2.gz SJBMVJQBJBPYSV-SJLPKXTDSA-N 2 0 347.503 3.138 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001715156798 1419899275 /nfs/dbraw/zinc/89/92/75/1419899275.db2.gz UYVWKPXILQPPDN-AZUAARDMSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH2+]CCC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001715172305 1419909294 /nfs/dbraw/zinc/90/92/94/1419909294.db2.gz UXYBOZBGYRGZDD-UHFFFAOYSA-N 2 0 347.547 3.047 10 30 EGEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CCCCC1 ZINC001715400820 1420099561 /nfs/dbraw/zinc/09/95/61/1420099561.db2.gz DWKMZAMHCIGIGK-UXHICEINSA-N 2 0 349.563 3.480 10 30 EGEERP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001715434849 1420121645 /nfs/dbraw/zinc/12/16/45/1420121645.db2.gz GDMYYIFSWQGONY-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001716478389 1420693776 /nfs/dbraw/zinc/69/37/76/1420693776.db2.gz PZQFDCLGLMUSOU-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001716763724 1420910281 /nfs/dbraw/zinc/91/02/81/1420910281.db2.gz GLEZVUQDSWRLAC-QZTJIDSGSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001716763726 1420910642 /nfs/dbraw/zinc/91/06/42/1420910642.db2.gz GLEZVUQDSWRLAC-ZWKOTPCHSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CCC)cc1 ZINC001717115469 1421119159 /nfs/dbraw/zinc/11/91/59/1421119159.db2.gz MJZHSIAVQRZVOK-XLIONFOSSA-N 2 0 343.515 3.404 10 30 EGEERP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001717446552 1421376247 /nfs/dbraw/zinc/37/62/47/1421376247.db2.gz FKJBZJHVRRLAMY-VIQWUECVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@H+](CC1CC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001723647375 1424511249 /nfs/dbraw/zinc/51/12/49/1424511249.db2.gz JTBBKAHEKRIZJV-UHFFFAOYSA-N 2 0 347.547 3.140 10 30 EGEERP CCCCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001723856904 1424586808 /nfs/dbraw/zinc/58/68/08/1424586808.db2.gz BSSGQGKZBWGCAO-HKUYNNGSSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001723859384 1424588343 /nfs/dbraw/zinc/58/83/43/1424588343.db2.gz GJSCNFYDJMTCPW-VQTJNVASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001725237911 1425830934 /nfs/dbraw/zinc/83/09/34/1425830934.db2.gz ALBQYWCPSFZTJX-GOSISDBHSA-N 2 0 337.552 3.291 10 30 EGEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001725790670 1426476391 /nfs/dbraw/zinc/47/63/91/1426476391.db2.gz INVIKIDJPBOLGQ-ROUUACIJSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001731419003 1427394125 /nfs/dbraw/zinc/39/41/25/1427394125.db2.gz NKZFSLSTRPFCBJ-IBGZPJMESA-N 2 0 343.515 3.108 10 30 EGEERP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001731541503 1427550099 /nfs/dbraw/zinc/55/00/99/1427550099.db2.gz CBVRRMSFRYREBX-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001731551581 1427573035 /nfs/dbraw/zinc/57/30/35/1427573035.db2.gz LODRHKYNHFAHHQ-VQTJNVASSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001731715593 1427779304 /nfs/dbraw/zinc/77/93/04/1427779304.db2.gz QMXIZBOXXVOPJR-RBUKOAKNSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001731761645 1427866029 /nfs/dbraw/zinc/86/60/29/1427866029.db2.gz WDPSCCOIFJMIDV-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001731996273 1428205025 /nfs/dbraw/zinc/20/50/25/1428205025.db2.gz KFGLKMJGIBANFP-OAHLLOKOSA-N 2 0 349.544 3.216 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001733607886 1429824606 /nfs/dbraw/zinc/82/46/06/1429824606.db2.gz XKMWEGAXZZFXQO-WOJBJXKFSA-N 2 0 347.547 3.140 10 30 EGEERP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001733682948 1429895923 /nfs/dbraw/zinc/89/59/23/1429895923.db2.gz NMSKVIXRJYRDRU-PXNSSMCTSA-N 2 0 343.515 3.260 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001733689365 1429905268 /nfs/dbraw/zinc/90/52/68/1429905268.db2.gz BBQXSRNOLXFJCL-MISYRCLQSA-N 2 0 349.563 3.338 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001733689364 1429905390 /nfs/dbraw/zinc/90/53/90/1429905390.db2.gz BBQXSRNOLXFJCL-IHPCNDPISA-N 2 0 349.563 3.338 10 30 EGEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC001733717054 1429936008 /nfs/dbraw/zinc/93/60/08/1429936008.db2.gz VNOHPUQSPINOSG-GOSISDBHSA-N 2 0 347.547 3.236 10 30 EGEERP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001733772033 1430006862 /nfs/dbraw/zinc/00/68/62/1430006862.db2.gz ZJMDNGASKAXBMO-HXUWFJFHSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[N@@H+](CC)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001733920371 1437734381 /nfs/dbraw/zinc/73/43/81/1437734381.db2.gz GPXSKBQJVGTSMY-UHFFFAOYSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001734104503 1437890339 /nfs/dbraw/zinc/89/03/39/1437890339.db2.gz VXMLESLLKXEFFE-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP CCCCCCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001734603614 1438184492 /nfs/dbraw/zinc/18/44/92/1438184492.db2.gz IDUPCIVNUXMYLT-SFHVURJKSA-N 2 0 349.563 3.269 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001734605238 1438185414 /nfs/dbraw/zinc/18/54/14/1438185414.db2.gz YBSNUJJMDBQOLB-ZWKOTPCHSA-N 2 0 347.547 3.044 10 30 EGEERP N#Cc1ccc(C[NH+]2CCC(NCC3([NH3+])CCCCCC3)CC2)cc1 ZINC000423201471 270049390 /nfs/dbraw/zinc/04/93/90/270049390.db2.gz OVFRWNPKBXWSIC-UHFFFAOYSA-N 2 0 340.515 3.164 10 30 EGEERP N#Cc1ccc(C2([NH2+]CCC[NH+]3CCCCC3)CCOCC2)cc1 ZINC000528778875 268211146 /nfs/dbraw/zinc/21/11/46/268211146.db2.gz OIMVIYBHVJAUJH-UHFFFAOYSA-N 2 0 327.472 3.030 10 30 EGEERP C=CCc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc(OC)c1O ZINC000093638958 454724966 /nfs/dbraw/zinc/72/49/66/454724966.db2.gz OTQAYSUJKBYDCJ-QAPCUYQASA-N 2 0 332.488 3.291 10 30 EGEERP C=CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000237668525 455205630 /nfs/dbraw/zinc/20/56/30/455205630.db2.gz CQPITVPHFWJPTJ-ROUUACIJSA-N 2 0 332.488 3.230 10 30 EGEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000595060287 459231807 /nfs/dbraw/zinc/23/18/07/459231807.db2.gz GIPSTRXCQVDGGU-LAUBAEHRSA-N 2 0 342.531 3.187 10 30 EGEERP C=C(C)CN1CCC([NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000597054425 459826091 /nfs/dbraw/zinc/82/60/91/459826091.db2.gz UIXKOXORTBKPIU-UHFFFAOYSA-N 2 0 336.863 3.257 10 30 EGEERP C[N@@H+]1CCCC[C@H](CNCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000598994307 460120605 /nfs/dbraw/zinc/12/06/05/460120605.db2.gz JJTQRUVKYZNDJU-CQSZACIVSA-N 2 0 325.378 3.399 10 30 EGEERP C=CC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCC[NH2+]1 ZINC000662682599 461345084 /nfs/dbraw/zinc/34/50/84/461345084.db2.gz KJBQSJOOOTUTBJ-FQEVSTJZSA-N 2 0 327.472 3.309 10 30 EGEERP C=CCOc1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657537088 462171822 /nfs/dbraw/zinc/17/18/22/462171822.db2.gz ZUZWLYNDGXLMLM-UHFFFAOYSA-N 2 0 344.499 3.232 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000876719550 1298936377 /nfs/dbraw/zinc/93/63/77/1298936377.db2.gz ODVBKLWYFVUICZ-KRWDZBQOSA-N 2 0 335.879 3.327 10 30 EGEERP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(C#N)cc1 ZINC000925817573 1325314591 /nfs/dbraw/zinc/31/45/91/1325314591.db2.gz QLFCYKYAWPSOFG-JOCHJYFZSA-N 2 0 348.494 3.204 10 30 EGEERP CN(CCC#N)c1ccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000865765836 1329736521 /nfs/dbraw/zinc/73/65/21/1329736521.db2.gz OGKWXWNGDSDBLT-UHFFFAOYSA-N 2 0 328.504 3.389 10 30 EGEERP COc1ccc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)cc1C#N ZINC000865773462 1329736938 /nfs/dbraw/zinc/73/69/38/1329736938.db2.gz AAMLRTVUORLGHK-UHFFFAOYSA-N 2 0 349.478 3.320 10 30 EGEERP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940857781 1331223689 /nfs/dbraw/zinc/22/36/89/1331223689.db2.gz CZROQHYSFAHNKO-RBUKOAKNSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940971825 1331281043 /nfs/dbraw/zinc/28/10/43/1331281043.db2.gz DDMSNUFJLKXMOA-OALUTQOASA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1CC ZINC001323147569 1387302543 /nfs/dbraw/zinc/30/25/43/1387302543.db2.gz GPZKYSLODCWSRU-LPHOPBHVSA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1CC ZINC001323152422 1387303429 /nfs/dbraw/zinc/30/34/29/1387303429.db2.gz VNHKSFCYZMGKOW-RBUKOAKNSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001265447938 1377153271 /nfs/dbraw/zinc/15/32/71/1377153271.db2.gz DNXNYWIASJVEKP-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001327298300 1388489630 /nfs/dbraw/zinc/48/96/30/1388489630.db2.gz FZDNLEGKPJGFDO-VQTJNVASSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001267563733 1377457712 /nfs/dbraw/zinc/45/77/12/1377457712.db2.gz DSBVPPUIHDCSER-UYAOXDASSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001269871170 1377586810 /nfs/dbraw/zinc/58/68/10/1377586810.db2.gz QDKWPWCWSMNTFF-HXUWFJFHSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001327479064 1388531156 /nfs/dbraw/zinc/53/11/56/1388531156.db2.gz NGKZYBSGOCJUKH-GOSISDBHSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001327478699 1388531068 /nfs/dbraw/zinc/53/10/68/1388531068.db2.gz LWRXFTUCYNPAHR-OALUTQOASA-N 2 0 347.547 3.330 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)Cc3[nH]cnc3C)CCC[C@H]12 ZINC001284070918 1379432676 /nfs/dbraw/zinc/43/26/76/1379432676.db2.gz KUSPNLGWCBFOEW-AZUAARDMSA-N 2 0 346.519 3.344 10 30 EGEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001284619203 1380018720 /nfs/dbraw/zinc/01/87/20/1380018720.db2.gz QKXKQVOWIQHIDO-RBUKOAKNSA-N 2 0 349.563 3.480 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001284685872 1380097029 /nfs/dbraw/zinc/09/70/29/1380097029.db2.gz BHOWKCQEACEINC-SCTDSRPQSA-N 2 0 337.552 3.144 10 30 EGEERP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001328781031 1388859170 /nfs/dbraw/zinc/85/91/70/1388859170.db2.gz QFRAXPIGLPMOCH-AZUAARDMSA-N 2 0 349.563 3.384 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001317681919 1385391253 /nfs/dbraw/zinc/39/12/53/1385391253.db2.gz OMZQUVXPIOAHLK-RTBURBONSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001317682384 1385391802 /nfs/dbraw/zinc/39/18/02/1385391802.db2.gz BWZKFUVARHYBCD-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001318929872 1385885507 /nfs/dbraw/zinc/88/55/07/1385885507.db2.gz UEULAXGAHFSGPX-NQIIRXRSSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001319352372 1386075627 /nfs/dbraw/zinc/07/56/27/1386075627.db2.gz SWQOXWVURFWUEK-SFHVURJKSA-N 2 0 347.547 3.236 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001698627801 1406270299 /nfs/dbraw/zinc/27/02/99/1406270299.db2.gz VYNQXTNCCCRWJA-ROUUACIJSA-N 2 0 335.536 3.233 10 30 EGEERP CCCCCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001319864224 1386343482 /nfs/dbraw/zinc/34/34/82/1386343482.db2.gz NCKJOZDVYRCMAR-MOPGFXCFSA-N 2 0 349.563 3.269 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001698675293 1406323773 /nfs/dbraw/zinc/32/37/73/1406323773.db2.gz YSNFSVLLPOYBFN-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001698683334 1406330558 /nfs/dbraw/zinc/33/05/58/1406330558.db2.gz OCNXTRJSOUKNBL-VQTJNVASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH2+]C1CCC(N(C)C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001329256482 1389037694 /nfs/dbraw/zinc/03/76/94/1389037694.db2.gz GWCRVBHABGJNTD-UHFFFAOYSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCc1cc(OC)cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1O ZINC001337806589 1389448648 /nfs/dbraw/zinc/44/86/48/1389448648.db2.gz UMFUNYZVFOQZES-JENIJYKNSA-N 2 0 344.499 3.291 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001333015793 1390236958 /nfs/dbraw/zinc/23/69/58/1390236958.db2.gz UZLASIDIYWFXOI-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001480189858 1392619234 /nfs/dbraw/zinc/61/92/34/1392619234.db2.gz TUVCNVYVKMBJJY-UXHICEINSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001480736988 1392903257 /nfs/dbraw/zinc/90/32/57/1392903257.db2.gz KHYCWTLOTAOLCW-RBUKOAKNSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001490611336 1394281568 /nfs/dbraw/zinc/28/15/68/1394281568.db2.gz RSNUOPHRLUTJKX-MOPGFXCFSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001481845018 1394555018 /nfs/dbraw/zinc/55/50/18/1394555018.db2.gz YNTHHXQZCLXHHG-MJGOQNOKSA-N 2 0 335.536 3.234 10 30 EGEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001481903584 1394588112 /nfs/dbraw/zinc/58/81/12/1394588112.db2.gz AYBOUAREZIBANU-GOSISDBHSA-N 2 0 335.536 3.093 10 30 EGEERP C=CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001482000124 1394659288 /nfs/dbraw/zinc/65/92/88/1394659288.db2.gz GUFOBAIQYVWVKD-PMACEKPBSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001484118785 1395261645 /nfs/dbraw/zinc/26/16/45/1395261645.db2.gz HIGYJDARNDSSRC-GHTZIAJQSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001484170353 1395309224 /nfs/dbraw/zinc/30/92/24/1395309224.db2.gz ONKDTFWKRGUPJM-QUCCMNQESA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001484829369 1395567493 /nfs/dbraw/zinc/56/74/93/1395567493.db2.gz IJZIAKRPPYIQAE-OAQYLSRUSA-N 2 0 347.547 3.143 10 30 EGEERP C=CCCC[NH2+]CC1(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001485459038 1395931889 /nfs/dbraw/zinc/93/18/89/1395931889.db2.gz KNSZRKZSKAGPBN-HDICACEKSA-N 2 0 335.536 3.234 10 30 EGEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001493828064 1396343285 /nfs/dbraw/zinc/34/32/85/1396343285.db2.gz SLBPFQCRWWTITA-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001495947750 1396574305 /nfs/dbraw/zinc/57/43/05/1396574305.db2.gz LFPRIRJIRYYDFW-UHFFFAOYSA-N 2 0 343.515 3.347 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCCC1 ZINC001495963831 1396580475 /nfs/dbraw/zinc/58/04/75/1396580475.db2.gz SGQCYSIQNUPILV-MSOLQXFVSA-N 2 0 335.536 3.234 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001496398154 1396687762 /nfs/dbraw/zinc/68/77/62/1396687762.db2.gz DUPRSKNLDXFJKV-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001690719865 1404697160 /nfs/dbraw/zinc/69/71/60/1404697160.db2.gz WRZFCZRTAHELFY-WBVHZDCISA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690777130 1404725191 /nfs/dbraw/zinc/72/51/91/1404725191.db2.gz HUQFLHVKYCRHKW-MSOLQXFVSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001691411245 1405249196 /nfs/dbraw/zinc/24/91/96/1405249196.db2.gz FDYVPWAELVZDAJ-RTBURBONSA-N 2 0 347.547 3.045 10 30 EGEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001691677897 1405411984 /nfs/dbraw/zinc/41/19/84/1405411984.db2.gz JGHRKACTLHSBBM-YLJYHZDGSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001691813974 1405527860 /nfs/dbraw/zinc/52/78/60/1405527860.db2.gz OTXKIXYEMKVQLT-QZTJIDSGSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001692021348 1405739258 /nfs/dbraw/zinc/73/92/58/1405739258.db2.gz YSTBSGNMGLTDBR-HBFSDRIKSA-N 2 0 349.563 3.242 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001692121097 1405783453 /nfs/dbraw/zinc/78/34/53/1405783453.db2.gz NMODUUOHDRULGB-RBUKOAKNSA-N 2 0 347.547 3.330 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001692384347 1405990241 /nfs/dbraw/zinc/99/02/41/1405990241.db2.gz JSDFHNNQISTKJF-OALUTQOASA-N 2 0 335.536 3.118 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001699067221 1412493724 /nfs/dbraw/zinc/49/37/24/1412493724.db2.gz UAICJVSVVIDAIU-PMACEKPBSA-N 2 0 343.515 3.203 10 30 EGEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001699797794 1413207553 /nfs/dbraw/zinc/20/75/53/1413207553.db2.gz ZLUMHGKPVGNVCM-PKOBYXMFSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001732544471 1428717771 /nfs/dbraw/zinc/71/77/71/1428717771.db2.gz LIGDABBESCRVMD-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001732547738 1428725492 /nfs/dbraw/zinc/72/54/92/1428725492.db2.gz ZZJXDMYONAVYEA-XLIONFOSSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C2 ZINC001699977560 1413420788 /nfs/dbraw/zinc/42/07/88/1413420788.db2.gz QAQTUFLJSGDMOV-ACDBMABISA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001700199159 1413641131 /nfs/dbraw/zinc/64/11/31/1413641131.db2.gz UHBFZMPZSNEKBA-WOJBJXKFSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001707235865 1417256325 /nfs/dbraw/zinc/25/63/25/1417256325.db2.gz SFCPQWZJGJCYPM-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001707240931 1417261179 /nfs/dbraw/zinc/26/11/79/1417261179.db2.gz NFPDFFLKUHVXHU-IBGZPJMESA-N 2 0 335.536 3.189 10 30 EGEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001713097454 1417647644 /nfs/dbraw/zinc/64/76/44/1417647644.db2.gz SQUSLHATUTTZMC-IBGZPJMESA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001713144839 1417727723 /nfs/dbraw/zinc/72/77/23/1417727723.db2.gz DLUZFZANXPXMNQ-BGYRXZFFSA-N 2 0 347.547 3.284 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713230727 1417817885 /nfs/dbraw/zinc/81/78/85/1417817885.db2.gz IYBZWQHELQYJMS-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713238153 1417823700 /nfs/dbraw/zinc/82/37/00/1417823700.db2.gz DMQQBXFBZCWLQG-GOSISDBHSA-N 2 0 337.552 3.127 10 30 EGEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001713681231 1418432958 /nfs/dbraw/zinc/43/29/58/1418432958.db2.gz CPRCUMXKCHQVHU-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001713698163 1418453322 /nfs/dbraw/zinc/45/33/22/1418453322.db2.gz MGYUQIOWQOZYRW-UXHICEINSA-N 2 0 343.515 3.227 10 30 EGEERP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001713729566 1418513089 /nfs/dbraw/zinc/51/30/89/1418513089.db2.gz YNPXEHOYJKQSSU-RBUKOAKNSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001713848067 1418643753 /nfs/dbraw/zinc/64/37/53/1418643753.db2.gz RMMJLGZLOSGJAT-QZTJIDSGSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(N(CCC)C(=O)C[NH+]2CCCC2)CC1 ZINC001713857922 1418654892 /nfs/dbraw/zinc/65/48/92/1418654892.db2.gz DBSLBJNMNVHWQM-SFHVURJKSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001714130254 1418933649 /nfs/dbraw/zinc/93/36/49/1418933649.db2.gz RDTZBKSFZNVMIL-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001714130171 1418933693 /nfs/dbraw/zinc/93/36/93/1418933693.db2.gz YYWQETHWBDKWLM-UXHICEINSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCCC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@H]1C ZINC001714188847 1418995639 /nfs/dbraw/zinc/99/56/39/1418995639.db2.gz ONBVJJPFLVCBOW-CTNGQTDRSA-N 2 0 349.563 3.339 10 30 EGEERP C=CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001714290928 1419069727 /nfs/dbraw/zinc/06/97/27/1419069727.db2.gz GRMXEBBOQUKVQG-LJQANCHMSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1CC ZINC001733204313 1429310718 /nfs/dbraw/zinc/31/07/18/1429310718.db2.gz WVOCRIQAJVNAPL-IEBWSBKVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001714803141 1419516595 /nfs/dbraw/zinc/51/65/95/1419516595.db2.gz KQXPBTDSTTVTMP-MJGOQNOKSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)C[NH+]1CC[C@H](CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001714867613 1419594992 /nfs/dbraw/zinc/59/49/92/1419594992.db2.gz NEQQPEZEGCNOIR-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001715094441 1419835137 /nfs/dbraw/zinc/83/51/37/1419835137.db2.gz PEQUALZKYAAMBT-XLIONFOSSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001715462649 1420141986 /nfs/dbraw/zinc/14/19/86/1420141986.db2.gz WXYLUXHZWODTDY-LJQANCHMSA-N 2 0 335.536 3.189 10 30 EGEERP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001717034898 1421088673 /nfs/dbraw/zinc/08/86/73/1421088673.db2.gz CUCHBQWUEBRFKN-XUVXKRRUSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001717039291 1421093818 /nfs/dbraw/zinc/09/38/18/1421093818.db2.gz XJDCTALBJMILIP-UXHICEINSA-N 2 0 347.547 3.284 10 30 EGEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001717117725 1421122116 /nfs/dbraw/zinc/12/21/16/1421122116.db2.gz BEBLANNXNCEFLT-GOSISDBHSA-N 2 0 343.515 3.261 10 30 EGEERP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001717313182 1421259189 /nfs/dbraw/zinc/25/91/89/1421259189.db2.gz MWSBWLVPYBASCC-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC001717800165 1421629326 /nfs/dbraw/zinc/62/93/26/1421629326.db2.gz DATOLAMAZRBLHW-QUCCMNQESA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001717847793 1421661820 /nfs/dbraw/zinc/66/18/20/1421661820.db2.gz VGKOEZFRHPRPJQ-VAMGGRTRSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001733377957 1429561516 /nfs/dbraw/zinc/56/15/16/1429561516.db2.gz ABCFPHQXGBEOCI-PMACEKPBSA-N 2 0 347.547 3.234 10 30 EGEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1CC ZINC001733518430 1429727886 /nfs/dbraw/zinc/72/78/86/1429727886.db2.gz NNNPPGZHVGUMED-UXHICEINSA-N 2 0 343.515 3.055 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001723855796 1424585519 /nfs/dbraw/zinc/58/55/19/1424585519.db2.gz IFYZNISDLCKHQJ-NVXWUHKLSA-N 2 0 340.471 3.192 10 30 EGEERP C=CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001724126352 1424678207 /nfs/dbraw/zinc/67/82/07/1424678207.db2.gz RQANDHWBCQREPN-NRFANRHFSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001724325075 1424812195 /nfs/dbraw/zinc/81/21/95/1424812195.db2.gz UZOFVPGWMJPIHL-CTNGQTDRSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724324485 1424813575 /nfs/dbraw/zinc/81/35/75/1424813575.db2.gz QMWQWXNJMDMJSW-FQEVSTJZSA-N 2 0 347.547 3.047 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001724652450 1425013211 /nfs/dbraw/zinc/01/32/11/1425013211.db2.gz FPYDAUDSYSAKJR-RBUKOAKNSA-N 2 0 349.563 3.364 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001724999278 1425407537 /nfs/dbraw/zinc/40/75/37/1425407537.db2.gz CIZPMWAYCFDJOT-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001725790668 1426476657 /nfs/dbraw/zinc/47/66/57/1426476657.db2.gz INVIKIDJPBOLGQ-MSOLQXFVSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001731761644 1427865869 /nfs/dbraw/zinc/86/58/69/1427865869.db2.gz WDPSCCOIFJMIDV-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC001733681374 1429889955 /nfs/dbraw/zinc/88/99/55/1429889955.db2.gz DBDYPGIPDOWREX-KRWDZBQOSA-N 2 0 341.499 3.015 10 30 EGEERP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001734194999 1437936005 /nfs/dbraw/zinc/93/60/05/1437936005.db2.gz VAISCRJYCIMQRB-XUVXKRRUSA-N 2 0 347.547 3.045 10 30 EGEERP C=CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001734289970 1438020314 /nfs/dbraw/zinc/02/03/14/1438020314.db2.gz YGCRRUVAZKMUHJ-RTBURBONSA-N 2 0 335.536 3.090 10 30 EGEERP CCCCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001734426337 1438091804 /nfs/dbraw/zinc/09/18/04/1438091804.db2.gz OWAHBTMEVVLVSW-MOPGFXCFSA-N 2 0 337.552 3.268 10 30 EGEERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000181827442 162804436 /nfs/dbraw/zinc/80/44/36/162804436.db2.gz KVFPIBWNHMNCON-GOSISDBHSA-N 2 0 340.515 3.159 10 30 EGEERP COc1cc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)ccc1C#N ZINC000281615615 456276034 /nfs/dbraw/zinc/27/60/34/456276034.db2.gz HAICCXGKSWNSLJ-UHFFFAOYSA-N 2 0 327.403 3.057 10 30 EGEERP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(C#N)cc1F ZINC000358566986 458080670 /nfs/dbraw/zinc/08/06/70/458080670.db2.gz IPDFXHKTQCZXSD-HNNXBMFYSA-N 2 0 341.430 3.489 10 30 EGEERP CC[NH+](CC)CCO[C@@H]1CCN(CC#Cc2ccccc2Cl)C1 ZINC000441163608 458894913 /nfs/dbraw/zinc/89/49/13/458894913.db2.gz FFADFUPNKCYDOR-GOSISDBHSA-N 2 0 334.891 3.124 10 30 EGEERP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000594436252 460219861 /nfs/dbraw/zinc/21/98/61/460219861.db2.gz CDCXOAISXSWKDL-LJQANCHMSA-N 2 0 342.487 3.412 10 30 EGEERP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599350959 460235578 /nfs/dbraw/zinc/23/55/78/460235578.db2.gz CKWOLJOCSWYGLM-UHFFFAOYSA-N 2 0 343.515 3.437 10 30 EGEERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599372859 460241433 /nfs/dbraw/zinc/24/14/33/460241433.db2.gz NZOBLUKVVHTQKU-FXAWDEMLSA-N 2 0 329.488 3.093 10 30 EGEERP C[NH+](C)CCC1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735364323 575652473 /nfs/dbraw/zinc/65/24/73/575652473.db2.gz MNRTVUPRFJBASP-UHFFFAOYSA-N 2 0 335.879 3.406 10 30 EGEERP C#CCCCCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000878606428 1300105102 /nfs/dbraw/zinc/10/51/02/1300105102.db2.gz MRHMTOKBVLMKGW-JOCHJYFZSA-N 2 0 339.527 3.072 10 30 EGEERP C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000883218269 1302314460 /nfs/dbraw/zinc/31/44/60/1302314460.db2.gz XIERPGJGRGREHW-PZJWPPBQSA-N 2 0 329.532 3.180 10 30 EGEERP C=CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CCCCCC1 ZINC001323720984 1387429917 /nfs/dbraw/zinc/42/99/17/1387429917.db2.gz ACPRNDGLNRIGPS-UHFFFAOYSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC001324098109 1387540848 /nfs/dbraw/zinc/54/08/48/1387540848.db2.gz PIXLXLUKMQTYCD-IRXDYDNUSA-N 2 0 347.503 3.280 10 30 EGEERP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001324740094 1387758789 /nfs/dbraw/zinc/75/87/89/1387758789.db2.gz FWZTWRSPKBTKJD-PZJWPPBQSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001324944428 1387841032 /nfs/dbraw/zinc/84/10/32/1387841032.db2.gz QYTSZESZRYNSIC-FXAWDEMLSA-N 2 0 335.536 3.044 10 30 EGEERP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001195877201 1368509324 /nfs/dbraw/zinc/50/93/24/1368509324.db2.gz TURPAPXKLZTKSE-OAQYLSRUSA-N 2 0 346.434 3.218 10 30 EGEERP C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001325428849 1387970735 /nfs/dbraw/zinc/97/07/35/1387970735.db2.gz NWPBKRJISFXDKS-RTBURBONSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001327299953 1388491827 /nfs/dbraw/zinc/49/18/27/1388491827.db2.gz RMBMRNPFYKZDLZ-UXHICEINSA-N 2 0 349.563 3.245 10 30 EGEERP CCCCCCC[NH2+]C1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001266913741 1377402204 /nfs/dbraw/zinc/40/22/04/1377402204.db2.gz QQPZPKYLWBUFTD-UHFFFAOYSA-N 2 0 337.552 3.316 10 30 EGEERP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]21 ZINC001284099441 1379469102 /nfs/dbraw/zinc/46/91/02/1379469102.db2.gz AUNPYBAEOHAMHR-VAMGGRTRSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001284100160 1379470095 /nfs/dbraw/zinc/47/00/95/1379470095.db2.gz DUOZZBPLLFLXBP-SLFFLAALSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001151360398 1379705136 /nfs/dbraw/zinc/70/51/36/1379705136.db2.gz YCMUIFYOYACMHU-HXUWFJFHSA-N 2 0 343.515 3.055 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001284614750 1380013701 /nfs/dbraw/zinc/01/37/01/1380013701.db2.gz XLRCGLNMAKJMCE-SJORKVTESA-N 2 0 337.552 3.336 10 30 EGEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001284631253 1380035353 /nfs/dbraw/zinc/03/53/53/1380035353.db2.gz MNJHFSDMKZGTDH-JKSUJKDBSA-N 2 0 343.943 3.124 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)C ZINC001328467366 1388754600 /nfs/dbraw/zinc/75/46/00/1388754600.db2.gz DSPCBAXJDZZXBC-FXAWDEMLSA-N 2 0 343.515 3.008 10 30 EGEERP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001328503748 1388766655 /nfs/dbraw/zinc/76/66/55/1388766655.db2.gz USKBNFULQVSCDE-IBGZPJMESA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001316702432 1384530206 /nfs/dbraw/zinc/53/02/06/1384530206.db2.gz CSWVAEMTGXGCIL-QUCCMNQESA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001316768846 1384568533 /nfs/dbraw/zinc/56/85/33/1384568533.db2.gz BGYBZJAJVXDFJY-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001317085050 1384847606 /nfs/dbraw/zinc/84/76/06/1384847606.db2.gz DMOKYPVQOSDBTQ-VJANTYMQSA-N 2 0 335.536 3.211 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001317681913 1385391525 /nfs/dbraw/zinc/39/15/25/1385391525.db2.gz OMZQUVXPIOAHLK-RBUKOAKNSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001317876603 1385555623 /nfs/dbraw/zinc/55/56/23/1385555623.db2.gz KMALHUASSOPUMO-PMACEKPBSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)C[NH2+]C[C@]1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC[C@@H]1C ZINC001318742188 1385848705 /nfs/dbraw/zinc/84/87/05/1385848705.db2.gz AMRJDYWGMLKJTD-FXAWDEMLSA-N 2 0 337.552 3.195 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CCCCC1 ZINC001319651185 1386233471 /nfs/dbraw/zinc/23/34/71/1386233471.db2.gz LCGVVFOCAXSIIS-RBUKOAKNSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001319709002 1386262552 /nfs/dbraw/zinc/26/25/52/1386262552.db2.gz NZNWTOXKJHTQOK-FXAWDEMLSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001319820673 1386316882 /nfs/dbraw/zinc/31/68/82/1386316882.db2.gz YCLCGXZDKQMLPV-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001319876177 1386353144 /nfs/dbraw/zinc/35/31/44/1386353144.db2.gz IMEUMMBAVQCAQK-HXUWFJFHSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001319915109 1386387388 /nfs/dbraw/zinc/38/73/88/1386387388.db2.gz HYNJFMGAVVZYJY-ICSRJNTNSA-N 2 0 349.563 3.338 10 30 EGEERP CS[C@@H]1CC[C@H]([NH+](C)CC#CC[N@@H+](C)[C@H]2CC[C@H](SC)C2)C1 ZINC001321742955 1386972326 /nfs/dbraw/zinc/97/23/26/1386972326.db2.gz JOWZFHOHZPYGBO-XLAORIBOSA-N 2 0 340.602 3.422 10 30 EGEERP C=CCC[NH+]1CCC(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001698722711 1406369738 /nfs/dbraw/zinc/36/97/38/1406369738.db2.gz JKFRIPJARMDXEV-UHFFFAOYSA-N 2 0 340.471 3.051 10 30 EGEERP C=CCCC[NH+]1CCC(C2(NC(=O)C[N@@H+](C)CC(C)(C)C)CC2)CC1 ZINC001333181444 1390262808 /nfs/dbraw/zinc/26/28/08/1390262808.db2.gz ZWDGVVWONJXIBH-UHFFFAOYSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc(OC)c1O ZINC001333840554 1390419616 /nfs/dbraw/zinc/41/96/16/1390419616.db2.gz HJQAPPSFZVVDCN-GBESFXJTSA-N 2 0 344.499 3.291 10 30 EGEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001479315092 1392212005 /nfs/dbraw/zinc/21/20/05/1392212005.db2.gz XLBUERUCTKJVQY-NSHGMRRFSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001479745188 1392359925 /nfs/dbraw/zinc/35/99/25/1392359925.db2.gz JGHZHGZZOVAVKC-CEXWTWQISA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001479746276 1392362734 /nfs/dbraw/zinc/36/27/34/1392362734.db2.gz SDZWZWOQMQMJTE-IBGZPJMESA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001479747626 1392364512 /nfs/dbraw/zinc/36/45/12/1392364512.db2.gz CMAAPUXVIWDBBO-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001480254538 1392639629 /nfs/dbraw/zinc/63/96/29/1392639629.db2.gz DHQNWHMFHMBNNE-QUCCMNQESA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480266204 1392650669 /nfs/dbraw/zinc/65/06/69/1392650669.db2.gz QXCOSGJRZVVBEV-IBGZPJMESA-N 2 0 343.515 3.156 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480272710 1392655984 /nfs/dbraw/zinc/65/59/84/1392655984.db2.gz YJUGDICZZDRDRS-VQTJNVASSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001480404988 1392742513 /nfs/dbraw/zinc/74/25/13/1392742513.db2.gz KSEFKWRWTVZDKU-ACBHZAAOSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001480826233 1392964572 /nfs/dbraw/zinc/96/45/72/1392964572.db2.gz HUFKAHGUYILVAO-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001698938436 1406678033 /nfs/dbraw/zinc/67/80/33/1406678033.db2.gz NBNZBNYCSQKHKI-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001490606828 1394280380 /nfs/dbraw/zinc/28/03/80/1394280380.db2.gz AVZDTXBQAGKFEQ-MOPGFXCFSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001481999834 1394659271 /nfs/dbraw/zinc/65/92/71/1394659271.db2.gz 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EGEERP C=CCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498480986 1397027608 /nfs/dbraw/zinc/02/76/08/1397027608.db2.gz ONJHZEXSVSOTFV-OALUTQOASA-N 2 0 349.563 3.482 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001699033485 1406871922 /nfs/dbraw/zinc/87/19/22/1406871922.db2.gz ZUPIHIZLKXUVOL-VQTJNVASSA-N 2 0 343.515 3.203 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001690473522 1404596923 /nfs/dbraw/zinc/59/69/23/1404596923.db2.gz XOSMDSHOGLFHIG-MOPGFXCFSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001690732838 1404701356 /nfs/dbraw/zinc/70/13/56/1404701356.db2.gz QVAWCGCYQUUJEH-AZUAARDMSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001690814201 1404748883 /nfs/dbraw/zinc/74/88/83/1404748883.db2.gz CAYCLIJRRIBSOA-UXHICEINSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001690896858 1404806185 /nfs/dbraw/zinc/80/61/85/1404806185.db2.gz JFBLFQKFBWAWBN-GOSISDBHSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001690902349 1404810147 /nfs/dbraw/zinc/81/01/47/1404810147.db2.gz SUZLOVUXOFELFQ-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001691086607 1405020822 /nfs/dbraw/zinc/02/08/22/1405020822.db2.gz UPYKIKRDTHMYGT-NVXWUHKLSA-N 2 0 340.471 3.192 10 30 EGEERP CCCCCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001692007289 1405725645 /nfs/dbraw/zinc/72/56/45/1405725645.db2.gz ZRGYCRHNVCHGMW-IBGZPJMESA-N 2 0 337.552 3.221 10 30 EGEERP C=CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001732081964 1428337353 /nfs/dbraw/zinc/33/73/53/1428337353.db2.gz KPBPTQHREQOPCA-HXUWFJFHSA-N 2 0 343.515 3.006 10 30 EGEERP C=CCCC[NH2+]CCC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001732303270 1428520566 /nfs/dbraw/zinc/52/05/66/1428520566.db2.gz MKOYZUWXZLEWCN-HDICACEKSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001699753779 1413160487 /nfs/dbraw/zinc/16/04/87/1413160487.db2.gz UPGHMOSZDLRZOS-WBVHZDCISA-N 2 0 349.544 3.359 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CCCC1 ZINC001699798980 1413209656 /nfs/dbraw/zinc/20/96/56/1413209656.db2.gz MADHIJHYCGZTLZ-UXHICEINSA-N 2 0 349.563 3.338 10 30 EGEERP C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001700340790 1413821980 /nfs/dbraw/zinc/82/19/80/1413821980.db2.gz BUKCWFPRAWNNDJ-MOPGFXCFSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001700443250 1414016348 /nfs/dbraw/zinc/01/63/48/1414016348.db2.gz YQRHCVHZAFXVNS-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001701012858 1414673760 /nfs/dbraw/zinc/67/37/60/1414673760.db2.gz BOOLMAAXTZOIIR-ICSRJNTNSA-N 2 0 349.563 3.290 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001707046990 1417158858 /nfs/dbraw/zinc/15/88/58/1417158858.db2.gz AOXNGBHAJQDBIX-GBESFXJTSA-N 2 0 337.552 3.220 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001707258615 1417268459 /nfs/dbraw/zinc/26/84/59/1417268459.db2.gz LEQOWTRBPXSIID-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001712998036 1417549911 /nfs/dbraw/zinc/54/99/11/1417549911.db2.gz BOHFTBCCGVPMKF-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001712999935 1417552802 /nfs/dbraw/zinc/55/28/02/1417552802.db2.gz PDXDUKOISRJDOM-ROUUACIJSA-N 2 0 337.552 3.290 10 30 EGEERP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001713095881 1417645228 /nfs/dbraw/zinc/64/52/28/1417645228.db2.gz URLNGDMJRSOPKB-LJQANCHMSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001713133910 1417711481 /nfs/dbraw/zinc/71/14/81/1417711481.db2.gz CMLLIEITYIQOJO-PMACEKPBSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713199359 1417770714 /nfs/dbraw/zinc/77/07/14/1417770714.db2.gz ANNRNHDNZMNRKZ-FTEYMNFISA-N 2 0 347.547 3.375 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713242929 1417829034 /nfs/dbraw/zinc/82/90/34/1417829034.db2.gz NJQHHKUVESTAAT-IBGZPJMESA-N 2 0 343.515 3.156 10 30 EGEERP CCCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713251479 1417842165 /nfs/dbraw/zinc/84/21/65/1417842165.db2.gz IUVBOCBJNVIWDN-GUDVDZBRSA-N 2 0 337.552 3.268 10 30 EGEERP CCCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001713256203 1417855498 /nfs/dbraw/zinc/85/54/98/1417855498.db2.gz BRUUKEGXXIAUFO-CTNGQTDRSA-N 2 0 349.563 3.413 10 30 EGEERP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001713680436 1418432307 /nfs/dbraw/zinc/43/23/07/1418432307.db2.gz LLIDBGBZZGKKDM-AZUAARDMSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001713729565 1418513334 /nfs/dbraw/zinc/51/33/34/1418513334.db2.gz YNPXEHOYJKQSSU-OALUTQOASA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001714006658 1418786191 /nfs/dbraw/zinc/78/61/91/1418786191.db2.gz OCATYMGKAZYWSU-LJQANCHMSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001714067786 1418864030 /nfs/dbraw/zinc/86/40/30/1418864030.db2.gz SFUZILRBZBVXEO-RBUKOAKNSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001714153642 1418961156 /nfs/dbraw/zinc/96/11/56/1418961156.db2.gz KGPCIBALACXPDQ-ZWKOTPCHSA-N 2 0 337.552 3.147 10 30 EGEERP CCCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001714301603 1419081835 /nfs/dbraw/zinc/08/18/35/1419081835.db2.gz AYWWAZPAPFQERI-FHWLQOOXSA-N 2 0 337.552 3.458 10 30 EGEERP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001714405643 1419147281 /nfs/dbraw/zinc/14/72/81/1419147281.db2.gz CTVOYGWHYDAMMZ-ZWKOTPCHSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001714915389 1419665719 /nfs/dbraw/zinc/66/57/19/1419665719.db2.gz UAVQRNMIUVTMMP-FQEVSTJZSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001715393426 1420090990 /nfs/dbraw/zinc/09/09/90/1420090990.db2.gz ZUHVOAXPLMAYCU-MJGOQNOKSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)C[N@H+](C)CCC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001715485040 1420164982 /nfs/dbraw/zinc/16/49/82/1420164982.db2.gz OFCSPFAIRJTGQO-UHFFFAOYSA-N 2 0 349.563 3.389 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001716053724 1420518134 /nfs/dbraw/zinc/51/81/34/1420518134.db2.gz LLAKYNSBSDUFHX-MOPGFXCFSA-N 2 0 337.552 3.220 10 30 EGEERP C=CC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CCCCCC1 ZINC001733278506 1429446435 /nfs/dbraw/zinc/44/64/35/1429446435.db2.gz RHPDCAICKSMDSX-VQTJNVASSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001716846183 1420973799 /nfs/dbraw/zinc/97/37/99/1420973799.db2.gz KTNIXSRIJXNORH-FQEVSTJZSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001716966206 1421055021 /nfs/dbraw/zinc/05/50/21/1421055021.db2.gz NXMBTELJOGBRIK-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001717453103 1421383111 /nfs/dbraw/zinc/38/31/11/1421383111.db2.gz CXQRZALZUVVFFC-UHFFFAOYSA-N 2 0 337.533 3.074 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001717584797 1421511422 /nfs/dbraw/zinc/51/14/22/1421511422.db2.gz CUFBPURMZMCRGW-ZWKOTPCHSA-N 2 0 337.552 3.125 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001717702544 1421575764 /nfs/dbraw/zinc/57/57/64/1421575764.db2.gz ZPFHXMOSWYPWAL-QZTJIDSGSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001717874217 1421681795 /nfs/dbraw/zinc/68/17/95/1421681795.db2.gz ADBCQDJJBPXAKW-IRXDYDNUSA-N 2 0 340.471 3.097 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)(C)C ZINC001717964812 1421736473 /nfs/dbraw/zinc/73/64/73/1421736473.db2.gz DZLAKXWAUWUGGH-MSOLQXFVSA-N 2 0 337.552 3.195 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001733354083 1429534727 /nfs/dbraw/zinc/53/47/27/1429534727.db2.gz YORDSNUUUGUZOB-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001724758026 1425128489 /nfs/dbraw/zinc/12/84/89/1425128489.db2.gz DNGMYLXQOPKBRP-LJQANCHMSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@H]1C ZINC001724991873 1425394745 /nfs/dbraw/zinc/39/47/45/1425394745.db2.gz IRLUOLUBHYYWAY-SJORKVTESA-N 2 0 335.536 3.185 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001725230532 1425803453 /nfs/dbraw/zinc/80/34/53/1425803453.db2.gz VPOLDILFLZLNOU-ZWKOTPCHSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001725737671 1426412592 /nfs/dbraw/zinc/41/25/92/1426412592.db2.gz DTMRIQHRENGTPZ-PKOBYXMFSA-N 2 0 349.563 3.338 10 30 EGEERP C=CCCC[NH+]1CCC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001731348458 1427286086 /nfs/dbraw/zinc/28/60/86/1427286086.db2.gz GSBBQFKLVLXVGW-UHFFFAOYSA-N 2 0 349.563 3.388 10 30 EGEERP CCCCCCC[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001731351968 1427291478 /nfs/dbraw/zinc/29/14/78/1427291478.db2.gz IPLGHDFGZDUKPD-SFHVURJKSA-N 2 0 337.552 3.221 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733598367 1429797788 /nfs/dbraw/zinc/79/77/88/1429797788.db2.gz LBKPSIUKEPPZFD-RTBURBONSA-N 2 0 347.547 3.282 10 30 EGEERP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001733682949 1429896035 /nfs/dbraw/zinc/89/60/35/1429896035.db2.gz NMSKVIXRJYRDRU-XLIONFOSSA-N 2 0 343.515 3.260 10 30 EGEERP C=CCCC[N@H+]1Cc2ccc(CNC(=O)C3([NH+](C)C)CCC3)cc2C1 ZINC001733835769 1430107983 /nfs/dbraw/zinc/10/79/83/1430107983.db2.gz IBQXUPAOQCQGOR-UHFFFAOYSA-N 2 0 341.499 3.069 10 30 EGEERP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001733869381 1437695507 /nfs/dbraw/zinc/69/55/07/1437695507.db2.gz BREQIKBEMOBLEC-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[N@@H+](CC)CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001733920135 1437733560 /nfs/dbraw/zinc/73/35/60/1437733560.db2.gz WNUBWGRSCYPKDI-UHFFFAOYSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001734192458 1437933768 /nfs/dbraw/zinc/93/37/68/1437933768.db2.gz FIEOGXREJDHHQT-GBESFXJTSA-N 2 0 349.563 3.147 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC001734497449 1438133197 /nfs/dbraw/zinc/13/31/97/1438133197.db2.gz REEKHWNXIYNSDL-RTBURBONSA-N 2 0 349.563 3.125 10 30 EGEERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600718370 460577367 /nfs/dbraw/zinc/57/73/67/460577367.db2.gz WXXNPROLOCZVCQ-YLJYHZDGSA-N 2 0 341.499 3.205 10 30 EGEERP C=CCCC[C@@H](C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000091579973 454447241 /nfs/dbraw/zinc/44/72/41/454447241.db2.gz ZSMSWSCLYZZSCQ-QGZVFWFLSA-N 2 0 337.552 3.147 10 30 EGEERP CSC[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](CSC)C2)C1 ZINC000429308384 458314871 /nfs/dbraw/zinc/31/48/71/458314871.db2.gz QBZTZEBTRAYMAK-ROUUACIJSA-N 2 0 340.602 3.140 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000876719248 1298936132 /nfs/dbraw/zinc/93/61/32/1298936132.db2.gz GQLYSZCHHHGCAF-RDTXWAMCSA-N 2 0 349.906 3.005 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000876739853 1298952665 /nfs/dbraw/zinc/95/26/65/1298952665.db2.gz JQBCKHFUYYZDSU-SFHVURJKSA-N 2 0 349.906 3.005 10 30 EGEERP C#C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000895332895 1309285776 /nfs/dbraw/zinc/28/57/76/1309285776.db2.gz QVXGYHDNGNWCKU-QESAQDPVSA-N 2 0 338.495 3.058 10 30 EGEERP N#Cc1cccc(C2([NH2+]CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)c1 ZINC000923388321 1322743833 /nfs/dbraw/zinc/74/38/33/1322743833.db2.gz IFGZLMKTNCYBMH-XGSMCBPESA-N 2 0 339.483 3.074 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801296 1331199288 /nfs/dbraw/zinc/19/92/88/1331199288.db2.gz RUMNZCNNYNGZIJ-MOPGFXCFSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940945261 1331265264 /nfs/dbraw/zinc/26/52/64/1331265264.db2.gz ZNOYTXDNTSLVNN-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941075417 1331320922 /nfs/dbraw/zinc/32/09/22/1331320922.db2.gz KUWVUGBCTCTSDT-RTBURBONSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC001324098105 1387541317 /nfs/dbraw/zinc/54/13/17/1387541317.db2.gz PIXLXLUKMQTYCD-DLBZAZTESA-N 2 0 347.503 3.280 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001324482733 1387640477 /nfs/dbraw/zinc/64/04/77/1387640477.db2.gz NDPGFWWWYUKPAR-PKOBYXMFSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001324482729 1387640894 /nfs/dbraw/zinc/64/08/94/1387640894.db2.gz NDPGFWWWYUKPAR-HKUYNNGSSA-N 2 0 347.547 3.234 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001324935251 1387831039 /nfs/dbraw/zinc/83/10/39/1387831039.db2.gz BSBIFWKYZHDDCU-IBGZPJMESA-N 2 0 349.544 3.218 10 30 EGEERP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001324945308 1387842054 /nfs/dbraw/zinc/84/20/54/1387842054.db2.gz YFLIAMCSLBMJNB-NRFANRHFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001266111214 1377189892 /nfs/dbraw/zinc/18/98/92/1377189892.db2.gz YDFBBVDJGFCOJO-ZWKOTPCHSA-N 2 0 337.552 3.242 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001272271274 1377663882 /nfs/dbraw/zinc/66/38/82/1377663882.db2.gz LVMKAHVGHABPDY-NVXWUHKLSA-N 2 0 349.544 3.264 10 30 EGEERP C=CCCCCC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001277423803 1378222191 /nfs/dbraw/zinc/22/21/91/1378222191.db2.gz VZKCTGLAUGDVKF-OALUTQOASA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001281683198 1378448678 /nfs/dbraw/zinc/44/86/78/1378448678.db2.gz NDFDGPBRMWUDPJ-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001327695945 1388585322 /nfs/dbraw/zinc/58/53/22/1388585322.db2.gz MAODISVRFXAVCN-UZLBHIALSA-N 2 0 343.515 3.313 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001284100162 1379469693 /nfs/dbraw/zinc/46/96/93/1379469693.db2.gz DUOZZBPLLFLXBP-XUVXKRRUSA-N 2 0 347.547 3.045 10 30 EGEERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001167659899 1383702660 /nfs/dbraw/zinc/70/26/60/1383702660.db2.gz WQOIPKSBELIQIN-QGZVFWFLSA-N 2 0 326.488 3.430 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001317169324 1384934329 /nfs/dbraw/zinc/93/43/29/1384934329.db2.gz ZFGVVDCVHYEVKL-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001317682386 1385392290 /nfs/dbraw/zinc/39/22/90/1385392290.db2.gz BWZKFUVARHYBCD-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317762771 1385452068 /nfs/dbraw/zinc/45/20/68/1385452068.db2.gz ZKCYGCHCDVGKKS-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[NH+]1CCC(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001319038706 1385940738 /nfs/dbraw/zinc/94/07/38/1385940738.db2.gz UEPYBSHJFBCTJG-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001319820558 1386316887 /nfs/dbraw/zinc/31/68/87/1386316887.db2.gz OUQSILNEGPAXCK-MSOLQXFVSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698676516 1406324510 /nfs/dbraw/zinc/32/45/10/1406324510.db2.gz HDFWKADOVYLIBE-IBGZPJMESA-N 2 0 349.563 3.293 10 30 EGEERP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001329230104 1389028908 /nfs/dbraw/zinc/02/89/08/1389028908.db2.gz GOJHOGDBARSTSA-WZOJCFFYSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001329256638 1389037928 /nfs/dbraw/zinc/03/79/28/1389037928.db2.gz IXFYZARBOGIWGI-SOAGJPPSSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001479995278 1392527268 /nfs/dbraw/zinc/52/72/68/1392527268.db2.gz JRXHXKONSGWQDJ-UYAOXDASSA-N 2 0 347.547 3.282 10 30 EGEERP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001480828335 1392967851 /nfs/dbraw/zinc/96/78/51/1392967851.db2.gz OUXOSZRRDPHGAG-ICSRJNTNSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001481335614 1393166143 /nfs/dbraw/zinc/16/61/43/1393166143.db2.gz UTMQIEOLQOTTGC-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001698894508 1406626486 /nfs/dbraw/zinc/62/64/86/1406626486.db2.gz WVHFEIKFXVFQEW-MJGOQNOKSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001481434820 1394290732 /nfs/dbraw/zinc/29/07/32/1394290732.db2.gz FGXVVPBQCPYYBG-UYAOXDASSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001482023076 1394679765 /nfs/dbraw/zinc/67/97/65/1394679765.db2.gz VIIAIGXCHBGGJO-FHWLQOOXSA-N 2 0 335.536 3.234 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CCCC1 ZINC001484001143 1395179230 /nfs/dbraw/zinc/17/92/30/1395179230.db2.gz NHUPRQGDPROEFD-LJQANCHMSA-N 2 0 349.563 3.482 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001484158766 1395294531 /nfs/dbraw/zinc/29/45/31/1395294531.db2.gz IFYJJIVXWYWYAK-UYAOXDASSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001698988435 1406774725 /nfs/dbraw/zinc/77/47/25/1406774725.db2.gz BFOBUELRCSUXPE-PKOBYXMFSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC001486235666 1396186110 /nfs/dbraw/zinc/18/61/10/1396186110.db2.gz DOGNAGVOMRKDJX-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001493130881 1396336830 /nfs/dbraw/zinc/33/68/30/1396336830.db2.gz QZMTVXPGNZBHLE-VQTJNVASSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001494583575 1396476364 /nfs/dbraw/zinc/47/63/64/1396476364.db2.gz KHAMMZCEOFKPHT-YLJYHZDGSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001496338988 1396656202 /nfs/dbraw/zinc/65/62/02/1396656202.db2.gz DSJUGKDMIBRMPP-NVXWUHKLSA-N 2 0 349.544 3.216 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001689271045 1397004924 /nfs/dbraw/zinc/00/49/24/1397004924.db2.gz AZEDREODSIWGJP-IBGZPJMESA-N 2 0 347.547 3.189 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001699027539 1406863952 /nfs/dbraw/zinc/86/39/52/1406863952.db2.gz IONWWUNHHDRXPY-MJGOQNOKSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001690151978 1404351377 /nfs/dbraw/zinc/35/13/77/1404351377.db2.gz WWKQODHMMOWSCS-UYAOXDASSA-N 2 0 347.547 3.092 10 30 EGEERP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001690357727 1404492569 /nfs/dbraw/zinc/49/25/69/1404492569.db2.gz DMOKYPVQOSDBTQ-ZSYWTGECSA-N 2 0 335.536 3.211 10 30 EGEERP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001690459939 1404590638 /nfs/dbraw/zinc/59/06/38/1404590638.db2.gz WAYBRDXENUKOOJ-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001690718400 1404697135 /nfs/dbraw/zinc/69/71/35/1404697135.db2.gz GRRCGLVVVIVYIR-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001690826593 1404764341 /nfs/dbraw/zinc/76/43/41/1404764341.db2.gz KIMCYUNELVBCBZ-HXUWFJFHSA-N 2 0 343.515 3.251 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001691401637 1405238063 /nfs/dbraw/zinc/23/80/63/1405238063.db2.gz RKBDOAKRYZHGRJ-HSALFYBXSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C1CCCCC1 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EGEERP C=C(C)CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001707274493 1417281133 /nfs/dbraw/zinc/28/11/33/1417281133.db2.gz DEZYIKPHENLVAW-PMACEKPBSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001713117253 1417682319 /nfs/dbraw/zinc/68/23/19/1417682319.db2.gz ROWXBPVJSSXAID-VQTJNVASSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001713141286 1417723110 /nfs/dbraw/zinc/72/31/10/1417723110.db2.gz BWSRFFMHZOAGDL-BGYRXZFFSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001713891363 1418688007 /nfs/dbraw/zinc/68/80/07/1418688007.db2.gz HUFBNWHWIWELKH-VQTJNVASSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[NH2+]C[C@]1(NC(=O)CC[NH+]2CCCCC2)CCCC[C@@H]1C ZINC001714188882 1418995668 /nfs/dbraw/zinc/99/56/68/1418995668.db2.gz YLWWONHCRUHVDO-PZJWPPBQSA-N 2 0 349.563 3.483 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001714327054 1419105803 /nfs/dbraw/zinc/10/58/03/1419105803.db2.gz IMAXTJNSDSGZCW-PMACEKPBSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001714331630 1419111711 /nfs/dbraw/zinc/11/17/11/1419111711.db2.gz APIVBHXCVCSQFA-HXUWFJFHSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001716052939 1420517752 /nfs/dbraw/zinc/51/77/52/1420517752.db2.gz HFZHJTBQXPVCTP-WOJBJXKFSA-N 2 0 347.547 3.142 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001717030879 1421084921 /nfs/dbraw/zinc/08/49/21/1421084921.db2.gz GJEXDFUBNSJHLE-QRVBRYPASA-N 2 0 337.552 3.362 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001717198231 1421165170 /nfs/dbraw/zinc/16/51/70/1421165170.db2.gz NSXGTEMKUVAXPO-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001717218105 1421196062 /nfs/dbraw/zinc/19/60/62/1421196062.db2.gz ZDRLMMKZUZXQNM-WOJBJXKFSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001717308390 1421250567 /nfs/dbraw/zinc/25/05/67/1421250567.db2.gz RDKUDIUONJKCJJ-GOSISDBHSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001717627394 1421536390 /nfs/dbraw/zinc/53/63/90/1421536390.db2.gz PXMVHFRLUZJNHA-ZCNNSNEGSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001717627391 1421536757 /nfs/dbraw/zinc/53/67/57/1421536757.db2.gz PXMVHFRLUZJNHA-SLFFLAALSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001717669038 1421558772 /nfs/dbraw/zinc/55/87/72/1421558772.db2.gz NQAMLTRBDHYSHU-ZWKOTPCHSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001733333169 1429518415 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C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001733875141 1437701462 /nfs/dbraw/zinc/70/14/62/1437701462.db2.gz HVOOVKHKMQCAQK-LJQANCHMSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001733932605 1437745833 /nfs/dbraw/zinc/74/58/33/1437745833.db2.gz PIOVYMWDAYSRQU-RBUKOAKNSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001734012376 1437803877 /nfs/dbraw/zinc/80/38/77/1437803877.db2.gz WXGVLVYEPMNASR-XEVCZEQESA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001750946221 1440118890 /nfs/dbraw/zinc/11/88/90/1440118890.db2.gz YKIIYQNRGXVSKL-RTBURBONSA-N 2 0 349.563 3.290 10 30 EGEERP CCC[NH+]1CCN(c2ccccc2CN2CCC[C@](C)(C#N)C2)CC1 ZINC000612406464 460621862 /nfs/dbraw/zinc/62/18/62/460621862.db2.gz MUCNJCYFJRHJGC-OAQYLSRUSA-N 2 0 340.515 3.344 10 30 EGEERP CC(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000271917322 455798873 /nfs/dbraw/zinc/79/88/73/455798873.db2.gz ZFHQULXTNKDJRI-TZIWHRDSSA-N 2 0 341.499 3.173 10 30 EGEERP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271062426 456117015 /nfs/dbraw/zinc/11/70/15/456117015.db2.gz HGKDOAFIJMEIAV-NYLDSWQDSA-N 2 0 343.515 3.337 10 30 EGEERP CC[N@H+](CCC1CCN(Cc2nc(C#N)cs2)CC1)CC1CC1 ZINC000356125173 457467795 /nfs/dbraw/zinc/46/77/95/457467795.db2.gz KHYHCFSGAXUGKJ-UHFFFAOYSA-N 2 0 332.517 3.349 10 30 EGEERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(C#N)cc1F ZINC000595051531 459229032 /nfs/dbraw/zinc/22/90/32/459229032.db2.gz VTMVRAPHOZTGCI-OAHLLOKOSA-N 2 0 345.462 3.239 10 30 EGEERP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594441641 460220998 /nfs/dbraw/zinc/22/09/98/460220998.db2.gz UBAGXRKGSFJBAL-LPHOPBHVSA-N 2 0 342.487 3.268 10 30 EGEERP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC2CCCCC2)[C@@H]1c1cccs1 ZINC000095963352 1292946368 /nfs/dbraw/zinc/94/63/68/1292946368.db2.gz JYOLFIDLWONDII-RHSMWYFYSA-N 2 0 334.533 3.368 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000876719626 1298937213 /nfs/dbraw/zinc/93/72/13/1298937213.db2.gz QAARKDXSFDYKDL-WMLDXEAASA-N 2 0 335.879 3.469 10 30 EGEERP C=CCC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCCO1 ZINC000883234635 1302324873 /nfs/dbraw/zinc/32/48/73/1302324873.db2.gz JJTIOIUIENYIKO-NHCUHLMSSA-N 2 0 343.515 3.397 10 30 EGEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000924883761 1323199101 /nfs/dbraw/zinc/19/91/01/1323199101.db2.gz TZJXQVQOPHYTNW-UHFFFAOYSA-N 2 0 343.393 3.213 10 30 EGEERP C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000866617124 1330133754 /nfs/dbraw/zinc/13/37/54/1330133754.db2.gz FMGOVECORPXXQG-HRAATJIYSA-N 2 0 349.478 3.317 10 30 EGEERP C=CCCC[NH+]1CCC([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001325364741 1387950314 /nfs/dbraw/zinc/95/03/14/1387950314.db2.gz YSDSNCVPCHEPPS-FQEVSTJZSA-N 2 0 349.563 3.245 10 30 EGEERP 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ZINC001485239751 1395732837 /nfs/dbraw/zinc/73/28/37/1395732837.db2.gz ACDPYCWHNYCNRE-UHFFFAOYSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001494583568 1396476232 /nfs/dbraw/zinc/47/62/32/1396476232.db2.gz KHAMMZCEOFKPHT-FXAWDEMLSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001699008409 1406834484 /nfs/dbraw/zinc/83/44/84/1406834484.db2.gz IVNXSDPAHPLLNL-RTBURBONSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)C ZINC001496576519 1396716984 /nfs/dbraw/zinc/71/69/84/1396716984.db2.gz YUVMTOZEFVVMBE-INIZCTEOSA-N 2 0 343.943 3.122 10 30 EGEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001690126878 1404320305 /nfs/dbraw/zinc/32/03/05/1404320305.db2.gz XOMSQAKYGFOADH-MOPGFXCFSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001690215472 1404423453 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349.563 3.388 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)c1sccc1C[NH+](C)C ZINC001731751859 1427847920 /nfs/dbraw/zinc/84/79/20/1427847920.db2.gz ZURRBAMOSPBSBE-QGZVFWFLSA-N 2 0 349.544 3.360 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001732074721 1428325414 /nfs/dbraw/zinc/32/54/14/1428325414.db2.gz JVXZKVSRUFYUJA-UYAOXDASSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001732404036 1428568040 /nfs/dbraw/zinc/56/80/40/1428568040.db2.gz PURKANWWABAWCO-IBGZPJMESA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001699681125 1413075297 /nfs/dbraw/zinc/07/52/97/1413075297.db2.gz WUBLZNHCXYQSGF-IHWFROFDSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)CC[NH+]1CCC(C)(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001699864118 1413299887 /nfs/dbraw/zinc/29/98/87/1413299887.db2.gz PARIGURGCZVFDO-UHFFFAOYSA-N 2 0 349.563 3.437 10 30 EGEERP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001699977718 1413421563 /nfs/dbraw/zinc/42/15/63/1413421563.db2.gz RXQLCZZHDOJTCY-YRPNKDGESA-N 2 0 347.547 3.042 10 30 EGEERP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001700095411 1413510777 /nfs/dbraw/zinc/51/07/77/1413510777.db2.gz YSCSXQGDAFMTEJ-QGZVFWFLSA-N 2 0 341.499 3.158 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001700823911 1414480000 /nfs/dbraw/zinc/48/00/00/1414480000.db2.gz RXEHKLNUOKGFMJ-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001712998033 1417549511 /nfs/dbraw/zinc/54/95/11/1417549511.db2.gz BOHFTBCCGVPMKF-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001713511227 1418238803 /nfs/dbraw/zinc/23/88/03/1418238803.db2.gz PXURABYWTISZJL-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP 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ZINC001715181800 1419915560 /nfs/dbraw/zinc/91/55/60/1419915560.db2.gz GULYTRZWAYKUMA-QAQDUYKDSA-N 2 0 349.544 3.407 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001715181957 1419916158 /nfs/dbraw/zinc/91/61/58/1419916158.db2.gz GGLPEMSWSCMGEI-LWYYNNOASA-N 2 0 349.563 3.479 10 30 EGEERP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001715392111 1420089373 /nfs/dbraw/zinc/08/93/73/1420089373.db2.gz QFQGTWJKHQUJMX-DNVCBOLYSA-N 2 0 340.471 3.049 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001715481918 1420161161 /nfs/dbraw/zinc/16/11/61/1420161161.db2.gz WHCHUQVGWRZVRR-AZUAARDMSA-N 2 0 349.563 3.290 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001716053727 1420518099 /nfs/dbraw/zinc/51/80/99/1420518099.db2.gz LLAKYNSBSDUFHX-RTBURBONSA-N 2 0 337.552 3.220 10 30 EGEERP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001733268910 1429429928 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C=C(C)C[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C(C)(C)C ZINC001717964372 1421735627 /nfs/dbraw/zinc/73/56/27/1421735627.db2.gz SYCSBDZJWIWBIC-GOSISDBHSA-N 2 0 337.552 3.338 10 30 EGEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001717978611 1421749849 /nfs/dbraw/zinc/74/98/49/1421749849.db2.gz BOOLMAAXTZOIIR-QUCCMNQESA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001722944274 1424270526 /nfs/dbraw/zinc/27/05/26/1424270526.db2.gz LKMPKURTUYXCJN-MSOLQXFVSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001723649327 1424514443 /nfs/dbraw/zinc/51/44/43/1424514443.db2.gz MAKNDUZXCPQZBI-UHFFFAOYSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001723678963 1424526069 /nfs/dbraw/zinc/52/60/69/1424526069.db2.gz HIRVZBZUCBJFQM-GHTZIAJQSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC 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MCYWKTXGLZXWBT-UHFFFAOYSA-N 2 0 335.536 3.047 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001725230530 1425803613 /nfs/dbraw/zinc/80/36/13/1425803613.db2.gz VPOLDILFLZLNOU-QZTJIDSGSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001725238873 1425836164 /nfs/dbraw/zinc/83/61/64/1425836164.db2.gz HGQVJFDMBPFDLM-IBGZPJMESA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001725830524 1426508868 /nfs/dbraw/zinc/50/88/68/1426508868.db2.gz SAOLJXKGYICHII-UYAOXDASSA-N 2 0 347.547 3.210 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001731532671 1427523850 /nfs/dbraw/zinc/52/38/50/1427523850.db2.gz YTFRJIGUJWGBDG-IBGZPJMESA-N 2 0 343.515 3.156 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001731553898 1427577598 /nfs/dbraw/zinc/57/75/98/1427577598.db2.gz ZPLAZKQDBOUTKF-OALUTQOASA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001733604715 1429814116 /nfs/dbraw/zinc/81/41/16/1429814116.db2.gz YNGQZNHHFQAGHJ-CEXWTWQISA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001734012040 1437803299 /nfs/dbraw/zinc/80/32/99/1437803299.db2.gz BOKBASQVTDGENR-ACBHZAAOSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001734456654 1438113901 /nfs/dbraw/zinc/11/39/01/1438113901.db2.gz HKDBOZSVLUAOAZ-ICSRJNTNSA-N 2 0 349.563 3.434 10 30 EGEERP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358437170 287022801 /nfs/dbraw/zinc/02/28/01/287022801.db2.gz FCOZGADXCQSELV-OWCLPIDISA-N 2 0 333.451 3.237 10 30 EGEERP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000352839929 273868226 /nfs/dbraw/zinc/86/82/26/273868226.db2.gz SGRRLSDPTGUOHS-UHFFFAOYSA-N 2 0 325.378 3.399 10 30 EGEERP CC1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cc2)CC1 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C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001324880568 1387803076 /nfs/dbraw/zinc/80/30/76/1387803076.db2.gz ORLUOEMXYPUHQH-IBGZPJMESA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001325655522 1388023001 /nfs/dbraw/zinc/02/30/01/1388023001.db2.gz DYIYKMVZIQMKNK-WGSAOQKQSA-N 2 0 349.563 3.339 10 30 EGEERP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001326496243 1388219732 /nfs/dbraw/zinc/21/97/32/1388219732.db2.gz WZDZWCLTOIOTOJ-ROUUACIJSA-N 2 0 343.515 3.184 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001326566647 1388241852 /nfs/dbraw/zinc/24/18/52/1388241852.db2.gz MOZLCUISNPVJKT-LWYYNNOASA-N 2 0 349.563 3.480 10 30 EGEERP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001267563732 1377457656 /nfs/dbraw/zinc/45/76/56/1377457656.db2.gz DSBVPPUIHDCSER-QUCCMNQESA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH+]1CCC(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001270158387 1377596656 /nfs/dbraw/zinc/59/66/56/1377596656.db2.gz UEVYCSMEDMFUTO-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001279045590 1378296487 /nfs/dbraw/zinc/29/64/87/1378296487.db2.gz LJFPPOCGNAMMPT-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001282682642 1378555858 /nfs/dbraw/zinc/55/58/58/1378555858.db2.gz SFUHJMWJZYQQOS-IBGZPJMESA-N 2 0 335.536 3.189 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001282727158 1378580695 /nfs/dbraw/zinc/58/06/95/1378580695.db2.gz ZPPMDVDGQZXKCM-ZWKOTPCHSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC001284058358 1379409938 /nfs/dbraw/zinc/40/99/38/1379409938.db2.gz QJGSWDYCGIHRFO-BNDYYXHWSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC001284331343 1379727522 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C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001319693109 1386254457 /nfs/dbraw/zinc/25/44/57/1386254457.db2.gz XTCQKEMNVSNDCO-HNAYVOBHSA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001319693106 1386254517 /nfs/dbraw/zinc/25/45/17/1386254517.db2.gz XTCQKEMNVSNDCO-DNVCBOLYSA-N 2 0 340.471 3.049 10 30 EGEERP C=CCc1cc(OC)cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1O ZINC001337806590 1389448603 /nfs/dbraw/zinc/44/86/03/1389448603.db2.gz UMFUNYZVFOQZES-LNLFQRSKSA-N 2 0 344.499 3.291 10 30 EGEERP C=CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001698740324 1406391255 /nfs/dbraw/zinc/39/12/55/1406391255.db2.gz YPPXZLPZLPSLNL-UHFFFAOYSA-N 2 0 347.547 3.143 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001332118796 1389995910 /nfs/dbraw/zinc/99/59/10/1389995910.db2.gz QMOUUUPFHHLLOF-FPOVZHCZSA-N 2 0 347.547 3.332 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001333179664 1390261893 /nfs/dbraw/zinc/26/18/93/1390261893.db2.gz JMRSBPXUAONLQS-QGZVFWFLSA-N 2 0 347.547 3.044 10 30 EGEERP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC001341119251 1390443214 /nfs/dbraw/zinc/44/32/14/1390443214.db2.gz HKMVJPZLRVGVQW-NQIIRXRSSA-N 2 0 343.515 3.402 10 30 EGEERP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001479597573 1392284924 /nfs/dbraw/zinc/28/49/24/1392284924.db2.gz NEIXBOSDUUIJDQ-HSALFYBXSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001479692443 1392323834 /nfs/dbraw/zinc/32/38/34/1392323834.db2.gz QZFATHPUNHTQTC-LJQANCHMSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001479995277 1392527374 /nfs/dbraw/zinc/52/73/74/1392527374.db2.gz JRXHXKONSGWQDJ-QUCCMNQESA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480829238 1392968294 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HFURUDKFUXPJKO-OALUTQOASA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001491270863 1394498977 /nfs/dbraw/zinc/49/89/77/1394498977.db2.gz IUWJIJOUHBGPSE-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001481986161 1394648398 /nfs/dbraw/zinc/64/83/98/1394648398.db2.gz JVHQMPSHRGBSHL-UXHICEINSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001482010168 1394669750 /nfs/dbraw/zinc/66/97/50/1394669750.db2.gz MXSSDGNIZGEIQJ-FQEVSTJZSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001482015622 1394673166 /nfs/dbraw/zinc/67/31/66/1394673166.db2.gz BEBTVXBKKFTFIT-VAMGGRTRSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001482055856 1394717907 /nfs/dbraw/zinc/71/79/07/1394717907.db2.gz JUDTWVOBLHWXRO-AZUAARDMSA-N 2 0 347.547 3.188 10 30 EGEERP 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ZINC001495391448 1396534839 /nfs/dbraw/zinc/53/48/39/1396534839.db2.gz OZDKLUVURCTHDP-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCCC1 ZINC001495939372 1396572717 /nfs/dbraw/zinc/57/27/17/1396572717.db2.gz RDNXQJWUUPTDPL-IBGZPJMESA-N 2 0 347.547 3.378 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCCC1 ZINC001495963832 1396580307 /nfs/dbraw/zinc/58/03/07/1396580307.db2.gz SGQCYSIQNUPILV-QZTJIDSGSA-N 2 0 335.536 3.234 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001689270053 1397001284 /nfs/dbraw/zinc/00/12/84/1397001284.db2.gz GSWKXXXJWVQBSA-GOSISDBHSA-N 2 0 337.552 3.291 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001689365415 1403705155 /nfs/dbraw/zinc/70/51/55/1403705155.db2.gz FVJLBJYVFKWHIK-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001690450509 1404575754 /nfs/dbraw/zinc/57/57/54/1404575754.db2.gz KWEHMSZIUGJZBO-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001691163369 1405099518 /nfs/dbraw/zinc/09/95/18/1405099518.db2.gz UVVNHCQSLNTQPQ-IEBWSBKVSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001691277432 1405188847 /nfs/dbraw/zinc/18/88/47/1405188847.db2.gz ZCRQHALMZIZMMO-LJQANCHMSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C(C)(C)C ZINC001725748445 1426426828 /nfs/dbraw/zinc/42/68/28/1426426828.db2.gz ALIGDZAWUHMTJN-OALUTQOASA-N 2 0 345.531 3.376 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1CC ZINC001691496460 1405302872 /nfs/dbraw/zinc/30/28/72/1405302872.db2.gz ZPOJTNDFDYVBGS-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001691667588 1405401171 /nfs/dbraw/zinc/40/11/71/1405401171.db2.gz VLLZWKKCGUJFOU-PKOBYXMFSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001691793830 1405504038 /nfs/dbraw/zinc/50/40/38/1405504038.db2.gz DGFJBBAEOVSNLV-OALUTQOASA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001691904967 1405627847 /nfs/dbraw/zinc/62/78/47/1405627847.db2.gz LSYUNSOLUUPJBB-AZUAARDMSA-N 2 0 347.547 3.188 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001692076113 1405761539 /nfs/dbraw/zinc/76/15/39/1405761539.db2.gz AIFRSIIHXYROHJ-ZCNNSNEGSA-N 2 0 349.563 3.079 10 30 EGEERP C=CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC(C)(C)C1 ZINC001692276095 1405909815 /nfs/dbraw/zinc/90/98/15/1405909815.db2.gz VIWFFOPVCGBTDD-QGZVFWFLSA-N 2 0 349.563 3.432 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001698582450 1406195015 /nfs/dbraw/zinc/19/50/15/1406195015.db2.gz RFUHFGKTRGLZGT-UXHICEINSA-N 2 0 349.563 3.221 10 30 EGEERP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699181881 1412556741 /nfs/dbraw/zinc/55/67/41/1412556741.db2.gz QGDOZGUTEFBSRZ-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699479172 1412873102 /nfs/dbraw/zinc/87/31/02/1412873102.db2.gz CJGPQMZDFBRTBG-RBUKOAKNSA-N 2 0 349.563 3.339 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001700090897 1413502922 /nfs/dbraw/zinc/50/29/22/1413502922.db2.gz NLHNPQJLQHQERA-XLIONFOSSA-N 2 0 343.515 3.184 10 30 EGEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001700091822 1413505409 /nfs/dbraw/zinc/50/54/09/1413505409.db2.gz PJWVMAGWLBYTOC-PXNSSMCTSA-N 2 0 343.515 3.041 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001700320548 1413784566 /nfs/dbraw/zinc/78/45/66/1413784566.db2.gz OXKUJZIJJWYTHM-XLIONFOSSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001700356301 1413858544 /nfs/dbraw/zinc/85/85/44/1413858544.db2.gz GUVVWHHGDUEYND-VQTJNVASSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001700692582 1414345145 /nfs/dbraw/zinc/34/51/45/1414345145.db2.gz JIXOBKLJZGGMSX-PKOBYXMFSA-N 2 0 335.536 3.137 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001700823913 1414480052 /nfs/dbraw/zinc/48/00/52/1414480052.db2.gz RXEHKLNUOKGFMJ-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001707114438 1417206611 /nfs/dbraw/zinc/20/66/11/1417206611.db2.gz GPVUSPPFASXWPB-AZUAARDMSA-N 2 0 343.515 3.203 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001707273305 1417280118 /nfs/dbraw/zinc/28/01/18/1417280118.db2.gz SGYDAJUXNLLJTM-MOPGFXCFSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001713117252 1417682144 /nfs/dbraw/zinc/68/21/44/1417682144.db2.gz ROWXBPVJSSXAID-UXHICEINSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001713133913 1417711630 /nfs/dbraw/zinc/71/16/30/1417711630.db2.gz CMLLIEITYIQOJO-WOJBJXKFSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713199361 1417770566 /nfs/dbraw/zinc/77/05/66/1417770566.db2.gz ANNRNHDNZMNRKZ-PNYFIKQUSA-N 2 0 347.547 3.375 10 30 EGEERP C=CCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001713252463 1417845939 /nfs/dbraw/zinc/84/59/39/1417845939.db2.gz ZOWOSKUCAXESQS-CEXWTWQISA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001713258015 1417862591 /nfs/dbraw/zinc/86/25/91/1417862591.db2.gz OMSZMBSOICYILV-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001713266978 1417876067 /nfs/dbraw/zinc/87/60/67/1417876067.db2.gz OYGRGUNOXKITLU-RBUKOAKNSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001713266979 1417876307 /nfs/dbraw/zinc/87/63/07/1417876307.db2.gz OYGRGUNOXKITLU-RTBURBONSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001733075033 1429229955 /nfs/dbraw/zinc/22/99/55/1429229955.db2.gz KFYBKPLJGUKFAJ-VQIMIIECSA-N 2 0 340.471 3.097 10 30 EGEERP C=CCCC[NH+]1CC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713531908 1418280218 /nfs/dbraw/zinc/28/02/18/1418280218.db2.gz JRCJSLKZPUNUDQ-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001713561014 1418360372 /nfs/dbraw/zinc/36/03/72/1418360372.db2.gz BFLLLSNLSXNKDJ-HXUWFJFHSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001714130255 1418933674 /nfs/dbraw/zinc/93/36/74/1418933674.db2.gz RDTZBKSFZNVMIL-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001714609123 1419368880 /nfs/dbraw/zinc/36/88/80/1419368880.db2.gz AIIFTMAPUAKLMB-LJQANCHMSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001714912514 1419660415 /nfs/dbraw/zinc/66/04/15/1419660415.db2.gz FVSRNBCBPSBSBY-FQEVSTJZSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001715207561 1419942162 /nfs/dbraw/zinc/94/21/62/1419942162.db2.gz YYFKXWASZKGNOT-NQIIRXRSSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCCC1 ZINC001715398113 1420096187 /nfs/dbraw/zinc/09/61/87/1420096187.db2.gz BGJRGHIUUUXFSR-IBGZPJMESA-N 2 0 347.547 3.093 10 30 EGEERP C=CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CCCCCC1 ZINC001716713870 1420867760 /nfs/dbraw/zinc/86/77/60/1420867760.db2.gz PRCWXKIIGRRCPK-HXUWFJFHSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001717112749 1421116242 /nfs/dbraw/zinc/11/62/42/1421116242.db2.gz NHZFLJOEZYLNEM-FQEVSTJZSA-N 2 0 343.515 3.184 10 30 EGEERP C=CCC[NH2+]C1(CC)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001717238202 1421206468 /nfs/dbraw/zinc/20/64/68/1421206468.db2.gz MWCCVQIFOMNTFJ-UHFFFAOYSA-N 2 0 340.471 3.193 10 30 EGEERP C=CCCCCC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001717347781 1421286561 /nfs/dbraw/zinc/28/65/61/1421286561.db2.gz IHKGWVAXVFTEOR-UHFFFAOYSA-N 2 0 349.563 3.389 10 30 EGEERP CCCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001717365982 1421300910 /nfs/dbraw/zinc/30/09/10/1421300910.db2.gz SWTCRTJFLLGRJP-CEXWTWQISA-N 2 0 337.552 3.220 10 30 EGEERP C=C(C)CC[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001717523736 1421459404 /nfs/dbraw/zinc/45/94/04/1421459404.db2.gz CSGKBQQJVQVSGD-GOSISDBHSA-N 2 0 335.536 3.236 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001717702543 1421575786 /nfs/dbraw/zinc/57/57/86/1421575786.db2.gz ZPFHXMOSWYPWAL-MSOLQXFVSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001717985564 1421757886 /nfs/dbraw/zinc/75/78/86/1421757886.db2.gz OESQDTYAVATBSM-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001723937808 1424608547 /nfs/dbraw/zinc/60/85/47/1424608547.db2.gz OOJDVXXLVNASCK-PMACEKPBSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001724601161 1424931841 /nfs/dbraw/zinc/93/18/41/1424931841.db2.gz FWXQZQBCRIVHLB-YSTOQKLRSA-N 2 0 347.547 3.186 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001724652448 1425013376 /nfs/dbraw/zinc/01/33/76/1425013376.db2.gz FPYDAUDSYSAKJR-OALUTQOASA-N 2 0 349.563 3.364 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001724707274 1425063852 /nfs/dbraw/zinc/06/38/52/1425063852.db2.gz JMMMRLLVBWHOCO-RTBURBONSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001724761354 1425132763 /nfs/dbraw/zinc/13/27/63/1425132763.db2.gz VRAZSKVCFFOXNC-RBUKOAKNSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001724843824 1425193240 /nfs/dbraw/zinc/19/32/40/1425193240.db2.gz LUFBGNVEOGBPBB-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001724892913 1425282127 /nfs/dbraw/zinc/28/21/27/1425282127.db2.gz QFESXUFDOIAJER-IBGZPJMESA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001724974127 1425376496 /nfs/dbraw/zinc/37/64/96/1425376496.db2.gz MXSDUTKXWQEULZ-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH2+]C1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001725136367 1425610900 /nfs/dbraw/zinc/61/09/00/1425610900.db2.gz ICYWRQGMMAOAPR-KKXNLOMOSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001725290674 1425934347 /nfs/dbraw/zinc/93/43/47/1425934347.db2.gz CZMLEORHUSIXAQ-GOSISDBHSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001725677887 1426363920 /nfs/dbraw/zinc/36/39/20/1426363920.db2.gz XOUZWIRVNXXJAI-IAGOWNOFSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001725830520 1426508813 /nfs/dbraw/zinc/50/88/13/1426508813.db2.gz SAOLJXKGYICHII-ICSRJNTNSA-N 2 0 347.547 3.210 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001731716844 1427781258 /nfs/dbraw/zinc/78/12/58/1427781258.db2.gz ZVDJNPZQHRFRCT-MOPGFXCFSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001731761649 1427866120 /nfs/dbraw/zinc/86/61/20/1427866120.db2.gz WDPSCCOIFJMIDV-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001733682846 1429896839 /nfs/dbraw/zinc/89/68/39/1429896839.db2.gz AHWDZTCIMBSIQP-QZTJIDSGSA-N 2 0 343.515 3.261 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001733782349 1430048648 /nfs/dbraw/zinc/04/86/48/1430048648.db2.gz GOLIYAXGMMXEKA-PMACEKPBSA-N 2 0 349.563 3.245 10 30 EGEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001734018894 1437808385 /nfs/dbraw/zinc/80/83/85/1437808385.db2.gz COQCUKGPPFRCJU-UHFFFAOYSA-N 2 0 337.552 3.290 10 30 EGEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001734299882 1438031387 /nfs/dbraw/zinc/03/13/87/1438031387.db2.gz FEYWWONCSACADC-UYAOXDASSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001734456653 1438113885 /nfs/dbraw/zinc/11/38/85/1438113885.db2.gz HKDBOZSVLUAOAZ-AZUAARDMSA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001734626695 1438191504 /nfs/dbraw/zinc/19/15/04/1438191504.db2.gz VJNOXRSKVFECPT-HXUWFJFHSA-N 2 0 347.547 3.047 10 30 EGEERP N#CC1(C[C@H](O)C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000600722692 460579470 /nfs/dbraw/zinc/57/94/70/460579470.db2.gz SQAZLVXEKHDNST-FQEVSTJZSA-N 2 0 341.499 3.207 10 30 EGEERP COCC[N@H+](C)CCCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192140412 455563446 /nfs/dbraw/zinc/56/34/46/455563446.db2.gz UICDZQMUZLQZIG-UHFFFAOYSA-N 2 0 328.500 3.109 10 30 EGEERP C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415033842 458327488 /nfs/dbraw/zinc/32/74/88/458327488.db2.gz CCKIIGYWWNAHJC-ROUUACIJSA-N 2 0 330.472 3.224 10 30 EGEERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)CC#N)CC1 ZINC000459739932 458465056 /nfs/dbraw/zinc/46/50/56/458465056.db2.gz ZSNSDYUKGWHOIV-UHFFFAOYSA-N 2 0 328.504 3.248 10 30 EGEERP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cc2OC(F)F)[C@H](C)C1 ZINC000437903196 458509977 /nfs/dbraw/zinc/50/99/77/458509977.db2.gz JILRLGNRDBZEKZ-CZUORRHYSA-N 2 0 337.414 3.322 10 30 EGEERP CC(C)(C#N)c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000614160905 460033133 /nfs/dbraw/zinc/03/31/33/460033133.db2.gz TVFFCICFUAFNDE-UHFFFAOYSA-N 2 0 341.499 3.032 10 30 EGEERP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658142000 462405160 /nfs/dbraw/zinc/40/51/60/462405160.db2.gz YDSOOHPQZGCEGM-HKBOAZHASA-N 2 0 328.500 3.478 10 30 EGEERP C=C(C)C[NH+]1CCC(NC(N[C@@H]2C[C@@H]2C2CCCCC2)=[NH+]C)CC1 ZINC000262391505 1296628686 /nfs/dbraw/zinc/62/86/86/1296628686.db2.gz MEZCIFRPNBVEOC-RTBURBONSA-N 2 0 332.536 3.161 10 30 EGEERP C=CCc1cc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc(OC)c1O ZINC000873223448 1297365042 /nfs/dbraw/zinc/36/50/42/1297365042.db2.gz NPAXSWFUFVQYKS-HXUWFJFHSA-N 2 0 332.488 3.326 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000876737710 1298950184 /nfs/dbraw/zinc/95/01/84/1298950184.db2.gz WEBHHCUDYIVTQU-JQHSSLGASA-N 2 0 349.906 3.140 10 30 EGEERP C#C[C@H]([NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)C1CCOCC1 ZINC000877638293 1299446427 /nfs/dbraw/zinc/44/64/27/1299446427.db2.gz VWSSNZKJUDFZGI-BVSLBCMMSA-N 2 0 338.495 3.373 10 30 EGEERP C#CC[C@@H]1CC[NH+](C[C@@H](C[N@H+]2CC[C@H](CC#C)C2)c2ccccc2)C1 ZINC000886365272 1303449350 /nfs/dbraw/zinc/44/93/50/1303449350.db2.gz DXOAOCJIHVGUGE-SGRGSNTQSA-N 2 0 334.507 3.461 10 30 EGEERP Cc1cc(C#N)cc(C)c1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000921759989 1322394068 /nfs/dbraw/zinc/39/40/68/1322394068.db2.gz NOGIJPYSRIOSTI-ROUUACIJSA-N 2 0 329.488 3.154 10 30 EGEERP COCC[N@@H+](Cc1cc(Cl)cc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000931379942 1329107865 /nfs/dbraw/zinc/10/78/65/1329107865.db2.gz FKSLZBJAFVNPSA-UHFFFAOYSA-N 2 0 335.879 3.002 10 30 EGEERP CC1(C)C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[C@@H]([NH3+])C1 ZINC000925643660 1325245280 /nfs/dbraw/zinc/24/52/80/1325245280.db2.gz GVGFIVHMVLDTBY-ZLZJIPBDSA-N 2 0 342.487 3.139 10 30 EGEERP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941075950 1331321698 /nfs/dbraw/zinc/32/16/98/1331321698.db2.gz RKCDHQRTAVWQTR-ROUUACIJSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001324321793 1387591288 /nfs/dbraw/zinc/59/12/88/1387591288.db2.gz GRSULZKMXHHMIV-UHFFFAOYSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001324891854 1387807823 /nfs/dbraw/zinc/80/78/23/1387807823.db2.gz FBJPZGTUZKBTEW-IRXDYDNUSA-N 2 0 346.519 3.161 10 30 EGEERP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001325920429 1388084259 /nfs/dbraw/zinc/08/42/59/1388084259.db2.gz KQTCLUDZTMIZLI-ZCNNSNEGSA-N 2 0 347.547 3.281 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001326287067 1388142912 /nfs/dbraw/zinc/14/29/12/1388142912.db2.gz LGFAHSXWJQIVNY-UYAOXDASSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001265436578 1377152290 /nfs/dbraw/zinc/15/22/90/1377152290.db2.gz KMDBPRPGZQFCQQ-IRXDYDNUSA-N 2 0 335.536 3.185 10 30 EGEERP C=CCC[C@H](C)[NH2+]C1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001265736322 1377164452 /nfs/dbraw/zinc/16/44/52/1377164452.db2.gz PQBKPLZDNYJREU-VIQWUECVSA-N 2 0 347.547 3.234 10 30 EGEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001269871169 1377587250 /nfs/dbraw/zinc/58/72/50/1377587250.db2.gz QDKWPWCWSMNTFF-FQEVSTJZSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001279045594 1378296763 /nfs/dbraw/zinc/29/67/63/1378296763.db2.gz LJFPPOCGNAMMPT-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001281683197 1378448688 /nfs/dbraw/zinc/44/86/88/1378448688.db2.gz NDFDGPBRMWUDPJ-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001327542590 1388556761 /nfs/dbraw/zinc/55/67/61/1388556761.db2.gz XKKZONQWMFLYJS-FPOVZHCZSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001282973739 1378693085 /nfs/dbraw/zinc/69/30/85/1378693085.db2.gz WHIHEEYVZKWHHR-RBUKOAKNSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCCCC[N@@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001283311507 1378797890 /nfs/dbraw/zinc/79/78/90/1378797890.db2.gz XRTURJQMRDBDJX-UHFFFAOYSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001327695942 1388584928 /nfs/dbraw/zinc/58/49/28/1388584928.db2.gz MAODISVRFXAVCN-JXFKEZNVSA-N 2 0 343.515 3.313 10 30 EGEERP C=CCC[N@@H+]1Cc2ccc(CNC(=O)CC[NH+]3CCCCC3)cc2C1 ZINC001327695919 1388585413 /nfs/dbraw/zinc/58/54/13/1388585413.db2.gz LELOWESOCWWEEY-UHFFFAOYSA-N 2 0 341.499 3.071 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001284619201 1380018562 /nfs/dbraw/zinc/01/85/62/1380018562.db2.gz QKXKQVOWIQHIDO-OALUTQOASA-N 2 0 349.563 3.480 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001328387544 1388734500 /nfs/dbraw/zinc/73/45/00/1388734500.db2.gz COTKIALUYPUETA-PKOBYXMFSA-N 2 0 335.536 3.234 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001316771989 1384570810 /nfs/dbraw/zinc/57/08/10/1384570810.db2.gz VMOLVIHIAUZUPC-IBGZPJMESA-N 2 0 335.536 3.189 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317041986 1384815254 /nfs/dbraw/zinc/81/52/54/1384815254.db2.gz XJYXEFNFYXOMED-LJQANCHMSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001317445882 1385146231 /nfs/dbraw/zinc/14/62/31/1385146231.db2.gz MKZSNKIYUCIGBR-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001317687200 1385398795 /nfs/dbraw/zinc/39/87/95/1385398795.db2.gz QSCSOMULMAUDGK-HKUYNNGSSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[NH2+]CCC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001318916762 1385881814 /nfs/dbraw/zinc/88/18/14/1385881814.db2.gz FEQTZUMPCOQSQS-UHFFFAOYSA-N 2 0 343.515 3.156 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001318959596 1385897674 /nfs/dbraw/zinc/89/76/74/1385897674.db2.gz UBYRTDQIYOTUFS-CADBVGFASA-N 2 0 335.536 3.233 10 30 EGEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001319001190 1385919007 /nfs/dbraw/zinc/91/90/07/1385919007.db2.gz ZJNMMBSGBWVLMV-GOSISDBHSA-N 2 0 343.515 3.233 10 30 EGEERP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001319141514 1385975488 /nfs/dbraw/zinc/97/54/88/1385975488.db2.gz DMBDXIVYKLRNNR-LJQANCHMSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001319693112 1386254684 /nfs/dbraw/zinc/25/46/84/1386254684.db2.gz XTCQKEMNVSNDCO-KXBFYZLASA-N 2 0 340.471 3.049 10 30 EGEERP CCCCCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001319864227 1386343182 /nfs/dbraw/zinc/34/31/82/1386343182.db2.gz NCKJOZDVYRCMAR-RTBURBONSA-N 2 0 349.563 3.269 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001698696421 1406339845 /nfs/dbraw/zinc/33/98/45/1406339845.db2.gz HCORPQVTLTWBNI-HXUWFJFHSA-N 2 0 349.563 3.291 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001330244580 1389362730 /nfs/dbraw/zinc/36/27/30/1389362730.db2.gz NBHDLJMDSRHMKK-QZTJIDSGSA-N 2 0 337.552 3.125 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001332387739 1390103097 /nfs/dbraw/zinc/10/30/97/1390103097.db2.gz MBSSZYYHKDRPCA-QZTJIDSGSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CC[NH+](CC)CC)c1ccccc1 ZINC001343748794 1390734773 /nfs/dbraw/zinc/73/47/73/1390734773.db2.gz QKHQBDXAGFFPTD-IAGOWNOFSA-N 2 0 337.895 3.046 10 30 EGEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001479747628 1392364295 /nfs/dbraw/zinc/36/42/95/1392364295.db2.gz CMAAPUXVIWDBBO-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001480319822 1392680405 /nfs/dbraw/zinc/68/04/05/1392680405.db2.gz RDKBLMAKEUWTMU-WOJBJXKFSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001480404989 1392742718 /nfs/dbraw/zinc/74/27/18/1392742718.db2.gz KSEFKWRWTVZDKU-CTWPCTMYSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001482409583 1394974630 /nfs/dbraw/zinc/97/46/30/1394974630.db2.gz OLMGPJIEWZYRON-IHPCNDPISA-N 2 0 349.563 3.338 10 30 EGEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CCCCC1 ZINC001482410865 1394975275 /nfs/dbraw/zinc/97/52/75/1394975275.db2.gz QOJUBRIFUVWDNL-MOPGFXCFSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001482423059 1394984655 /nfs/dbraw/zinc/98/46/55/1394984655.db2.gz IHWFTMFFMYWGPC-MJGOQNOKSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001482439820 1395000244 /nfs/dbraw/zinc/00/02/44/1395000244.db2.gz VZTIODIKGPRQRY-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001482452575 1395011241 /nfs/dbraw/zinc/01/12/41/1395011241.db2.gz FIYIYCXOBHZHMA-LJQANCHMSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001484981267 1395622046 /nfs/dbraw/zinc/62/20/46/1395622046.db2.gz NDSUJOUHMRGNAO-VQTJNVASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001485573609 1396040701 /nfs/dbraw/zinc/04/07/01/1396040701.db2.gz CYAFANBUHZUKQO-DLBZAZTESA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001699008406 1406834555 /nfs/dbraw/zinc/83/45/55/1406834555.db2.gz IVNXSDPAHPLLNL-MOPGFXCFSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001689264615 1396995827 /nfs/dbraw/zinc/99/58/27/1396995827.db2.gz CVLQGMHNAFVOEY-IBGZPJMESA-N 2 0 347.547 3.189 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001689265179 1396997107 /nfs/dbraw/zinc/99/71/07/1396997107.db2.gz PKJQTYFVWPCUHU-PMACEKPBSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001690473486 1404596842 /nfs/dbraw/zinc/59/68/42/1404596842.db2.gz WROFRYNXGLVDPR-SFHVURJKSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001690475940 1404598356 /nfs/dbraw/zinc/59/83/56/1404598356.db2.gz JMTVOLSVNYHRIY-ROUUACIJSA-N 2 0 335.536 3.186 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001725641143 1426319915 /nfs/dbraw/zinc/31/99/15/1426319915.db2.gz XWFKWZNGSPCEMD-QZTJIDSGSA-N 2 0 337.552 3.410 10 30 EGEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)(C)C ZINC001725748821 1426426997 /nfs/dbraw/zinc/42/69/97/1426426997.db2.gz DBUBCBOIDVSPRR-QZTJIDSGSA-N 2 0 337.552 3.336 10 30 EGEERP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001691690911 1405425817 /nfs/dbraw/zinc/42/58/17/1405425817.db2.gz WVOKVQCVVKGIFB-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001691823692 1405540393 /nfs/dbraw/zinc/54/03/93/1405540393.db2.gz VKDDVFIPXUOOQE-SFHVURJKSA-N 2 0 337.552 3.291 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001692014443 1405734967 /nfs/dbraw/zinc/73/49/67/1405734967.db2.gz WGQVTQTVEIZGNM-WOJBJXKFSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001692124764 1405786112 /nfs/dbraw/zinc/78/61/12/1405786112.db2.gz PPLFDGAZKZGUOM-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001692131756 1405788607 /nfs/dbraw/zinc/78/86/07/1405788607.db2.gz IZCQARVAGQOSCQ-LJQANCHMSA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001692339818 1405958954 /nfs/dbraw/zinc/95/89/54/1405958954.db2.gz AJBKVIKMSKEUKN-OALUTQOASA-N 2 0 335.536 3.022 10 30 EGEERP C=C(C)C[NH2+]CCC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001732303754 1428520715 /nfs/dbraw/zinc/52/07/15/1428520715.db2.gz XOKKVBVVBVLPFQ-UHFFFAOYSA-N 2 0 343.515 3.156 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001732528174 1428648634 /nfs/dbraw/zinc/64/86/34/1428648634.db2.gz NWBQOQWSFMNMOL-CVEARBPZSA-N 2 0 349.544 3.216 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001699605360 1412968630 /nfs/dbraw/zinc/96/86/30/1412968630.db2.gz NRICAYRVTPRSPG-AZUAARDMSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1CC ZINC001699605363 1412969276 /nfs/dbraw/zinc/96/92/76/1412969276.db2.gz NRICAYRVTPRSPG-UYAOXDASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1CC ZINC001699605573 1412969345 /nfs/dbraw/zinc/96/93/45/1412969345.db2.gz KGWIICYELDZPGY-NVXWUHKLSA-N 2 0 349.544 3.216 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2C1 ZINC001700253123 1413701777 /nfs/dbraw/zinc/70/17/77/1413701777.db2.gz ZDYQOFUBIPRKSI-KRWDZBQOSA-N 2 0 341.499 3.069 10 30 EGEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001700340998 1413821437 /nfs/dbraw/zinc/82/14/37/1413821437.db2.gz GPTJMGOJBXBQQZ-LJQANCHMSA-N 2 0 337.552 3.099 10 30 EGEERP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001700446497 1414023467 /nfs/dbraw/zinc/02/34/67/1414023467.db2.gz OMBCJKRGTSAFDF-GOSISDBHSA-N 2 0 337.552 3.291 10 30 EGEERP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001700573285 1414244495 /nfs/dbraw/zinc/24/44/95/1414244495.db2.gz UGVMBJHCWOCLPC-LJQANCHMSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001700620849 1414289804 /nfs/dbraw/zinc/28/98/04/1414289804.db2.gz AJIDUGWNLGMSAM-LJQANCHMSA-N 2 0 347.547 3.142 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC001700865261 1414516395 /nfs/dbraw/zinc/51/63/95/1414516395.db2.gz JRCUSIMCSKGBMH-WERVVEIQSA-N 2 0 349.563 3.410 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001700865263 1414516887 /nfs/dbraw/zinc/51/68/87/1414516887.db2.gz JRCUSIMCSKGBMH-XCJLJZCSSA-N 2 0 349.563 3.410 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713134287 1417712409 /nfs/dbraw/zinc/71/24/09/1417712409.db2.gz KXVLCWIHLMJANE-UXHICEINSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001713399923 1418020964 /nfs/dbraw/zinc/02/09/64/1418020964.db2.gz WGUSLXWXIVUEMV-CTNGQTDRSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001713411369 1418034563 /nfs/dbraw/zinc/03/45/63/1418034563.db2.gz CMFOHDHIRYMXSD-HUUCEWRRSA-N 2 0 328.460 3.095 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713432170 1418060581 /nfs/dbraw/zinc/06/05/81/1418060581.db2.gz XDVCOLUEBLHREJ-SFHVURJKSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001713689322 1418443049 /nfs/dbraw/zinc/44/30/49/1418443049.db2.gz BSALXOUOGRFNAW-MOPGFXCFSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001713718550 1418486925 /nfs/dbraw/zinc/48/69/25/1418486925.db2.gz JHJYDASNAJBIAC-PMACEKPBSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713952659 1418736190 /nfs/dbraw/zinc/73/61/90/1418736190.db2.gz LWMWTBHFHSLDSU-ULQDDVLXSA-N 2 0 335.536 3.231 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001714001007 1418780972 /nfs/dbraw/zinc/78/09/72/1418780972.db2.gz NYTTZZSJUBCITJ-CEXWTWQISA-N 2 0 337.552 3.220 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001714142115 1418944336 /nfs/dbraw/zinc/94/43/36/1418944336.db2.gz MOUDDKVKGWJXTG-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001714813822 1419524933 /nfs/dbraw/zinc/52/49/33/1419524933.db2.gz IENRWAOZVRJWJP-XLIONFOSSA-N 2 0 343.515 3.082 10 30 EGEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001714817261 1419527514 /nfs/dbraw/zinc/52/75/14/1419527514.db2.gz HNPUWOARKWRFAR-GOSISDBHSA-N 2 0 349.563 3.434 10 30 EGEERP C=CC[NH2+][C@H](CNC(=O)c1sccc1C[NH+](C)C)c1ccccc1 ZINC001714849251 1419560940 /nfs/dbraw/zinc/56/09/40/1419560940.db2.gz UXLKCQSXMFTUJD-QGZVFWFLSA-N 2 0 343.496 3.056 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001714979355 1419713787 /nfs/dbraw/zinc/71/37/87/1419713787.db2.gz RNWGAFYCXUOLMY-OALUTQOASA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001715184839 1419917776 /nfs/dbraw/zinc/91/77/76/1419917776.db2.gz YAVDYQQFMKYWJR-QAQDUYKDSA-N 2 0 335.536 3.233 10 30 EGEERP C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001715485710 1420166340 /nfs/dbraw/zinc/16/63/40/1420166340.db2.gz YHIUYHIUKNUHCJ-AZUAARDMSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001715498761 1420180328 /nfs/dbraw/zinc/18/03/28/1420180328.db2.gz OOXYJHXSQVFSCR-HXUWFJFHSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001716063630 1420523046 /nfs/dbraw/zinc/52/30/46/1420523046.db2.gz PLKYRUWGTWEQHJ-SJLPKXTDSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001733272900 1429435457 /nfs/dbraw/zinc/43/54/57/1429435457.db2.gz VUZWDPHFHNUSFB-NXEWRWPSSA-N 2 0 347.547 3.327 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)C1 ZINC001716704646 1420859145 /nfs/dbraw/zinc/85/91/45/1420859145.db2.gz YNTOSFYSISNXEP-PMACEKPBSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001716877150 1421002561 /nfs/dbraw/zinc/00/25/61/1421002561.db2.gz XEJZXGBRAVAQKU-ICSRJNTNSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001716895883 1421023266 /nfs/dbraw/zinc/02/32/66/1421023266.db2.gz NKCYIFYXGOVMJH-AZUAARDMSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001716966208 1421055162 /nfs/dbraw/zinc/05/51/62/1421055162.db2.gz NXMBTELJOGBRIK-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001717004847 1421073647 /nfs/dbraw/zinc/07/36/47/1421073647.db2.gz CUWQMSGUSWVKAO-UHFFFAOYSA-N 2 0 343.515 3.055 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001717246504 1421217202 /nfs/dbraw/zinc/21/72/02/1421217202.db2.gz NMJILLPFJWIIGU-WIYYLYMNSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001717269298 1421224965 /nfs/dbraw/zinc/22/49/65/1421224965.db2.gz INJWNPLJRRCEEQ-UZLBHIALSA-N 2 0 341.499 3.067 10 30 EGEERP C=CCCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001717583053 1421509395 /nfs/dbraw/zinc/50/93/95/1421509395.db2.gz VNRZOKCRPFPASZ-SFHVURJKSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001717589102 1421518290 /nfs/dbraw/zinc/51/82/90/1421518290.db2.gz LXSBNEXXHSVVCT-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001717669036 1421558764 /nfs/dbraw/zinc/55/87/64/1421558764.db2.gz NQAMLTRBDHYSHU-QZTJIDSGSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001717669035 1421558891 /nfs/dbraw/zinc/55/88/91/1421558891.db2.gz NQAMLTRBDHYSHU-MSOLQXFVSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001717800164 1421629176 /nfs/dbraw/zinc/62/91/76/1421629176.db2.gz DATOLAMAZRBLHW-AZUAARDMSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001723625406 1424496811 /nfs/dbraw/zinc/49/68/11/1424496811.db2.gz VDKJXFLZKWMMMN-RAFMOHDBSA-N 2 0 347.547 3.185 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001723718487 1424544646 /nfs/dbraw/zinc/54/46/46/1424544646.db2.gz KQSLYFIQLVTFNU-HXUWFJFHSA-N 2 0 349.563 3.366 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001723859385 1424588641 /nfs/dbraw/zinc/58/86/41/1424588641.db2.gz GJSCNFYDJMTCPW-WOJBJXKFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001724126992 1424678062 /nfs/dbraw/zinc/67/80/62/1424678062.db2.gz ZXEMKAQTGGFUQV-FPOVZHCZSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001724294356 1424779276 /nfs/dbraw/zinc/77/92/76/1424779276.db2.gz MBYQUHUFNJXZOW-IBGZPJMESA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001724712270 1425067103 /nfs/dbraw/zinc/06/71/03/1425067103.db2.gz VAMDMQABIGVACV-KRWDZBQOSA-N 2 0 340.471 3.051 10 30 EGEERP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001724900542 1425295478 /nfs/dbraw/zinc/29/54/78/1425295478.db2.gz TZKBOVDSAICMHS-NRFANRHFSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001725228020 1425797077 /nfs/dbraw/zinc/79/70/77/1425797077.db2.gz DVRABFCGLSMRHL-QZTJIDSGSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001731387640 1427335412 /nfs/dbraw/zinc/33/54/12/1427335412.db2.gz SFBAUVYEWRCEDA-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001731517594 1427505714 /nfs/dbraw/zinc/50/57/14/1427505714.db2.gz DBEZMSKUSBHRJA-QUCCMNQESA-N 2 0 347.547 3.188 10 30 EGEERP C=CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001731560488 1427595725 /nfs/dbraw/zinc/59/57/25/1427595725.db2.gz UZJZBKWKCNCUCF-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001731835569 1428051314 /nfs/dbraw/zinc/05/13/14/1428051314.db2.gz SDYBBVVXKXNJDZ-FXAWDEMLSA-N 2 0 343.515 3.297 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001733659984 1429852511 /nfs/dbraw/zinc/85/25/11/1429852511.db2.gz SYIVXNDSPSHZLN-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001733877987 1437705619 /nfs/dbraw/zinc/70/56/19/1437705619.db2.gz GJHFBOYUDBJWJO-OALUTQOASA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001734304570 1438035561 /nfs/dbraw/zinc/03/55/61/1438035561.db2.gz KXDLCYKOQSUBHN-WOJBJXKFSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC001734494068 1438131619 /nfs/dbraw/zinc/13/16/19/1438131619.db2.gz NWXYJZNZYMINHJ-RBUKOAKNSA-N 2 0 349.563 3.432 10 30 EGEERP CCc1nc2ccccc2n1C1CC[NH+](CCOCCC#N)CC1 ZINC000293716127 455795741 /nfs/dbraw/zinc/79/57/41/455795741.db2.gz FGRGRHSQAJIGOU-UHFFFAOYSA-N 2 0 326.444 3.166 10 30 EGEERP N#Cc1csc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000352857674 456368595 /nfs/dbraw/zinc/36/85/95/456368595.db2.gz ZCLGTYRQWSYIBI-UHFFFAOYSA-N 2 0 326.469 3.017 10 30 EGEERP C=CCOc1ccc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000352951493 456422662 /nfs/dbraw/zinc/42/26/62/456422662.db2.gz ONKDLUHWDTVUHJ-UHFFFAOYSA-N 2 0 334.423 3.430 10 30 EGEERP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528403096 459805618 /nfs/dbraw/zinc/80/56/18/459805618.db2.gz IGEKVPPPDWXWGD-PKOBYXMFSA-N 2 0 333.520 3.018 10 30 EGEERP Cc1cc(C#N)ccc1CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000705663061 1298214352 /nfs/dbraw/zinc/21/43/52/1298214352.db2.gz RETPTTKSYSLHLP-VXKWHMMOSA-N 2 0 331.463 3.431 10 30 EGEERP C[C@@]1(C#N)CC[NH+](CC[Si](C)(C)CC[N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000859358504 1328974953 /nfs/dbraw/zinc/97/49/53/1328974953.db2.gz GVNILAQFBNTWMY-ROUUACIJSA-N 2 0 332.568 3.166 10 30 EGEERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000925643654 1325244670 /nfs/dbraw/zinc/24/46/70/1325244670.db2.gz GVGFIVHMVLDTBY-NALMEZQBSA-N 2 0 342.487 3.139 10 30 EGEERP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940786342 1331193445 /nfs/dbraw/zinc/19/34/45/1331193445.db2.gz VDCUQNJARBPENY-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001324775051 1387768328 /nfs/dbraw/zinc/76/83/28/1387768328.db2.gz GXKJOVXNZNRXPU-FPOVZHCZSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001324945309 1387842645 /nfs/dbraw/zinc/84/26/45/1387842645.db2.gz YFLIAMCSLBMJNB-OAQYLSRUSA-N 2 0 349.563 3.434 10 30 EGEERP CCOCCC[N@@H+]1CC[C@H](NCc2cc(Cl)cc(C#N)c2)[C@H](C)C1 ZINC001119742322 1371397523 /nfs/dbraw/zinc/39/75/23/1371397523.db2.gz ILOIVLRZTBRDLM-BEFAXECRSA-N 2 0 349.906 3.438 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC001326468121 1388203704 /nfs/dbraw/zinc/20/37/04/1388203704.db2.gz KCPMVEVDMACXTE-FFZOFVMBSA-N 2 0 343.515 3.260 10 30 EGEERP C=C(C)C[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001327299952 1388491719 /nfs/dbraw/zinc/49/17/19/1388491719.db2.gz RMBMRNPFYKZDLZ-PMACEKPBSA-N 2 0 349.563 3.245 10 30 EGEERP C=C(C)C[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001327299954 1388492125 /nfs/dbraw/zinc/49/21/25/1388492125.db2.gz RMBMRNPFYKZDLZ-VQTJNVASSA-N 2 0 349.563 3.245 10 30 EGEERP C=CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001266659315 1377362032 /nfs/dbraw/zinc/36/20/32/1377362032.db2.gz NPVZILRNEQVLLJ-AZUAARDMSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001266877227 1377398698 /nfs/dbraw/zinc/39/86/98/1377398698.db2.gz JBTUPNMNTSKDDF-RBUKOAKNSA-N 2 0 335.536 3.186 10 30 EGEERP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267047180 1377408253 /nfs/dbraw/zinc/40/82/53/1377408253.db2.gz IGFMGLGEQYNSRS-SFHVURJKSA-N 2 0 335.536 3.023 10 30 EGEERP C=CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(C(C)C)cc1 ZINC001267516160 1377450451 /nfs/dbraw/zinc/45/04/51/1377450451.db2.gz AFWACPSDISWDOB-XLIONFOSSA-N 2 0 343.515 3.085 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001279574754 1378312078 /nfs/dbraw/zinc/31/20/78/1378312078.db2.gz BCLBTLVSFMKHER-AQNXPRMDSA-N 2 0 347.547 3.282 10 30 EGEERP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001327529437 1388550667 /nfs/dbraw/zinc/55/06/67/1388550667.db2.gz HYBATIOHVHSHJH-OAQYLSRUSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001283629144 1379064467 /nfs/dbraw/zinc/06/44/67/1379064467.db2.gz FZIJVKLCUPTQNL-CABCVRRESA-N 2 0 328.460 3.048 10 30 EGEERP C=C(C)CC[N@@H+](C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C(C)C ZINC001284536325 1379943177 /nfs/dbraw/zinc/94/31/77/1379943177.db2.gz HYMOWQKKHHBSHN-RBUKOAKNSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001328586451 1388781924 /nfs/dbraw/zinc/78/19/24/1388781924.db2.gz CECZSODXOSPCAY-GOSISDBHSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001316811707 1384609380 /nfs/dbraw/zinc/60/93/80/1384609380.db2.gz OIXZYFRYJAVCHS-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001317191421 1384966045 /nfs/dbraw/zinc/96/60/45/1384966045.db2.gz GEIONQUOHLAJKI-IBGZPJMESA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001317688327 1385400147 /nfs/dbraw/zinc/40/01/47/1385400147.db2.gz WOFNCYZMVOBJLF-HKUYNNGSSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001317876606 1385555767 /nfs/dbraw/zinc/55/57/67/1385555767.db2.gz KMALHUASSOPUMO-WOJBJXKFSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001318908641 1385879233 /nfs/dbraw/zinc/87/92/33/1385879233.db2.gz TUIGKPJFIHQUDP-SFHVURJKSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001318966623 1385901545 /nfs/dbraw/zinc/90/15/45/1385901545.db2.gz VQFDKFVNPNSHDW-UAFMIMERSA-N 2 0 349.563 3.480 10 30 EGEERP C=CCC[C@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001318991124 1385914216 /nfs/dbraw/zinc/91/42/16/1385914216.db2.gz PRWGXRFXZICPOM-SQGPQFPESA-N 2 0 343.515 3.087 10 30 EGEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001319818759 1386314772 /nfs/dbraw/zinc/31/47/72/1386314772.db2.gz QQTQWSQARVAWLE-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001319819181 1386314976 /nfs/dbraw/zinc/31/49/76/1386314976.db2.gz SBMARZDJUDFEGQ-OALUTQOASA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001319819180 1386314995 /nfs/dbraw/zinc/31/49/95/1386314995.db2.gz SBMARZDJUDFEGQ-MOPGFXCFSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001319820674 1386316822 /nfs/dbraw/zinc/31/68/22/1386316822.db2.gz YCLCGXZDKQMLPV-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH2+]C1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001329231197 1389029142 /nfs/dbraw/zinc/02/91/42/1389029142.db2.gz PYQIHJIWARPHJJ-AOCRQIFASA-N 2 0 335.536 3.185 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001332149325 1390008134 /nfs/dbraw/zinc/00/81/34/1390008134.db2.gz UFXIMSIQPDXKGW-SLFFLAALSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001479737839 1392349420 /nfs/dbraw/zinc/34/94/20/1392349420.db2.gz OFDORUONAFWJMH-SFHVURJKSA-N 2 0 337.552 3.243 10 30 EGEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480077762 1392567542 /nfs/dbraw/zinc/56/75/42/1392567542.db2.gz PKSDINFNOQGNPS-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480087579 1392577082 /nfs/dbraw/zinc/57/70/82/1392577082.db2.gz OJFJPISAGGISEV-UXHICEINSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480272711 1392655958 /nfs/dbraw/zinc/65/59/58/1392655958.db2.gz YJUGDICZZDRDRS-WOJBJXKFSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001698871610 1406591149 /nfs/dbraw/zinc/59/11/49/1406591149.db2.gz OZPMRYDCOQNMET-AZUAARDMSA-N 2 0 349.563 3.480 10 30 EGEERP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480829239 1392968357 /nfs/dbraw/zinc/96/83/57/1392968357.db2.gz GWNXCZHUXJSCNW-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001490611337 1394281948 /nfs/dbraw/zinc/28/19/48/1394281948.db2.gz RSNUOPHRLUTJKX-OALUTQOASA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001482068742 1394730334 /nfs/dbraw/zinc/73/03/34/1394730334.db2.gz YORDSNUUUGUZOB-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH2+]C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CCCCC1 ZINC001482406391 1394969569 /nfs/dbraw/zinc/96/95/69/1394969569.db2.gz PTENSBOSSYTVJJ-IBGZPJMESA-N 2 0 349.563 3.480 10 30 EGEERP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001482481376 1395035303 /nfs/dbraw/zinc/03/53/03/1395035303.db2.gz ZIPLDMUHGACNJD-AZUAARDMSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001484118788 1395261710 /nfs/dbraw/zinc/26/17/10/1395261710.db2.gz HIGYJDARNDSSRC-WIYYLYMNSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001484322154 1395340448 /nfs/dbraw/zinc/34/04/48/1395340448.db2.gz BMNLYXMHTIBUQL-HXUWFJFHSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001484827642 1395564615 /nfs/dbraw/zinc/56/46/15/1395564615.db2.gz RIMPAJUVJJPEGF-AZUAARDMSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH2+]CC1(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001485459040 1395931583 /nfs/dbraw/zinc/93/15/83/1395931583.db2.gz KNSZRKZSKAGPBN-ROUUACIJSA-N 2 0 335.536 3.234 10 30 EGEERP C=C(C)C[NH2+]CCC[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001485779646 1396150176 /nfs/dbraw/zinc/15/01/76/1396150176.db2.gz KTKJJFXKDKHAIC-FQEVSTJZSA-N 2 0 343.515 3.132 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001502725437 1396221238 /nfs/dbraw/zinc/22/12/38/1396221238.db2.gz VULZONSBIUMIHX-RBUKOAKNSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001493832092 1396343589 /nfs/dbraw/zinc/34/35/89/1396343589.db2.gz WVCJZTFULLAFFQ-IAGOWNOFSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001494842882 1396499152 /nfs/dbraw/zinc/49/91/52/1396499152.db2.gz VCWLVAZOEKPXLI-VQTJNVASSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001689093047 1396899813 /nfs/dbraw/zinc/89/98/13/1396899813.db2.gz OBOCZPUBIBEGTM-QAPCUYQASA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)C[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001690501717 1404614694 /nfs/dbraw/zinc/61/46/94/1404614694.db2.gz OOKIPCUSRAGVSZ-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001691033772 1404943078 /nfs/dbraw/zinc/94/30/78/1404943078.db2.gz OBZDQYGPOSFMKD-QRVBRYPASA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C(C)(C)C ZINC001725748444 1426426707 /nfs/dbraw/zinc/42/67/07/1426426707.db2.gz ALIGDZAWUHMTJN-MOPGFXCFSA-N 2 0 345.531 3.376 10 30 EGEERP C=CCCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001691671638 1405406527 /nfs/dbraw/zinc/40/65/27/1405406527.db2.gz KVJAMDHPSDQBAF-QUCCMNQESA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[N@@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001691736526 1405458722 /nfs/dbraw/zinc/45/87/22/1405458722.db2.gz VYUNIBIUMKGVCB-UHFFFAOYSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691899269 1405622044 /nfs/dbraw/zinc/62/20/44/1405622044.db2.gz RBPBNJHAAOPTOP-VAMGGRTRSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001692325431 1405943892 /nfs/dbraw/zinc/94/38/92/1405943892.db2.gz FTBXMVIFTAHLQS-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[NH+]1CCC(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001732321288 1428531122 /nfs/dbraw/zinc/53/11/22/1428531122.db2.gz GIVRSMRIQAVION-UHFFFAOYSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001732404782 1428568385 /nfs/dbraw/zinc/56/83/85/1428568385.db2.gz BPUYPGAHIQHGPI-IBGZPJMESA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001732524502 1428643859 /nfs/dbraw/zinc/64/38/59/1428643859.db2.gz MXUFGBRHOPDSFW-OALUTQOASA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001732529344 1428649838 /nfs/dbraw/zinc/64/98/38/1428649838.db2.gz CZQKZUYWYXHKHB-YLJYHZDGSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001699684738 1413081064 /nfs/dbraw/zinc/08/10/64/1413081064.db2.gz PHPJYAFIKIMAQI-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC001699735476 1413146904 /nfs/dbraw/zinc/14/69/04/1413146904.db2.gz FHTCWBHVBVMSLE-FXAWDEMLSA-N 2 0 343.515 3.297 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001699879752 1413345783 /nfs/dbraw/zinc/34/57/83/1413345783.db2.gz XISYWVYWHHKFMV-QUCCMNQESA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001700011071 1413453218 /nfs/dbraw/zinc/45/32/18/1413453218.db2.gz GJEXDFUBNSJHLE-OTWHNJEPSA-N 2 0 337.552 3.362 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001700197299 1413639040 /nfs/dbraw/zinc/63/90/40/1413639040.db2.gz JWFBMEQKZAKFKX-WOJBJXKFSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001700199319 1413642283 /nfs/dbraw/zinc/64/22/83/1413642283.db2.gz VGOUFHLDQQGADR-VQTJNVASSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)C[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001700712070 1414368783 /nfs/dbraw/zinc/36/87/83/1414368783.db2.gz HFLLRFAODCXVGG-WOJBJXKFSA-N 2 0 349.563 3.480 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001700926576 1414579717 /nfs/dbraw/zinc/57/97/17/1414579717.db2.gz NJORZFLSYDKERG-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC001701000178 1414652278 /nfs/dbraw/zinc/65/22/78/1414652278.db2.gz KSELUFOLNBPFPE-SFHVURJKSA-N 2 0 331.504 3.058 10 30 EGEERP C=CCCC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001707185804 1417234825 /nfs/dbraw/zinc/23/48/25/1417234825.db2.gz LIWLFVGVHBRBTC-YZGWKJHDSA-N 2 0 347.547 3.042 10 30 EGEERP C=C(C)CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001707274494 1417280945 /nfs/dbraw/zinc/28/09/45/1417280945.db2.gz DEZYIKPHENLVAW-UXHICEINSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001707449342 1417353458 /nfs/dbraw/zinc/35/34/58/1417353458.db2.gz VZHUQNQLPDXBFC-MJGOQNOKSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001713052938 1417604899 /nfs/dbraw/zinc/60/48/99/1417604899.db2.gz MOEVWKOICHETSV-ZWKOTPCHSA-N 2 0 335.536 3.138 10 30 EGEERP C=CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713275899 1417894297 /nfs/dbraw/zinc/89/42/97/1417894297.db2.gz OJJBNZSYZAVGLM-IAGOWNOFSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001733075031 1429229915 /nfs/dbraw/zinc/22/99/15/1429229915.db2.gz KFYBKPLJGUKFAJ-LPHOPBHVSA-N 2 0 340.471 3.097 10 30 EGEERP C=CCCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001713755147 1418558794 /nfs/dbraw/zinc/55/87/94/1418558794.db2.gz VWFAVAZLEGSQOG-ZCNNSNEGSA-N 2 0 349.563 3.243 10 30 EGEERP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001713951746 1418735594 /nfs/dbraw/zinc/73/55/94/1418735594.db2.gz KPLHHOFIHZHORU-IYARVYRRSA-N 2 0 335.536 3.070 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001713977384 1418758481 /nfs/dbraw/zinc/75/84/81/1418758481.db2.gz XFKVTLCABAEBSA-ZWKOTPCHSA-N 2 0 346.519 3.236 10 30 EGEERP CCCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001714091849 1418886127 /nfs/dbraw/zinc/88/61/27/1418886127.db2.gz MPIWJSITBFFPFT-CTNGQTDRSA-N 2 0 349.563 3.271 10 30 EGEERP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001714107619 1418908009 /nfs/dbraw/zinc/90/80/09/1418908009.db2.gz JSAMAEJOHZHNTH-KRWDZBQOSA-N 2 0 340.471 3.193 10 30 EGEERP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001714231714 1419024145 /nfs/dbraw/zinc/02/41/45/1419024145.db2.gz IBYDDNDYSLVNRV-SFHVURJKSA-N 2 0 343.515 3.156 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001714268256 1419049872 /nfs/dbraw/zinc/04/98/72/1419049872.db2.gz NYLXWXKMHOTTLV-UHFFFAOYSA-N 2 0 347.547 3.047 10 30 EGEERP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001714803907 1419517177 /nfs/dbraw/zinc/51/71/77/1419517177.db2.gz DPQLYBQIHYMSOG-MJGOQNOKSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001715464741 1420143815 /nfs/dbraw/zinc/14/38/15/1420143815.db2.gz WHMDURWWQUPYHA-DLBZAZTESA-N 2 0 347.503 3.138 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001715473016 1420152377 /nfs/dbraw/zinc/15/23/77/1420152377.db2.gz KRYZPXKWOPQAEZ-ZWKOTPCHSA-N 2 0 337.552 3.147 10 30 EGEERP C=C(C)CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCCC1 ZINC001716713085 1420866507 /nfs/dbraw/zinc/86/65/07/1420866507.db2.gz LUJUDGHNHNYNAP-UYAOXDASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001717002398 1421072077 /nfs/dbraw/zinc/07/20/77/1421072077.db2.gz RUGBZJLNYXOSRG-FHWLQOOXSA-N 2 0 349.563 3.195 10 30 EGEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001717355809 1421290590 /nfs/dbraw/zinc/29/05/90/1421290590.db2.gz AUDPFOVRXFHQOP-FQEVSTJZSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001717457875 1421387393 /nfs/dbraw/zinc/38/73/93/1421387393.db2.gz WJERIRGSJMDHLY-BZSNNMDCSA-N 2 0 337.552 3.146 10 30 EGEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001717557433 1421493796 /nfs/dbraw/zinc/49/37/96/1421493796.db2.gz OBJUOKXQTMKMAR-PXNSSMCTSA-N 2 0 347.547 3.186 10 30 EGEERP CCCCCCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001717584796 1421511412 /nfs/dbraw/zinc/51/14/12/1421511412.db2.gz CUFBPURMZMCRGW-ROUUACIJSA-N 2 0 337.552 3.125 10 30 EGEERP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001717627004 1421536024 /nfs/dbraw/zinc/53/60/24/1421536024.db2.gz KWEVXGNJFAZPQS-UFYCRDLUSA-N 2 0 347.547 3.045 10 30 EGEERP CCCCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001717800753 1421629633 /nfs/dbraw/zinc/62/96/33/1421629633.db2.gz HJWJFQUNMHZQAI-MOPGFXCFSA-N 2 0 337.552 3.268 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(C)(C)C ZINC001717964300 1421735694 /nfs/dbraw/zinc/73/56/94/1421735694.db2.gz RUOZYZAEHRGDOY-KRWDZBQOSA-N 2 0 337.552 3.195 10 30 EGEERP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001733449005 1429659925 /nfs/dbraw/zinc/65/99/25/1429659925.db2.gz DVNXUOFOWGTFFX-GOSISDBHSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001733458575 1429679519 /nfs/dbraw/zinc/67/95/19/1429679519.db2.gz GSRWBVWRXUUCMV-UYAOXDASSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001733465745 1429697975 /nfs/dbraw/zinc/69/79/75/1429697975.db2.gz OOYHREJRENBRRT-OAQYLSRUSA-N 2 0 343.515 3.156 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001723689677 1424530976 /nfs/dbraw/zinc/53/09/76/1424530976.db2.gz AQDZXGQWIUHERO-TZIWHRDSSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724239841 1424750092 /nfs/dbraw/zinc/75/00/92/1424750092.db2.gz ZCENCVMAMWIUTH-XLIONFOSSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724330361 1424822977 /nfs/dbraw/zinc/82/29/77/1424822977.db2.gz NXBDDFAWQIEMSK-GHTZIAJQSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001724707575 1425063848 /nfs/dbraw/zinc/06/38/48/1425063848.db2.gz LYVDTIJLHLXVKM-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001724741222 1425106151 /nfs/dbraw/zinc/10/61/51/1425106151.db2.gz NODAYSSYPHNVLI-UHFFFAOYSA-N 2 0 343.515 3.043 10 30 EGEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001725145018 1425625630 /nfs/dbraw/zinc/62/56/30/1425625630.db2.gz DIHRPLGMEMXNOZ-SFHVURJKSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001725241485 1425847891 /nfs/dbraw/zinc/84/78/91/1425847891.db2.gz PEFBGAZAXSFEJZ-PMACEKPBSA-N 2 0 349.563 3.434 10 30 EGEERP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001731292446 1427234637 /nfs/dbraw/zinc/23/46/37/1427234637.db2.gz FAJIJKJOSREGIU-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001731562191 1427600505 /nfs/dbraw/zinc/60/05/05/1427600505.db2.gz XPCZUKUZTQSEGO-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001731571325 1427612362 /nfs/dbraw/zinc/61/23/62/1427612362.db2.gz DOWWVPJXVSGIAT-CTWPCTMYSA-N 2 0 335.536 3.233 10 30 EGEERP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001734105427 1437891574 /nfs/dbraw/zinc/89/15/74/1437891574.db2.gz FRPOELMLFFWDRL-VQTJNVASSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001734106644 1437892973 /nfs/dbraw/zinc/89/29/73/1437892973.db2.gz RXCVXJAKVVHVGA-LJQANCHMSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001734289332 1438019692 /nfs/dbraw/zinc/01/96/92/1438019692.db2.gz HYGRKDJISOLOET-IAGOWNOFSA-N 2 0 343.943 3.122 10 30 EGEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001734304568 1438035887 /nfs/dbraw/zinc/03/58/87/1438035887.db2.gz KXDLCYKOQSUBHN-UXHICEINSA-N 2 0 347.547 3.186 10 30 EGEERP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123316895 152451940 /nfs/dbraw/zinc/45/19/40/152451940.db2.gz WYICOEULDFUFEJ-IAGOWNOFSA-N 2 0 339.487 3.054 10 30 EGEERP CCC[NH+]1CCC(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000560527289 315703529 /nfs/dbraw/zinc/70/35/29/315703529.db2.gz CZDVPJDUUHJCNL-UHFFFAOYSA-N 2 0 340.515 3.239 10 30 EGEERP CC1CC[NH+](Cc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)CC1 ZINC000600717170 460577706 /nfs/dbraw/zinc/57/77/06/460577706.db2.gz JNROHYMMXWURPK-HXUWFJFHSA-N 2 0 341.499 3.063 10 30 EGEERP C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000071825373 454226279 /nfs/dbraw/zinc/22/62/79/454226279.db2.gz IDCQMBWWRYJUOP-KRWDZBQOSA-N 2 0 334.467 3.161 10 30 EGEERP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(C(C)(C)C#N)cc3)c2)CC1 ZINC000601068391 460698054 /nfs/dbraw/zinc/69/80/54/460698054.db2.gz MUAPDVXOOMKTPB-UHFFFAOYSA-N 2 0 349.482 3.247 10 30 EGEERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169034 460035314 /nfs/dbraw/zinc/03/53/14/460035314.db2.gz PBNONNFWWXSUHM-FQEVSTJZSA-N 2 0 343.515 3.420 10 30 EGEERP C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)C(C)C ZINC000662380375 461222807 /nfs/dbraw/zinc/22/28/07/461222807.db2.gz KSSIZCKUQHQPIL-WOJBJXKFSA-N 2 0 341.499 3.036 10 30 EGEERP C=C(C)C[NH+]1CCC(NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000152973605 526602996 /nfs/dbraw/zinc/60/29/96/526602996.db2.gz HZVSGJSWKLVMLI-UHFFFAOYSA-N 2 0 341.543 3.324 10 30 EGEERP C=CCC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCCO1 ZINC000883234634 1302324661 /nfs/dbraw/zinc/32/46/61/1302324661.db2.gz JJTIOIUIENYIKO-LEWJYISDSA-N 2 0 343.515 3.397 10 30 EGEERP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886620021 1303527722 /nfs/dbraw/zinc/52/77/22/1303527722.db2.gz AAEAIDWFANMENS-FCMAGTKHSA-N 2 0 326.484 3.363 10 30 EGEERP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cncc(C#N)c1 ZINC000930169542 1328803119 /nfs/dbraw/zinc/80/31/19/1328803119.db2.gz BDQZKVQVIIPKMT-UHFFFAOYSA-N 2 0 335.455 3.087 10 30 EGEERP C=C(C)C[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926863332 1327745013 /nfs/dbraw/zinc/74/50/13/1327745013.db2.gz KMZAKTZEVKKRAH-ASJDWODUSA-N 2 0 328.500 3.489 10 30 EGEERP C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866616932 1330133665 /nfs/dbraw/zinc/13/36/65/1330133665.db2.gz CSTCZCNHYNVFII-HRAATJIYSA-N 2 0 349.478 3.317 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001323638804 1387414669 /nfs/dbraw/zinc/41/46/69/1387414669.db2.gz VHKGRZGBSYMZHJ-ICSRJNTNSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001323733314 1387434912 /nfs/dbraw/zinc/43/49/12/1387434912.db2.gz FGHLMZDZIMAZAV-IBGZPJMESA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001323871017 1387483818 /nfs/dbraw/zinc/48/38/18/1387483818.db2.gz ATNOAIDHJHBCPC-PZJWPPBQSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH+]1CCC(C)(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001324354702 1387607886 /nfs/dbraw/zinc/60/78/86/1387607886.db2.gz XILSSMIQZWOYFV-UHFFFAOYSA-N 2 0 335.536 3.189 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001324505285 1387654564 /nfs/dbraw/zinc/65/45/64/1387654564.db2.gz IUGWNTCWFICOLQ-RBUKOAKNSA-N 2 0 335.536 3.090 10 30 EGEERP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001326480388 1388209235 /nfs/dbraw/zinc/20/92/35/1388209235.db2.gz MNNCDANHQOFTSZ-ROUUACIJSA-N 2 0 343.515 3.404 10 30 EGEERP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001271790729 1377652312 /nfs/dbraw/zinc/65/23/12/1377652312.db2.gz QGEFOUBEEFEOJS-HXUWFJFHSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001275725254 1378153408 /nfs/dbraw/zinc/15/34/08/1378153408.db2.gz IQGPARIJPXHQBG-UHFFFAOYSA-N 2 0 331.504 3.012 10 30 EGEERP C=CCC[C@H](C)[NH+]1C[C@@]2(C)CN(C(=O)CC[N@@H+](C)CCC)C[C@@]2(C)C1 ZINC001276913164 1378193363 /nfs/dbraw/zinc/19/33/63/1378193363.db2.gz XMMNGDCAHJRWIL-SESVDKBCSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(CC[NH+](C)C)C(=O)N(CCCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001144566533 1378745095 /nfs/dbraw/zinc/74/50/95/1378745095.db2.gz GVGWHDMXFAWJSI-UHFFFAOYSA-N 2 0 337.552 3.432 10 30 EGEERP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001284718459 1380137020 /nfs/dbraw/zinc/13/70/20/1380137020.db2.gz AQFOWCIIFAFIFU-SFHVURJKSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001328503750 1388766539 /nfs/dbraw/zinc/76/65/39/1388766539.db2.gz USKBNFULQVSCDE-LJQANCHMSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001316614422 1384482877 /nfs/dbraw/zinc/48/28/77/1384482877.db2.gz FOMGEQJRNOBQFH-GBESFXJTSA-N 2 0 347.547 3.092 10 30 EGEERP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001317429644 1385134617 /nfs/dbraw/zinc/13/46/17/1385134617.db2.gz WULSJRGVZIJWKE-LJQANCHMSA-N 2 0 347.547 3.024 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001317882566 1385561069 /nfs/dbraw/zinc/56/10/69/1385561069.db2.gz QTSXCXBGCDOUJO-LJQANCHMSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001319775209 1386290683 /nfs/dbraw/zinc/29/06/83/1386290683.db2.gz RRSXKOZGQLINEX-GOSISDBHSA-N 2 0 337.552 3.291 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001698693938 1406337633 /nfs/dbraw/zinc/33/76/33/1406337633.db2.gz HBTVSKMUSNPTAK-UHFFFAOYSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001698711519 1406353640 /nfs/dbraw/zinc/35/36/40/1406353640.db2.gz JVVUBXXVVCQUCX-FHWLQOOXSA-N 2 0 335.536 3.234 10 30 EGEERP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001329733759 1389212410 /nfs/dbraw/zinc/21/24/10/1389212410.db2.gz JGSOGQOEODVHGZ-IRXDYDNUSA-N 2 0 343.943 3.074 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001330244582 1389363522 /nfs/dbraw/zinc/36/35/22/1389363522.db2.gz NBHDLJMDSRHMKK-ZWKOTPCHSA-N 2 0 337.552 3.125 10 30 EGEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001698807342 1406490380 /nfs/dbraw/zinc/49/03/80/1406490380.db2.gz ZNWDNDKDVCPPLK-MSOLQXFVSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001479687724 1392319794 /nfs/dbraw/zinc/31/97/94/1392319794.db2.gz MCYQNVAJRJCOOL-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001479696490 1392326508 /nfs/dbraw/zinc/32/65/08/1392326508.db2.gz ZOIKBUVBOYLNNK-IBGZPJMESA-N 2 0 335.536 3.189 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001698871813 1406591998 /nfs/dbraw/zinc/59/19/98/1406591998.db2.gz OZPMRYDCOQNMET-UYAOXDASSA-N 2 0 349.563 3.480 10 30 EGEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001480723376 1392884912 /nfs/dbraw/zinc/88/49/12/1392884912.db2.gz CDZVNRQDSLOSPV-UYAOXDASSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001481338159 1393166719 /nfs/dbraw/zinc/16/67/19/1393166719.db2.gz SYQOPFYNNOTVIR-GOSISDBHSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001490419056 1394220213 /nfs/dbraw/zinc/22/02/13/1394220213.db2.gz YNTCSNCTLNSBTO-SFHVURJKSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001482050993 1394714371 /nfs/dbraw/zinc/71/43/71/1394714371.db2.gz MFUKWJKJOWUQSP-LJQANCHMSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001482474930 1395029547 /nfs/dbraw/zinc/02/95/47/1395029547.db2.gz GBFHMDCGXBLNHK-ICSRJNTNSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001482481393 1395035373 /nfs/dbraw/zinc/03/53/73/1395035373.db2.gz ZIPLDMUHGACNJD-UYAOXDASSA-N 2 0 349.563 3.290 10 30 EGEERP CCCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001484100990 1395250467 /nfs/dbraw/zinc/25/04/67/1395250467.db2.gz PMBZWROAJRWJGH-QUCCMNQESA-N 2 0 337.552 3.269 10 30 EGEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001484122261 1395264782 /nfs/dbraw/zinc/26/47/82/1395264782.db2.gz QOKZLFQXALCFKQ-PZJWPPBQSA-N 2 0 343.515 3.084 10 30 EGEERP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001484145726 1395281890 /nfs/dbraw/zinc/28/18/90/1395281890.db2.gz ZOFADEHPHLWROM-RTBURBONSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001484827645 1395565395 /nfs/dbraw/zinc/56/53/95/1395565395.db2.gz RIMPAJUVJJPEGF-UYAOXDASSA-N 2 0 347.547 3.140 10 30 EGEERP C=CC[NH+]1CCCCC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001485480729 1395962233 /nfs/dbraw/zinc/96/22/33/1395962233.db2.gz RVFAJNFCHCFBRO-IBGZPJMESA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001491958284 1396300594 /nfs/dbraw/zinc/30/05/94/1396300594.db2.gz CAVXKYFLQFWVDT-VQTJNVASSA-N 2 0 343.515 3.178 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CCC)CC2 ZINC001495974658 1396584263 /nfs/dbraw/zinc/58/42/63/1396584263.db2.gz YDGDDTUIXIQTMF-MOPGFXCFSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001691738346 1405460548 /nfs/dbraw/zinc/46/05/48/1405460548.db2.gz ITZFVQAHNRTNSY-VQTJNVASSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)C[N@@H+](C)CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001692023505 1405742266 /nfs/dbraw/zinc/74/22/66/1405742266.db2.gz VIOYUTLUKIAATF-UHFFFAOYSA-N 2 0 343.515 3.108 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001732185016 1428433833 /nfs/dbraw/zinc/43/38/33/1428433833.db2.gz JOWGDGLXLDJCDJ-CTNGQTDRSA-N 2 0 349.563 3.366 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001732277551 1428511031 /nfs/dbraw/zinc/51/10/31/1428511031.db2.gz CXIZAZPGFPSSNW-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001732289449 1428515855 /nfs/dbraw/zinc/51/58/55/1428515855.db2.gz WDBBJQOCMHFJAE-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH+]1CCC(C)(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001699860350 1413293547 /nfs/dbraw/zinc/29/35/47/1413293547.db2.gz BHASSMKOEOEIRY-UHFFFAOYSA-N 2 0 340.471 3.051 10 30 EGEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001699860796 1413294032 /nfs/dbraw/zinc/29/40/32/1413294032.db2.gz BKMNLQMKAFJKED-UHFFFAOYSA-N 2 0 349.544 3.218 10 30 EGEERP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001700095410 1413510517 /nfs/dbraw/zinc/51/05/17/1413510517.db2.gz YSCSXQGDAFMTEJ-KRWDZBQOSA-N 2 0 341.499 3.158 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001700105709 1413524801 /nfs/dbraw/zinc/52/48/01/1413524801.db2.gz QTCGWLCRDMTXMK-KESTWPANSA-N 2 0 349.563 3.338 10 30 EGEERP C=CCC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001700434025 1413998960 /nfs/dbraw/zinc/99/89/60/1413998960.db2.gz ASGIQHBBGUGLJU-UHFFFAOYSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001700926579 1414579931 /nfs/dbraw/zinc/57/99/31/1414579931.db2.gz NJORZFLSYDKERG-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001707170589 1417228276 /nfs/dbraw/zinc/22/82/76/1417228276.db2.gz ZGMCAYIXWRLRLO-QRVBRYPASA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001707238604 1417258871 /nfs/dbraw/zinc/25/88/71/1417258871.db2.gz SYRIVNDZLOBHCM-QZTJIDSGSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001707242816 1417262481 /nfs/dbraw/zinc/26/24/81/1417262481.db2.gz WYHGKNRJKWWTKX-PMACEKPBSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001713741724 1418544055 /nfs/dbraw/zinc/54/40/55/1418544055.db2.gz NHWQXLAVTJFPRE-GOSISDBHSA-N 2 0 343.515 3.156 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713752301 1418553601 /nfs/dbraw/zinc/55/36/01/1418553601.db2.gz MDHVIZGBXKNOCR-RTBURBONSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[N@@H+](C)CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001713764483 1418576217 /nfs/dbraw/zinc/57/62/17/1418576217.db2.gz DKWUTMVJSBWYNA-UHFFFAOYSA-N 2 0 340.471 3.003 10 30 EGEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001713766453 1418580727 /nfs/dbraw/zinc/58/07/27/1418580727.db2.gz AFHQISKCSDPYKT-PMACEKPBSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001713767147 1418581453 /nfs/dbraw/zinc/58/14/53/1418581453.db2.gz ZSOMHYDFSSOISO-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001713910996 1418707353 /nfs/dbraw/zinc/70/73/53/1418707353.db2.gz XDFDMURQXJDUHV-YRXWBPOGSA-N 2 0 335.536 3.137 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001733180847 1429282692 /nfs/dbraw/zinc/28/26/92/1429282692.db2.gz MIQJJEGDIBLKHQ-WOJBJXKFSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001714313000 1419093509 /nfs/dbraw/zinc/09/35/09/1419093509.db2.gz NKSCROUWTKQAEE-VAMGGRTRSA-N 2 0 343.515 3.273 10 30 EGEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001715144622 1419890637 /nfs/dbraw/zinc/89/06/37/1419890637.db2.gz JHOGUKSAAFBEGH-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001716867882 1420996135 /nfs/dbraw/zinc/99/61/35/1420996135.db2.gz XGFXJMYWOBGFHN-UYAOXDASSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001716867881 1420996152 /nfs/dbraw/zinc/99/61/52/1420996152.db2.gz XGFXJMYWOBGFHN-QUCCMNQESA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001716877426 1421002699 /nfs/dbraw/zinc/00/26/99/1421002699.db2.gz ZCJUZNBOXMQNKI-OAQYLSRUSA-N 2 0 343.515 3.156 10 30 EGEERP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001717553670 1421491022 /nfs/dbraw/zinc/49/10/22/1421491022.db2.gz UWSXUVLRHGUQKH-SFHVURJKSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001717705811 1421581132 /nfs/dbraw/zinc/58/11/32/1421581132.db2.gz NTKNAMVNYZOSOH-GOSISDBHSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001717740681 1421604239 /nfs/dbraw/zinc/60/42/39/1421604239.db2.gz UJTDCWALGGYEHV-IBGZPJMESA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001733384913 1429572051 /nfs/dbraw/zinc/57/20/51/1429572051.db2.gz DFXVKNNNCHBVND-MJGOQNOKSA-N 2 0 335.536 3.092 10 30 EGEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1CC ZINC001733518429 1429728125 /nfs/dbraw/zinc/72/81/25/1429728125.db2.gz NNNPPGZHVGUMED-PMACEKPBSA-N 2 0 343.515 3.055 10 30 EGEERP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001724325076 1424813320 /nfs/dbraw/zinc/81/33/20/1424813320.db2.gz UZOFVPGWMJPIHL-FPOVZHCZSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001724341108 1424835001 /nfs/dbraw/zinc/83/50/01/1424835001.db2.gz QOLQHVKDBIFVNW-CTNGQTDRSA-N 2 0 349.563 3.434 10 30 EGEERP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001724869773 1425252743 /nfs/dbraw/zinc/25/27/43/1425252743.db2.gz WBJPYEYJPCSLTK-WOJBJXKFSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001725230529 1425803119 /nfs/dbraw/zinc/80/31/19/1425803119.db2.gz VPOLDILFLZLNOU-MSOLQXFVSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001725649782 1426332539 /nfs/dbraw/zinc/33/25/39/1426332539.db2.gz BJZQFDIHDWXCOM-YLJYHZDGSA-N 2 0 343.515 3.203 10 30 EGEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001731296603 1427239462 /nfs/dbraw/zinc/23/94/62/1427239462.db2.gz YGWKIULKGYTZHQ-IEBWSBKVSA-N 2 0 335.536 3.042 10 30 EGEERP CCCCCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001731347666 1427285185 /nfs/dbraw/zinc/28/51/85/1427285185.db2.gz PYFNTLUIAFNQGA-IEBWSBKVSA-N 2 0 337.552 3.220 10 30 EGEERP C=CCCC[NH+]1CCC(N(CCC)C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001731387550 1427335557 /nfs/dbraw/zinc/33/55/57/1427335557.db2.gz KEAVMDCVOBQOOC-NRFANRHFSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001731430295 1427411767 /nfs/dbraw/zinc/41/17/67/1427411767.db2.gz PCWRIMYUFHMEHE-ZCNNSNEGSA-N 2 0 347.547 3.138 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001731551582 1427572567 /nfs/dbraw/zinc/57/25/67/1427572567.db2.gz LODRHKYNHFAHHQ-WOJBJXKFSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731712706 1427773548 /nfs/dbraw/zinc/77/35/48/1427773548.db2.gz KOQYYVLLYQIOIB-FQEVSTJZSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001731993353 1428202187 /nfs/dbraw/zinc/20/21/87/1428202187.db2.gz BMBCCTISAPFXRB-HKUYNNGSSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001734091802 1437876080 /nfs/dbraw/zinc/87/60/80/1437876080.db2.gz OCXXGXVSFJMEHI-MOPGFXCFSA-N 2 0 349.563 3.482 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001734449536 1438108889 /nfs/dbraw/zinc/10/88/89/1438108889.db2.gz LLZUCJJZXSNOQS-VAMGGRTRSA-N 2 0 347.547 3.045 10 30 EGEERP N#Cc1ccc(C[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000075602888 216644587 /nfs/dbraw/zinc/64/45/87/216644587.db2.gz AYKHGCIEFOMICT-JOCHJYFZSA-N 2 0 349.478 3.093 10 30 EGEERP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000123354216 162255195 /nfs/dbraw/zinc/25/51/95/162255195.db2.gz SEKJXXKWWCSGDG-UHFFFAOYSA-N 2 0 347.466 3.338 10 30 EGEERP C=CCOc1ccccc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000237669026 455205486 /nfs/dbraw/zinc/20/54/86/455205486.db2.gz VEBIXDIPTDWSIJ-ROUUACIJSA-N 2 0 332.488 3.230 10 30 EGEERP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000594514064 459072482 /nfs/dbraw/zinc/07/24/82/459072482.db2.gz OWHFKUSVCFAXDX-ROUUACIJSA-N 2 0 343.515 3.467 10 30 EGEERP CN(CCC[NH+](C)C)CCNc1c(C#N)cnc2c(Cl)cccc21 ZINC000596425145 459633278 /nfs/dbraw/zinc/63/32/78/459633278.db2.gz MQKGCKZKZIQJFM-UHFFFAOYSA-N 2 0 345.878 3.055 10 30 EGEERP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000651727897 462317458 /nfs/dbraw/zinc/31/74/58/462317458.db2.gz DJZGTCXBFMISAZ-YLJYHZDGSA-N 2 0 328.500 3.478 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000876732852 1298943264 /nfs/dbraw/zinc/94/32/64/1298943264.db2.gz HVGWFWNPAOREQG-QZTJIDSGSA-N 2 0 349.906 3.046 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000876732851 1298945448 /nfs/dbraw/zinc/94/54/48/1298945448.db2.gz HVGWFWNPAOREQG-MSOLQXFVSA-N 2 0 349.906 3.046 10 30 EGEERP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000921858286 1322414238 /nfs/dbraw/zinc/41/42/38/1322414238.db2.gz CXAYUKUIKIOZLS-NHCUHLMSSA-N 2 0 341.499 3.033 10 30 EGEERP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940737026 1331173512 /nfs/dbraw/zinc/17/35/12/1331173512.db2.gz MCFNMGMKCDQPMT-ZWKOTPCHSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940748094 1331177941 /nfs/dbraw/zinc/17/79/41/1331177941.db2.gz UVNMVJOJVSEYFO-GOSISDBHSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)C1 ZINC001323636044 1387413265 /nfs/dbraw/zinc/41/32/65/1387413265.db2.gz BHZJNUXLXLTSDM-LJQANCHMSA-N 2 0 349.563 3.101 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001324286892 1387582434 /nfs/dbraw/zinc/58/24/34/1387582434.db2.gz VICAFUQGMHDBNC-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001324328826 1387592350 /nfs/dbraw/zinc/59/23/50/1387592350.db2.gz IYOFTGIRWIWNLW-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001324328825 1387592595 /nfs/dbraw/zinc/59/25/95/1387592595.db2.gz IYOFTGIRWIWNLW-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001324482730 1387640758 /nfs/dbraw/zinc/64/07/58/1387640758.db2.gz NDPGFWWWYUKPAR-IEBWSBKVSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001324974486 1387863287 /nfs/dbraw/zinc/86/32/87/1387863287.db2.gz ABNYOUZDHMJUJH-PZJWPPBQSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001326521748 1388228737 /nfs/dbraw/zinc/22/87/37/1388228737.db2.gz PHHDQFHNNOFFBI-QWFCFKBJSA-N 2 0 347.547 3.234 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001267582429 1377461425 /nfs/dbraw/zinc/46/14/25/1377461425.db2.gz ISFYYPUBSBNGEG-INIZCTEOSA-N 2 0 349.544 3.170 10 30 EGEERP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001275724726 1378153715 /nfs/dbraw/zinc/15/37/15/1378153715.db2.gz ANNKOFCUTYJKDD-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001278908824 1378289669 /nfs/dbraw/zinc/28/96/69/1378289669.db2.gz YOIINCOVDRUGQY-IBGZPJMESA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001282682643 1378555826 /nfs/dbraw/zinc/55/58/26/1378555826.db2.gz SFUHJMWJZYQQOS-LJQANCHMSA-N 2 0 335.536 3.189 10 30 EGEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001316707998 1384532478 /nfs/dbraw/zinc/53/24/78/1384532478.db2.gz AXVTYUVWGRBJJF-SJORKVTESA-N 2 0 347.503 3.138 10 30 EGEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001316812283 1384610969 /nfs/dbraw/zinc/61/09/69/1384610969.db2.gz ZLGWZFWJQHHBLG-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317139678 1384905716 /nfs/dbraw/zinc/90/57/16/1384905716.db2.gz KKVKFBXEXJHGCA-MSOLQXFVSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001317209609 1384988039 /nfs/dbraw/zinc/98/80/39/1384988039.db2.gz SYPHIZFTQYQYFS-RBUKOAKNSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317804601 1385501229 /nfs/dbraw/zinc/50/12/29/1385501229.db2.gz CSFNHXHKBFUIOQ-OALUTQOASA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317804600 1385501484 /nfs/dbraw/zinc/50/14/84/1385501484.db2.gz CSFNHXHKBFUIOQ-MOPGFXCFSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001318664558 1385824467 /nfs/dbraw/zinc/82/44/67/1385824467.db2.gz PARKNXXOBXLBCA-SFHVURJKSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001319069832 1385951991 /nfs/dbraw/zinc/95/19/91/1385951991.db2.gz NLYZUFAKOCRQOJ-QZTJIDSGSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001319486276 1386142270 /nfs/dbraw/zinc/14/22/70/1386142270.db2.gz MRYSYKZLZNCYQV-CABCVRRESA-N 2 0 328.460 3.048 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001329231198 1389029445 /nfs/dbraw/zinc/02/94/45/1389029445.db2.gz PYQIHJIWARPHJJ-WWDZGPRUSA-N 2 0 335.536 3.185 10 30 EGEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001331440310 1389749656 /nfs/dbraw/zinc/74/96/56/1389749656.db2.gz RUUOPFGIXAPTCV-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001332217172 1390048088 /nfs/dbraw/zinc/04/80/88/1390048088.db2.gz GTJMKFIHXJSZNN-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001332991781 1390231801 /nfs/dbraw/zinc/23/18/01/1390231801.db2.gz KAZYWQNLMZTHJF-PKOBYXMFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001333164949 1390258518 /nfs/dbraw/zinc/25/85/18/1390258518.db2.gz BWPSZMFKTKUISR-LJQANCHMSA-N 2 0 347.547 3.188 10 30 EGEERP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001479597574 1392284851 /nfs/dbraw/zinc/28/48/51/1392284851.db2.gz NEIXBOSDUUIJDQ-VAMGGRTRSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@H](C)n1ccnc1 ZINC001479597194 1392284888 /nfs/dbraw/zinc/28/48/88/1392284888.db2.gz FTVYVALLFGXPPX-CEXWTWQISA-N 2 0 346.519 3.407 10 30 EGEERP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC(C)(C)C1 ZINC001479746829 1392363708 /nfs/dbraw/zinc/36/37/08/1392363708.db2.gz VXVYTJRKQIJXIC-QGZVFWFLSA-N 2 0 337.552 3.147 10 30 EGEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001479823470 1392412440 /nfs/dbraw/zinc/41/24/40/1392412440.db2.gz DZTFHKZXWPPRCS-BEFAXECRSA-N 2 0 340.471 3.192 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001480138655 1392598492 /nfs/dbraw/zinc/59/84/92/1392598492.db2.gz KUJMRUKMZWSMOH-FCGDIQPGSA-N 2 0 347.547 3.233 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001698920180 1406654830 /nfs/dbraw/zinc/65/48/30/1406654830.db2.gz KAFKMKHVDGLAHA-HXUWFJFHSA-N 2 0 347.547 3.045 10 30 EGEERP C=CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001481508152 1394355116 /nfs/dbraw/zinc/35/51/16/1394355116.db2.gz GDCCTTGCCSXMKI-WOJBJXKFSA-N 2 0 343.515 3.006 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001481678433 1394444118 /nfs/dbraw/zinc/44/41/18/1394444118.db2.gz TVFRYDJGMOARHK-UFYCRDLUSA-N 2 0 349.563 3.364 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001491269400 1394497587 /nfs/dbraw/zinc/49/75/87/1394497587.db2.gz AUTUMKMMIKQCTQ-WOJBJXKFSA-N 2 0 343.515 3.226 10 30 EGEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001482034374 1394694102 /nfs/dbraw/zinc/69/41/02/1394694102.db2.gz ZTWPDZZZAJDKNH-HXUWFJFHSA-N 2 0 343.515 3.231 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482061555 1394722347 /nfs/dbraw/zinc/72/23/47/1394722347.db2.gz OOJDVXXLVNASCK-WOJBJXKFSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CC)CC2 ZINC001482246748 1394843664 /nfs/dbraw/zinc/84/36/64/1394843664.db2.gz QWYRVVRZOSDYQR-RTBURBONSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001482409584 1394974433 /nfs/dbraw/zinc/97/44/33/1394974433.db2.gz OLMGPJIEWZYRON-YSIASYRMSA-N 2 0 349.563 3.338 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001482434761 1394995885 /nfs/dbraw/zinc/99/58/85/1394995885.db2.gz YJSGBEIYIQLJGW-WOJBJXKFSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001484137967 1395274670 /nfs/dbraw/zinc/27/46/70/1395274670.db2.gz ZOVXETDUMHITQP-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001484556052 1395436384 /nfs/dbraw/zinc/43/63/84/1395436384.db2.gz IDIUGWLCYUKJLC-UHFFFAOYSA-N 2 0 343.515 3.185 10 30 EGEERP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001485484744 1395971364 /nfs/dbraw/zinc/97/13/64/1395971364.db2.gz KNWYVUOBKUYFAW-LJQANCHMSA-N 2 0 335.536 3.189 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC001485568966 1396032275 /nfs/dbraw/zinc/03/22/75/1396032275.db2.gz CSSCAOVZUHEMRS-ZWKOTPCHSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC001485579874 1396052559 /nfs/dbraw/zinc/05/25/59/1396052559.db2.gz WLXRGEAOXWYTND-IEBWSBKVSA-N 2 0 349.563 3.288 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001486203041 1396181969 /nfs/dbraw/zinc/18/19/69/1396181969.db2.gz TUXNWQGCBZRSDI-NVXWUHKLSA-N 2 0 349.544 3.264 10 30 EGEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001505401283 1396289229 /nfs/dbraw/zinc/28/92/29/1396289229.db2.gz XNTZDIPVQRJSAG-KDURUIRLSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001491955590 1396300538 /nfs/dbraw/zinc/30/05/38/1396300538.db2.gz TZZLCMNKDLRWRU-FQEVSTJZSA-N 2 0 343.515 3.251 10 30 EGEERP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001495391446 1396534575 /nfs/dbraw/zinc/53/45/75/1396534575.db2.gz OZDKLUVURCTHDP-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001496398153 1396687738 /nfs/dbraw/zinc/68/77/38/1396687738.db2.gz DUPRSKNLDXFJKV-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001496398151 1396688070 /nfs/dbraw/zinc/68/80/70/1396688070.db2.gz DUPRSKNLDXFJKV-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001689089264 1396892229 /nfs/dbraw/zinc/89/22/29/1396892229.db2.gz MFJAEFBHJHPEQF-YSTOQKLRSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001690125990 1404319698 /nfs/dbraw/zinc/31/96/98/1404319698.db2.gz KPEAZGYFHJRWLH-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001690457947 1404586309 /nfs/dbraw/zinc/58/63/09/1404586309.db2.gz VNIJNTLHSHTLGO-FQEVSTJZSA-N 2 0 347.547 3.045 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001690504441 1404616675 /nfs/dbraw/zinc/61/66/75/1404616675.db2.gz DINOUAPUPSWBJK-OALUTQOASA-N 2 0 349.563 3.269 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001691153826 1405087064 /nfs/dbraw/zinc/08/70/64/1405087064.db2.gz FEGBBSGRCNMZPA-FHWLQOOXSA-N 2 0 337.552 3.125 10 30 EGEERP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001691628733 1405365751 /nfs/dbraw/zinc/36/57/51/1405365751.db2.gz BHUYKKWLOPLXOM-PMACEKPBSA-N 2 0 349.563 3.435 10 30 EGEERP C=CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccc(C(C)C)cc1 ZINC001691772927 1405483872 /nfs/dbraw/zinc/48/38/72/1405483872.db2.gz SDWIIMTVTQMIGV-FQEVSTJZSA-N 2 0 343.515 3.085 10 30 EGEERP C=CCC[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)c1ccccc1 ZINC001691787006 1405495487 /nfs/dbraw/zinc/49/54/87/1405495487.db2.gz ITHUMNGLPVGBMG-HXUWFJFHSA-N 2 0 348.450 3.280 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001692127614 1405786523 /nfs/dbraw/zinc/78/65/23/1405786523.db2.gz AQRGFDKMEKZRKO-ICSRJNTNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001692253222 1405879413 /nfs/dbraw/zinc/87/94/13/1405879413.db2.gz XUUJOLJHYGYBJC-OALUTQOASA-N 2 0 335.536 3.138 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001692276309 1405909901 /nfs/dbraw/zinc/90/99/01/1405909901.db2.gz YJTKNUXYIBQKQU-ZWKOTPCHSA-N 2 0 349.563 3.432 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001698573710 1406180650 /nfs/dbraw/zinc/18/06/50/1406180650.db2.gz BVQMYRFTJWOTAK-OALUTQOASA-N 2 0 337.552 3.364 10 30 EGEERP C=CCC[NH+]1CCC(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001732322981 1428532200 /nfs/dbraw/zinc/53/22/00/1428532200.db2.gz JTLKCNMCGGDKKL-UHFFFAOYSA-N 2 0 349.544 3.218 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001732324081 1428533128 /nfs/dbraw/zinc/53/31/28/1428533128.db2.gz XKKLLQHFRKTPGU-UHFFFAOYSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCC1 ZINC001732397232 1428564429 /nfs/dbraw/zinc/56/44/29/1428564429.db2.gz RIHMZXGOKKIVCP-QGZVFWFLSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001699844251 1413272954 /nfs/dbraw/zinc/27/29/54/1413272954.db2.gz KBFSXROILAJGGP-XLIONFOSSA-N 2 0 337.552 3.147 10 30 EGEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001700099016 1413516250 /nfs/dbraw/zinc/51/62/50/1413516250.db2.gz BLANMORTRKZWNT-IYARVYRRSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001700183445 1413599669 /nfs/dbraw/zinc/59/96/69/1413599669.db2.gz DUNAOIJOIILIAA-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001700532613 1414200265 /nfs/dbraw/zinc/20/02/65/1414200265.db2.gz XANVWNIJVDUXGN-IBGZPJMESA-N 2 0 335.536 3.189 10 30 EGEERP CCCCCCC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001700566490 1414234024 /nfs/dbraw/zinc/23/40/24/1414234024.db2.gz DVBXDGAHGXSJLQ-KRWDZBQOSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001700831753 1414485865 /nfs/dbraw/zinc/48/58/65/1414485865.db2.gz YOJQXZUUPWXIQV-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001700843495 1414493160 /nfs/dbraw/zinc/49/31/60/1414493160.db2.gz RWBBILBUAVJNFH-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1(C)C ZINC001700920326 1414572534 /nfs/dbraw/zinc/57/25/34/1414572534.db2.gz XVJHVQMHXHJRDH-IBGZPJMESA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH+]1CCC([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001701013178 1414674411 /nfs/dbraw/zinc/67/44/11/1414674411.db2.gz FGCCKZUGFNKHOV-SFHVURJKSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001701062666 1414720187 /nfs/dbraw/zinc/72/01/87/1414720187.db2.gz KFSZMADPZSYDGW-HXUWFJFHSA-N 2 0 347.547 3.211 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001707142980 1417220298 /nfs/dbraw/zinc/22/02/98/1417220298.db2.gz RBLDQSNRAQQFJI-AZUAARDMSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001707163289 1417226194 /nfs/dbraw/zinc/22/61/94/1417226194.db2.gz JKKUHXCRODSEDT-AQNXPRMDSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001713218446 1417797906 /nfs/dbraw/zinc/79/79/06/1417797906.db2.gz VGNMONAOMSKYMF-ZCNNSNEGSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001713680439 1418432241 /nfs/dbraw/zinc/43/22/41/1418432241.db2.gz LLIDBGBZZGKKDM-UYAOXDASSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001713681214 1418433194 /nfs/dbraw/zinc/43/31/94/1418433194.db2.gz CKIMTAJDLXRQCN-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001714107621 1418908086 /nfs/dbraw/zinc/90/80/86/1418908086.db2.gz JSAMAEJOHZHNTH-QGZVFWFLSA-N 2 0 340.471 3.193 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)CC[N@@H+](C)CCC)CC2 ZINC001714365605 1419125851 /nfs/dbraw/zinc/12/58/51/1419125851.db2.gz JAGOFRPUORLVAK-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001714979357 1419714433 /nfs/dbraw/zinc/71/44/33/1419714433.db2.gz RNWGAFYCXUOLMY-RTBURBONSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001715156799 1419899364 /nfs/dbraw/zinc/89/93/64/1419899364.db2.gz UYVWKPXILQPPDN-ICSRJNTNSA-N 2 0 349.563 3.291 10 30 EGEERP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001715479350 1420157689 /nfs/dbraw/zinc/15/76/89/1420157689.db2.gz VYVXJOWOIVGNOX-FUHWJXTLSA-N 2 0 347.503 3.138 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001716798747 1420931881 /nfs/dbraw/zinc/93/18/81/1420931881.db2.gz DWBAAUZHVYYTIO-GOSISDBHSA-N 2 0 335.536 3.188 10 30 EGEERP C=CC[NH2+]C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CCCC1 ZINC001716818900 1420945143 /nfs/dbraw/zinc/94/51/43/1420945143.db2.gz NSGIMNJTVQAOSQ-GOSISDBHSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001717112750 1421116654 /nfs/dbraw/zinc/11/66/54/1421116654.db2.gz NHZFLJOEZYLNEM-HXUWFJFHSA-N 2 0 343.515 3.184 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001717202359 1421170585 /nfs/dbraw/zinc/17/05/85/1421170585.db2.gz RBFMKZXHZDZYHK-WOJBJXKFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001717446551 1421375895 /nfs/dbraw/zinc/37/58/95/1421375895.db2.gz FKJBZJHVRRLAMY-LMDPOFIKSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001717537324 1421475579 /nfs/dbraw/zinc/47/55/79/1421475579.db2.gz BSLMWJJMTXPHSE-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP CCCCCCC[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001717629135 1421538368 /nfs/dbraw/zinc/53/83/68/1421538368.db2.gz LERVASBEEQMYNF-UHFFFAOYSA-N 2 0 349.563 3.223 10 30 EGEERP C=CCCC[N@@H+](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001717706107 1421581842 /nfs/dbraw/zinc/58/18/42/1421581842.db2.gz RZZJXCIEOINHTL-UHFFFAOYSA-N 2 0 335.536 3.142 10 30 EGEERP C#CCN(C(=O)CC[N@@H+](C)CCC)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001724061658 1424643683 /nfs/dbraw/zinc/64/36/83/1424643683.db2.gz WMHFIMXIQRRRRJ-UHFFFAOYSA-N 2 0 349.563 3.081 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001724742894 1425109785 /nfs/dbraw/zinc/10/97/85/1425109785.db2.gz CTQCYYDJJSLZDB-QFBILLFUSA-N 2 0 329.488 3.014 10 30 EGEERP C=CCCCCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001725290681 1425934067 /nfs/dbraw/zinc/93/40/67/1425934067.db2.gz CZMLEORHUSIXAQ-SFHVURJKSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001725558663 1426223597 /nfs/dbraw/zinc/22/35/97/1426223597.db2.gz KGDSTRFRRCHILZ-MJGOQNOKSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001725583160 1426238353 /nfs/dbraw/zinc/23/83/53/1426238353.db2.gz LQRUKAHNAPONJP-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001725677889 1426364548 /nfs/dbraw/zinc/36/45/48/1426364548.db2.gz XOUZWIRVNXXJAI-IRXDYDNUSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001731470939 1427450401 /nfs/dbraw/zinc/45/04/01/1427450401.db2.gz MEYLMUOFSKNTAQ-WOJBJXKFSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001731541502 1427549157 /nfs/dbraw/zinc/54/91/57/1427549157.db2.gz CBVRRMSFRYREBX-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001731699477 1427750499 /nfs/dbraw/zinc/75/04/99/1427750499.db2.gz VSYXEOHNOQPNQB-WOJBJXKFSA-N 2 0 343.515 3.345 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001731835571 1428051239 /nfs/dbraw/zinc/05/12/39/1428051239.db2.gz SDYBBVVXKXNJDZ-PXNSSMCTSA-N 2 0 343.515 3.297 10 30 EGEERP C=CCCCCC[NH+]1CCC2(CN(C(=O)CCc3c[nH]cn3)C2)CC1 ZINC001733694148 1429911691 /nfs/dbraw/zinc/91/16/91/1429911691.db2.gz YGFNLOBGGHFEMG-UHFFFAOYSA-N 2 0 344.503 3.013 10 30 EGEERP C=C(C)C[N@@H+](C)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001734553722 1438152277 /nfs/dbraw/zinc/15/22/77/1438152277.db2.gz HKHLHIPFUXCALV-UHFFFAOYSA-N 2 0 331.504 3.107 10 30 EGEERP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001734611777 1438187108 /nfs/dbraw/zinc/18/71/08/1438187108.db2.gz LSYZNJWJDIGHCA-QGZVFWFLSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCCC[C@@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000091559879 454446042 /nfs/dbraw/zinc/44/60/42/454446042.db2.gz ZCDSVJSBBCCGJA-HXUWFJFHSA-N 2 0 329.532 3.481 10 30 EGEERP C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000177856164 454913671 /nfs/dbraw/zinc/91/36/71/454913671.db2.gz GJEYSESQZGSQET-OAHLLOKOSA-N 2 0 341.430 3.489 10 30 EGEERP C#CCOc1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000115623986 455024132 /nfs/dbraw/zinc/02/41/32/455024132.db2.gz DVADATAEEYRCFD-UHFFFAOYSA-N 2 0 326.415 3.189 10 30 EGEERP CN(CCC#N)c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000299304503 456652309 /nfs/dbraw/zinc/65/23/09/456652309.db2.gz BTSNFMVZRQXFMG-UHFFFAOYSA-N 2 0 326.488 3.143 10 30 EGEERP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2OC(F)F)[C@H](C)C1 ZINC000437903194 458509394 /nfs/dbraw/zinc/50/93/94/458509394.db2.gz JILRLGNRDBZEKZ-CJNGLKHVSA-N 2 0 337.414 3.322 10 30 EGEERP CC[NH2+]CC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000595890297 459477105 /nfs/dbraw/zinc/47/71/05/459477105.db2.gz FWXXVBCQEKDVHB-UHFFFAOYSA-N 2 0 325.378 3.399 10 30 EGEERP C=CCc1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc(OC)c1O ZINC000656786291 461896991 /nfs/dbraw/zinc/89/69/91/461896991.db2.gz RXUCEBDEPYCTAH-LJQANCHMSA-N 2 0 344.499 3.341 10 30 EGEERP C=CCN1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886524420 1303486926 /nfs/dbraw/zinc/48/69/26/1303486926.db2.gz KKFZWLXKEBZULG-NNWRFLSQSA-N 2 0 339.527 3.280 10 30 EGEERP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886628439 1303531271 /nfs/dbraw/zinc/53/12/71/1303531271.db2.gz QORAQPMPUJLGRA-SXYSDOLCSA-N 2 0 326.484 3.220 10 30 EGEERP C#CC[C@@H](CCOC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000895415477 1309328550 /nfs/dbraw/zinc/32/85/50/1309328550.db2.gz NCUFZXHVNGBRLU-BURNTYAHSA-N 2 0 326.484 3.058 10 30 EGEERP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000929841107 1328717197 /nfs/dbraw/zinc/71/71/97/1328717197.db2.gz KGWLWWRCBWXFMM-KRWDZBQOSA-N 2 0 326.488 3.430 10 30 EGEERP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000922240028 1322485747 /nfs/dbraw/zinc/48/57/47/1322485747.db2.gz LYVDHCGGXSFIFZ-OAQYLSRUSA-N 2 0 349.478 3.032 10 30 EGEERP C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866616933 1330133633 /nfs/dbraw/zinc/13/36/33/1330133633.db2.gz CSTCZCNHYNVFII-IERDGZPVSA-N 2 0 349.478 3.317 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076270 1331321837 /nfs/dbraw/zinc/32/18/37/1331321837.db2.gz VCGCCUWWUACIOB-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001324098107 1387540861 /nfs/dbraw/zinc/54/08/61/1387540861.db2.gz PIXLXLUKMQTYCD-IAGOWNOFSA-N 2 0 347.503 3.280 10 30 EGEERP C=CCCCCC[NH+]1CCC(C)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001324340367 1387598941 /nfs/dbraw/zinc/59/89/41/1387598941.db2.gz TTXRZVSGFDZUKR-UHFFFAOYSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1OC ZINC001119988946 1371443659 /nfs/dbraw/zinc/44/36/59/1371443659.db2.gz MDMKGWCAKASLBR-IPMKNSEASA-N 2 0 344.499 3.422 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001326490689 1388214898 /nfs/dbraw/zinc/21/48/98/1388214898.db2.gz SQAWOGMWKNJANC-HKUYNNGSSA-N 2 0 343.515 3.261 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001326559012 1388239470 /nfs/dbraw/zinc/23/94/70/1388239470.db2.gz QKQKZBUZKPKZHS-IRJFHVNHSA-N 2 0 343.515 3.203 10 30 EGEERP CCCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001326713945 1388288087 /nfs/dbraw/zinc/28/80/87/1388288087.db2.gz PDXIHDAIKLBGHG-UXHICEINSA-N 2 0 349.563 3.269 10 30 EGEERP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001327307735 1388493816 /nfs/dbraw/zinc/49/38/16/1388493816.db2.gz GQVORNVHIBFROL-PMACEKPBSA-N 2 0 349.563 3.388 10 30 EGEERP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001273783001 1378111313 /nfs/dbraw/zinc/11/13/13/1378111313.db2.gz RWUGHDOTXITSGN-IBGZPJMESA-N 2 0 347.547 3.330 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001283629147 1379065023 /nfs/dbraw/zinc/06/50/23/1379065023.db2.gz FZIJVKLCUPTQNL-LSDHHAIUSA-N 2 0 328.460 3.048 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001328268160 1388706405 /nfs/dbraw/zinc/70/64/05/1388706405.db2.gz RYRKRFBQSRKZBP-ROUUACIJSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001318959598 1385897794 /nfs/dbraw/zinc/89/77/94/1385897794.db2.gz UBYRTDQIYOTUFS-MKXGPGLRSA-N 2 0 335.536 3.233 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001319651953 1386234333 /nfs/dbraw/zinc/23/43/33/1386234333.db2.gz SGPPBQHNFVKXIA-RBUKOAKNSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001332013087 1389945829 /nfs/dbraw/zinc/94/58/29/1389945829.db2.gz HTSTWXVGPLEVNL-QZTJIDSGSA-N 2 0 335.536 3.186 10 30 EGEERP CCCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001332940232 1390220632 /nfs/dbraw/zinc/22/06/32/1390220632.db2.gz KOESZNLHVROIOT-MJGOQNOKSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC001344582683 1390800868 /nfs/dbraw/zinc/80/08/68/1390800868.db2.gz BPLOVARPZCSQSL-OAHLLOKOSA-N 2 0 343.393 3.389 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001479612479 1392287689 /nfs/dbraw/zinc/28/76/89/1392287689.db2.gz JRCNYLSKDYFLNL-HOJAQTOUSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001479689128 1392320560 /nfs/dbraw/zinc/32/05/60/1392320560.db2.gz XZBQZLGCYBFAJO-QUCCMNQESA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001479745469 1392361315 /nfs/dbraw/zinc/36/13/15/1392361315.db2.gz LGTQJLXBWHCQCI-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001479995275 1392526793 /nfs/dbraw/zinc/52/67/93/1392526793.db2.gz JRXHXKONSGWQDJ-AZUAARDMSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001480254539 1392639915 /nfs/dbraw/zinc/63/99/15/1392639915.db2.gz DHQNWHMFHMBNNE-UYAOXDASSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001698901896 1406635168 /nfs/dbraw/zinc/63/51/68/1406635168.db2.gz YMWCQVLPCLXLNM-BEFAXECRSA-N 2 0 340.471 3.049 10 30 EGEERP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001490419055 1394220400 /nfs/dbraw/zinc/22/04/00/1394220400.db2.gz YNTCSNCTLNSBTO-GOSISDBHSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001490617185 1394284752 /nfs/dbraw/zinc/28/47/52/1394284752.db2.gz OICRQWMLMSXHKC-LJQANCHMSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001481434818 1394290569 /nfs/dbraw/zinc/29/05/69/1394290569.db2.gz FGXVVPBQCPYYBG-ICSRJNTNSA-N 2 0 347.547 3.188 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001481678427 1394444617 /nfs/dbraw/zinc/44/46/17/1394444617.db2.gz TVFRYDJGMOARHK-AABGKKOBSA-N 2 0 349.563 3.364 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001482453444 1395011961 /nfs/dbraw/zinc/01/19/61/1395011961.db2.gz BGLSAESLLWHTAC-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001482495637 1395047522 /nfs/dbraw/zinc/04/75/22/1395047522.db2.gz RWESNYXWRVMSRO-IEBWSBKVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH+]1CCC(C)(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001484147293 1395283446 /nfs/dbraw/zinc/28/34/46/1395283446.db2.gz PBHDZQGWPJNFEO-UHFFFAOYSA-N 2 0 343.515 3.156 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001484163892 1395299472 /nfs/dbraw/zinc/29/94/72/1395299472.db2.gz PSEZIHWZGGGRDE-UYAOXDASSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001698988433 1406774233 /nfs/dbraw/zinc/77/42/33/1406774233.db2.gz BFOBUELRCSUXPE-IEBWSBKVSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001493832094 1396343548 /nfs/dbraw/zinc/34/35/48/1396343548.db2.gz WVCJZTFULLAFFQ-IRXDYDNUSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001496396644 1396687143 /nfs/dbraw/zinc/68/71/43/1396687143.db2.gz RKMDZGPPLMYNMF-GBESFXJTSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1CC ZINC001689178436 1396959731 /nfs/dbraw/zinc/95/97/31/1396959731.db2.gz FLEUFSMARHUVTQ-ZWKOTPCHSA-N 2 0 335.536 3.185 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001690719864 1404697069 /nfs/dbraw/zinc/69/70/69/1404697069.db2.gz WRZFCZRTAHELFY-RDJZCZTQSA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001691048176 1404961560 /nfs/dbraw/zinc/96/15/60/1404961560.db2.gz NBRGOIKMNDZGFI-GOSISDBHSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001691271481 1405185788 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EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001700361301 1413875101 /nfs/dbraw/zinc/87/51/01/1413875101.db2.gz BJGCGXXLYQDBDA-ICSRJNTNSA-N 2 0 349.563 3.243 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001700566491 1414234382 /nfs/dbraw/zinc/23/43/82/1414234382.db2.gz DVBXDGAHGXSJLQ-QGZVFWFLSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001700693952 1414347240 /nfs/dbraw/zinc/34/72/40/1414347240.db2.gz OHZUTZNBKHIWGX-HXUWFJFHSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001700725201 1414386521 /nfs/dbraw/zinc/38/65/21/1414386521.db2.gz SDADPJVFUPQFNF-IEBWSBKVSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001707449341 1417353441 /nfs/dbraw/zinc/35/34/41/1417353441.db2.gz VZHUQNQLPDXBFC-IEBWSBKVSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001712966380 1417519830 /nfs/dbraw/zinc/51/98/30/1417519830.db2.gz CGBJGDPUBOZRBN-IBGZPJMESA-N 2 0 335.536 3.188 10 30 EGEERP CCCCCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001713052713 1417605178 /nfs/dbraw/zinc/60/51/78/1417605178.db2.gz IJZLQJRYAWHKMS-LJQANCHMSA-N 2 0 337.552 3.364 10 30 EGEERP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001713259475 1417867604 /nfs/dbraw/zinc/86/76/04/1417867604.db2.gz UFJYHHMWRPAVRZ-VQTJNVASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001713766454 1418580366 /nfs/dbraw/zinc/58/03/66/1418580366.db2.gz AFHQISKCSDPYKT-UXHICEINSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001714067788 1418863984 /nfs/dbraw/zinc/86/39/84/1418863984.db2.gz SFUZILRBZBVXEO-RTBURBONSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[NH2+]C[C@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@H]1C ZINC001714188850 1418995705 /nfs/dbraw/zinc/99/57/05/1418995705.db2.gz ONBVJJPFLVCBOW-TZIWHRDSSA-N 2 0 349.563 3.339 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001714307531 1419087755 /nfs/dbraw/zinc/08/77/55/1419087755.db2.gz IBPDFCGDFIHNEG-KZNAEPCWSA-N 2 0 337.552 3.336 10 30 EGEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001714510180 1419237619 /nfs/dbraw/zinc/23/76/19/1419237619.db2.gz UGNOQHIFPUAXKV-ZWKOTPCHSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001714627197 1419398097 /nfs/dbraw/zinc/39/80/97/1419398097.db2.gz YYLCUMIOVVJNNY-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001714803144 1419516801 /nfs/dbraw/zinc/51/68/01/1419516801.db2.gz KQXPBTDSTTVTMP-PKOBYXMFSA-N 2 0 347.547 3.044 10 30 EGEERP C=CC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CCCCC1 ZINC001714976656 1419711041 /nfs/dbraw/zinc/71/10/41/1419711041.db2.gz LEMXTMXAYCWYFW-IBGZPJMESA-N 2 0 349.563 3.339 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CCCCC1 ZINC001714999041 1419730087 /nfs/dbraw/zinc/73/00/87/1419730087.db2.gz RPOAVDOFRBIPPC-RBUKOAKNSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001715156800 1419899234 /nfs/dbraw/zinc/89/92/34/1419899234.db2.gz UYVWKPXILQPPDN-QUCCMNQESA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001715237517 1419967964 /nfs/dbraw/zinc/96/79/64/1419967964.db2.gz VKXUIRKVYWCYFZ-LJQANCHMSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001715478511 1420157172 /nfs/dbraw/zinc/15/71/72/1420157172.db2.gz XLSLPXPCHPBCRD-HXUWFJFHSA-N 2 0 349.563 3.245 10 30 EGEERP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001715484293 1420164023 /nfs/dbraw/zinc/16/40/23/1420164023.db2.gz GICLPUVTCAJZMB-PMACEKPBSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001733271199 1429433685 /nfs/dbraw/zinc/43/36/85/1429433685.db2.gz OQQWIAWKZOXORQ-OLPBJYBYSA-N 2 0 347.547 3.185 10 30 EGEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001733272901 1429435509 /nfs/dbraw/zinc/43/55/09/1429435509.db2.gz VUZWDPHFHNUSFB-RAFMOHDBSA-N 2 0 347.547 3.327 10 30 EGEERP C=CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CCCCCC1 ZINC001716713867 1420867743 /nfs/dbraw/zinc/86/77/43/1420867743.db2.gz PRCWXKIIGRRCPK-FQEVSTJZSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH+]1CCC(C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001716883844 1421007803 /nfs/dbraw/zinc/00/78/03/1421007803.db2.gz KOFFNZLOPJPAHP-UHFFFAOYSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001716888052 1421011500 /nfs/dbraw/zinc/01/15/00/1421011500.db2.gz JUHSHZLDDVKMTR-OALUTQOASA-N 2 0 347.547 3.188 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001717036603 1421090347 /nfs/dbraw/zinc/09/03/47/1421090347.db2.gz GBBZHFWBWULJMQ-VAMGGRTRSA-N 2 0 349.563 3.364 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CCC)cc1 ZINC001717115468 1421119369 /nfs/dbraw/zinc/11/93/69/1421119369.db2.gz MJZHSIAVQRZVOK-PXNSSMCTSA-N 2 0 343.515 3.404 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001717128019 1421129406 /nfs/dbraw/zinc/12/94/06/1421129406.db2.gz LQTHDADXLPTJFI-MOPGFXCFSA-N 2 0 347.547 3.140 10 30 EGEERP CCCCCCC[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001717128682 1421129774 /nfs/dbraw/zinc/12/97/74/1421129774.db2.gz IWEYMSXNPZLIQJ-UHFFFAOYSA-N 2 0 349.563 3.223 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001717338947 1421276887 /nfs/dbraw/zinc/27/68/87/1421276887.db2.gz GKSGGTLFMXEJHW-XLIONFOSSA-N 2 0 343.515 3.297 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001717796375 1421627035 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349.906 3.013 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001733539353 1429745006 /nfs/dbraw/zinc/74/50/06/1429745006.db2.gz XHAVFBGPYDATMA-RTBURBONSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001724306921 1424789225 /nfs/dbraw/zinc/78/92/25/1424789225.db2.gz OXRIXIJNRISKJV-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001724652451 1425013151 /nfs/dbraw/zinc/01/31/51/1425013151.db2.gz FPYDAUDSYSAKJR-RTBURBONSA-N 2 0 349.563 3.364 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@@H]1C ZINC001724991860 1425395066 /nfs/dbraw/zinc/39/50/66/1425395066.db2.gz IRLUOLUBHYYWAY-DLBZAZTESA-N 2 0 335.536 3.185 10 30 EGEERP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001725046356 1425476787 /nfs/dbraw/zinc/47/67/87/1425476787.db2.gz ZQFQADRXEKMXNG-GOSISDBHSA-N 2 0 335.536 3.138 10 30 EGEERP 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C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1C ZINC000662293117 461169306 /nfs/dbraw/zinc/16/93/06/461169306.db2.gz JXFYGGWOHOMNTF-LJQANCHMSA-N 2 0 343.515 3.185 10 30 EGEERP C=CC[C@]1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCC[NH2+]1 ZINC000662682600 461345481 /nfs/dbraw/zinc/34/54/81/461345481.db2.gz KJBQSJOOOTUTBJ-HXUWFJFHSA-N 2 0 327.472 3.309 10 30 EGEERP C=CCC[C@H](Cc1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000883185752 1302293364 /nfs/dbraw/zinc/29/33/64/1302293364.db2.gz DIVFFMPJPCPZRI-OAQYLSRUSA-N 2 0 329.532 3.181 10 30 EGEERP C#Cc1ccc(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000883342556 1302400202 /nfs/dbraw/zinc/40/02/02/1302400202.db2.gz CLCDOEONRCNOGT-UHFFFAOYSA-N 2 0 348.490 3.175 10 30 EGEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000899968784 1317209567 /nfs/dbraw/zinc/20/95/67/1317209567.db2.gz HZMLCLQTJKVNPE-SFHVURJKSA-N 2 0 349.906 3.101 10 30 EGEERP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccc1OC ZINC000925620479 1325235458 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C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001284702417 1380117630 /nfs/dbraw/zinc/11/76/30/1380117630.db2.gz OESQDTYAVATBSM-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001284719519 1380138558 /nfs/dbraw/zinc/13/85/58/1380138558.db2.gz PHSZCPGLBWSUGB-SJORKVTESA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001328265672 1388703069 /nfs/dbraw/zinc/70/30/69/1388703069.db2.gz CLAHHDNMIZMOEO-ZWKOTPCHSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001328268159 1388706779 /nfs/dbraw/zinc/70/67/79/1388706779.db2.gz RYRKRFBQSRKZBP-QZTJIDSGSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC001328503469 1388765786 /nfs/dbraw/zinc/76/57/86/1388765786.db2.gz OLRGNYJIKYYCGU-UHFFFAOYSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 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EGEERP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001691632655 1405370065 /nfs/dbraw/zinc/37/00/65/1405370065.db2.gz NHDPQDPYCARYEK-VQTJNVASSA-N 2 0 343.515 3.226 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691733438 1405456191 /nfs/dbraw/zinc/45/61/91/1405456191.db2.gz QHMAENDHHIXWOK-UYAOXDASSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001691818465 1405533101 /nfs/dbraw/zinc/53/31/01/1405533101.db2.gz CWVKVVFYKZUPAQ-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001698573709 1406180672 /nfs/dbraw/zinc/18/06/72/1406180672.db2.gz BVQMYRFTJWOTAK-MOPGFXCFSA-N 2 0 337.552 3.364 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001698582448 1406195159 /nfs/dbraw/zinc/19/51/59/1406195159.db2.gz RFUHFGKTRGLZGT-PMACEKPBSA-N 2 0 349.563 3.221 10 30 EGEERP 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335.536 3.045 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713720087 1418491819 /nfs/dbraw/zinc/49/18/19/1418491819.db2.gz NUDJMCIULBWVKZ-OALUTQOASA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@@H]1C ZINC001714188848 1418995497 /nfs/dbraw/zinc/99/54/97/1418995497.db2.gz ONBVJJPFLVCBOW-FPOVZHCZSA-N 2 0 349.563 3.339 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001714266575 1419047883 /nfs/dbraw/zinc/04/78/83/1419047883.db2.gz ZGGCCXOKUPKSBB-LJQANCHMSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001714356785 1419120739 /nfs/dbraw/zinc/12/07/39/1419120739.db2.gz GJCMPWLCBKPCRD-RBUKOAKNSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001714632792 1419404035 /nfs/dbraw/zinc/40/40/35/1419404035.db2.gz BSAJVMVFYCFYHE-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001714834896 1419546979 /nfs/dbraw/zinc/54/69/79/1419546979.db2.gz DKVZZCMTDDEYBL-IBGZPJMESA-N 2 0 343.515 3.274 10 30 EGEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001714914869 1419664303 /nfs/dbraw/zinc/66/43/03/1419664303.db2.gz ZQAKHIXCVPVFSX-UXHICEINSA-N 2 0 349.563 3.243 10 30 EGEERP C=CC[NH2+]CCC1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001715176611 1419912206 /nfs/dbraw/zinc/91/22/06/1419912206.db2.gz QZBOVDFVFWOFEH-HXUWFJFHSA-N 2 0 343.515 3.084 10 30 EGEERP C=CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001715473013 1420152064 /nfs/dbraw/zinc/15/20/64/1420152064.db2.gz KRYZPXKWOPQAEZ-MSOLQXFVSA-N 2 0 337.552 3.147 10 30 EGEERP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001715485929 1420167046 /nfs/dbraw/zinc/16/70/46/1420167046.db2.gz ZOOZPWULABARED-UHFFFAOYSA-N 2 0 349.563 3.243 10 30 EGEERP C=CC[NH+]1CCC[C@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001716725025 1420883447 /nfs/dbraw/zinc/88/34/47/1420883447.db2.gz QXGMLWWEFBJCBQ-NRFANRHFSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001716769539 1420914285 /nfs/dbraw/zinc/91/42/85/1420914285.db2.gz PXIKQBMKMIIHJF-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001716771050 1420914777 /nfs/dbraw/zinc/91/47/77/1420914777.db2.gz QSDOKSINIRXSLO-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716777394 1420917510 /nfs/dbraw/zinc/91/75/10/1420917510.db2.gz JUDTWVOBLHWXRO-QUCCMNQESA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001716830867 1420958527 /nfs/dbraw/zinc/95/85/27/1420958527.db2.gz YOVRKHGDIMVRFL-CTNGQTDRSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001716966204 1421055072 /nfs/dbraw/zinc/05/50/72/1421055072.db2.gz NXMBTELJOGBRIK-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001716996137 1421065529 /nfs/dbraw/zinc/06/55/29/1421065529.db2.gz JFUCSRWGSJUVDR-YRPNKDGESA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001717202330 1421170493 /nfs/dbraw/zinc/17/04/93/1421170493.db2.gz QQQOEKLYEQMHKF-FQEVSTJZSA-N 2 0 343.515 3.299 10 30 EGEERP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001717241789 1421210474 /nfs/dbraw/zinc/21/04/74/1421210474.db2.gz ZLCCSDLOCQKNIJ-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001717246503 1421217486 /nfs/dbraw/zinc/21/74/86/1421217486.db2.gz NMJILLPFJWIIGU-RXVVDRJESA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001717301679 1421243576 /nfs/dbraw/zinc/24/35/76/1421243576.db2.gz ABVZZQWQZBTZKR-GOSISDBHSA-N 2 0 335.536 3.188 10 30 EGEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCC1 ZINC001733380280 1429564146 /nfs/dbraw/zinc/56/41/46/1429564146.db2.gz OEZSYGLEPABLBO-ICSRJNTNSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001733419368 1429625270 /nfs/dbraw/zinc/62/52/70/1429625270.db2.gz VQOIPQHITGOCPG-UTKZUKDTSA-N 2 0 343.515 3.297 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001733538558 1429744598 /nfs/dbraw/zinc/74/45/98/1429744598.db2.gz UWPXDEWFNMQKNV-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001724294569 1424778932 /nfs/dbraw/zinc/77/89/32/1424778932.db2.gz QIWBBPCSONJHTL-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001724322433 1424807614 /nfs/dbraw/zinc/80/76/14/1424807614.db2.gz DGCUYHCYPHKUJJ-FQEVSTJZSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001724737708 1425096061 /nfs/dbraw/zinc/09/60/61/1425096061.db2.gz RSQQFEOROQESOT-YLJYHZDGSA-N 2 0 343.515 3.041 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001724742767 1425110317 /nfs/dbraw/zinc/11/03/17/1425110317.db2.gz FNXLZTCSQFGEFB-JCNLHEQBSA-N 2 0 349.544 3.264 10 30 EGEERP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001724965343 1425356476 /nfs/dbraw/zinc/35/64/76/1425356476.db2.gz HCKSEYKBHHLMLU-IBGZPJMESA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001725025815 1425444472 /nfs/dbraw/zinc/44/44/72/1425444472.db2.gz JHEOTPLVJYYPQQ-FQEVSTJZSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001725423810 1426079572 /nfs/dbraw/zinc/07/95/72/1426079572.db2.gz XHXGYYLIJIHEFI-UHFFFAOYSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001725762062 1426443264 /nfs/dbraw/zinc/44/32/64/1426443264.db2.gz KGQLTQNNRZAMHG-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001731415175 1427385036 /nfs/dbraw/zinc/38/50/36/1427385036.db2.gz GZVRTESHVOJEJD-LJQANCHMSA-N 2 0 349.563 3.245 10 30 EGEERP CCCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001731536970 1427535906 /nfs/dbraw/zinc/53/59/06/1427535906.db2.gz PLYSLWZMUVJILC-VQTJNVASSA-N 2 0 349.563 3.269 10 30 EGEERP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001731699476 1427750820 /nfs/dbraw/zinc/75/08/20/1427750820.db2.gz VSYXEOHNOQPNQB-VQTJNVASSA-N 2 0 343.515 3.345 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001733941789 1437758036 /nfs/dbraw/zinc/75/80/36/1437758036.db2.gz QBGBQRJLVMDIRJ-HXUWFJFHSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001734032796 1437820779 /nfs/dbraw/zinc/82/07/79/1437820779.db2.gz AXOHTHNSNQSDRV-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001734117229 1437899118 /nfs/dbraw/zinc/89/91/18/1437899118.db2.gz PXPMGOZQOIKWCI-IAGOWNOFSA-N 2 0 349.563 3.431 10 30 EGEERP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001734146204 1437914513 /nfs/dbraw/zinc/91/45/13/1437914513.db2.gz OZXOYWFKBZFOKI-RBUKOAKNSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001734147820 1437915804 /nfs/dbraw/zinc/91/58/04/1437915804.db2.gz JSGAVXNXKOXARO-GOSISDBHSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001734195934 1437936948 /nfs/dbraw/zinc/93/69/48/1437936948.db2.gz PRTGDODAXVRIMI-OALUTQOASA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC001734498619 1438133778 /nfs/dbraw/zinc/13/37/78/1438133778.db2.gz ZTARWLBQBTVADM-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358437167 296122364 /nfs/dbraw/zinc/12/23/64/296122364.db2.gz FCOZGADXCQSELV-BZUAXINKSA-N 2 0 333.451 3.237 10 30 EGEERP CCOCCC[N@@H+]1CC[C@@H](NCC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000469770360 458589375 /nfs/dbraw/zinc/58/93/75/458589375.db2.gz UOEMWDLNSJEMLS-FXAWDEMLSA-N 2 0 348.918 3.418 10 30 EGEERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(C#N)cc1 ZINC000594710509 459135946 /nfs/dbraw/zinc/13/59/46/459135946.db2.gz LNXSSSZXHMGCOC-INIZCTEOSA-N 2 0 327.472 3.100 10 30 EGEERP C[N@@H+](Cc1ccc(Br)cc1C#N)CC1CC[NH+](C)CC1 ZINC000312844776 1297117621 /nfs/dbraw/zinc/11/76/21/1297117621.db2.gz WSLPQCWJAVDYPY-UHFFFAOYSA-N 2 0 336.277 3.094 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000876740940 1298952462 /nfs/dbraw/zinc/95/24/62/1298952462.db2.gz QVPLSCKPRDNDMJ-QGZVFWFLSA-N 2 0 335.879 3.471 10 30 EGEERP C#CCCCCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000878174526 1299796116 /nfs/dbraw/zinc/79/61/16/1299796116.db2.gz QIIMQFSXWAVUDU-UHFFFAOYSA-N 2 0 333.564 3.308 10 30 EGEERP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1Cc2ccccc2O1 ZINC000883171663 1302282688 /nfs/dbraw/zinc/28/26/88/1302282688.db2.gz FDALPAONBOWTTQ-LKUPVBHCSA-N 2 0 326.484 3.399 10 30 EGEERP C=CCC[C@H](COc1ccccc1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000883169739 1302283106 /nfs/dbraw/zinc/28/31/06/1302283106.db2.gz BONVNOCCTBRYRW-LJQANCHMSA-N 2 0 345.531 3.016 10 30 EGEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075492 1331321723 /nfs/dbraw/zinc/32/17/23/1331321723.db2.gz NCBHYBTULKTYBI-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1CC ZINC001323150191 1387303175 /nfs/dbraw/zinc/30/31/75/1387303175.db2.gz QAVMECPTANROHD-PKOBYXMFSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001323816308 1387467162 /nfs/dbraw/zinc/46/71/62/1387467162.db2.gz NOESBWJNBPQXQP-TZIWHRDSSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001323817104 1387467457 /nfs/dbraw/zinc/46/74/57/1387467457.db2.gz WTFMQEAHSAAOEI-PZJWPPBQSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001324974487 1387863189 /nfs/dbraw/zinc/86/31/89/1387863189.db2.gz ABNYOUZDHMJUJH-TZIWHRDSSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C2 ZINC001325630934 1388016769 /nfs/dbraw/zinc/01/67/69/1388016769.db2.gz YRWWEFNBIGZOLB-ACDBMABISA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001327127921 1388391978 /nfs/dbraw/zinc/39/19/78/1388391978.db2.gz ZBDSHEKWUOEDEB-PMACEKPBSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001268161477 1377489851 /nfs/dbraw/zinc/48/98/51/1377489851.db2.gz BVLCEXRPGSZIPG-HXUWFJFHSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001269812603 1377575362 /nfs/dbraw/zinc/57/53/62/1377575362.db2.gz MLHLRDIYZYXBFE-INIZCTEOSA-N 2 0 335.536 3.137 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001269812604 1377575729 /nfs/dbraw/zinc/57/57/29/1377575729.db2.gz MLHLRDIYZYXBFE-MRXNPFEDSA-N 2 0 335.536 3.137 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001271584984 1377641075 /nfs/dbraw/zinc/64/10/75/1377641075.db2.gz DQZCKPQTGJIDLU-UYAOXDASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001271584982 1377641078 /nfs/dbraw/zinc/64/10/78/1377641078.db2.gz DQZCKPQTGJIDLU-ICSRJNTNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001283629145 1379064360 /nfs/dbraw/zinc/06/43/60/1379064360.db2.gz FZIJVKLCUPTQNL-GJZGRUSLSA-N 2 0 328.460 3.048 10 30 EGEERP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001284058357 1379410313 /nfs/dbraw/zinc/41/03/13/1379410313.db2.gz QJGSWDYCGIHRFO-ANTGDGSKSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001284127821 1379503568 /nfs/dbraw/zinc/50/35/68/1379503568.db2.gz FQYAKYRMAFXENB-AEFFLSMTSA-N 2 0 335.536 3.185 10 30 EGEERP CCCCCCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001284293836 1379682783 /nfs/dbraw/zinc/68/27/83/1379682783.db2.gz SHTYFEOELAPMCA-SFHVURJKSA-N 2 0 349.563 3.412 10 30 EGEERP C=CCCC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001328083524 1388666359 /nfs/dbraw/zinc/66/63/59/1388666359.db2.gz VMQCKCDUFGZEPD-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001316774004 1384572715 /nfs/dbraw/zinc/57/27/15/1384572715.db2.gz SCWFZFQKFQYZCH-PMACEKPBSA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317050670 1384827278 /nfs/dbraw/zinc/82/72/78/1384827278.db2.gz LCRSLOPVGROYDZ-LWYYNNOASA-N 2 0 349.563 3.362 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317955108 1385585416 /nfs/dbraw/zinc/58/54/16/1385585416.db2.gz DVZPIUKTKAYHNT-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001318853802 1385862966 /nfs/dbraw/zinc/86/29/66/1385862966.db2.gz FJKNNYOHFVUVKZ-SFHVURJKSA-N 2 0 343.515 3.156 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001318906571 1385877608 /nfs/dbraw/zinc/87/76/08/1385877608.db2.gz BVJZNOYPQIHMSX-MJGOQNOKSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001318918891 1385882410 /nfs/dbraw/zinc/88/24/10/1385882410.db2.gz ZNKUCKINENGKQF-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH+]1CCC(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001319020425 1385930080 /nfs/dbraw/zinc/93/00/80/1385930080.db2.gz ABNGJBXCSPELFA-UHFFFAOYSA-N 2 0 349.544 3.218 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001319144517 1385977883 /nfs/dbraw/zinc/97/78/83/1385977883.db2.gz HSUPETZOSUFILP-RTBURBONSA-N 2 0 349.563 3.242 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001319709006 1386262648 /nfs/dbraw/zinc/26/26/48/1386262648.db2.gz NZNWTOXKJHTQOK-XLIONFOSSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001319881864 1386357988 /nfs/dbraw/zinc/35/79/88/1386357988.db2.gz UWSNPYQZICDQNA-FQEVSTJZSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)C[NH+]1CCC(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001698725987 1406375920 /nfs/dbraw/zinc/37/59/20/1406375920.db2.gz HUXHPFCMTLPKSG-UHFFFAOYSA-N 2 0 343.515 3.156 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001332821967 1390193530 /nfs/dbraw/zinc/19/35/30/1390193530.db2.gz BOVFVIXCPXQPSV-DLBZAZTESA-N 2 0 335.536 3.090 10 30 EGEERP CCCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001698805133 1406485303 /nfs/dbraw/zinc/48/53/03/1406485303.db2.gz RZAVCNIOYLJYER-GOSISDBHSA-N 2 0 337.552 3.221 10 30 EGEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001698807343 1406490358 /nfs/dbraw/zinc/49/03/58/1406490358.db2.gz ZNWDNDKDVCPPLK-QZTJIDSGSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001480138656 1392598657 /nfs/dbraw/zinc/59/86/57/1392598657.db2.gz KUJMRUKMZWSMOH-NCXUSEDFSA-N 2 0 347.547 3.233 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001480403536 1392742155 /nfs/dbraw/zinc/74/21/55/1392742155.db2.gz QIZJOELBDXMXMS-QLOJAFMTSA-N 2 0 347.547 3.377 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001698894507 1406626808 /nfs/dbraw/zinc/62/68/08/1406626808.db2.gz WVHFEIKFXVFQEW-IEBWSBKVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001482016848 1394673914 /nfs/dbraw/zinc/67/39/14/1394673914.db2.gz OAAXKYUDSXFWMG-QWFCFKBJSA-N 2 0 347.547 3.377 10 30 EGEERP C=CCCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001482043793 1394705224 /nfs/dbraw/zinc/70/52/24/1394705224.db2.gz WYBXUANQPNKQMW-IBGZPJMESA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001482423057 1394984633 /nfs/dbraw/zinc/98/46/33/1394984633.db2.gz IHWFTMFFMYWGPC-HKUYNNGSSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001484122263 1395264570 /nfs/dbraw/zinc/26/45/70/1395264570.db2.gz QOKZLFQXALCFKQ-TZIWHRDSSA-N 2 0 343.515 3.084 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001484164410 1395299492 /nfs/dbraw/zinc/29/94/92/1395299492.db2.gz WSUBLIZLNOQSOP-FPOVZHCZSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001689365852 1403706734 /nfs/dbraw/zinc/70/67/34/1403706734.db2.gz PWEGHKXBKUCLID-INIZCTEOSA-N 2 0 343.943 3.078 10 30 EGEERP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001690125986 1404318802 /nfs/dbraw/zinc/31/88/02/1404318802.db2.gz KPEAZGYFHJRWLH-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001690205726 1404414232 /nfs/dbraw/zinc/41/42/32/1404414232.db2.gz VMIWAUGJWDEWNB-ZGXWSNOMSA-N 2 0 349.563 3.362 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001691823691 1405540192 /nfs/dbraw/zinc/54/01/92/1405540192.db2.gz VKDDVFIPXUOOQE-GOSISDBHSA-N 2 0 337.552 3.291 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001691904969 1405628192 /nfs/dbraw/zinc/62/81/92/1405628192.db2.gz LSYUNSOLUUPJBB-QUCCMNQESA-N 2 0 347.547 3.188 10 30 EGEERP C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001692012777 1405732314 /nfs/dbraw/zinc/73/23/14/1405732314.db2.gz KYVRDCOTLRUUSM-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001692014426 1405734765 /nfs/dbraw/zinc/73/47/65/1405734765.db2.gz WGQVTQTVEIZGNM-PMACEKPBSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001692023112 1405742234 /nfs/dbraw/zinc/74/22/34/1405742234.db2.gz OGLOEVRCCGFFOV-HXUWFJFHSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001692030438 1405747264 /nfs/dbraw/zinc/74/72/64/1405747264.db2.gz RBTFHQZULASKLP-HXUWFJFHSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001692085618 1405765787 /nfs/dbraw/zinc/76/57/87/1405765787.db2.gz BYUVPHWXPSLRRO-HYVNUMGLSA-N 2 0 343.943 3.076 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001692276307 1405910284 /nfs/dbraw/zinc/91/02/84/1405910284.db2.gz YJTKNUXYIBQKQU-QZTJIDSGSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001732038774 1428263526 /nfs/dbraw/zinc/26/35/26/1428263526.db2.gz LBBNHBGMSLTKFN-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001732075987 1428327352 /nfs/dbraw/zinc/32/73/52/1428327352.db2.gz MLWHHCXXZADGMB-LJQANCHMSA-N 2 0 349.563 3.245 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001732288348 1428515316 /nfs/dbraw/zinc/51/53/16/1428515316.db2.gz MHYLNSNPTYNHBG-WOJBJXKFSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001732289451 1428516017 /nfs/dbraw/zinc/51/60/17/1428516017.db2.gz WDBBJQOCMHFJAE-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC001732476689 1428602687 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ZGZMVRMKXJKJNN-TZIWHRDSSA-N 2 0 349.563 3.291 10 30 EGEERP 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 1413428349 /nfs/dbraw/zinc/42/83/49/1413428349.db2.gz ZTKLVAGGBKBJCU-SOIMTFEMSA-N 2 0 349.563 3.338 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001700196328 1413637742 /nfs/dbraw/zinc/63/77/42/1413637742.db2.gz DEGNNARUFSXHEI-UXHICEINSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001700359665 1413869104 /nfs/dbraw/zinc/86/91/04/1413869104.db2.gz RSBQMZWZIVRFBB-MSOLQXFVSA-N 2 0 337.552 3.242 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001700361303 1413874385 /nfs/dbraw/zinc/87/43/85/1413874385.db2.gz BJGCGXXLYQDBDA-UYAOXDASSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001700443249 1414016228 /nfs/dbraw/zinc/01/62/28/1414016228.db2.gz YQRHCVHZAFXVNS-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001700576422 1414251454 /nfs/dbraw/zinc/25/14/54/1414251454.db2.gz NVOVRYVOMZGFCD-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001700823909 1414480082 /nfs/dbraw/zinc/48/00/82/1414480082.db2.gz RXEHKLNUOKGFMJ-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001707244066 1417263139 /nfs/dbraw/zinc/26/31/39/1417263139.db2.gz IJTIAAWCTQACOH-LJQANCHMSA-N 2 0 335.536 3.189 10 30 EGEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713132038 1417706341 /nfs/dbraw/zinc/70/63/41/1417706341.db2.gz RFEJJJGIMHBECN-SFHVURJKSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713721142 1418494279 /nfs/dbraw/zinc/49/42/79/1418494279.db2.gz KNBWRAHEMHGEGS-FQEVSTJZSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001713897399 1418695857 /nfs/dbraw/zinc/69/58/57/1418695857.db2.gz JWHVIURNRUEDNV-IAGOWNOFSA-N 2 0 343.943 3.030 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001713910994 1418707382 /nfs/dbraw/zinc/70/73/82/1418707382.db2.gz XDFDMURQXJDUHV-INDMIFKZSA-N 2 0 335.536 3.137 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001714035904 1418824842 /nfs/dbraw/zinc/82/48/42/1418824842.db2.gz BGOFTQCYUMXMAW-LJQANCHMSA-N 2 0 349.563 3.293 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001714130253 1418933664 /nfs/dbraw/zinc/93/36/64/1418933664.db2.gz RDTZBKSFZNVMIL-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]C[C@]1(NC(=O)CC[NH+]2CCCCC2)CCCC[C@H]1C ZINC001714188884 1418995633 /nfs/dbraw/zinc/99/56/33/1418995633.db2.gz YLWWONHCRUHVDO-TZIWHRDSSA-N 2 0 349.563 3.483 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCCC1 ZINC001715400892 1420099614 /nfs/dbraw/zinc/09/96/14/1420099614.db2.gz MBXXHBJJLIZCSQ-LJQANCHMSA-N 2 0 349.563 3.482 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001715472190 1420151109 /nfs/dbraw/zinc/15/11/09/1420151109.db2.gz HLDVWMFYPAZXLJ-PXNSSMCTSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC ZINC001716638730 1420795850 /nfs/dbraw/zinc/79/58/50/1420795850.db2.gz DPJFIJHEEIMXMM-RTBURBONSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC ZINC001716638727 1420795918 /nfs/dbraw/zinc/79/59/18/1420795918.db2.gz DPJFIJHEEIMXMM-MOPGFXCFSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001716715048 1420871041 /nfs/dbraw/zinc/87/10/41/1420871041.db2.gz JSKQMNWLTCFCLN-ROUUACIJSA-N 2 0 347.547 3.138 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001716780033 1420918985 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YRUNLSLGLWHVKP-ICSRJNTNSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001717581863 1421508263 /nfs/dbraw/zinc/50/82/63/1421508263.db2.gz ATKOAZLIXNKABV-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)c1sccc1C[NH+](C)C)C(C)(C)C ZINC001717960720 1421732221 /nfs/dbraw/zinc/73/22/21/1421732221.db2.gz TVMHLDCPYHZMBT-HNNXBMFYSA-N 2 0 337.533 3.120 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1CC ZINC001723383784 1424379746 /nfs/dbraw/zinc/37/97/46/1424379746.db2.gz DZDIZSFCYGKAFM-VQTJNVASSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001724225231 1424743242 /nfs/dbraw/zinc/74/32/42/1424743242.db2.gz OSPLHDWHMVTJQK-HXUWFJFHSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001724294358 1424778913 /nfs/dbraw/zinc/77/89/13/1424778913.db2.gz MBYQUHUFNJXZOW-LJQANCHMSA-N 2 0 347.547 3.188 10 30 EGEERP 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341.430 3.489 10 30 EGEERP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000598715697 460003940 /nfs/dbraw/zinc/00/39/40/460003940.db2.gz SGZULMODFUHNRO-LJQANCHMSA-N 2 0 329.488 3.063 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000876719777 1298940375 /nfs/dbraw/zinc/94/03/75/1298940375.db2.gz VEFWXJMDKNBHOF-YJBOKZPZSA-N 2 0 349.906 3.147 10 30 EGEERP C#CCC1([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CCOCC1 ZINC000887122460 1303681761 /nfs/dbraw/zinc/68/17/61/1303681761.db2.gz ZDFDUGZQBUWDDV-UHFFFAOYSA-N 2 0 326.484 3.335 10 30 EGEERP C#CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1 ZINC000925887757 1325344129 /nfs/dbraw/zinc/34/41/29/1325344129.db2.gz LVIUZGDVRAQPHW-RBDMOPTHSA-N 2 0 334.463 3.408 10 30 EGEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940786339 1331193569 /nfs/dbraw/zinc/19/35/69/1331193569.db2.gz VDCUQNJARBPENY-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001324763893 1387763906 /nfs/dbraw/zinc/76/39/06/1387763906.db2.gz PXOFDSZPYHAKCP-FQEVSTJZSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH+]1CCC(C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001324893420 1387808313 /nfs/dbraw/zinc/80/83/13/1387808313.db2.gz SCTRLUXDWJXKHJ-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001325919276 1388082727 /nfs/dbraw/zinc/08/27/27/1388082727.db2.gz HSFKJACNKZDWSG-HSALFYBXSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001327143679 1388401017 /nfs/dbraw/zinc/40/10/17/1388401017.db2.gz VMGYEZIBWHLYAA-MSOLQXFVSA-N 2 0 335.536 3.186 10 30 EGEERP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001266373860 1377298628 /nfs/dbraw/zinc/29/86/28/1377298628.db2.gz MVQZAQKHLWTSSQ-SFHVURJKSA-N 2 0 349.563 3.412 10 30 EGEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001271557568 1377638566 /nfs/dbraw/zinc/63/85/66/1377638566.db2.gz 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C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001284701901 1380116839 /nfs/dbraw/zinc/11/68/39/1380116839.db2.gz GTQNOPMUHWUCPX-QUCCMNQESA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001284920654 1380311990 /nfs/dbraw/zinc/31/19/90/1380311990.db2.gz IWZXPBOBTHNUCJ-HXUWFJFHSA-N 2 0 345.531 3.108 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001328097634 1388669300 /nfs/dbraw/zinc/66/93/00/1388669300.db2.gz GXOQIVIYQJFDDA-SFHVURJKSA-N 2 0 349.563 3.269 10 30 EGEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001316812284 1384611091 /nfs/dbraw/zinc/61/10/91/1384611091.db2.gz ZLGWZFWJQHHBLG-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001317169327 1384934305 /nfs/dbraw/zinc/93/43/05/1384934305.db2.gz ZFGVVDCVHYEVKL-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(Cl)C[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C(C)C ZINC001317685993 1385397104 /nfs/dbraw/zinc/39/71/04/1385397104.db2.gz GSVGYFIEHXXITL-UHFFFAOYSA-N 2 0 343.943 3.220 10 30 EGEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001317880626 1385559138 /nfs/dbraw/zinc/55/91/38/1385559138.db2.gz ZFMBUGLIXDQMNO-PMACEKPBSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001318982905 1385908442 /nfs/dbraw/zinc/90/84/42/1385908442.db2.gz DBZIPYRIVYJPBU-GUDVDZBRSA-N 2 0 335.536 3.234 10 30 EGEERP C=CCC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CCCCC2)CCCC1 ZINC001698632672 1406276932 /nfs/dbraw/zinc/27/69/32/1406276932.db2.gz SOUHCNKRJHGDHK-UHFFFAOYSA-N 2 0 335.536 3.093 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001319662199 1386241452 /nfs/dbraw/zinc/24/14/52/1386241452.db2.gz HBUWBCPCCSJQFG-PKOBYXMFSA-N 2 0 347.547 3.092 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001319833708 1386325892 /nfs/dbraw/zinc/32/58/92/1386325892.db2.gz SINKVUHYDXOKQD-VQTJNVASSA-N 2 0 349.563 3.435 10 30 EGEERP CCCCCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001319864226 1386342890 /nfs/dbraw/zinc/34/28/90/1386342890.db2.gz NCKJOZDVYRCMAR-RBUKOAKNSA-N 2 0 349.563 3.269 10 30 EGEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001479305032 1392208997 /nfs/dbraw/zinc/20/89/97/1392208997.db2.gz IBZLUQGYEDZWHL-CALCHBBNSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001479689124 1392320525 /nfs/dbraw/zinc/32/05/25/1392320525.db2.gz XZBQZLGCYBFAJO-AZUAARDMSA-N 2 0 347.547 3.330 10 30 EGEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001479689075 1392320831 /nfs/dbraw/zinc/32/08/31/1392320831.db2.gz OHWKRSUFNWRWGL-GOSISDBHSA-N 2 0 347.547 3.024 10 30 EGEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001480096209 1392582715 /nfs/dbraw/zinc/58/27/15/1392582715.db2.gz OOJZVZRYELVNJZ-ZCNNSNEGSA-N 2 0 345.531 3.035 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001482006202 1394666113 /nfs/dbraw/zinc/66/61/13/1394666113.db2.gz NXXXFNRGEDKGHX-LJQANCHMSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[N@@H+](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001485767601 1396145001 /nfs/dbraw/zinc/14/50/01/1396145001.db2.gz LGMQZOYMDRVGIH-UHFFFAOYSA-N 2 0 343.515 3.251 10 30 EGEERP C=CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001496350622 1396660850 /nfs/dbraw/zinc/66/08/50/1396660850.db2.gz ISIZKASIGBRYED-AEFFLSMTSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001689365853 1403706239 /nfs/dbraw/zinc/70/62/39/1403706239.db2.gz PWEGHKXBKUCLID-MRXNPFEDSA-N 2 0 343.943 3.078 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001690501616 1404614521 /nfs/dbraw/zinc/61/45/21/1404614521.db2.gz NJLXDIFZXLXAPH-MSOLQXFVSA-N 2 0 337.552 3.147 10 30 EGEERP C=C(C)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001690501716 1404615083 /nfs/dbraw/zinc/61/50/83/1404615083.db2.gz OOKIPCUSRAGVSZ-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001690504166 1404616336 /nfs/dbraw/zinc/61/63/36/1404616336.db2.gz AHSYBFWWMRPDNI-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001691165890 1405101236 /nfs/dbraw/zinc/10/12/36/1405101236.db2.gz IRXJVAOEYQMQMK-ICSRJNTNSA-N 2 0 343.515 3.084 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001691673427 1405407167 /nfs/dbraw/zinc/40/71/67/1405407167.db2.gz XGRRGMLHBZIQAZ-QUCCMNQESA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001691738344 1405460447 /nfs/dbraw/zinc/46/04/47/1405460447.db2.gz ITZFVQAHNRTNSY-UXHICEINSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001691790181 1405499231 /nfs/dbraw/zinc/49/92/31/1405499231.db2.gz JXMJBKZIWHWPQN-PMACEKPBSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001691964730 1405680885 /nfs/dbraw/zinc/68/08/85/1405680885.db2.gz DQNSKSKEONNFBP-INIZCTEOSA-N 2 0 349.544 3.170 10 30 EGEERP C=CCC[NH2+][C@H]1CCCCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001692328774 1405946693 /nfs/dbraw/zinc/94/66/93/1405946693.db2.gz ABGKTNKFVZGVQG-FQEVSTJZSA-N 2 0 343.515 3.299 10 30 EGEERP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001732314205 1428526190 /nfs/dbraw/zinc/52/61/90/1428526190.db2.gz OBGYSFDCIJSVQZ-MXVIHJGJSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001732404037 1428568111 /nfs/dbraw/zinc/56/81/11/1428568111.db2.gz PURKANWWABAWCO-LJQANCHMSA-N 2 0 347.547 3.142 10 30 EGEERP CC#CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CCCCCC1 ZINC001699685520 1413084497 /nfs/dbraw/zinc/08/44/97/1413084497.db2.gz VBGNXRJXOXXUBL-HXUWFJFHSA-N 2 0 347.547 3.024 10 30 EGEERP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001699688302 1413089090 /nfs/dbraw/zinc/08/90/90/1413089090.db2.gz CCSNCXCNNASYGS-UHFFFAOYSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001699735484 1413146954 /nfs/dbraw/zinc/14/69/54/1413146954.db2.gz FHTCWBHVBVMSLE-YLJYHZDGSA-N 2 0 343.515 3.297 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001699735480 1413147116 /nfs/dbraw/zinc/14/71/16/1413147116.db2.gz FHTCWBHVBVMSLE-XLIONFOSSA-N 2 0 343.515 3.297 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001699844250 1413273018 /nfs/dbraw/zinc/27/30/18/1413273018.db2.gz KBFSXROILAJGGP-PXNSSMCTSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001699858560 1413290849 /nfs/dbraw/zinc/29/08/49/1413290849.db2.gz LKNFPXVOSQEIAF-QUCCMNQESA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001700196327 1413637885 /nfs/dbraw/zinc/63/78/85/1413637885.db2.gz DEGNNARUFSXHEI-PMACEKPBSA-N 2 0 349.563 3.245 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001700199463 1413641633 /nfs/dbraw/zinc/64/16/33/1413641633.db2.gz WIVLMFXYIMUVLD-UXHICEINSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001700222497 1413670526 /nfs/dbraw/zinc/67/05/26/1413670526.db2.gz IVHABYKIXZUWPM-SFHVURJKSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001700293883 1413751329 /nfs/dbraw/zinc/75/13/29/1413751329.db2.gz KLJMPZDLTADMSW-MOPGFXCFSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001700320546 1413784930 /nfs/dbraw/zinc/78/49/30/1413784930.db2.gz OXKUJZIJJWYTHM-FXAWDEMLSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC001700333389 1413813509 /nfs/dbraw/zinc/81/35/09/1413813509.db2.gz SGWRMCGVFJGWON-LJQANCHMSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001700666317 1414324922 /nfs/dbraw/zinc/32/49/22/1414324922.db2.gz OWFJFZYZNWUMQG-OAHLLOKOSA-N 2 0 328.460 3.097 10 30 EGEERP C=CCC[NH2+]C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC001701000177 1414652331 /nfs/dbraw/zinc/65/23/31/1414652331.db2.gz KSELUFOLNBPFPE-GOSISDBHSA-N 2 0 331.504 3.058 10 30 EGEERP C=C(C)CC[NH+]1CCC(C2(NC(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC001701032977 1414697219 /nfs/dbraw/zinc/69/72/19/1414697219.db2.gz TZFRVAHCYRNNRF-UHFFFAOYSA-N 2 0 347.547 3.189 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001707237044 1417257329 /nfs/dbraw/zinc/25/73/29/1417257329.db2.gz HTRYUFDZAUDDQU-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001713097455 1417647335 /nfs/dbraw/zinc/64/73/35/1417647335.db2.gz SQUSLHATUTTZMC-LJQANCHMSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001713263392 1417871636 /nfs/dbraw/zinc/87/16/36/1417871636.db2.gz LWQYQUIZNADIFG-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001713684328 1418436617 /nfs/dbraw/zinc/43/66/17/1418436617.db2.gz KSRMSXHXQUMQJR-KRWDZBQOSA-N 2 0 343.515 3.155 10 30 EGEERP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001713951608 1418735286 /nfs/dbraw/zinc/73/52/86/1418735286.db2.gz GNOIKALJXODVLU-CADBVGFASA-N 2 0 335.536 3.211 10 30 EGEERP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001713951610 1418735698 /nfs/dbraw/zinc/73/56/98/1418735698.db2.gz GNOIKALJXODVLU-NCXUSEDFSA-N 2 0 335.536 3.211 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713955209 1418737645 /nfs/dbraw/zinc/73/76/45/1418737645.db2.gz IDZKPZDJZGPWCP-KZNAEPCWSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001714141873 1418944503 /nfs/dbraw/zinc/94/45/03/1418944503.db2.gz JIVGCBRDDKOHBB-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001714146667 1418951369 /nfs/dbraw/zinc/95/13/69/1418951369.db2.gz ZPQZWSCWILZNIA-WOJBJXKFSA-N 2 0 347.547 3.284 10 30 EGEERP C=CCC[NH2+]C[C@@]1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC[C@H]1C ZINC001714187157 1418994250 /nfs/dbraw/zinc/99/42/50/1418994250.db2.gz PRUQJANMYKIBQM-NQIIRXRSSA-N 2 0 349.563 3.338 10 30 EGEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001714323183 1419101402 /nfs/dbraw/zinc/10/14/02/1419101402.db2.gz WODBVFKSKSOMIR-UHFFFAOYSA-N 2 0 343.515 3.089 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001715191293 1419923192 /nfs/dbraw/zinc/92/31/92/1419923192.db2.gz XJTPOAMRGHRJEQ-WDSOQIARSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCCCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001715468929 1420147819 /nfs/dbraw/zinc/14/78/19/1420147819.db2.gz DCJALRUDCIKION-AZUAARDMSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001716478288 1420693572 /nfs/dbraw/zinc/69/35/72/1420693572.db2.gz PZQFDCLGLMUSOU-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001733269785 1429431613 /nfs/dbraw/zinc/43/16/13/1429431613.db2.gz RPKKGIYMWOFBND-MOPGFXCFSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001717357226 1421292488 /nfs/dbraw/zinc/29/24/88/1421292488.db2.gz CHDHRXQFPZMLNF-FQEVSTJZSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001717740682 1421604170 /nfs/dbraw/zinc/60/41/70/1421604170.db2.gz UJTDCWALGGYEHV-LJQANCHMSA-N 2 0 340.471 3.049 10 30 EGEERP C=CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001733343034 1429525866 /nfs/dbraw/zinc/52/58/66/1429525866.db2.gz UKFOGYJGCXGESZ-IBGZPJMESA-N 2 0 347.547 3.189 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001733392829 1429583326 /nfs/dbraw/zinc/58/33/26/1429583326.db2.gz HYAUWPAWUROVAN-OAQYLSRUSA-N 2 0 349.563 3.389 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724239842 1424750487 /nfs/dbraw/zinc/75/04/87/1424750487.db2.gz ZCENCVMAMWIUTH-YLJYHZDGSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001724652269 1425013629 /nfs/dbraw/zinc/01/36/29/1425013629.db2.gz RKJQVZNMIPEHLT-RTBURBONSA-N 2 0 335.536 3.118 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001724730435 1425082258 /nfs/dbraw/zinc/08/22/58/1425082258.db2.gz VLDSCZVEPZAUSK-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001724779488 1425143720 /nfs/dbraw/zinc/14/37/20/1425143720.db2.gz YHNFRRTVBGKQOO-IEBWSBKVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001724869770 1425252995 /nfs/dbraw/zinc/25/29/95/1425252995.db2.gz WBJPYEYJPCSLTK-UXHICEINSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001725046359 1425476756 /nfs/dbraw/zinc/47/67/56/1425476756.db2.gz ZQFQADRXEKMXNG-SFHVURJKSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001725210057 1425769697 /nfs/dbraw/zinc/76/96/97/1425769697.db2.gz DHCHSLLFQDUJDM-UXHICEINSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001725784753 1426469902 /nfs/dbraw/zinc/46/99/02/1426469902.db2.gz AOVODOVITWKQNG-PBPGXSGUSA-N 2 0 343.515 3.296 10 30 EGEERP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001731292444 1427234725 /nfs/dbraw/zinc/23/47/25/1427234725.db2.gz FAJIJKJOSREGIU-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001731295580 1427237896 /nfs/dbraw/zinc/23/78/96/1427237896.db2.gz FQBGCVZGGNCSJP-PXNSSMCTSA-N 2 0 343.515 3.297 10 30 EGEERP CCCCCCC[NH+]1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001731364419 1427297879 /nfs/dbraw/zinc/29/78/79/1427297879.db2.gz QIMHJPMSDOLZJZ-UHFFFAOYSA-N 2 0 337.552 3.364 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001731553897 1427577170 /nfs/dbraw/zinc/57/71/70/1427577170.db2.gz ZPLAZKQDBOUTKF-MOPGFXCFSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001733907580 1437726084 /nfs/dbraw/zinc/72/60/84/1437726084.db2.gz ROZZMOMGXOIFPA-HXUWFJFHSA-N 2 0 343.515 3.008 10 30 EGEERP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001734155834 1437922139 /nfs/dbraw/zinc/92/21/39/1437922139.db2.gz QGMYDRHDNKYLCS-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001734442309 1438104476 /nfs/dbraw/zinc/10/44/76/1438104476.db2.gz PZCSEJCHLJEHJT-CTNGQTDRSA-N 2 0 349.563 3.412 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001734449531 1438109026 /nfs/dbraw/zinc/10/90/26/1438109026.db2.gz LLZUCJJZXSNOQS-HSALFYBXSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001734573060 1438166756 /nfs/dbraw/zinc/16/67/56/1438166756.db2.gz HCIKBLUTCVXWPT-GOSISDBHSA-N 2 0 337.552 3.194 10 30 EGEERP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000423296046 269839056 /nfs/dbraw/zinc/83/90/56/269839056.db2.gz YFWPQVRZKKTYME-MRXNPFEDSA-N 2 0 334.467 3.337 10 30 EGEERP CCCCCCNC(=[NH2+])NC(=[NH2+])Nc1cccc(C(F)(F)F)c1 ZINC000005499160 452877681 /nfs/dbraw/zinc/87/76/81/452877681.db2.gz WIDJCVDXMKMTMF-UHFFFAOYSA-N 2 0 329.370 3.327 10 30 EGEERP Cc1nc2ccccc2n1CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123165072 454609154 /nfs/dbraw/zinc/60/91/54/454609154.db2.gz OGBJOFRJWHTBPF-UHFFFAOYSA-N 2 0 344.422 3.044 10 30 EGEERP C[N@H+](CCCCC#N)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862956 454660928 /nfs/dbraw/zinc/66/09/28/454660928.db2.gz PJKRLSVLGWOORA-FQEVSTJZSA-N 2 0 329.488 3.058 10 30 EGEERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000423016358 458429382 /nfs/dbraw/zinc/42/93/82/458429382.db2.gz MKWWFLXOYNBVNY-RVHYNSKXSA-N 2 0 335.451 3.067 10 30 EGEERP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594949609 459189211 /nfs/dbraw/zinc/18/92/11/459189211.db2.gz GEYWPNAJHHFRJE-HXUWFJFHSA-N 2 0 329.407 3.306 10 30 EGEERP C=CCCCCCNC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000574927149 459896887 /nfs/dbraw/zinc/89/68/87/459896887.db2.gz YSUXUZGCSWWUAM-UHFFFAOYSA-N 2 0 335.536 3.045 10 30 EGEERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610993952 460274914 /nfs/dbraw/zinc/27/49/14/460274914.db2.gz IQUHNSIFOVHKJT-QGZVFWFLSA-N 2 0 326.488 3.430 10 30 EGEERP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001323817107 1387467468 /nfs/dbraw/zinc/46/74/68/1387467468.db2.gz WTFMQEAHSAAOEI-TZIWHRDSSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001324727067 1387753098 /nfs/dbraw/zinc/75/30/98/1387753098.db2.gz FBQBLPOYDOYGKZ-FQEVSTJZSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001326287057 1388142485 /nfs/dbraw/zinc/14/24/85/1388142485.db2.gz LGFAHSXWJQIVNY-AZUAARDMSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001326567044 1388242463 /nfs/dbraw/zinc/24/24/63/1388242463.db2.gz RWLPNDHTKAUUFQ-IRJFHVNHSA-N 2 0 343.515 3.203 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001266240826 1377243426 /nfs/dbraw/zinc/24/34/26/1377243426.db2.gz DKGDTNZSHWYEOK-LJQANCHMSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001266502115 1377323581 /nfs/dbraw/zinc/32/35/81/1377323581.db2.gz WNWUAGWPPMCZGE-HSALFYBXSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCCCC[N@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001279591947 1378315890 /nfs/dbraw/zinc/31/58/90/1378315890.db2.gz RHXJQJSOVBSUKT-UHFFFAOYSA-N 2 0 345.531 3.110 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001284127823 1379503444 /nfs/dbraw/zinc/50/34/44/1379503444.db2.gz FQYAKYRMAFXENB-SJLPKXTDSA-N 2 0 335.536 3.185 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC1(C)C ZINC001284321974 1379712038 /nfs/dbraw/zinc/71/20/38/1379712038.db2.gz DXABLDVNVSNPIZ-SJORKVTESA-N 2 0 337.552 3.146 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC001284331342 1379727585 /nfs/dbraw/zinc/72/75/85/1379727585.db2.gz IAWQRXOCARCUPA-IBGZPJMESA-N 2 0 349.563 3.291 10 30 EGEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001284694972 1380108702 /nfs/dbraw/zinc/10/87/02/1380108702.db2.gz PNGCNBJOTDQRAG-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001328049057 1388653753 /nfs/dbraw/zinc/65/37/53/1388653753.db2.gz FDQXYMURCALCNF-LJQANCHMSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001328265669 1388703504 /nfs/dbraw/zinc/70/35/04/1388703504.db2.gz CLAHHDNMIZMOEO-MSOLQXFVSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001316614430 1384482862 /nfs/dbraw/zinc/48/28/62/1384482862.db2.gz FOMGEQJRNOBQFH-QRVBRYPASA-N 2 0 347.547 3.092 10 30 EGEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001316812282 1384611282 /nfs/dbraw/zinc/61/12/82/1384611282.db2.gz ZLGWZFWJQHHBLG-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001316948320 1384720253 /nfs/dbraw/zinc/72/02/53/1384720253.db2.gz UERPXGQOPKNPLL-GOSISDBHSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001317159590 1384923686 /nfs/dbraw/zinc/92/36/86/1384923686.db2.gz IXTYIWKKGJRHSG-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001318284547 1385641508 /nfs/dbraw/zinc/64/15/08/1385641508.db2.gz RFOMSBSLRSAKOF-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001318991123 1385914768 /nfs/dbraw/zinc/91/47/68/1385914768.db2.gz PRWGXRFXZICPOM-MBOZVWFJSA-N 2 0 343.515 3.087 10 30 EGEERP C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC001177638416 1386013081 /nfs/dbraw/zinc/01/30/81/1386013081.db2.gz YUKFIQJRBSXDOJ-NQIIRXRSSA-N 2 0 327.516 3.268 10 30 EGEERP C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC001177638417 1386013146 /nfs/dbraw/zinc/01/31/46/1386013146.db2.gz YUKFIQJRBSXDOJ-RXVVDRJESA-N 2 0 327.516 3.268 10 30 EGEERP CCCCCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001319694000 1386255273 /nfs/dbraw/zinc/25/52/73/1386255273.db2.gz AAFJMJUZEWDSSI-OALUTQOASA-N 2 0 349.563 3.412 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001329243167 1389033780 /nfs/dbraw/zinc/03/37/80/1389033780.db2.gz ICGDUXYEXUECFW-YXWAVELNSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)C[NH2+]CC1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCCC1 ZINC001329860692 1389238291 /nfs/dbraw/zinc/23/82/91/1389238291.db2.gz LVDKYYXSFKHEIL-UHFFFAOYSA-N 2 0 343.515 3.347 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001698723058 1406370617 /nfs/dbraw/zinc/37/06/17/1406370617.db2.gz NJVBJXMAVRAONK-UHFFFAOYSA-N 2 0 347.547 3.047 10 30 EGEERP C=CCc1cc(OC)cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1O ZINC001337806592 1389448960 /nfs/dbraw/zinc/44/89/60/1389448960.db2.gz UMFUNYZVFOQZES-YQVWRLOYSA-N 2 0 344.499 3.291 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001330666767 1389490209 /nfs/dbraw/zinc/49/02/09/1389490209.db2.gz KFWWRJQEXJEHGU-RDGPPVDQSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCCC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001331053492 1389611803 /nfs/dbraw/zinc/61/18/03/1389611803.db2.gz LFAXMGSPIFFRKA-LJQANCHMSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001488837589 1391731597 /nfs/dbraw/zinc/73/15/97/1391731597.db2.gz HWILJXQDHDBUNK-XIRDDKMYSA-N 2 0 340.471 3.095 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@@H](C)n1ccnc1 ZINC001479597195 1392284652 /nfs/dbraw/zinc/28/46/52/1392284652.db2.gz FTVYVALLFGXPPX-GUDVDZBRSA-N 2 0 346.519 3.407 10 30 EGEERP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001479695839 1392326913 /nfs/dbraw/zinc/32/69/13/1392326913.db2.gz OZYMCPFEMJUTRZ-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001479823476 1392412444 /nfs/dbraw/zinc/41/24/44/1392412444.db2.gz DZTFHKZXWPPRCS-DNVCBOLYSA-N 2 0 340.471 3.192 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001480701315 1392864604 /nfs/dbraw/zinc/86/46/04/1392864604.db2.gz KKHGNQOGFUGYPC-RBUKOAKNSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001480734154 1392898497 /nfs/dbraw/zinc/89/84/97/1392898497.db2.gz ZSLQCZTZSOEVPY-VQTJNVASSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001481338160 1393166830 /nfs/dbraw/zinc/16/68/30/1393166830.db2.gz SYQOPFYNNOTVIR-SFHVURJKSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC001698884694 1406617529 /nfs/dbraw/zinc/61/75/29/1406617529.db2.gz PQEVZRWQHUMFMS-FQEVSTJZSA-N 2 0 349.563 3.338 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001698901902 1406635082 /nfs/dbraw/zinc/63/50/82/1406635082.db2.gz YMWCQVLPCLXLNM-KXBFYZLASA-N 2 0 340.471 3.049 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001491358693 1394511021 /nfs/dbraw/zinc/51/10/21/1394511021.db2.gz XZBTVEIZXIBGAL-WWDZGPRUSA-N 2 0 335.536 3.233 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001482050992 1394714033 /nfs/dbraw/zinc/71/40/33/1394714033.db2.gz MFUKWJKJOWUQSP-IBGZPJMESA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001482481713 1395035670 /nfs/dbraw/zinc/03/56/70/1395035670.db2.gz KHCWXCHTWMCFAA-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001484145725 1395281765 /nfs/dbraw/zinc/28/17/65/1395281765.db2.gz ZOFADEHPHLWROM-RBUKOAKNSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001484820497 1395554633 /nfs/dbraw/zinc/55/46/33/1395554633.db2.gz VGQOQRPBGVLDMW-GOSISDBHSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001485241763 1395735079 /nfs/dbraw/zinc/73/50/79/1395735079.db2.gz MWKMNYXVRYITKC-UHFFFAOYSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001485765844 1396142233 /nfs/dbraw/zinc/14/22/33/1396142233.db2.gz YCNUQQQXDQONPS-UHFFFAOYSA-N 2 0 343.515 3.251 10 30 EGEERP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001491958281 1396300653 /nfs/dbraw/zinc/30/06/53/1396300653.db2.gz CAVXKYFLQFWVDT-PMACEKPBSA-N 2 0 343.515 3.178 10 30 EGEERP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001495391447 1396534804 /nfs/dbraw/zinc/53/48/04/1396534804.db2.gz OZDKLUVURCTHDP-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCCC1 ZINC001496312709 1396644784 /nfs/dbraw/zinc/64/47/84/1396644784.db2.gz RTCXMBIPIATOAF-IBGZPJMESA-N 2 0 347.547 3.093 10 30 EGEERP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001691230276 1405169494 /nfs/dbraw/zinc/16/94/94/1405169494.db2.gz YLWACOMTRZYRRX-NSHGMRRFSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691377014 1405218830 /nfs/dbraw/zinc/21/88/30/1405218830.db2.gz NIQBFGBFHDISKO-QUCCMNQESA-N 2 0 349.563 3.290 10 30 EGEERP C=CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC(C)(C)C1 ZINC001691818556 1405533733 /nfs/dbraw/zinc/53/37/33/1405533733.db2.gz FMMDFBFRCKHDQP-SFHVURJKSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001692318756 1405937554 /nfs/dbraw/zinc/93/75/54/1405937554.db2.gz IAOUYDLWVFOFIH-GBESFXJTSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001732289993 1428516177 /nfs/dbraw/zinc/51/61/77/1428516177.db2.gz ZGQCFZSQQTUBMM-DYESRHJHSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1CC ZINC001699607821 1412971839 /nfs/dbraw/zinc/97/18/39/1412971839.db2.gz SLBAYVVTICGQAY-ICSRJNTNSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001699681472 1413075688 /nfs/dbraw/zinc/07/56/88/1413075688.db2.gz MHQKMZUDJFKYFU-VOBGVNJCSA-N 2 0 347.547 3.185 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001699964419 1413405008 /nfs/dbraw/zinc/40/50/08/1413405008.db2.gz ALYHDMOYOABXHV-MSOLQXFVSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001699982490 1413428377 /nfs/dbraw/zinc/42/83/77/1413428377.db2.gz ZTKLVAGGBKBJCU-MUGJNUQGSA-N 2 0 349.563 3.338 10 30 EGEERP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](CC)CC)cc2C1 ZINC001700252371 1413699632 /nfs/dbraw/zinc/69/96/32/1413699632.db2.gz ICJNJTDHTKUXRN-HXUWFJFHSA-N 2 0 343.515 3.315 10 30 EGEERP C=CCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001700289129 1413738323 /nfs/dbraw/zinc/73/83/23/1413738323.db2.gz ACBYVRMIQVRJAH-SFHVURJKSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700524869 1414184344 /nfs/dbraw/zinc/18/43/44/1414184344.db2.gz MNHSSLYHCYVHSR-SFHVURJKSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)(C)C ZINC001700995170 1414642805 /nfs/dbraw/zinc/64/28/05/1414642805.db2.gz GECFCCMVIBSVSI-ROUUACIJSA-N 2 0 337.552 3.336 10 30 EGEERP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001713098716 1417649457 /nfs/dbraw/zinc/64/94/57/1417649457.db2.gz UJGWWBXNLZNQNJ-SFHVURJKSA-N 2 0 335.536 3.023 10 30 EGEERP C=CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713252310 1417845903 /nfs/dbraw/zinc/84/59/03/1417845903.db2.gz WCIIBPZQKWUVFA-WOJBJXKFSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001713269435 1417879538 /nfs/dbraw/zinc/87/95/38/1417879538.db2.gz DFIGHALISVBODX-RBUKOAKNSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C(C)C ZINC001713689323 1418442888 /nfs/dbraw/zinc/44/28/88/1418442888.db2.gz BSALXOUOGRFNAW-OALUTQOASA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713957475 1418739540 /nfs/dbraw/zinc/73/95/40/1418739540.db2.gz ANNRNHDNZMNRKZ-CGBFIWBNSA-N 2 0 347.547 3.375 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(C1)CCN(C(=O)CC[N@@H+](C)CCC)CC2 ZINC001714365607 1419125751 /nfs/dbraw/zinc/12/57/51/1419125751.db2.gz JAGOFRPUORLVAK-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001733204312 1429310321 /nfs/dbraw/zinc/31/03/21/1429310321.db2.gz WVOCRIQAJVNAPL-HKUYNNGSSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCC1 ZINC001714500360 1419226163 /nfs/dbraw/zinc/22/61/63/1419226163.db2.gz MFPRBVICBPPADU-KRWDZBQOSA-N 2 0 335.536 3.234 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001714627207 1419397891 /nfs/dbraw/zinc/39/78/91/1419397891.db2.gz YYLCUMIOVVJNNY-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001715094984 1419835762 /nfs/dbraw/zinc/83/57/62/1419835762.db2.gz SJBMVJQBJBPYSV-AEFFLSMTSA-N 2 0 347.503 3.138 10 30 EGEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC001715195031 1419926920 /nfs/dbraw/zinc/92/69/20/1419926920.db2.gz HPFVZKXUPLFTKZ-VQTJNVASSA-N 2 0 343.515 3.089 10 30 EGEERP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)CCCCCC)CC2 ZINC001715218978 1419952797 /nfs/dbraw/zinc/95/27/97/1419952797.db2.gz ZTRGQZNKTQVNHD-UHFFFAOYSA-N 2 0 349.563 3.389 10 30 EGEERP CCCCCCC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001715314941 1420023891 /nfs/dbraw/zinc/02/38/91/1420023891.db2.gz JQJDEATVQSNUEF-IBGZPJMESA-N 2 0 349.563 3.223 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716062395 1420522716 /nfs/dbraw/zinc/52/27/16/1420522716.db2.gz UUMWFIBCFYQABY-ZWKOTPCHSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001733276456 1429441036 /nfs/dbraw/zinc/44/10/36/1429441036.db2.gz UYGCMSHDLQJPTD-RLLQIKCJSA-N 2 0 347.547 3.138 10 30 EGEERP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001716731586 1420890342 /nfs/dbraw/zinc/89/03/42/1420890342.db2.gz KKPDRSLSKAJGJI-OAQYLSRUSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001716888315 1421011934 /nfs/dbraw/zinc/01/19/34/1421011934.db2.gz UGOFPMOPAOUBHV-GOSISDBHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001716901412 1421033145 /nfs/dbraw/zinc/03/31/45/1421033145.db2.gz HQJBBQSANKUVFO-TZIWHRDSSA-N 2 0 343.515 3.084 10 30 EGEERP C=CCCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001716952802 1421048640 /nfs/dbraw/zinc/04/86/40/1421048640.db2.gz MFMGTNMQLZTXJD-PMACEKPBSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001717198230 1421165044 /nfs/dbraw/zinc/16/50/44/1421165044.db2.gz NSXGTEMKUVAXPO-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001717201649 1421169759 /nfs/dbraw/zinc/16/97/59/1421169759.db2.gz ZYYVVJASKZNDLW-PMACEKPBSA-N 2 0 343.515 3.226 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001717202331 1421170219 /nfs/dbraw/zinc/17/02/19/1421170219.db2.gz QQQOEKLYEQMHKF-HXUWFJFHSA-N 2 0 343.515 3.299 10 30 EGEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC001717309057 1421251230 /nfs/dbraw/zinc/25/12/30/1421251230.db2.gz DNWQXDGCURFNKO-RTBURBONSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001717309769 1421252510 /nfs/dbraw/zinc/25/25/10/1421252510.db2.gz SPKCWUNEUFDFPQ-SFHVURJKSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001733343232 1429525600 /nfs/dbraw/zinc/52/56/00/1429525600.db2.gz CFOWZYDWVYQJNP-SFHVURJKSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001733377960 1429561628 /nfs/dbraw/zinc/56/16/28/1429561628.db2.gz ABCFPHQXGBEOCI-UXHICEINSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001733419366 1429625589 /nfs/dbraw/zinc/62/55/89/1429625589.db2.gz VQOIPQHITGOCPG-DYESRHJHSA-N 2 0 343.515 3.297 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC001723862120 1424590817 /nfs/dbraw/zinc/59/08/17/1424590817.db2.gz RVALZOVGNLTSJY-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001724274191 1424769370 /nfs/dbraw/zinc/76/93/70/1424769370.db2.gz VPVOPPRMCNDLHB-HXUWFJFHSA-N 2 0 335.536 3.047 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001724538085 1424901001 /nfs/dbraw/zinc/90/10/01/1424901001.db2.gz WPFJBHRCIZHBTF-RDJZCZTQSA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001724707263 1425064112 /nfs/dbraw/zinc/06/41/12/1425064112.db2.gz JMMMRLLVBWHOCO-OALUTQOASA-N 2 0 347.547 3.045 10 30 EGEERP CCCCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001724760915 1425132008 /nfs/dbraw/zinc/13/20/08/1425132008.db2.gz URMQKOKWKCECPO-LJQANCHMSA-N 2 0 349.563 3.223 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001724848140 1425204274 /nfs/dbraw/zinc/20/42/74/1425204274.db2.gz ZLVHDCJLIIARCF-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001724957302 1425344601 /nfs/dbraw/zinc/34/46/01/1425344601.db2.gz QVZYGGZGLOXOGH-GOSISDBHSA-N 2 0 337.552 3.269 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001724979093 1425380538 /nfs/dbraw/zinc/38/05/38/1425380538.db2.gz KRGDAYNKYVOOAK-MOPGFXCFSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001725057794 1425496390 /nfs/dbraw/zinc/49/63/90/1425496390.db2.gz KKZHGFJXIUHQMJ-MOPGFXCFSA-N 2 0 349.563 3.101 10 30 EGEERP CCCCCCC[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001725346133 1425997097 /nfs/dbraw/zinc/99/70/97/1425997097.db2.gz RDQQFCDWCMBHPU-LJQANCHMSA-N 2 0 349.563 3.223 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC001725796007 1426481913 /nfs/dbraw/zinc/48/19/13/1426481913.db2.gz GLWNQDNWSSLOBX-QGZVFWFLSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001725798350 1426482600 /nfs/dbraw/zinc/48/26/00/1426482600.db2.gz XCZZPIISIKBHAF-FUHWJXTLSA-N 2 0 335.536 3.042 10 30 EGEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001731292445 1427234731 /nfs/dbraw/zinc/23/47/31/1427234731.db2.gz FAJIJKJOSREGIU-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001731295585 1427237825 /nfs/dbraw/zinc/23/78/25/1427237825.db2.gz FQBGCVZGGNCSJP-XLIONFOSSA-N 2 0 343.515 3.297 10 30 EGEERP C=CCCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001731520436 1427508066 /nfs/dbraw/zinc/50/80/66/1427508066.db2.gz GKSIQDLUEDPURM-UFYCRDLUSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001731553839 1427577428 /nfs/dbraw/zinc/57/74/28/1427577428.db2.gz YYKPMHNIBAOZCL-RBUKOAKNSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001731659912 1427712822 /nfs/dbraw/zinc/71/28/22/1427712822.db2.gz MPYPOLUORBMJQS-MOPGFXCFSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001733813791 1430094662 /nfs/dbraw/zinc/09/46/62/1430094662.db2.gz QSQACCTXQQZAPT-NRFANRHFSA-N 2 0 347.547 3.143 10 30 EGEERP C=C(C)CC[NH2+]CC1CC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001733950291 1437762216 /nfs/dbraw/zinc/76/22/16/1437762216.db2.gz OGGQYTYLBDWLGP-UHFFFAOYSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001734105383 1437891193 /nfs/dbraw/zinc/89/11/93/1437891193.db2.gz DXBAZTKCBWXXPX-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1(C)C ZINC001734493477 1438131346 /nfs/dbraw/zinc/13/13/46/1438131346.db2.gz BCMMHJLJBRUDQY-GOSISDBHSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001750943811 1440117455 /nfs/dbraw/zinc/11/74/55/1440117455.db2.gz HEXRZOKPCNWCNM-MJGOQNOKSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001750946220 1440118873 /nfs/dbraw/zinc/11/88/73/1440118873.db2.gz YKIIYQNRGXVSKL-RBUKOAKNSA-N 2 0 349.563 3.290 10 30 EGEERP N#Cc1ccc(OC2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1Cl ZINC000095929873 218450368 /nfs/dbraw/zinc/45/03/68/218450368.db2.gz RKPJCLNRJWZSLU-UHFFFAOYSA-N 2 0 333.863 3.054 10 30 EGEERP C=CCc1cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc(OC)c1O ZINC000414806245 458325604 /nfs/dbraw/zinc/32/56/04/458325604.db2.gz HMLPDWUCLSXMBZ-AWEZNQCLSA-N 2 0 326.440 3.439 10 30 EGEERP C[C@@H]1C[C@H](CC[NH2+]Cc2nc(C#N)cs2)C[N@@H+]1Cc1ccccc1 ZINC000557537171 459082595 /nfs/dbraw/zinc/08/25/95/459082595.db2.gz IJORXDNVTKRBMA-WBVHZDCISA-N 2 0 340.496 3.405 10 30 EGEERP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594440563 460221828 /nfs/dbraw/zinc/22/18/28/460221828.db2.gz FISHUOJKFKAEFD-LJQANCHMSA-N 2 0 342.487 3.268 10 30 EGEERP C=CCOc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000657536239 462170906 /nfs/dbraw/zinc/17/09/06/462170906.db2.gz IACHHYDKUJYDHD-UHFFFAOYSA-N 2 0 344.499 3.232 10 30 EGEERP C=CCC[C@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)c1ccco1 ZINC000873243849 1297385769 /nfs/dbraw/zinc/38/57/69/1297385769.db2.gz NPHJEWUMRISECP-SFHVURJKSA-N 2 0 337.427 3.116 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000876732854 1298944485 /nfs/dbraw/zinc/94/44/85/1298944485.db2.gz HVGWFWNPAOREQG-ZWKOTPCHSA-N 2 0 349.906 3.046 10 30 EGEERP C#Cc1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000883132214 1302265365 /nfs/dbraw/zinc/26/53/65/1302265365.db2.gz IXXODYKYMJSJAI-UHFFFAOYSA-N 2 0 347.506 3.488 10 30 EGEERP C=CCC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCCO1 ZINC000883234636 1302325100 /nfs/dbraw/zinc/32/51/00/1302325100.db2.gz JJTIOIUIENYIKO-RTWAWAEBSA-N 2 0 343.515 3.397 10 30 EGEERP C#CC[C@@H]1CC[NH+](CC(C[N@H+]2CC[C@@H](CC#C)C2)c2ccccc2)C1 ZINC000886365270 1303449336 /nfs/dbraw/zinc/44/93/36/1303449336.db2.gz DXOAOCJIHVGUGE-NHCUHLMSSA-N 2 0 334.507 3.461 10 30 EGEERP Cc1cc(C#N)cc(C)c1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000921759987 1322394122 /nfs/dbraw/zinc/39/41/22/1322394122.db2.gz NOGIJPYSRIOSTI-HDICACEKSA-N 2 0 329.488 3.154 10 30 EGEERP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000865547344 1329712101 /nfs/dbraw/zinc/71/21/01/1329712101.db2.gz BYLFHSYHJYNJCC-FQEVSTJZSA-N 2 0 348.494 3.236 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1CC ZINC001323152423 1387303427 /nfs/dbraw/zinc/30/34/27/1387303427.db2.gz VNHKSFCYZMGKOW-RTBURBONSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001323815533 1387466719 /nfs/dbraw/zinc/46/67/19/1387466719.db2.gz FDVVBKITTRWXRI-NRFANRHFSA-N 2 0 347.547 3.143 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001326488908 1388212940 /nfs/dbraw/zinc/21/29/40/1388212940.db2.gz CEJLWBYFHPANIB-LPHOPBHVSA-N 2 0 331.504 3.116 10 30 EGEERP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001326496242 1388219646 /nfs/dbraw/zinc/21/96/46/1388219646.db2.gz WZDZWCLTOIOTOJ-QZTJIDSGSA-N 2 0 343.515 3.184 10 30 EGEERP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001327127927 1388392366 /nfs/dbraw/zinc/39/23/66/1388392366.db2.gz ZBDSHEKWUOEDEB-WOJBJXKFSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001327298296 1388489056 /nfs/dbraw/zinc/48/90/56/1388489056.db2.gz FZDNLEGKPJGFDO-PMACEKPBSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001327298299 1388489518 /nfs/dbraw/zinc/48/95/18/1388489518.db2.gz FZDNLEGKPJGFDO-UXHICEINSA-N 2 0 349.563 3.245 10 30 EGEERP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001266373859 1377298753 /nfs/dbraw/zinc/29/87/53/1377298753.db2.gz MVQZAQKHLWTSSQ-GOSISDBHSA-N 2 0 349.563 3.412 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC001274434065 1378124527 /nfs/dbraw/zinc/12/45/27/1378124527.db2.gz ASIKDQRNKADDOZ-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001274643239 1378131309 /nfs/dbraw/zinc/13/13/09/1378131309.db2.gz IYANYNOZVWMLLI-IEBWSBKVSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCCC[NH2+]C1(CC)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001327494263 1388536031 /nfs/dbraw/zinc/53/60/31/1388536031.db2.gz ZKCSPIDKSHEALM-ROUUACIJSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001281683194 1378449485 /nfs/dbraw/zinc/44/94/85/1378449485.db2.gz NDFDGPBRMWUDPJ-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001281940512 1378460623 /nfs/dbraw/zinc/46/06/23/1378460623.db2.gz UAVKMZYGVLBPFV-QGZVFWFLSA-N 2 0 349.544 3.312 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001282972412 1378694022 /nfs/dbraw/zinc/69/40/22/1378694022.db2.gz IJSBALVVVBDVQL-GOSISDBHSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001283319134 1378804255 /nfs/dbraw/zinc/80/42/55/1378804255.db2.gz IUYZYOZPGANCGA-UHFFFAOYSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001283434005 1378925285 /nfs/dbraw/zinc/92/52/85/1378925285.db2.gz MUQHMRWHRHLFHL-UXHICEINSA-N 2 0 343.515 3.274 10 30 EGEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001284127490 1379503395 /nfs/dbraw/zinc/50/33/95/1379503395.db2.gz BKPPJJCGPAIURR-FUHWJXTLSA-N 2 0 335.536 3.185 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001327902396 1388619809 /nfs/dbraw/zinc/61/98/09/1388619809.db2.gz LMITZRHOUIZIAC-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001328294955 1388718568 /nfs/dbraw/zinc/71/85/68/1388718568.db2.gz PQNYYMAXFYOPIJ-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001316670535 1384514011 /nfs/dbraw/zinc/51/40/11/1384514011.db2.gz PGBZUUAGWDADTI-RBUKOAKNSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001316671645 1384514618 /nfs/dbraw/zinc/51/46/18/1384514618.db2.gz UZXXWEQUIPNVHX-OALUTQOASA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001317876140 1385555116 /nfs/dbraw/zinc/55/51/16/1385555116.db2.gz CGZCFUTTYPFZKF-UHFFFAOYSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001318908639 1385878599 /nfs/dbraw/zinc/87/85/99/1385878599.db2.gz TUIGKPJFIHQUDP-GOSISDBHSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001319001192 1385919632 /nfs/dbraw/zinc/91/96/32/1385919632.db2.gz ZJNMMBSGBWVLMV-SFHVURJKSA-N 2 0 343.515 3.233 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001319774115 1386291167 /nfs/dbraw/zinc/29/11/67/1386291167.db2.gz GRIXUHIUVKCJBF-GBESFXJTSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001319833706 1386325859 /nfs/dbraw/zinc/32/58/59/1386325859.db2.gz SINKVUHYDXOKQD-UXHICEINSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001319915110 1386386910 /nfs/dbraw/zinc/38/69/10/1386386910.db2.gz HYNJFMGAVVZYJY-QUCCMNQESA-N 2 0 349.563 3.338 10 30 EGEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001331440311 1389750006 /nfs/dbraw/zinc/75/00/06/1389750006.db2.gz RUUOPFGIXAPTCV-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001332149327 1390008116 /nfs/dbraw/zinc/00/81/16/1390008116.db2.gz UFXIMSIQPDXKGW-XUVXKRRUSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001333182379 1390263446 /nfs/dbraw/zinc/26/34/46/1390263446.db2.gz ZTLMLQLKPQOORU-ZHALLVOQSA-N 2 0 347.547 3.042 10 30 EGEERP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC001344582682 1390800904 /nfs/dbraw/zinc/80/09/04/1390800904.db2.gz BPLOVARPZCSQSL-HNNXBMFYSA-N 2 0 343.393 3.389 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001479527431 1392270091 /nfs/dbraw/zinc/27/00/91/1392270091.db2.gz UFBQRKIAUYTAAR-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH]ccc-2n1 ZINC001479596227 1392284684 /nfs/dbraw/zinc/28/46/84/1392284684.db2.gz VBCFNOSQIRJJCZ-DNVCBOLYSA-N 2 0 340.471 3.359 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001479637564 1392300506 /nfs/dbraw/zinc/30/05/06/1392300506.db2.gz VBNDCSOYKBLMON-ZCNNSNEGSA-N 2 0 347.547 3.329 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001480256748 1392640865 /nfs/dbraw/zinc/64/08/65/1392640865.db2.gz OBHOSUBFAJSBKF-LJQANCHMSA-N 2 0 349.563 3.413 10 30 EGEERP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001480330724 1392689904 /nfs/dbraw/zinc/68/99/04/1392689904.db2.gz JGZRSFPQTQCCOM-LJQANCHMSA-N 2 0 335.536 3.189 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001698938435 1406678090 /nfs/dbraw/zinc/67/80/90/1406678090.db2.gz NBNZBNYCSQKHKI-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001490768149 1394331280 /nfs/dbraw/zinc/33/12/80/1394331280.db2.gz JKWMEJCXHJULHI-UXHICEINSA-N 2 0 349.563 3.245 10 30 EGEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001481845016 1394555485 /nfs/dbraw/zinc/55/54/85/1394555485.db2.gz YNTHHXQZCLXHHG-HKUYNNGSSA-N 2 0 335.536 3.234 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483944626 1395155570 /nfs/dbraw/zinc/15/55/70/1395155570.db2.gz YUHMJLGFJGVPMY-VQTJNVASSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001491955591 1396300541 /nfs/dbraw/zinc/30/05/41/1396300541.db2.gz TZZLCMNKDLRWRU-HXUWFJFHSA-N 2 0 343.515 3.251 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001492172042 1396312172 /nfs/dbraw/zinc/31/21/72/1396312172.db2.gz UNZSOEZRLIJVGD-FQEVSTJZSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001690318856 1404477150 /nfs/dbraw/zinc/47/71/50/1404477150.db2.gz YXBXHZJNUXUHMS-UXHICEINSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)C[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001690493006 1404607333 /nfs/dbraw/zinc/60/73/33/1404607333.db2.gz XTPCXWUNOQVGRC-RTBURBONSA-N 2 0 349.563 3.386 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001690504440 1404617023 /nfs/dbraw/zinc/61/70/23/1404617023.db2.gz DINOUAPUPSWBJK-MOPGFXCFSA-N 2 0 349.563 3.269 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001691048177 1404961411 /nfs/dbraw/zinc/96/14/11/1404961411.db2.gz NBRGOIKMNDZGFI-SFHVURJKSA-N 2 0 335.536 3.138 10 30 EGEERP 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 1405793578 /nfs/dbraw/zinc/79/35/78/1405793578.db2.gz BMCRUGKWUOZUID-BHIYHBOVSA-N 2 0 349.563 3.146 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001692267624 1405898853 /nfs/dbraw/zinc/89/88/53/1405898853.db2.gz RGWHISNKNTZUQE-HSALFYBXSA-N 2 0 349.563 3.221 10 30 EGEERP C=CC[NH2+][C@H]1CCCCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001692325206 1405943970 /nfs/dbraw/zinc/94/39/70/1405943970.db2.gz CFKJPJICOLPFDP-SFHVURJKSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001732289994 1428516280 /nfs/dbraw/zinc/51/62/80/1428516280.db2.gz ZGQCFZSQQTUBMM-LAUBAEHRSA-N 2 0 347.547 3.092 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001732493563 1428615614 /nfs/dbraw/zinc/61/56/14/1428615614.db2.gz ODVRVINLXJUEKC-XLIONFOSSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001699513703 1412899897 /nfs/dbraw/zinc/89/98/97/1412899897.db2.gz XGOXJALVGFOBIJ-NVXWUHKLSA-N 2 0 349.544 3.264 10 30 EGEERP C=CC[N@@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CCCCCC1 ZINC001699684903 1413082758 /nfs/dbraw/zinc/08/27/58/1413082758.db2.gz XCAGBRDNJZQFFG-ROUUACIJSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001699714180 1413127254 /nfs/dbraw/zinc/12/72/54/1413127254.db2.gz BOGIQKICVFBUSK-ROUUACIJSA-N 2 0 347.547 3.138 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001699879750 1413345743 /nfs/dbraw/zinc/34/57/43/1413345743.db2.gz XISYWVYWHHKFMV-AZUAARDMSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001732546479 1428722619 /nfs/dbraw/zinc/72/26/19/1428722619.db2.gz DWIVOEIXDZPFDW-QWFCFKBJSA-N 2 0 349.563 3.242 10 30 EGEERP C=CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001732547009 1428723991 /nfs/dbraw/zinc/72/39/91/1428723991.db2.gz ZHCZFAQGJIFOCI-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001700089844 1413501027 /nfs/dbraw/zinc/50/10/27/1413501027.db2.gz GRARCEWEWSGGQV-HXUWFJFHSA-N 2 0 343.515 3.185 10 30 EGEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001700219541 1413665026 /nfs/dbraw/zinc/66/50/26/1413665026.db2.gz IOCAPIRZOWWGML-UHFFFAOYSA-N 2 0 349.544 3.360 10 30 EGEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001700283717 1413730370 /nfs/dbraw/zinc/73/03/70/1413730370.db2.gz LEIKSAXEDLWHIL-UHFFFAOYSA-N 2 0 343.515 3.299 10 30 EGEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001700356302 1413858927 /nfs/dbraw/zinc/85/89/27/1413858927.db2.gz GUVVWHHGDUEYND-WOJBJXKFSA-N 2 0 347.547 3.282 10 30 EGEERP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001700526032 1414187566 /nfs/dbraw/zinc/18/75/66/1414187566.db2.gz VPKAEMLMJNQYBA-GOSISDBHSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001700530926 1414197223 /nfs/dbraw/zinc/19/72/23/1414197223.db2.gz IJNSHAYNOFKIBM-LJQANCHMSA-N 2 0 335.536 3.189 10 30 EGEERP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001700638607 1414304782 /nfs/dbraw/zinc/30/47/82/1414304782.db2.gz HMOLORAIPQFHKA-BJLQDIEVSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001700725153 1414386350 /nfs/dbraw/zinc/38/63/50/1414386350.db2.gz QYVXBESAQQJUEG-LJQANCHMSA-N 2 0 340.471 3.049 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001700725200 1414386510 /nfs/dbraw/zinc/38/65/10/1414386510.db2.gz SDADPJVFUPQFNF-HKUYNNGSSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001700926997 1414580022 /nfs/dbraw/zinc/58/00/22/1414580022.db2.gz RYIHFDLMQPNYBA-OALUTQOASA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001707235870 1417256473 /nfs/dbraw/zinc/25/64/73/1417256473.db2.gz SFCPQWZJGJCYPM-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001707237042 1417257496 /nfs/dbraw/zinc/25/74/96/1417257496.db2.gz HTRYUFDZAUDDQU-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713131545 1417705746 /nfs/dbraw/zinc/70/57/46/1417705746.db2.gz HALAAKXCZMGTJN-AZUAARDMSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001713265381 1417873462 /nfs/dbraw/zinc/87/34/62/1417873462.db2.gz CYCXDJXOJUTZQQ-UFYCRDLUSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001713269434 1417878834 /nfs/dbraw/zinc/87/88/34/1417878834.db2.gz DFIGHALISVBODX-OALUTQOASA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001713592003 1418386135 /nfs/dbraw/zinc/38/61/35/1418386135.db2.gz FYNCYNBXSBWXIY-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713721143 1418494274 /nfs/dbraw/zinc/49/42/74/1418494274.db2.gz KNBWRAHEMHGEGS-HXUWFJFHSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713752300 1418553807 /nfs/dbraw/zinc/55/38/07/1418553807.db2.gz MDHVIZGBXKNOCR-RBUKOAKNSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001713848065 1418643524 /nfs/dbraw/zinc/64/35/24/1418643524.db2.gz RMMJLGZLOSGJAT-MSOLQXFVSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001713851639 1418647939 /nfs/dbraw/zinc/64/79/39/1418647939.db2.gz WMRXZRNQMGWQJX-QZTJIDSGSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001713855105 1418652200 /nfs/dbraw/zinc/65/22/00/1418652200.db2.gz NIHZXJUTQVEITE-MOPGFXCFSA-N 2 0 347.547 3.044 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001713933008 1418722722 /nfs/dbraw/zinc/72/27/22/1418722722.db2.gz FIVRGEUVKSYMDL-QYZOEREBSA-N 2 0 335.536 3.116 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001714327256 1419106473 /nfs/dbraw/zinc/10/64/73/1419106473.db2.gz QJUSTYVVXGHJPT-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714440159 1419171758 /nfs/dbraw/zinc/17/17/58/1419171758.db2.gz HLOYUXYPRDDNBO-SFHVURJKSA-N 2 0 340.471 3.145 10 30 EGEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001714507947 1419235348 /nfs/dbraw/zinc/23/53/48/1419235348.db2.gz URDQTLQBFHEKEU-GOSISDBHSA-N 2 0 335.536 3.236 10 30 EGEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001714914872 1419663962 /nfs/dbraw/zinc/66/39/62/1419663962.db2.gz ZQAKHIXCVPVFSX-VQTJNVASSA-N 2 0 349.563 3.243 10 30 EGEERP C=CC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CCCCC1 ZINC001714976659 1419711181 /nfs/dbraw/zinc/71/11/81/1419711181.db2.gz LEMXTMXAYCWYFW-LJQANCHMSA-N 2 0 349.563 3.339 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CCCCC1 ZINC001714977942 1419712861 /nfs/dbraw/zinc/71/28/61/1419712861.db2.gz PECBWJJWDIIWLT-VQTJNVASSA-N 2 0 349.563 3.339 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001715460675 1420140352 /nfs/dbraw/zinc/14/03/52/1420140352.db2.gz UKOPFLICXHRNMM-HXUWFJFHSA-N 2 0 343.515 3.299 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001733270143 1429432184 /nfs/dbraw/zinc/43/21/84/1429432184.db2.gz WGIFZBNUZARLQW-UXHICEINSA-N 2 0 347.547 3.142 10 30 EGEERP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001716513499 1420743866 /nfs/dbraw/zinc/74/38/66/1420743866.db2.gz CQFKTVDJLHRZLC-AEFFLSMTSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001716796712 1420929428 /nfs/dbraw/zinc/92/94/28/1420929428.db2.gz HJUAUSFJKHBYDC-KRWDZBQOSA-N 2 0 337.552 3.290 10 30 EGEERP C=CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001733277928 1429444493 /nfs/dbraw/zinc/44/44/93/1429444493.db2.gz JDDZMSCWKOPOBL-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001716876200 1421001985 /nfs/dbraw/zinc/00/19/85/1421001985.db2.gz PYJQKIITJVDHDW-ICSRJNTNSA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001717036604 1421090262 /nfs/dbraw/zinc/09/02/62/1421090262.db2.gz GBBZHFWBWULJMQ-XUVXKRRUSA-N 2 0 349.563 3.364 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001717218103 1421196217 /nfs/dbraw/zinc/19/62/17/1421196217.db2.gz ZDRLMMKZUZXQNM-UXHICEINSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)CCc3c[nH]cn3)C2)CC1 ZINC001733290112 1429468973 /nfs/dbraw/zinc/46/89/73/1429468973.db2.gz BNVZQFNEVLFTRL-KRWDZBQOSA-N 2 0 344.503 3.012 10 30 EGEERP 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 1421453226 /nfs/dbraw/zinc/45/32/26/1421453226.db2.gz ZNHOJBPVVIJXPH-GBESFXJTSA-N 2 0 337.552 3.146 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001717632179 1421542423 /nfs/dbraw/zinc/54/24/23/1421542423.db2.gz BYZGUDSZNVUXJJ-NRSPTQNISA-N 2 0 349.563 3.079 10 30 EGEERP C=CCCCCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001717841560 1421656768 /nfs/dbraw/zinc/65/67/68/1421656768.db2.gz SWSFRPLCTUFUFN-SFHLNBCPSA-N 2 0 347.547 3.188 10 30 EGEERP CCCCCCC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC001717895909 1421693666 /nfs/dbraw/zinc/69/36/66/1421693666.db2.gz WENNOSVTQMOPSX-KRWDZBQOSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCC[C@@H](C)[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001717950924 1421719807 /nfs/dbraw/zinc/71/98/07/1421719807.db2.gz ZIANOVJCBKVDEE-QYZOEREBSA-N 2 0 337.552 3.240 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001723726271 1424551213 /nfs/dbraw/zinc/55/12/13/1424551213.db2.gz FVFLTFSIWHUBDF-TZIWHRDSSA-N 2 0 347.547 3.142 10 30 EGEERP CCCCCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001724535860 1424898975 /nfs/dbraw/zinc/89/89/75/1424898975.db2.gz NFZJLJVFMATRAT-MOPGFXCFSA-N 2 0 349.563 3.412 10 30 EGEERP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001724600666 1424932066 /nfs/dbraw/zinc/93/20/66/1424932066.db2.gz CUHQXUIUFOQNTF-ACDBMABISA-N 2 0 347.547 3.044 10 30 EGEERP C#CCC[NH2+]C1(CC)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001724886354 1425270250 /nfs/dbraw/zinc/27/02/50/1425270250.db2.gz IGSBSXUUULRTIU-UHFFFAOYSA-N 2 0 347.547 3.024 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001725048121 1425479129 /nfs/dbraw/zinc/47/91/29/1425479129.db2.gz OZSPFFVBKPEXFI-OALUTQOASA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001725765929 1426448722 /nfs/dbraw/zinc/44/87/22/1426448722.db2.gz AXTUZVBDGVQXOK-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001731366091 1427298364 /nfs/dbraw/zinc/29/83/64/1427298364.db2.gz WMFGUVGILBCDDC-FQEVSTJZSA-N 2 0 347.547 3.282 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001731470532 1427450576 /nfs/dbraw/zinc/45/05/76/1427450576.db2.gz JLZNTWXMELJHHB-VQTJNVASSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731517516 1427505425 /nfs/dbraw/zinc/50/54/25/1427505425.db2.gz USRRZVFLNKGRNG-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001731826374 1428030397 /nfs/dbraw/zinc/03/03/97/1428030397.db2.gz CLCYJIGJFQDETJ-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001733687862 1429903568 /nfs/dbraw/zinc/90/35/68/1429903568.db2.gz VUWKKRRUTNENKY-GUDVDZBRSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001734088974 1437874003 /nfs/dbraw/zinc/87/40/03/1437874003.db2.gz SZRYFGJSFWFTQL-MJGOQNOKSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001734089740 1437874159 /nfs/dbraw/zinc/87/41/59/1437874159.db2.gz GTUJFDZPQHDSAU-QGZVFWFLSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001734456655 1438113896 /nfs/dbraw/zinc/11/38/96/1438113896.db2.gz HKDBOZSVLUAOAZ-QUCCMNQESA-N 2 0 349.563 3.434 10 30 EGEERP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248648792 308008576 /nfs/dbraw/zinc/00/85/76/308008576.db2.gz KEOBYEWCVZKTEA-PXNSSMCTSA-N 2 0 334.467 3.468 10 30 EGEERP C[C@H]1C[C@H](N(C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000154298605 454882163 /nfs/dbraw/zinc/88/21/63/454882163.db2.gz XNMSEQUQLSDRPM-GOEBONIOSA-N 2 0 340.389 3.351 10 30 EGEERP C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000151144042 454943706 /nfs/dbraw/zinc/94/37/06/454943706.db2.gz FBPMGYYTBMCDFW-OAHLLOKOSA-N 2 0 341.430 3.489 10 30 EGEERP N#C[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000248882399 455736635 /nfs/dbraw/zinc/73/66/35/455736635.db2.gz RTGXROFIXDCTRU-HLAWJBBLSA-N 2 0 341.499 3.104 10 30 EGEERP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000423296048 458430674 /nfs/dbraw/zinc/43/06/74/458430674.db2.gz YFZOBMWDZZBGEM-KRWDZBQOSA-N 2 0 348.494 3.332 10 30 EGEERP N#Cc1cccc(C2([NH2+]CCC[NH+]3CCCCC3)CCOCC2)c1 ZINC000595765673 459430926 /nfs/dbraw/zinc/43/09/26/459430926.db2.gz SRGLNJIOVDHMDZ-UHFFFAOYSA-N 2 0 327.472 3.030 10 30 EGEERP N#CC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCC1 ZINC000593650715 459942077 /nfs/dbraw/zinc/94/20/77/459942077.db2.gz YVNGMIAMQHFCJD-UHFFFAOYSA-N 2 0 327.472 3.335 10 30 EGEERP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1 ZINC000651678864 462299999 /nfs/dbraw/zinc/29/99/99/462299999.db2.gz GSGRDICBJCQZBD-PKOBYXMFSA-N 2 0 328.504 3.058 10 30 EGEERP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658142004 462405260 /nfs/dbraw/zinc/40/52/60/462405260.db2.gz YDSOOHPQZGCEGM-NJYVYQBISA-N 2 0 328.500 3.478 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000876733985 1298947405 /nfs/dbraw/zinc/94/74/05/1298947405.db2.gz MTACFWVSGJBXQG-QGZVFWFLSA-N 2 0 335.879 3.123 10 30 EGEERP C[C@H]1C[C@@H](N(C)Cc2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000929809311 1328707381 /nfs/dbraw/zinc/70/73/81/1328707381.db2.gz XJWDVSMVQAHKGQ-UWJYYQICSA-N 2 0 334.467 3.438 10 30 EGEERP CC1(C)[C@H]([NH2+]CCSCc2ccccc2C#N)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925620135 1325234996 /nfs/dbraw/zinc/23/49/96/1325234996.db2.gz DNOZPLNJXHUEAU-FGTMMUONSA-N 2 0 329.513 3.158 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001323860925 1387481670 /nfs/dbraw/zinc/48/16/70/1387481670.db2.gz YSRLWJJBHKBTAT-ICSRJNTNSA-N 2 0 337.552 3.221 10 30 EGEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001324905964 1387815494 /nfs/dbraw/zinc/81/54/94/1387815494.db2.gz YXVZTAQVVCEVLM-UHFFFAOYSA-N 2 0 335.536 3.047 10 30 EGEERP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001326480387 1388208571 /nfs/dbraw/zinc/20/85/71/1388208571.db2.gz MNNCDANHQOFTSZ-QZTJIDSGSA-N 2 0 343.515 3.404 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001326566649 1388241371 /nfs/dbraw/zinc/24/13/71/1388241371.db2.gz MOZLCUISNPVJKT-MUGJNUQGSA-N 2 0 349.563 3.480 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001265619564 1377155218 /nfs/dbraw/zinc/15/52/18/1377155218.db2.gz PBOPRKILZJNJGG-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3ccnc3)C2)C1 ZINC001277473189 1378226889 /nfs/dbraw/zinc/22/68/89/1378226889.db2.gz APQIYQOLENTMQJ-FQEVSTJZSA-N 2 0 346.519 3.168 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001327542591 1388556870 /nfs/dbraw/zinc/55/68/70/1388556870.db2.gz XKKZONQWMFLYJS-PZJWPPBQSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001328099729 1388671362 /nfs/dbraw/zinc/67/13/62/1388671362.db2.gz XVMOJRFMFYGYRR-MOPGFXCFSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001328268158 1388706355 /nfs/dbraw/zinc/70/63/55/1388706355.db2.gz RYRKRFBQSRKZBP-MSOLQXFVSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCCCC[NH+]1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001316934765 1384706608 /nfs/dbraw/zinc/70/66/08/1384706608.db2.gz VGJTYCCJBNWYFM-UHFFFAOYSA-N 2 0 335.536 3.140 10 30 EGEERP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001317085047 1384847304 /nfs/dbraw/zinc/84/73/04/1384847304.db2.gz DMOKYPVQOSDBTQ-CADBVGFASA-N 2 0 335.536 3.211 10 30 EGEERP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C[C@H](O)CC2(C#N)CCC2)CC1 ZINC001175360907 1385266435 /nfs/dbraw/zinc/26/64/35/1385266435.db2.gz CCIRIQRSYAHNDN-RTBURBONSA-N 2 0 333.520 3.018 10 30 EGEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001317880628 1385558943 /nfs/dbraw/zinc/55/89/43/1385558943.db2.gz ZFMBUGLIXDQMNO-VQTJNVASSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001319008620 1385922654 /nfs/dbraw/zinc/92/26/54/1385922654.db2.gz HFMADQDCINUWQV-IYBDPMFKSA-N 2 0 349.906 3.018 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001330644928 1389482034 /nfs/dbraw/zinc/48/20/34/1389482034.db2.gz VTIWDSCAHAJLTK-QWFCFKBJSA-N 2 0 347.547 3.234 10 30 EGEERP C=C(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001331200177 1389651668 /nfs/dbraw/zinc/65/16/68/1389651668.db2.gz QSHLGTFKSKTQFF-UYAOXDASSA-N 2 0 349.563 3.338 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001331438485 1389748346 /nfs/dbraw/zinc/74/83/46/1389748346.db2.gz HLAAUZYBXAKSNL-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001480103603 1392586842 /nfs/dbraw/zinc/58/68/42/1392586842.db2.gz VIWSOALHSPAJHN-AQNXPRMDSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001480319818 1392679830 /nfs/dbraw/zinc/67/98/30/1392679830.db2.gz RDKBLMAKEUWTMU-UXHICEINSA-N 2 0 347.547 3.330 10 30 EGEERP CCCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480345983 1392698349 /nfs/dbraw/zinc/69/83/49/1392698349.db2.gz PDXIHDAIKLBGHG-VQTJNVASSA-N 2 0 349.563 3.269 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001481434819 1394290491 /nfs/dbraw/zinc/29/04/91/1394290491.db2.gz FGXVVPBQCPYYBG-QUCCMNQESA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001491175080 1394459368 /nfs/dbraw/zinc/45/93/68/1394459368.db2.gz UBMFYHUPCDWTNS-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001481845019 1394555383 /nfs/dbraw/zinc/55/53/83/1394555383.db2.gz YNTHHXQZCLXHHG-PKOBYXMFSA-N 2 0 335.536 3.234 10 30 EGEERP C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001482001620 1394660683 /nfs/dbraw/zinc/66/06/83/1394660683.db2.gz NIOJXWSOSYWESS-SFHVURJKSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[NH+]1CCC2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001483837987 1395105113 /nfs/dbraw/zinc/10/51/13/1395105113.db2.gz UVKGATKBTKOOJP-UHFFFAOYSA-N 2 0 347.547 3.143 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001483845118 1395111952 /nfs/dbraw/zinc/11/19/52/1395111952.db2.gz GTDWQXPXGWOGTE-FQEVSTJZSA-N 2 0 349.563 3.223 10 30 EGEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001484122257 1395264549 /nfs/dbraw/zinc/26/45/49/1395264549.db2.gz QOKZLFQXALCFKQ-CTNGQTDRSA-N 2 0 343.515 3.084 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001484158764 1395294434 /nfs/dbraw/zinc/29/44/34/1395294434.db2.gz IFYJJIVXWYWYAK-ICSRJNTNSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001484397185 1395366849 /nfs/dbraw/zinc/36/68/49/1395366849.db2.gz BPJDARYWZDNLGN-UFYCRDLUSA-N 2 0 349.563 3.195 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001484715827 1395476039 /nfs/dbraw/zinc/47/60/39/1395476039.db2.gz XSKPWHBZWMTTGO-QGZVFWFLSA-N 2 0 349.544 3.360 10 30 EGEERP C=CCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001484891065 1395587766 /nfs/dbraw/zinc/58/77/66/1395587766.db2.gz CBSDANQRTOADND-WMZOPIPTSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[NH2+]CC1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC001485456115 1395926921 /nfs/dbraw/zinc/92/69/21/1395926921.db2.gz JCWPGBLCVQPOBA-UHFFFAOYSA-N 2 0 347.547 3.093 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001496350575 1396661167 /nfs/dbraw/zinc/66/11/67/1396661167.db2.gz KEUUBENRAPRUMC-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498480988 1397027633 /nfs/dbraw/zinc/02/76/33/1397027633.db2.gz ONJHZEXSVSOTFV-RBUKOAKNSA-N 2 0 349.563 3.482 10 30 EGEERP C=C(C)C[N@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001689951951 1404222953 /nfs/dbraw/zinc/22/29/53/1404222953.db2.gz OQDKTKBBVRUKCP-LJQANCHMSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001690215471 1404423091 /nfs/dbraw/zinc/42/30/91/1404423091.db2.gz REZMXFHRPBJEEJ-AQNXPRMDSA-N 2 0 347.547 3.282 10 30 EGEERP CCCCCCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001690533996 1404624588 /nfs/dbraw/zinc/62/45/88/1404624588.db2.gz FBXDYJCYPGDDAD-LWSMDNFKSA-N 2 0 337.552 3.314 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001691033771 1404943200 /nfs/dbraw/zinc/94/32/00/1404943200.db2.gz OBZDQYGPOSFMKD-GUDVDZBRSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001691620614 1405361632 /nfs/dbraw/zinc/36/16/32/1405361632.db2.gz MIRBSJZZPWXVAR-ROUUACIJSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691794299 1405505864 /nfs/dbraw/zinc/50/58/64/1405505864.db2.gz YBQUVFIENPCYMK-FQEVSTJZSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001691812233 1405524802 /nfs/dbraw/zinc/52/48/02/1405524802.db2.gz TXPABWXQAOEZFX-QYZOEREBSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001691889641 1405613619 /nfs/dbraw/zinc/61/36/19/1405613619.db2.gz DCRUOKSHZBKHTA-DLBZAZTESA-N 2 0 340.471 3.097 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001732272940 1428508511 /nfs/dbraw/zinc/50/85/11/1428508511.db2.gz DHMGXSLAPPBIIB-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CCCC1 ZINC001699798975 1413209564 /nfs/dbraw/zinc/20/95/64/1413209564.db2.gz MADHIJHYCGZTLZ-PMACEKPBSA-N 2 0 349.563 3.338 10 30 EGEERP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001699838098 1413266103 /nfs/dbraw/zinc/26/61/03/1413266103.db2.gz TZVVLZZNZMSFJM-LJQANCHMSA-N 2 0 349.544 3.218 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001732547012 1428723555 /nfs/dbraw/zinc/72/35/55/1428723555.db2.gz ZHCZFAQGJIFOCI-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001732547011 1428723490 /nfs/dbraw/zinc/72/34/90/1428723490.db2.gz ZHCZFAQGJIFOCI-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001700280255 1413725504 /nfs/dbraw/zinc/72/55/04/1413725504.db2.gz CWZVXKKZBZZPDM-UHFFFAOYSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001700281413 1413727158 /nfs/dbraw/zinc/72/71/58/1413727158.db2.gz WNQUVZITJTWCDJ-IBGZPJMESA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001700293608 1413751078 /nfs/dbraw/zinc/75/10/78/1413751078.db2.gz UFPARILCWQAONV-MSOLQXFVSA-N 2 0 337.552 3.290 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001700321388 1413787266 /nfs/dbraw/zinc/78/72/66/1413787266.db2.gz ZXLPXPZFVVGJAR-MJGOQNOKSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001700354733 1413853747 /nfs/dbraw/zinc/85/37/47/1413853747.db2.gz UUKNFOLDNJDRMQ-RBUKOAKNSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[NH+](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001700697990 1414357629 /nfs/dbraw/zinc/35/76/29/1414357629.db2.gz ONJCKUHXBTZKKU-FQEVSTJZSA-N 2 0 343.515 3.178 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001732630893 1428892803 /nfs/dbraw/zinc/89/28/03/1428892803.db2.gz NNZUHRMADPWNRJ-RTBURBONSA-N 2 0 349.563 3.339 10 30 EGEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001732893803 1429032125 /nfs/dbraw/zinc/03/21/25/1429032125.db2.gz WUQBMMGDLJWALY-OVKVCFKUSA-N 2 0 333.520 3.012 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001707244065 1417263523 /nfs/dbraw/zinc/26/35/23/1417263523.db2.gz IJTIAAWCTQACOH-IBGZPJMESA-N 2 0 335.536 3.189 10 30 EGEERP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001713096692 1417645918 /nfs/dbraw/zinc/64/59/18/1417645918.db2.gz DOFFHKDOUIMAHU-MOPGFXCFSA-N 2 0 349.563 3.269 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001713592000 1418385779 /nfs/dbraw/zinc/38/57/79/1418385779.db2.gz FYNCYNBXSBWXIY-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713720225 1418491545 /nfs/dbraw/zinc/49/15/45/1418491545.db2.gz QTIHQJPYAFTNFF-RTBURBONSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713898515 1418698207 /nfs/dbraw/zinc/69/82/07/1418698207.db2.gz ZCRRHKBMWARLCR-SFHVURJKSA-N 2 0 337.552 3.101 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001714153477 1418960999 /nfs/dbraw/zinc/96/09/99/1418960999.db2.gz IAILLMIFXUKORZ-QUCCMNQESA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001714158286 1418968743 /nfs/dbraw/zinc/96/87/43/1418968743.db2.gz YHSYFDQJIBXMMT-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001714209618 1419009871 /nfs/dbraw/zinc/00/98/71/1419009871.db2.gz CLXLXRQABNMIGT-MRXNPFEDSA-N 2 0 349.544 3.218 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001714291323 1419070385 /nfs/dbraw/zinc/07/03/85/1419070385.db2.gz QWZSMRJTPHOLGX-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001714622132 1419389870 /nfs/dbraw/zinc/38/98/70/1419389870.db2.gz KVPUPXOYCVFBPX-XLIONFOSSA-N 2 0 343.515 3.297 10 30 EGEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC001714972915 1419707594 /nfs/dbraw/zinc/70/75/94/1419707594.db2.gz AJUXQRMEEHJCDD-PMACEKPBSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC001714978581 1419713111 /nfs/dbraw/zinc/71/31/11/1419713111.db2.gz RIOKTQDHAMYPNC-RTBURBONSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001715181958 1419916106 /nfs/dbraw/zinc/91/61/06/1419916106.db2.gz GGLPEMSWSCMGEI-MUGJNUQGSA-N 2 0 349.563 3.479 10 30 EGEERP C=CCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001733269788 1429431573 /nfs/dbraw/zinc/43/15/73/1429431573.db2.gz RPKKGIYMWOFBND-RBUKOAKNSA-N 2 0 349.563 3.243 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001733274974 1429437798 /nfs/dbraw/zinc/43/77/98/1429437798.db2.gz QZVVVDJLDXYPES-ZCNNSNEGSA-N 2 0 349.563 3.364 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001717039289 1421093520 /nfs/dbraw/zinc/09/35/20/1421093520.db2.gz XJDCTALBJMILIP-PMACEKPBSA-N 2 0 347.547 3.284 10 30 EGEERP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001717304338 1421246091 /nfs/dbraw/zinc/24/60/91/1421246091.db2.gz BQCJSCWUGGMDIB-IBGZPJMESA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001717308391 1421250614 /nfs/dbraw/zinc/25/06/14/1421250614.db2.gz RDKUDIUONJKCJJ-SFHVURJKSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001733292793 1429472452 /nfs/dbraw/zinc/47/24/52/1429472452.db2.gz NCZAUGGDHZPMEG-UHFFFAOYSA-N 2 0 347.547 3.143 10 30 EGEERP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001717454004 1421383281 /nfs/dbraw/zinc/38/32/81/1421383281.db2.gz LNZLPWDFSNHXIC-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001717454003 1421383326 /nfs/dbraw/zinc/38/33/26/1421383326.db2.gz LNZLPWDFSNHXIC-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001717627008 1421535670 /nfs/dbraw/zinc/53/56/70/1421535670.db2.gz KWEVXGNJFAZPQS-ZCNNSNEGSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001717702545 1421575807 /nfs/dbraw/zinc/57/58/07/1421575807.db2.gz ZPFHXMOSWYPWAL-ROUUACIJSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001717702546 1421575863 /nfs/dbraw/zinc/57/58/63/1421575863.db2.gz ZPFHXMOSWYPWAL-ZWKOTPCHSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCCCCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC001717841562 1421656740 /nfs/dbraw/zinc/65/67/40/1421656740.db2.gz SWSFRPLCTUFUFN-SVFBPWRDSA-N 2 0 347.547 3.188 10 30 EGEERP CCCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001717898801 1421695888 /nfs/dbraw/zinc/69/58/88/1421695888.db2.gz DKDFFSVWVYDYOO-ROUUACIJSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001717968675 1421740149 /nfs/dbraw/zinc/74/01/49/1421740149.db2.gz FMEFGLUBOZDYCF-ZWKOTPCHSA-N 2 0 337.552 3.338 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001733448694 1429659618 /nfs/dbraw/zinc/65/96/18/1429659618.db2.gz PHCMCHBBZLSJCA-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001722944277 1424270820 /nfs/dbraw/zinc/27/08/20/1424270820.db2.gz LKMPKURTUYXCJN-ZWKOTPCHSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001723649357 1424514800 /nfs/dbraw/zinc/51/48/00/1424514800.db2.gz MPAFJSPLZBBOEI-UHFFFAOYSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001724530227 1424896913 /nfs/dbraw/zinc/89/69/13/1424896913.db2.gz GZOPTGXLAPBCNE-JKSUJKDBSA-N 2 0 349.544 3.216 10 30 EGEERP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001733566754 1429768780 /nfs/dbraw/zinc/76/87/80/1429768780.db2.gz NQQXHAWXSVNLPY-WGSAOQKQSA-N 2 0 349.563 3.339 10 30 EGEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001724747239 1425116310 /nfs/dbraw/zinc/11/63/10/1425116310.db2.gz OKTKLJOHUADGGQ-GOSISDBHSA-N 2 0 343.515 3.406 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001724761353 1425132550 /nfs/dbraw/zinc/13/25/50/1425132550.db2.gz VRAZSKVCFFOXNC-OALUTQOASA-N 2 0 349.563 3.386 10 30 EGEERP CCCCCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001724890405 1425276478 /nfs/dbraw/zinc/27/64/78/1425276478.db2.gz BDYZOWVGRLAEJJ-SFHVURJKSA-N 2 0 337.552 3.269 10 30 EGEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001725025817 1425444676 /nfs/dbraw/zinc/44/46/76/1425444676.db2.gz JHEOTPLVJYYPQQ-HXUWFJFHSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCCCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC001725286455 1425926507 /nfs/dbraw/zinc/92/65/07/1425926507.db2.gz RISMXTRFOWGZRW-OTWHNJEPSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001725642664 1426322272 /nfs/dbraw/zinc/32/22/72/1426322272.db2.gz WKTNMUXVZLBTHO-ROUUACIJSA-N 2 0 349.563 3.480 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001725769597 1426453816 /nfs/dbraw/zinc/45/38/16/1426453816.db2.gz JSMRTBSPKXCZIE-AOIWGVFYSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731537038 1427536441 /nfs/dbraw/zinc/53/64/41/1427536441.db2.gz QKHLXMNDLMGXEG-GOSISDBHSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733598364 1429797618 /nfs/dbraw/zinc/79/76/18/1429797618.db2.gz LBKPSIUKEPPZFD-MOPGFXCFSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001733607624 1429825308 /nfs/dbraw/zinc/82/53/08/1429825308.db2.gz TZOSJGUDXAWCTO-WOJBJXKFSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001733686153 1429902394 /nfs/dbraw/zinc/90/23/94/1429902394.db2.gz IWFCBBTVBNQUPL-GUDVDZBRSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001733783018 1430050969 /nfs/dbraw/zinc/05/09/69/1430050969.db2.gz UWNPFHIQSVNDES-WOJBJXKFSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001734128879 1437906601 /nfs/dbraw/zinc/90/66/01/1437906601.db2.gz BAJPYLZKVRKFGO-IAGOWNOFSA-N 2 0 343.515 3.153 10 30 EGEERP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001734195000 1437936209 /nfs/dbraw/zinc/93/62/09/1437936209.db2.gz VAISCRJYCIMQRB-ZCNNSNEGSA-N 2 0 347.547 3.045 10 30 EGEERP CCCCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001734426338 1438091769 /nfs/dbraw/zinc/09/17/69/1438091769.db2.gz OWAHBTMEVVLVSW-OALUTQOASA-N 2 0 337.552 3.268 10 30 EGEERP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@@H]21 ZINC001734441127 1438103071 /nfs/dbraw/zinc/10/30/71/1438103071.db2.gz BVKRBTWQXAVVRU-YSIASYRMSA-N 2 0 347.547 3.044 10 30 EGEERP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cc2)C1 ZINC000600716559 460576773 /nfs/dbraw/zinc/57/67/73/460576773.db2.gz HEXHBDJSAGPUPH-XLIONFOSSA-N 2 0 341.499 3.063 10 30 EGEERP N#Cc1ccc(C[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000075602891 453910080 /nfs/dbraw/zinc/91/00/80/453910080.db2.gz AYKHGCIEFOMICT-QFIPXVFZSA-N 2 0 349.478 3.093 10 30 EGEERP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000280687854 456031652 /nfs/dbraw/zinc/03/16/52/456031652.db2.gz ASOHJUOFNZQYSH-WLRLJWMZSA-N 2 0 328.500 3.468 10 30 EGEERP C=CCc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc(OC)c1O ZINC000415054139 458327635 /nfs/dbraw/zinc/32/76/35/458327635.db2.gz PLMVPHRCCMBXJH-ZWKOTPCHSA-N 2 0 330.472 3.093 10 30 EGEERP COCCC[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594501841 459065213 /nfs/dbraw/zinc/06/52/13/459065213.db2.gz DBLUYNBBYPSOIH-UHFFFAOYSA-N 2 0 329.488 3.078 10 30 EGEERP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594924556 459178259 /nfs/dbraw/zinc/17/82/59/459178259.db2.gz JTFZBVVZTZSYBJ-UHFFFAOYSA-N 2 0 349.478 3.472 10 30 EGEERP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594441643 460221905 /nfs/dbraw/zinc/22/19/05/460221905.db2.gz UBAGXRKGSFJBAL-VQIMIIECSA-N 2 0 342.487 3.268 10 30 EGEERP C=C(C)CN1CCC([NH2+]Cc2ccc(OC)c(OC3CC3)c2)CC1 ZINC000623407796 460532224 /nfs/dbraw/zinc/53/22/24/460532224.db2.gz XJJKLQOINGNTGX-UHFFFAOYSA-N 2 0 330.472 3.367 10 30 EGEERP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC2CCCCC2)[C@@H]1c1cccs1 ZINC000095963353 1292946552 /nfs/dbraw/zinc/94/65/52/1292946552.db2.gz JYOLFIDLWONDII-WMLDXEAASA-N 2 0 334.533 3.368 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000876719774 1298935619 /nfs/dbraw/zinc/93/56/19/1298935619.db2.gz VEFWXJMDKNBHOF-CRAIPNDOSA-N 2 0 349.906 3.147 10 30 EGEERP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1Cc2ccccc2O1 ZINC000883171665 1302283423 /nfs/dbraw/zinc/28/34/23/1302283423.db2.gz FDALPAONBOWTTQ-NBHGPNQESA-N 2 0 326.484 3.399 10 30 EGEERP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000921495657 1322328924 /nfs/dbraw/zinc/32/89/24/1322328924.db2.gz FXDWEQPEOAHZFQ-UHFFFAOYSA-N 2 0 349.478 3.297 10 30 EGEERP C=CCc1cc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc(OC)c1O ZINC000865765944 1329736568 /nfs/dbraw/zinc/73/65/68/1329736568.db2.gz TZAMKBYDIFJEQP-UHFFFAOYSA-N 2 0 332.488 3.482 10 30 EGEERP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801663 1331199740 /nfs/dbraw/zinc/19/97/40/1331199740.db2.gz WEXGOEXUTPCXRC-RTBURBONSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801661 1331199895 /nfs/dbraw/zinc/19/98/95/1331199895.db2.gz WEXGOEXUTPCXRC-OALUTQOASA-N 2 0 347.547 3.186 10 30 EGEERP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000941243745 1331409296 /nfs/dbraw/zinc/40/92/96/1331409296.db2.gz FBTSGHPMLGEQPZ-SFHVURJKSA-N 2 0 347.503 3.138 10 30 EGEERP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000941243744 1331409709 /nfs/dbraw/zinc/40/97/09/1331409709.db2.gz FBTSGHPMLGEQPZ-GOSISDBHSA-N 2 0 347.503 3.138 10 30 EGEERP C=CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001325428847 1387970731 /nfs/dbraw/zinc/97/07/31/1387970731.db2.gz NWPBKRJISFXDKS-OALUTQOASA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001325662883 1388024194 /nfs/dbraw/zinc/02/41/94/1388024194.db2.gz SVFZLWBSMCTWTH-VAMGGRTRSA-N 2 0 349.563 3.195 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001326469244 1388205327 /nfs/dbraw/zinc/20/53/27/1388205327.db2.gz SDGFMLLPTCQINZ-QGZVFWFLSA-N 2 0 343.515 3.404 10 30 EGEERP C=CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(C(C)C)cc1 ZINC001267516162 1377450697 /nfs/dbraw/zinc/45/06/97/1377450697.db2.gz AFWACPSDISWDOB-YLJYHZDGSA-N 2 0 343.515 3.085 10 30 EGEERP C=CCCC[NH2+]C1(CC)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001327494261 1388535799 /nfs/dbraw/zinc/53/57/99/1388535799.db2.gz ZKCSPIDKSHEALM-HDICACEKSA-N 2 0 335.536 3.186 10 30 EGEERP CCCCCCC[N@H+](C)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001283332084 1378814607 /nfs/dbraw/zinc/81/46/07/1378814607.db2.gz PCRXNGPYENLOTM-GOSISDBHSA-N 2 0 337.552 3.221 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001283435170 1378927049 /nfs/dbraw/zinc/92/70/49/1378927049.db2.gz VJSBTOFXYWBNDL-MISYRCLQSA-N 2 0 343.515 3.130 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001328068528 1388660369 /nfs/dbraw/zinc/66/03/69/1388660369.db2.gz RICMHYZUFVBJAX-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001328588896 1388784404 /nfs/dbraw/zinc/78/44/04/1388784404.db2.gz OYIUCYPSLWYOQO-QUCCMNQESA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317039788 1384812724 /nfs/dbraw/zinc/81/27/24/1384812724.db2.gz UWPCIGYMFYXKFC-LJQANCHMSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001317173894 1384942943 /nfs/dbraw/zinc/94/29/43/1384942943.db2.gz PQHJRHYLDIVEMW-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317301021 1385069501 /nfs/dbraw/zinc/06/95/01/1385069501.db2.gz PWRLFIAXOPNNNI-AZUAARDMSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001317677764 1385385450 /nfs/dbraw/zinc/38/54/50/1385385450.db2.gz UQYUWNPOYHAOJF-HNNXBMFYSA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001319774114 1386290910 /nfs/dbraw/zinc/29/09/10/1386290910.db2.gz GRIXUHIUVKCJBF-FHWLQOOXSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001698704694 1406346726 /nfs/dbraw/zinc/34/67/26/1406346726.db2.gz XTZDCZFLBIJWPK-UYAOXDASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001329954717 1389272999 /nfs/dbraw/zinc/27/29/99/1389272999.db2.gz UXUDGSKVGNEXHS-VQTJNVASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001333015795 1390236880 /nfs/dbraw/zinc/23/68/80/1390236880.db2.gz UZLASIDIYWFXOI-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001479635066 1392298906 /nfs/dbraw/zinc/29/89/06/1392298906.db2.gz UJOKWYHGYKNKQC-ZWKOTPCHSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001479737659 1392349839 /nfs/dbraw/zinc/34/98/39/1392349839.db2.gz KXMZRQWEBNVPKM-SFHVURJKSA-N 2 0 337.552 3.243 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001480138657 1392598646 /nfs/dbraw/zinc/59/86/46/1392598646.db2.gz KUJMRUKMZWSMOH-RDGPPVDQSA-N 2 0 347.547 3.233 10 30 EGEERP C=CCC[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001480324410 1392684632 /nfs/dbraw/zinc/68/46/32/1392684632.db2.gz QNYTZGWHXAYHAR-IBGZPJMESA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001480723370 1392885224 /nfs/dbraw/zinc/88/52/24/1392885224.db2.gz CDZVNRQDSLOSPV-AZUAARDMSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001490606836 1394279915 /nfs/dbraw/zinc/27/99/15/1394279915.db2.gz AVZDTXBQAGKFEQ-RTBURBONSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001490980509 1394390386 /nfs/dbraw/zinc/39/03/86/1394390386.db2.gz DVRQCMZQEPSMOO-RBUKOAKNSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481733931 1394482435 /nfs/dbraw/zinc/48/24/35/1394482435.db2.gz BZQZFHYPKKMRLW-SFHVURJKSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001484562660 1395448456 /nfs/dbraw/zinc/44/84/56/1395448456.db2.gz FUCHZGGNINYDRW-QGZVFWFLSA-N 2 0 343.515 3.261 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001484716251 1395477259 /nfs/dbraw/zinc/47/72/59/1395477259.db2.gz GOJOUNHLTFWYBI-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[NH2+]C1(CC)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001484819231 1395552417 /nfs/dbraw/zinc/55/24/17/1395552417.db2.gz LUCCSTKVPKVSQN-UHFFFAOYSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001484829367 1395567049 /nfs/dbraw/zinc/56/70/49/1395567049.db2.gz IJZIAKRPPYIQAE-NRFANRHFSA-N 2 0 347.547 3.143 10 30 EGEERP C=CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001485435717 1395902980 /nfs/dbraw/zinc/90/29/80/1395902980.db2.gz ZBMWAGYRNBBTQK-AZUAARDMSA-N 2 0 349.563 3.290 10 30 EGEERP C=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CCCCCC)CC2)CC1 ZINC001503763437 1396267971 /nfs/dbraw/zinc/26/79/71/1396267971.db2.gz AADMGCRXUOXGHQ-UHFFFAOYSA-N 2 0 349.563 3.389 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001496350574 1396661018 /nfs/dbraw/zinc/66/10/18/1396661018.db2.gz KEUUBENRAPRUMC-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001699027540 1406863880 /nfs/dbraw/zinc/86/38/80/1406863880.db2.gz IONWWUNHHDRXPY-PKOBYXMFSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCC[NH+]1CCC(N(CCC)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001690136992 1404335421 /nfs/dbraw/zinc/33/54/21/1404335421.db2.gz XZWDIXWEKBSWOH-UHFFFAOYSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001691692501 1405427110 /nfs/dbraw/zinc/42/71/10/1405427110.db2.gz PQRHCADIOHACTB-QUCCMNQESA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001732004157 1428216068 /nfs/dbraw/zinc/21/60/68/1428216068.db2.gz NYUYIUSAPNRDII-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001691765274 1405478443 /nfs/dbraw/zinc/47/84/43/1405478443.db2.gz NKGVSACHQSZELC-CEXWTWQISA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001691793829 1405504031 /nfs/dbraw/zinc/50/40/31/1405504031.db2.gz DGFJBBAEOVSNLV-MOPGFXCFSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001691823572 1405539399 /nfs/dbraw/zinc/53/93/99/1405539399.db2.gz SWKQHSRGQIFCEU-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1CC ZINC001691976324 1405690717 /nfs/dbraw/zinc/69/07/17/1405690717.db2.gz PICGFSOJTKYGGD-AKHDSKFASA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001692124763 1405786052 /nfs/dbraw/zinc/78/60/52/1405786052.db2.gz PPLFDGAZKZGUOM-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001692208411 1405844849 /nfs/dbraw/zinc/84/48/49/1405844849.db2.gz LFDSLMCLMIHVFH-MJGOQNOKSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001692318755 1405937798 /nfs/dbraw/zinc/93/77/98/1405937798.db2.gz IAOUYDLWVFOFIH-CEXWTWQISA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001692325432 1405943853 /nfs/dbraw/zinc/94/38/53/1405943853.db2.gz FTBXMVIFTAHLQS-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001732017670 1428233703 /nfs/dbraw/zinc/23/37/03/1428233703.db2.gz NEUSFIIAIAWTHC-VQTJNVASSA-N 2 0 343.515 3.227 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001698587296 1406204957 /nfs/dbraw/zinc/20/49/57/1406204957.db2.gz VBEPLXBNNJHNPR-UFYCRDLUSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001732323458 1428532601 /nfs/dbraw/zinc/53/26/01/1428532601.db2.gz QLIKBZAOGDIBRA-FQEVSTJZSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCCC1 ZINC001732394330 1428562315 /nfs/dbraw/zinc/56/23/15/1428562315.db2.gz SQOAXHWPAWRBPL-UHFFFAOYSA-N 2 0 349.563 3.483 10 30 EGEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001699605361 1412969321 /nfs/dbraw/zinc/96/93/21/1412969321.db2.gz NRICAYRVTPRSPG-ICSRJNTNSA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001700011069 1413453339 /nfs/dbraw/zinc/45/33/39/1413453339.db2.gz GJEXDFUBNSJHLE-FHWLQOOXSA-N 2 0 337.552 3.362 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001700199465 1413642162 /nfs/dbraw/zinc/64/21/62/1413642162.db2.gz WIVLMFXYIMUVLD-WOJBJXKFSA-N 2 0 349.563 3.388 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001700313024 1413767357 /nfs/dbraw/zinc/76/73/57/1413767357.db2.gz FASISSXLIOFYMX-ROUUACIJSA-N 2 0 337.552 3.410 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001700466279 1414073901 /nfs/dbraw/zinc/07/39/01/1414073901.db2.gz LITPVGQIUIXMRB-CABCVRRESA-N 2 0 328.460 3.048 10 30 EGEERP C=C(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001700712069 1414368818 /nfs/dbraw/zinc/36/88/18/1414368818.db2.gz HFLLRFAODCXVGG-UXHICEINSA-N 2 0 349.563 3.480 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001700725202 1414386444 /nfs/dbraw/zinc/38/64/44/1414386444.db2.gz SDADPJVFUPQFNF-MJGOQNOKSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001732792517 1428973448 /nfs/dbraw/zinc/97/34/48/1428973448.db2.gz ZFLQOEQLEOXBLT-IBGZPJMESA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001733037034 1429162496 /nfs/dbraw/zinc/16/24/96/1429162496.db2.gz CGKASUWPJOXIST-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001707242819 1417262694 /nfs/dbraw/zinc/26/26/94/1417262694.db2.gz WYHGKNRJKWWTKX-VQTJNVASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001713364962 1417977729 /nfs/dbraw/zinc/97/77/29/1417977729.db2.gz ZYVMEAGLKAKHPV-IEBWSBKVSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713394950 1418010307 /nfs/dbraw/zinc/01/03/07/1418010307.db2.gz ZCDPZAROBDVQQD-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713786816 1418603267 /nfs/dbraw/zinc/60/32/67/1418603267.db2.gz ZFMIIBHXZRMKJP-GOSISDBHSA-N 2 0 337.552 3.412 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001714307530 1419087917 /nfs/dbraw/zinc/08/79/17/1419087917.db2.gz IBPDFCGDFIHNEG-BZSNNMDCSA-N 2 0 337.552 3.336 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001714356786 1419120642 /nfs/dbraw/zinc/12/06/42/1419120642.db2.gz GJCMPWLCBKPCRD-RTBURBONSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001714365418 1419125311 /nfs/dbraw/zinc/12/53/11/1419125311.db2.gz GKIYVCAFQYOWQF-GOSISDBHSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001714525332 1419251814 /nfs/dbraw/zinc/25/18/14/1419251814.db2.gz VKVOPJGSPUQAQN-GBESFXJTSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001715179252 1419914241 /nfs/dbraw/zinc/91/42/41/1419914241.db2.gz XUWPIBCLLQOUNG-IBGZPJMESA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001715181959 1419916143 /nfs/dbraw/zinc/91/61/43/1419916143.db2.gz GGLPEMSWSCMGEI-UAFMIMERSA-N 2 0 349.563 3.479 10 30 EGEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715437995 1420123421 /nfs/dbraw/zinc/12/34/21/1420123421.db2.gz SCGZLMNNGSKOMC-ICSRJNTNSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001715443029 1420128132 /nfs/dbraw/zinc/12/81/32/1420128132.db2.gz GQWWEURFUFBERE-PMACEKPBSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001715485712 1420166593 /nfs/dbraw/zinc/16/65/93/1420166593.db2.gz YHIUYHIUKNUHCJ-ICSRJNTNSA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001716053725 1420518381 /nfs/dbraw/zinc/51/83/81/1420518381.db2.gz LLAKYNSBSDUFHX-OALUTQOASA-N 2 0 337.552 3.220 10 30 EGEERP C=C(C)CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CCCCCC1 ZINC001716713846 1420867922 /nfs/dbraw/zinc/86/79/22/1420867922.db2.gz ZGRJVQNLSSYBRD-LJQANCHMSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001716797418 1420930376 /nfs/dbraw/zinc/93/03/76/1420930376.db2.gz VOOXEPRGTTYGTE-BZSNNMDCSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001717117726 1421122156 /nfs/dbraw/zinc/12/21/56/1421122156.db2.gz BEBLANNXNCEFLT-SFHVURJKSA-N 2 0 343.515 3.261 10 30 EGEERP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001717454002 1421383297 /nfs/dbraw/zinc/38/32/97/1421383297.db2.gz LNZLPWDFSNHXIC-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001717583052 1421509530 /nfs/dbraw/zinc/50/95/30/1421509530.db2.gz VNRZOKCRPFPASZ-GOSISDBHSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001717669037 1421558754 /nfs/dbraw/zinc/55/87/54/1421558754.db2.gz NQAMLTRBDHYSHU-ROUUACIJSA-N 2 0 335.536 3.092 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001717800755 1421629628 /nfs/dbraw/zinc/62/96/28/1421629628.db2.gz HJWJFQUNMHZQAI-RBUKOAKNSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001733419160 1429624196 /nfs/dbraw/zinc/62/41/96/1429624196.db2.gz TYBXEXVLTNWJBI-NRFANRHFSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001723640321 1424506487 /nfs/dbraw/zinc/50/64/87/1424506487.db2.gz MSCIIYCBBYUQGZ-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001723718486 1424544615 /nfs/dbraw/zinc/54/46/15/1424544615.db2.gz KQSLYFIQLVTFNU-FQEVSTJZSA-N 2 0 349.563 3.366 10 30 EGEERP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724324487 1424813229 /nfs/dbraw/zinc/81/32/29/1424813229.db2.gz QMWQWXNJMDMJSW-HXUWFJFHSA-N 2 0 347.547 3.047 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724330364 1424824095 /nfs/dbraw/zinc/82/40/95/1424824095.db2.gz NXBDDFAWQIEMSK-WIYYLYMNSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001724334191 1424827918 /nfs/dbraw/zinc/82/79/18/1424827918.db2.gz SZQBHTFYBCVJBN-FQEVSTJZSA-N 2 0 337.552 3.149 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001724657577 1425025119 /nfs/dbraw/zinc/02/51/19/1425025119.db2.gz ZPLWOZIHTINDEW-WTGUMLROSA-N 2 0 349.563 3.362 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001733569038 1429772289 /nfs/dbraw/zinc/77/22/89/1429772289.db2.gz ARCCKGAEDYZFBX-MUGJNUQGSA-N 2 0 347.547 3.092 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001724745462 1425114272 /nfs/dbraw/zinc/11/42/72/1425114272.db2.gz IUUCFNOKFHPZPI-PXNSSMCTSA-N 2 0 343.515 3.404 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001731295578 1427237890 /nfs/dbraw/zinc/23/78/90/1427237890.db2.gz FQBGCVZGGNCSJP-FXAWDEMLSA-N 2 0 343.515 3.297 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001731296601 1427239631 /nfs/dbraw/zinc/23/96/31/1427239631.db2.gz YGWKIULKGYTZHQ-HKUYNNGSSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731418311 1427392198 /nfs/dbraw/zinc/39/21/98/1427392198.db2.gz VIAVPHPRUXOVOQ-RBUKOAKNSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001731542141 1427552928 /nfs/dbraw/zinc/55/29/28/1427552928.db2.gz DXRWZPBJHLQIHO-MOPGFXCFSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733598365 1429798216 /nfs/dbraw/zinc/79/82/16/1429798216.db2.gz LBKPSIUKEPPZFD-OALUTQOASA-N 2 0 347.547 3.282 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001733689236 1429905706 /nfs/dbraw/zinc/90/57/06/1429905706.db2.gz LEBKQNJSVCULFN-UFYCRDLUSA-N 2 0 349.563 3.339 10 30 EGEERP C=CCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001733783059 1430050615 /nfs/dbraw/zinc/05/06/15/1430050615.db2.gz VSRWUKKXXWRJPL-VQTJNVASSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCC[NH2+]C1(CC)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001733809717 1430085963 /nfs/dbraw/zinc/08/59/63/1430085963.db2.gz RDGWKGQRDDRDRN-UHFFFAOYSA-N 2 0 343.515 3.299 10 30 EGEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC001733875067 1437701301 /nfs/dbraw/zinc/70/13/01/1437701301.db2.gz HDLIISQMDOYPMF-RBUKOAKNSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001734105428 1437891710 /nfs/dbraw/zinc/89/17/10/1437891710.db2.gz FRPOELMLFFWDRL-WOJBJXKFSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)C(C)(C)C ZINC001734562632 1438159498 /nfs/dbraw/zinc/15/94/98/1438159498.db2.gz CVILWHIFONGFOI-SFHVURJKSA-N 2 0 342.487 3.343 10 30 EGEERP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001734587104 1438176968 /nfs/dbraw/zinc/17/69/68/1438176968.db2.gz GPHFPHRXWLQPIL-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP CN(c1ccccc1C[NH2+][C@H]1CC[C@@H](CC#N)C1)C1CC[NH+](C)CC1 ZINC000295124255 455839568 /nfs/dbraw/zinc/83/95/68/455839568.db2.gz XBBRLXCULPIHOO-HKUYNNGSSA-N 2 0 340.515 3.389 10 30 EGEERP C=CCN1CCC([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449120659 458420649 /nfs/dbraw/zinc/42/06/49/458420649.db2.gz FAWHTYSFBJJXCZ-IBGZPJMESA-N 2 0 341.543 3.322 10 30 EGEERP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000423296045 458430636 /nfs/dbraw/zinc/43/06/36/458430636.db2.gz YFWPQVRZKKTYME-INIZCTEOSA-N 2 0 334.467 3.337 10 30 EGEERP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000595048330 459228011 /nfs/dbraw/zinc/22/80/11/459228011.db2.gz KDFHZTNZTYGIBI-NRFANRHFSA-N 2 0 339.483 3.026 10 30 EGEERP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000568888765 459361557 /nfs/dbraw/zinc/36/15/57/459361557.db2.gz CQJQXEJGIMGRIE-UHFFFAOYSA-N 2 0 330.432 3.019 10 30 EGEERP Cc1nc2[nH]ccc2c(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593514943 459913017 /nfs/dbraw/zinc/91/30/17/459913017.db2.gz HFECDIWGNSPGNJ-UHFFFAOYSA-N 2 0 346.438 3.215 10 30 EGEERP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000598715696 460002885 /nfs/dbraw/zinc/00/28/85/460002885.db2.gz SGZULMODFUHNRO-IBGZPJMESA-N 2 0 329.488 3.063 10 30 EGEERP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000651663450 462294962 /nfs/dbraw/zinc/29/49/62/462294962.db2.gz LKMABFANCNXXPD-NRSPTQNISA-N 2 0 327.516 3.310 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000876720046 1298939209 /nfs/dbraw/zinc/93/92/09/1298939209.db2.gz ZQRALMYVAOILCC-KBXCAEBGSA-N 2 0 349.906 3.005 10 30 EGEERP C#CCC1(O)CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000880482292 1301138998 /nfs/dbraw/zinc/13/89/98/1301138998.db2.gz DMAYGUMSUDKIKI-UHFFFAOYSA-N 2 0 326.484 3.023 10 30 EGEERP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973094 1331282093 /nfs/dbraw/zinc/28/20/93/1331282093.db2.gz RPEZREZYSABICL-MOPGFXCFSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001323871177 1387483539 /nfs/dbraw/zinc/48/35/39/1387483539.db2.gz ARYIOGYXIVIWHP-FPOVZHCZSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001324893846 1387808990 /nfs/dbraw/zinc/80/89/90/1387808990.db2.gz XZPYFULJLQCGSF-IBGZPJMESA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001325476732 1387987311 /nfs/dbraw/zinc/98/73/11/1387987311.db2.gz QLWQMRFAPCCBRE-IRXDYDNUSA-N 2 0 347.503 3.138 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001326566653 1388241625 /nfs/dbraw/zinc/24/16/25/1388241625.db2.gz MOZLCUISNPVJKT-WTGUMLROSA-N 2 0 349.563 3.480 10 30 EGEERP CCCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001265650674 1377158707 /nfs/dbraw/zinc/15/87/07/1377158707.db2.gz CGINJKDBIZBHFR-LJQANCHMSA-N 2 0 337.552 3.269 10 30 EGEERP C=CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001284127491 1379503982 /nfs/dbraw/zinc/50/39/82/1379503982.db2.gz BKPPJJCGPAIURR-SJLPKXTDSA-N 2 0 335.536 3.185 10 30 EGEERP C=C(C)CC[N@@H+](C)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001284553636 1379961193 /nfs/dbraw/zinc/96/11/93/1379961193.db2.gz RFDIMBBOWQJXDZ-OALUTQOASA-N 2 0 337.552 3.242 10 30 EGEERP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001284731319 1380150921 /nfs/dbraw/zinc/15/09/21/1380150921.db2.gz GTQNOPMUHWUCPX-ICSRJNTNSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)ccc1OC ZINC001308552759 1384132465 /nfs/dbraw/zinc/13/24/65/1384132465.db2.gz GGTZBDUTPRTVQF-FGTMMUONSA-N 2 0 330.472 3.080 10 30 EGEERP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)CC(C)(C)C1 ZINC001316809899 1384606389 /nfs/dbraw/zinc/60/63/89/1384606389.db2.gz DZCHUBYINSXVOL-MRXNPFEDSA-N 2 0 343.943 3.078 10 30 EGEERP C=CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001317191422 1384966131 /nfs/dbraw/zinc/96/61/31/1384966131.db2.gz GEIONQUOHLAJKI-LJQANCHMSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001317209607 1384988322 /nfs/dbraw/zinc/98/83/22/1384988322.db2.gz SYPHIZFTQYQYFS-OALUTQOASA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001317210367 1384989084 /nfs/dbraw/zinc/98/90/84/1384989084.db2.gz XPRPAJXERGHECD-MOPGFXCFSA-N 2 0 335.536 3.140 10 30 EGEERP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001317429643 1385134389 /nfs/dbraw/zinc/13/43/89/1385134389.db2.gz WULSJRGVZIJWKE-IBGZPJMESA-N 2 0 347.547 3.024 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317854467 1385538630 /nfs/dbraw/zinc/53/86/30/1385538630.db2.gz QVWXGJAPVOIIEK-IBGZPJMESA-N 2 0 343.515 3.108 10 30 EGEERP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001317883188 1385561178 /nfs/dbraw/zinc/56/11/78/1385561178.db2.gz XTMWOONSGFYTOT-IEBWSBKVSA-N 2 0 337.552 3.098 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001318403292 1385674113 /nfs/dbraw/zinc/67/41/13/1385674113.db2.gz QTSURDGKTGEJRW-MOPGFXCFSA-N 2 0 337.552 3.362 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001319085194 1385956023 /nfs/dbraw/zinc/95/60/23/1385956023.db2.gz MBOUCBJDXRUBNB-GOSISDBHSA-N 2 0 335.536 3.186 10 30 EGEERP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC001177638418 1386013114 /nfs/dbraw/zinc/01/31/14/1386013114.db2.gz YUKFIQJRBSXDOJ-WIYYLYMNSA-N 2 0 327.516 3.268 10 30 EGEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001319459726 1386130832 /nfs/dbraw/zinc/13/08/32/1386130832.db2.gz BMVJUZWPZPJOAC-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001322231653 1387112578 /nfs/dbraw/zinc/11/25/78/1387112578.db2.gz UHITXLBILACEBN-HKUYNNGSSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001698714577 1406357458 /nfs/dbraw/zinc/35/74/58/1406357458.db2.gz IPGBFOPYPDQGIR-GUDVDZBRSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001698718409 1406362292 /nfs/dbraw/zinc/36/22/92/1406362292.db2.gz VMAYTCRCPOIABH-WGSAOQKQSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC001332379820 1390100887 /nfs/dbraw/zinc/10/08/87/1390100887.db2.gz KZFYDCDTYILFBQ-ZWKOTPCHSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001479692919 1392323731 /nfs/dbraw/zinc/32/37/31/1392323731.db2.gz SLGFTKQZYCZFBR-SFHVURJKSA-N 2 0 337.552 3.291 10 30 EGEERP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001480189860 1392619049 /nfs/dbraw/zinc/61/90/49/1392619049.db2.gz TUVCNVYVKMBJJY-WOJBJXKFSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480258920 1392642930 /nfs/dbraw/zinc/64/29/30/1392642930.db2.gz XAXCMDPXWZHUKV-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001480727526 1392888842 /nfs/dbraw/zinc/88/88/42/1392888842.db2.gz XXSLMWDXRVTEHH-KRWDZBQOSA-N 2 0 349.544 3.312 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001491360266 1394512099 /nfs/dbraw/zinc/51/20/99/1394512099.db2.gz DKNBQKKHKCAGRD-VIQWUECVSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001482005453 1394665605 /nfs/dbraw/zinc/66/56/05/1394665605.db2.gz OVMCBLITCAMSKF-IBGZPJMESA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001482070920 1394733563 /nfs/dbraw/zinc/73/35/63/1394733563.db2.gz YACDFEJLSUJSFW-OALUTQOASA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484059996 1395223432 /nfs/dbraw/zinc/22/34/32/1395223432.db2.gz CNSFOSIEZCKOSG-HXUWFJFHSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001486203040 1396181990 /nfs/dbraw/zinc/18/19/90/1396181990.db2.gz TUXNWQGCBZRSDI-DOTOQJQBSA-N 2 0 349.544 3.264 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001496349936 1396660124 /nfs/dbraw/zinc/66/01/24/1396660124.db2.gz GKXPIWAJJHXWIT-AZUAARDMSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001496349938 1396660328 /nfs/dbraw/zinc/66/03/28/1396660328.db2.gz GKXPIWAJJHXWIT-QUCCMNQESA-N 2 0 349.563 3.434 10 30 EGEERP 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 1396945537 /nfs/dbraw/zinc/94/55/37/1396945537.db2.gz BVQOWIGNLYAMLA-MISYRCLQSA-N 2 0 347.547 3.042 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001689365414 1403704665 /nfs/dbraw/zinc/70/46/65/1403704665.db2.gz FVJLBJYVFKWHIK-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001690130520 1404325513 /nfs/dbraw/zinc/32/55/13/1404325513.db2.gz FPXSVCQYTWTLLA-IBGZPJMESA-N 2 0 347.547 3.189 10 30 EGEERP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001690357726 1404492842 /nfs/dbraw/zinc/49/28/42/1404492842.db2.gz DMOKYPVQOSDBTQ-RDGPPVDQSA-N 2 0 335.536 3.211 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001691382204 1405221077 /nfs/dbraw/zinc/22/10/77/1405221077.db2.gz LNAKYUQSTGEJMM-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1CC ZINC001691515498 1405314709 /nfs/dbraw/zinc/31/47/09/1405314709.db2.gz CWTVECOJBCNQFW-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001692074173 1405761070 /nfs/dbraw/zinc/76/10/70/1405761070.db2.gz DXYLAUYRJBMDOD-AOIWGVFYSA-N 2 0 335.536 3.042 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001692364662 1405974728 /nfs/dbraw/zinc/97/47/28/1405974728.db2.gz JECNOPUCVYQGHU-GBESFXJTSA-N 2 0 335.536 3.115 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001698582455 1406194649 /nfs/dbraw/zinc/19/46/49/1406194649.db2.gz RFUHFGKTRGLZGT-WOJBJXKFSA-N 2 0 349.563 3.221 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001732049915 1428288674 /nfs/dbraw/zinc/28/86/74/1428288674.db2.gz BXUJMSCQAVMNCO-RTBURBONSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001732075986 1428327196 /nfs/dbraw/zinc/32/71/96/1428327196.db2.gz MLWHHCXXZADGMB-IBGZPJMESA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCCCC[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001732129606 1428376614 /nfs/dbraw/zinc/37/66/14/1428376614.db2.gz KJBJBCHNJYCBFT-UHFFFAOYSA-N 2 0 340.471 3.051 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001732163300 1428406265 /nfs/dbraw/zinc/40/62/65/1428406265.db2.gz QKQIVTULTNGVHA-LJQANCHMSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001732273382 1428509006 /nfs/dbraw/zinc/50/90/06/1428509006.db2.gz TWGLHCWYQHQUAB-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001732277548 1428511124 /nfs/dbraw/zinc/51/11/24/1428511124.db2.gz CXIZAZPGFPSSNW-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001732524501 1428643903 /nfs/dbraw/zinc/64/39/03/1428643903.db2.gz MXUFGBRHOPDSFW-MOPGFXCFSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001699683076 1413078219 /nfs/dbraw/zinc/07/82/19/1413078219.db2.gz FFCHOJUCECPUOZ-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC001699735478 1413147178 /nfs/dbraw/zinc/14/71/78/1413147178.db2.gz FHTCWBHVBVMSLE-PXNSSMCTSA-N 2 0 343.515 3.297 10 30 EGEERP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)cc1 ZINC001700094396 1413508640 /nfs/dbraw/zinc/50/86/40/1413508640.db2.gz JMSKYHTZYZTWLN-FXAWDEMLSA-N 2 0 343.515 3.261 10 30 EGEERP C=CCCC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001732551122 1428734024 /nfs/dbraw/zinc/73/40/24/1428734024.db2.gz SDQSLBSSQAORMT-OALUTQOASA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001733037033 1429163149 /nfs/dbraw/zinc/16/31/49/1429163149.db2.gz CGKASUWPJOXIST-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001707240445 1417260654 /nfs/dbraw/zinc/26/06/54/1417260654.db2.gz UCVNNUXXBVWQQE-RTBURBONSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001713160876 1417737064 /nfs/dbraw/zinc/73/70/64/1417737064.db2.gz AOJJSTVUKAITDE-BPUTZDHNSA-N 2 0 335.517 3.015 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713199360 1417770720 /nfs/dbraw/zinc/77/07/20/1417770720.db2.gz ANNRNHDNZMNRKZ-GNBUJSLZSA-N 2 0 347.547 3.375 10 30 EGEERP C=CCCC[NH2+]C1CCC(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001713291513 1417919083 /nfs/dbraw/zinc/91/90/83/1417919083.db2.gz OBGYSFDCIJSVQZ-UHFFFAOYSA-N 2 0 347.547 3.092 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001713442359 1418078611 /nfs/dbraw/zinc/07/86/11/1418078611.db2.gz NGAGGCRTKWFQLX-WOJBJXKFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001713680437 1418432177 /nfs/dbraw/zinc/43/21/77/1418432177.db2.gz LLIDBGBZZGKKDM-ICSRJNTNSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713899848 1418699359 /nfs/dbraw/zinc/69/93/59/1418699359.db2.gz KTQNUEAUHNRLLP-PMACEKPBSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001714067783 1418863937 /nfs/dbraw/zinc/86/39/37/1418863937.db2.gz SFUZILRBZBVXEO-OALUTQOASA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[NH2+]C[C@@]1(NC(=O)CC[NH+]2CCCCC2)CCCC[C@H]1C ZINC001714188876 1418995493 /nfs/dbraw/zinc/99/54/93/1418995493.db2.gz YLWWONHCRUHVDO-CTNGQTDRSA-N 2 0 349.563 3.483 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001715037634 1419773084 /nfs/dbraw/zinc/77/30/84/1419773084.db2.gz DRHANOVHQDHCAC-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001715409542 1420106195 /nfs/dbraw/zinc/10/61/95/1420106195.db2.gz GVXZPVLAJFIQDB-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001716478390 1420693417 /nfs/dbraw/zinc/69/34/17/1420693417.db2.gz PZQFDCLGLMUSOU-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001733273049 1429435825 /nfs/dbraw/zinc/43/58/25/1429435825.db2.gz XRGBBMKHJIYVDA-IHWFROFDSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001716830870 1420958349 /nfs/dbraw/zinc/95/83/49/1420958349.db2.gz YOVRKHGDIMVRFL-TZIWHRDSSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001716871856 1420999142 /nfs/dbraw/zinc/99/91/42/1420999142.db2.gz WZGHYJKQISOVHA-PZJWPPBQSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001716877346 1421002528 /nfs/dbraw/zinc/00/25/28/1421002528.db2.gz XWJRGDNHQXYKCX-OAQYLSRUSA-N 2 0 343.515 3.156 10 30 EGEERP 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 1421126064 /nfs/dbraw/zinc/12/60/64/1421126064.db2.gz YJCIYQNMSYHQCH-UJMXGEILSA-N 2 0 349.563 3.336 10 30 EGEERP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001717237472 1421205633 /nfs/dbraw/zinc/20/56/33/1421205633.db2.gz LYJQYQYPCAODBF-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001733288777 1429465909 /nfs/dbraw/zinc/46/59/09/1429465909.db2.gz YRUNLSLGLWHVKP-AZUAARDMSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001717338945 1421276373 /nfs/dbraw/zinc/27/63/73/1421276373.db2.gz GKSGGTLFMXEJHW-FXAWDEMLSA-N 2 0 343.515 3.297 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001717368840 1421305988 /nfs/dbraw/zinc/30/59/88/1421305988.db2.gz GKZWCEXYTRAAML-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001717447786 1421377289 /nfs/dbraw/zinc/37/72/89/1421377289.db2.gz VIXROHGEGLVKKN-UHFFFAOYSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001717537323 1421475586 /nfs/dbraw/zinc/47/55/86/1421475586.db2.gz BSLMWJJMTXPHSE-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001717983435 1421755502 /nfs/dbraw/zinc/75/55/02/1421755502.db2.gz FPXHKJFBJNYOHU-AZUAARDMSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH+]1CCC(C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001733360814 1429544544 /nfs/dbraw/zinc/54/45/44/1429544544.db2.gz BLXYEYLSZKWBAD-SFHVURJKSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001733458099 1429678660 /nfs/dbraw/zinc/67/86/60/1429678660.db2.gz CCOAVDWOJNFLKK-UYAOXDASSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1CC ZINC001733518431 1429728020 /nfs/dbraw/zinc/72/80/20/1429728020.db2.gz NNNPPGZHVGUMED-VQTJNVASSA-N 2 0 343.515 3.055 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001723691803 1424532101 /nfs/dbraw/zinc/53/21/01/1424532101.db2.gz RXFOHOGVUSQINK-PZJWPPBQSA-N 2 0 349.563 3.223 10 30 EGEERP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001724271876 1424766627 /nfs/dbraw/zinc/76/66/27/1424766627.db2.gz FIFSIHCZAGEUSS-PZJWPPBQSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001731659915 1427712580 /nfs/dbraw/zinc/71/25/80/1427712580.db2.gz MPYPOLUORBMJQS-RTBURBONSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001733607623 1429824325 /nfs/dbraw/zinc/82/43/25/1429824325.db2.gz TZOSJGUDXAWCTO-VQTJNVASSA-N 2 0 347.547 3.282 10 30 EGEERP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001733682906 1429896450 /nfs/dbraw/zinc/89/64/50/1429896450.db2.gz BEAOOJUFBUAPKE-QGZVFWFLSA-N 2 0 343.515 3.260 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001733682847 1429896720 /nfs/dbraw/zinc/89/67/20/1429896720.db2.gz AHWDZTCIMBSIQP-ROUUACIJSA-N 2 0 343.515 3.261 10 30 EGEERP C=CCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001734148053 1437915851 /nfs/dbraw/zinc/91/58/51/1437915851.db2.gz NZNWVRHBXXUPHN-LJQANCHMSA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001734438250 1438100719 /nfs/dbraw/zinc/10/07/19/1438100719.db2.gz GABRGRFOKQYWEK-SVFBPWRDSA-N 2 0 349.563 3.412 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001734438249 1438101031 /nfs/dbraw/zinc/10/10/31/1438101031.db2.gz GABRGRFOKQYWEK-SFHLNBCPSA-N 2 0 349.563 3.412 10 30 EGEERP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC001734441392 1438103826 /nfs/dbraw/zinc/10/38/26/1438103826.db2.gz SMPHSMKLDLQTEL-SFHLNBCPSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001734579624 1438171917 /nfs/dbraw/zinc/17/19/17/1438171917.db2.gz GAKGVPHQAOSDLX-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001750946219 1440118990 /nfs/dbraw/zinc/11/89/90/1440118990.db2.gz YKIIYQNRGXVSKL-OALUTQOASA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)C1CC1 ZINC000120231106 454275809 /nfs/dbraw/zinc/27/58/09/454275809.db2.gz GPPRSVOCXSFBEG-IBGZPJMESA-N 2 0 328.504 3.058 10 30 EGEERP C=CCCC[N@@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000265647538 455354907 /nfs/dbraw/zinc/35/49/07/455354907.db2.gz UGTINHSDIHCUOW-GOSISDBHSA-N 2 0 343.515 3.054 10 30 EGEERP N#C[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000248882403 455736652 /nfs/dbraw/zinc/73/66/52/455736652.db2.gz RTGXROFIXDCTRU-NRSPTQNISA-N 2 0 341.499 3.104 10 30 EGEERP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000594510169 459069372 /nfs/dbraw/zinc/06/93/72/459069372.db2.gz AIACSEBDDMVJON-GOSISDBHSA-N 2 0 341.499 3.078 10 30 EGEERP Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3ccnc(C#N)c3)C2)s1 ZINC000593031385 459747180 /nfs/dbraw/zinc/74/71/80/459747180.db2.gz VFQVOIGSJAFRIS-QGZVFWFLSA-N 2 0 340.496 3.277 10 30 EGEERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748530 460431023 /nfs/dbraw/zinc/43/10/23/460431023.db2.gz NNTSOMDOVHQXOV-UHFFFAOYSA-N 2 0 337.814 3.391 10 30 EGEERP C=CCN(Cc1cc2c(s1)CC[NH2+]C2)Cc1cccc([N+](=O)[O-])c1 ZINC000873204665 1297349206 /nfs/dbraw/zinc/34/92/06/1297349206.db2.gz GQVWTWXJEOJOLT-UHFFFAOYSA-N 2 0 343.452 3.490 10 30 EGEERP C[N@@H+](Cc1ccnc(C#N)c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719915722 1298323227 /nfs/dbraw/zinc/32/32/27/1298323227.db2.gz DKNKHNFGAHRWKQ-UHFFFAOYSA-N 2 0 334.467 3.297 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000876719502 1298936337 /nfs/dbraw/zinc/93/63/37/1298936337.db2.gz MXJUHMYSJCUFHU-SFHVURJKSA-N 2 0 349.906 3.005 10 30 EGEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000876732853 1298945088 /nfs/dbraw/zinc/94/50/88/1298945088.db2.gz HVGWFWNPAOREQG-ROUUACIJSA-N 2 0 349.906 3.046 10 30 EGEERP C=CCC[C@@H](COc1ccccc1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000883169738 1302283491 /nfs/dbraw/zinc/28/34/91/1302283491.db2.gz BONVNOCCTBRYRW-IBGZPJMESA-N 2 0 345.531 3.016 10 30 EGEERP C=CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000883186350 1302293114 /nfs/dbraw/zinc/29/31/14/1302293114.db2.gz QDIUVDDEQFEJDO-FPOVZHCZSA-N 2 0 329.532 3.037 10 30 EGEERP C=CCC[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)[C@H]1CCCO1 ZINC000883202417 1302301804 /nfs/dbraw/zinc/30/18/04/1302301804.db2.gz AIGJHQARLLCJON-RBUKOAKNSA-N 2 0 336.520 3.125 10 30 EGEERP C=CCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000883218267 1302314143 /nfs/dbraw/zinc/31/41/43/1302314143.db2.gz XIERPGJGRGREHW-CTNGQTDRSA-N 2 0 329.532 3.180 10 30 EGEERP C[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CCN1c1cc[nH+]cc1 ZINC000895557147 1309400274 /nfs/dbraw/zinc/40/02/74/1309400274.db2.gz MYTYVFHVBUUXJV-QGZVFWFLSA-N 2 0 332.451 3.347 10 30 EGEERP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1 ZINC000895556905 1309400608 /nfs/dbraw/zinc/40/06/08/1309400608.db2.gz MOYAHPKSQLEPRT-IRXDYDNUSA-N 2 0 336.439 3.083 10 30 EGEERP C#CC[C@@H](CCOC)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000862548289 1329495951 /nfs/dbraw/zinc/49/59/51/1329495951.db2.gz BWGRVBWAUGYMKR-ICSRJNTNSA-N 2 0 328.500 3.100 10 30 EGEERP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001323812364 1387463478 /nfs/dbraw/zinc/46/34/78/1387463478.db2.gz KSRYBQNETIBNRW-OAQYLSRUSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001323813253 1387465090 /nfs/dbraw/zinc/46/50/90/1387465090.db2.gz QEDVJXOJJGZZGF-NRFANRHFSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001324775050 1387768706 /nfs/dbraw/zinc/76/87/06/1387768706.db2.gz GXKJOVXNZNRXPU-CTNGQTDRSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001324891850 1387807626 /nfs/dbraw/zinc/80/76/26/1387807626.db2.gz FBJPZGTUZKBTEW-DLBZAZTESA-N 2 0 346.519 3.161 10 30 EGEERP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001325920212 1388084705 /nfs/dbraw/zinc/08/47/05/1388084705.db2.gz KQTCLUDZTMIZLI-AQNXPRMDSA-N 2 0 347.547 3.281 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001327298303 1388488947 /nfs/dbraw/zinc/48/89/47/1388488947.db2.gz FZDNLEGKPJGFDO-WOJBJXKFSA-N 2 0 349.563 3.245 10 30 EGEERP C=CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001273783002 1378111279 /nfs/dbraw/zinc/11/12/79/1378111279.db2.gz RWUGHDOTXITSGN-LJQANCHMSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H](CC)[NH+](CC)CC)CC2)CC1 ZINC001279367924 1378307361 /nfs/dbraw/zinc/30/73/61/1378307361.db2.gz CBDDOMUHGYKQNW-GOSISDBHSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001282275225 1378494124 /nfs/dbraw/zinc/49/41/24/1378494124.db2.gz VGGMERLIIPBCHS-UHFFFAOYSA-N 2 0 335.536 3.188 10 30 EGEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)C(C)C ZINC001144203871 1378698188 /nfs/dbraw/zinc/69/81/88/1378698188.db2.gz FNWDQVSLKRDPTB-FQEVSTJZSA-N 2 0 347.547 3.066 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001283434007 1378925321 /nfs/dbraw/zinc/92/53/21/1378925321.db2.gz MUQHMRWHRHLFHL-WOJBJXKFSA-N 2 0 343.515 3.274 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001283629146 1379064750 /nfs/dbraw/zinc/06/47/50/1379064750.db2.gz FZIJVKLCUPTQNL-HUUCEWRRSA-N 2 0 328.460 3.048 10 30 EGEERP C=CCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC001284297141 1379685018 /nfs/dbraw/zinc/68/50/18/1379685018.db2.gz UDDJAIWXPBGJFZ-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001284346937 1379744688 /nfs/dbraw/zinc/74/46/88/1379744688.db2.gz CJWTUZMSDBOYLB-OALUTQOASA-N 2 0 349.563 3.290 10 30 EGEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001284631251 1380035509 /nfs/dbraw/zinc/03/55/09/1380035509.db2.gz MNJHFSDMKZGTDH-HZPDHXFCSA-N 2 0 343.943 3.124 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001328294956 1388718413 /nfs/dbraw/zinc/71/84/13/1388718413.db2.gz PQNYYMAXFYOPIJ-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001328811337 1388877082 /nfs/dbraw/zinc/87/70/82/1388877082.db2.gz AURTWPYTQVRLSK-HXUWFJFHSA-N 2 0 349.563 3.245 10 30 EGEERP CCCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317035601 1384805277 /nfs/dbraw/zinc/80/52/77/1384805277.db2.gz NLZWYTIIKLKIOQ-MOPGFXCFSA-N 2 0 337.552 3.221 10 30 EGEERP CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317051587 1384827782 /nfs/dbraw/zinc/82/77/82/1384827782.db2.gz IPXPGQYVWAAELS-CEXWTWQISA-N 2 0 337.552 3.218 10 30 EGEERP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317213594 1384993799 /nfs/dbraw/zinc/99/37/99/1384993799.db2.gz GIDVRSZIHLWRLK-RMMWZPCPSA-N 2 0 349.563 3.124 10 30 EGEERP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC001175360905 1385265914 /nfs/dbraw/zinc/26/59/14/1385265914.db2.gz CCIRIQRSYAHNDN-OALUTQOASA-N 2 0 333.520 3.018 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001318540393 1385744024 /nfs/dbraw/zinc/74/40/24/1385744024.db2.gz JGXZTJDXQXKGFK-GDBMZVCRSA-N 2 0 328.460 3.095 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001318803813 1385857442 /nfs/dbraw/zinc/85/74/42/1385857442.db2.gz JPFJOGJTCVZOFN-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[NH2+]CCC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001318895609 1385872490 /nfs/dbraw/zinc/87/24/90/1385872490.db2.gz NVKUNHDCXMHIFL-UHFFFAOYSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001319486279 1386142464 /nfs/dbraw/zinc/14/24/64/1386142464.db2.gz MRYSYKZLZNCYQV-LSDHHAIUSA-N 2 0 328.460 3.048 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001319767081 1386287183 /nfs/dbraw/zinc/28/71/83/1386287183.db2.gz PDBVQDYSEDURMT-KRWDZBQOSA-N 2 0 340.471 3.193 10 30 EGEERP C=CCCC[NH2+]C1CCC(N(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001329256807 1389037641 /nfs/dbraw/zinc/03/76/41/1389037641.db2.gz PNZGSAAFTMUYJZ-UHFFFAOYSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001698717384 1406361385 /nfs/dbraw/zinc/36/13/85/1406361385.db2.gz MGGDTVBMMLCOMT-UFYCRDLUSA-N 2 0 343.515 3.273 10 30 EGEERP CCCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001332984792 1390229840 /nfs/dbraw/zinc/22/98/40/1390229840.db2.gz KOESZNLHVROIOT-HKUYNNGSSA-N 2 0 337.552 3.268 10 30 EGEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001698807346 1406490674 /nfs/dbraw/zinc/49/06/74/1406490674.db2.gz ZNWDNDKDVCPPLK-ZWKOTPCHSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001479685354 1392318721 /nfs/dbraw/zinc/31/87/21/1392318721.db2.gz FRELSMIFIUSKFJ-GOSISDBHSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC001698884695 1406617689 /nfs/dbraw/zinc/61/76/89/1406617689.db2.gz PQEVZRWQHUMFMS-HXUWFJFHSA-N 2 0 349.563 3.338 10 30 EGEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001698894506 1406626524 /nfs/dbraw/zinc/62/65/24/1406626524.db2.gz WVHFEIKFXVFQEW-HKUYNNGSSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001481986769 1394648893 /nfs/dbraw/zinc/64/88/93/1394648893.db2.gz WBVZYQKCFVDNHR-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001482429513 1394989527 /nfs/dbraw/zinc/98/95/27/1394989527.db2.gz QPTMNVYRXHNHSU-HKUYNNGSSA-N 2 0 337.552 3.125 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001482481656 1395035742 /nfs/dbraw/zinc/03/57/42/1395035742.db2.gz KBQFJSJAZHEHRA-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001484827644 1395565872 /nfs/dbraw/zinc/56/58/72/1395565872.db2.gz RIMPAJUVJJPEGF-QUCCMNQESA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001484981264 1395620931 /nfs/dbraw/zinc/62/09/31/1395620931.db2.gz NDSUJOUHMRGNAO-UXHICEINSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001485585389 1396061906 /nfs/dbraw/zinc/06/19/06/1396061906.db2.gz LWWNVOMZTMAKQH-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001493130883 1396336944 /nfs/dbraw/zinc/33/69/44/1396336944.db2.gz QZMTVXPGNZBHLE-WOJBJXKFSA-N 2 0 347.547 3.330 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001494686386 1396489048 /nfs/dbraw/zinc/48/90/48/1396489048.db2.gz UNWMOKDTBFGKFI-UFYCRDLUSA-N 2 0 349.563 3.362 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001689365640 1403705964 /nfs/dbraw/zinc/70/59/64/1403705964.db2.gz JYHOGZIFVGAOLF-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001690457948 1404586591 /nfs/dbraw/zinc/58/65/91/1404586591.db2.gz VNIJNTLHSHTLGO-HXUWFJFHSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691440206 1405270341 /nfs/dbraw/zinc/27/03/41/1405270341.db2.gz BLTJKUBMBWSIGP-GBESFXJTSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001691655816 1405389499 /nfs/dbraw/zinc/38/94/99/1405389499.db2.gz GOIKNCVSBRFABX-CMKODMSKSA-N 2 0 349.563 3.336 10 30 EGEERP C=C(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691733437 1405456100 /nfs/dbraw/zinc/45/61/00/1405456100.db2.gz QHMAENDHHIXWOK-QUCCMNQESA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001732004159 1428216315 /nfs/dbraw/zinc/21/63/15/1428216315.db2.gz NYUYIUSAPNRDII-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001692012778 1405732526 /nfs/dbraw/zinc/73/25/26/1405732526.db2.gz KYVRDCOTLRUUSM-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP 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 1405793915 /nfs/dbraw/zinc/79/39/15/1405793915.db2.gz BMCRUGKWUOZUID-NEWSRXKRSA-N 2 0 349.563 3.146 10 30 EGEERP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001731998374 1428207583 /nfs/dbraw/zinc/20/75/83/1428207583.db2.gz BLOKCWZZKIPLFK-OALUTQOASA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001698582452 1406195041 /nfs/dbraw/zinc/19/50/41/1406195041.db2.gz RFUHFGKTRGLZGT-VQTJNVASSA-N 2 0 349.563 3.221 10 30 EGEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001732289996 1428516309 /nfs/dbraw/zinc/51/63/09/1428516309.db2.gz ZGQCFZSQQTUBMM-UTKZUKDTSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001732491771 1428614692 /nfs/dbraw/zinc/61/46/92/1428614692.db2.gz RBVWTZRFZOXUIZ-RBUKOAKNSA-N 2 0 347.547 3.188 10 30 EGEERP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001699977717 1413421788 /nfs/dbraw/zinc/42/17/88/1413421788.db2.gz RXQLCZZHDOJTCY-IYWMVGAKSA-N 2 0 347.547 3.042 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001699982492 1413428224 /nfs/dbraw/zinc/42/82/24/1413428224.db2.gz ZTKLVAGGBKBJCU-UAFMIMERSA-N 2 0 349.563 3.338 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001700090896 1413502631 /nfs/dbraw/zinc/50/26/31/1413502631.db2.gz NLHNPQJLQHQERA-PXNSSMCTSA-N 2 0 343.515 3.184 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001700293991 1413752014 /nfs/dbraw/zinc/75/20/14/1413752014.db2.gz MGHZQTQJWKKDHW-SFHVURJKSA-N 2 0 337.552 3.269 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001700320547 1413785252 /nfs/dbraw/zinc/78/52/52/1413785252.db2.gz OXKUJZIJJWYTHM-PXNSSMCTSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001700466282 1414073779 /nfs/dbraw/zinc/07/37/79/1414073779.db2.gz LITPVGQIUIXMRB-GJZGRUSLSA-N 2 0 328.460 3.048 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001700572163 1414242278 /nfs/dbraw/zinc/24/22/78/1414242278.db2.gz YGSXOUKRBBTRRH-KZNAEPCWSA-N 2 0 337.552 3.124 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001700831755 1414486018 /nfs/dbraw/zinc/48/60/18/1414486018.db2.gz YOJQXZUUPWXIQV-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001700926996 1414579951 /nfs/dbraw/zinc/57/99/51/1414579951.db2.gz RYIHFDLMQPNYBA-MOPGFXCFSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001707142982 1417220473 /nfs/dbraw/zinc/22/04/73/1417220473.db2.gz RBLDQSNRAQQFJI-ICSRJNTNSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001713142699 1417725026 /nfs/dbraw/zinc/72/50/26/1417725026.db2.gz FALTVKWWFSCOSO-KDURUIRLSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713252307 1417845720 /nfs/dbraw/zinc/84/57/20/1417845720.db2.gz WCIIBPZQKWUVFA-PMACEKPBSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001713269433 1417878868 /nfs/dbraw/zinc/87/88/68/1417878868.db2.gz DFIGHALISVBODX-MOPGFXCFSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001713442356 1418078484 /nfs/dbraw/zinc/07/84/84/1418078484.db2.gz NGAGGCRTKWFQLX-PMACEKPBSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001713704449 1418463925 /nfs/dbraw/zinc/46/39/25/1418463925.db2.gz FZAGJMIMXIACSJ-FQEVSTJZSA-N 2 0 343.515 3.132 10 30 EGEERP C=CCCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001713755146 1418558439 /nfs/dbraw/zinc/55/84/39/1418558439.db2.gz VWFAVAZLEGSQOG-UFYCRDLUSA-N 2 0 349.563 3.243 10 30 EGEERP CCCCCCC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001713778863 1418594487 /nfs/dbraw/zinc/59/44/87/1418594487.db2.gz DHSVDJNLGLTVTC-FQEVSTJZSA-N 2 0 349.563 3.221 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713898514 1418697971 /nfs/dbraw/zinc/69/79/71/1418697971.db2.gz ZCRRHKBMWARLCR-GOSISDBHSA-N 2 0 337.552 3.101 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001714025875 1418811083 /nfs/dbraw/zinc/81/10/83/1418811083.db2.gz UVDRUWKWAWHQQU-RBUKOAKNSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCCCC[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001714070356 1418866442 /nfs/dbraw/zinc/86/64/42/1418866442.db2.gz GKRPOQWVWVGDGG-LJQANCHMSA-N 2 0 347.547 3.189 10 30 EGEERP C=C(C)CC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)C2CCC2)CCCC[C@H]1C ZINC001714182931 1418990802 /nfs/dbraw/zinc/99/08/02/1418990802.db2.gz CLFBXVBQPPTWNO-XLIONFOSSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCCCC[NH2+]C1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001714189704 1418996247 /nfs/dbraw/zinc/99/62/47/1418996247.db2.gz BEBTVXBKKFTFIT-SOAGJPPSSA-N 2 0 347.547 3.092 10 30 EGEERP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001714803904 1419517388 /nfs/dbraw/zinc/51/73/88/1419517388.db2.gz DPQLYBQIHYMSOG-IEBWSBKVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCC1 ZINC001715301928 1420009578 /nfs/dbraw/zinc/00/95/78/1420009578.db2.gz HUCUGPDSBPEMJX-GOSISDBHSA-N 2 0 347.547 3.236 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CCCCC1 ZINC001715400821 1420099536 /nfs/dbraw/zinc/09/95/36/1420099536.db2.gz DWKMZAMHCIGIGK-VQTJNVASSA-N 2 0 349.563 3.480 10 30 EGEERP C=CCC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001716714022 1420868277 /nfs/dbraw/zinc/86/82/77/1420868277.db2.gz WHEZHOJGGDUART-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001716725026 1420883241 /nfs/dbraw/zinc/88/32/41/1420883241.db2.gz QXGMLWWEFBJCBQ-OAQYLSRUSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001716786292 1420921743 /nfs/dbraw/zinc/92/17/43/1420921743.db2.gz KGUZVXNWHXQLQP-PXNSSMCTSA-N 2 0 343.515 3.297 10 30 EGEERP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001717034896 1421088584 /nfs/dbraw/zinc/08/85/84/1421088584.db2.gz CUCHBQWUEBRFKN-SLFFLAALSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001717116502 1421120994 /nfs/dbraw/zinc/12/09/94/1421120994.db2.gz KPOMKFGKHTVFQT-HXUWFJFHSA-N 2 0 343.515 3.185 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001717128021 1421129304 /nfs/dbraw/zinc/12/93/04/1421129304.db2.gz LQTHDADXLPTJFI-RBUKOAKNSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001717201652 1421169543 /nfs/dbraw/zinc/16/95/43/1421169543.db2.gz ZYYVVJASKZNDLW-WOJBJXKFSA-N 2 0 343.515 3.226 10 30 EGEERP C=C(C)C[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@H]12 ZINC001717836081 1421649601 /nfs/dbraw/zinc/64/96/01/1421649601.db2.gz GEECCQNRVGEYKQ-PZJWPPBQSA-N 2 0 347.547 3.330 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001717898802 1421695851 /nfs/dbraw/zinc/69/58/51/1421695851.db2.gz DKDFFSVWVYDYOO-ZWKOTPCHSA-N 2 0 337.552 3.268 10 30 EGEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001733424798 1429631865 /nfs/dbraw/zinc/63/18/65/1429631865.db2.gz FYZGUIJYOXXSRJ-RXVVDRJESA-N 2 0 347.547 3.045 10 30 EGEERP CCCCCCC[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001733435348 1429642475 /nfs/dbraw/zinc/64/24/75/1429642475.db2.gz POYZXKVNQKYBGL-FQEVSTJZSA-N 2 0 337.552 3.127 10 30 EGEERP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001724271874 1424766187 /nfs/dbraw/zinc/76/61/87/1424766187.db2.gz FIFSIHCZAGEUSS-CTNGQTDRSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001724300706 1424783817 /nfs/dbraw/zinc/78/38/17/1424783817.db2.gz ITGTZVOQNGFAPZ-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724343808 1424843433 /nfs/dbraw/zinc/84/34/33/1424843433.db2.gz OXHZGGWBIRTZFM-OAQYLSRUSA-N 2 0 343.515 3.156 10 30 EGEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001733566979 1429769270 /nfs/dbraw/zinc/76/92/70/1429769270.db2.gz XFCCYCREVMPNBS-WKILWMFISA-N 2 0 349.544 3.122 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001724754995 1425125756 /nfs/dbraw/zinc/12/57/56/1425125756.db2.gz VANWLZPSXRJRSA-WTGUMLROSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001724758021 1425128389 /nfs/dbraw/zinc/12/83/89/1425128389.db2.gz DNGMYLXQOPKBRP-IBGZPJMESA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001724891457 1425278917 /nfs/dbraw/zinc/27/89/17/1425278917.db2.gz RHJYYFGPBJQANZ-SFHVURJKSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001724959329 1425347834 /nfs/dbraw/zinc/34/78/34/1425347834.db2.gz JWLAFHMSBXXOQV-GOSISDBHSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001724999280 1425407057 /nfs/dbraw/zinc/40/70/57/1425407057.db2.gz CIZPMWAYCFDJOT-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731717809 1427782390 /nfs/dbraw/zinc/78/23/90/1427782390.db2.gz XSSCKJJRGDYWCF-SFHVURJKSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001733694144 1429911439 /nfs/dbraw/zinc/91/14/39/1429911439.db2.gz YBYFVVWYAAGODW-RTBURBONSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC001733717055 1429935851 /nfs/dbraw/zinc/93/58/51/1429935851.db2.gz VNOHPUQSPINOSG-SFHVURJKSA-N 2 0 347.547 3.236 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001733783016 1430050833 /nfs/dbraw/zinc/05/08/33/1430050833.db2.gz UWNPFHIQSVNDES-UXHICEINSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001734105381 1437891139 /nfs/dbraw/zinc/89/11/39/1437891139.db2.gz DXBAZTKCBWXXPX-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001734105384 1437891401 /nfs/dbraw/zinc/89/14/01/1437891401.db2.gz DXBAZTKCBWXXPX-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001734117231 1437898967 /nfs/dbraw/zinc/89/89/67/1437898967.db2.gz PXPMGOZQOIKWCI-SJORKVTESA-N 2 0 349.563 3.431 10 30 EGEERP C=CCCC[N@H+]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001734151278 1437919245 /nfs/dbraw/zinc/91/92/45/1437919245.db2.gz ZOVPDOMUGGMKOU-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001750946624 1440119117 /nfs/dbraw/zinc/11/91/17/1440119117.db2.gz INDQBDZQEMSDGW-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C#CC[NH+]1CCC(C(=O)Nc2cccc3c2C[N@H+](CCCC)C3)CC1 ZINC000066513173 215049526 /nfs/dbraw/zinc/04/95/26/215049526.db2.gz HVBGAUHKWJOXLQ-UHFFFAOYSA-N 2 0 339.483 3.086 10 30 EGEERP C[NH+]=C(NCc1cccs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000075583394 453907730 /nfs/dbraw/zinc/90/77/30/453907730.db2.gz SFVSDZIIJJWSLX-UHFFFAOYSA-N 2 0 342.512 3.078 10 30 EGEERP N#Cc1ccc2ncc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)n2c1 ZINC000123226661 454617418 /nfs/dbraw/zinc/61/74/18/454617418.db2.gz DRBRXIMAEYROSO-UHFFFAOYSA-N 2 0 345.450 3.092 10 30 EGEERP CC(C)(C#N)C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000598720383 460006287 /nfs/dbraw/zinc/00/62/87/460006287.db2.gz OUIXXFHNVWYKIO-NXEWRWPSSA-N 2 0 341.499 3.072 10 30 EGEERP C=CC[C@]1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCC[NH2+]1 ZINC000662673892 461343466 /nfs/dbraw/zinc/34/34/66/461343466.db2.gz RZGSCWHNLKMPOZ-HXUWFJFHSA-N 2 0 345.487 3.044 10 30 EGEERP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000651758673 462326913 /nfs/dbraw/zinc/32/69/13/462326913.db2.gz JNAMPMMZTCNBEV-JRGCBEDISA-N 2 0 328.500 3.478 10 30 EGEERP C#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000873198676 1297344739 /nfs/dbraw/zinc/34/47/39/1297344739.db2.gz VKSSZLIIOUNQER-KESTWPANSA-N 2 0 339.527 3.499 10 30 EGEERP C=CCC[C@@H](Cc1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000883185751 1302292561 /nfs/dbraw/zinc/29/25/61/1302292561.db2.gz DIVFFMPJPCPZRI-NRFANRHFSA-N 2 0 329.532 3.181 10 30 EGEERP C=CCC[C@@H](Cc1ccccc1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000883194752 1302299569 /nfs/dbraw/zinc/29/95/69/1302299569.db2.gz CATDBIRDOYLTJH-FQEVSTJZSA-N 2 0 329.532 3.180 10 30 EGEERP C#CC[C@H]1CC[NH+](CC(C[N@H+]2CC[C@H](CC#C)C2)c2ccccc2)C1 ZINC000886365271 1303449077 /nfs/dbraw/zinc/44/90/77/1303449077.db2.gz DXOAOCJIHVGUGE-SFTDATJTSA-N 2 0 334.507 3.461 10 30 EGEERP C[NH+]1CCC(C[NH2+]Cc2csc(C#N)c2)(c2ccccc2)CC1 ZINC000922316420 1322499251 /nfs/dbraw/zinc/49/92/51/1322499251.db2.gz OLZULPOAJNVFAJ-UHFFFAOYSA-N 2 0 325.481 3.373 10 30 EGEERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000925701956 1325264931 /nfs/dbraw/zinc/26/49/31/1325264931.db2.gz IOTGPGFIYXYUAA-ICSRJNTNSA-N 2 0 340.515 3.018 10 30 EGEERP Cc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1C#N ZINC000925839019 1325323084 /nfs/dbraw/zinc/32/30/84/1325323084.db2.gz OTWIPYIWTXHOFL-CTNGQTDRSA-N 2 0 333.435 3.212 10 30 EGEERP C#CC[C@@H](CCOC)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000862548290 1329495893 /nfs/dbraw/zinc/49/58/93/1329495893.db2.gz BWGRVBWAUGYMKR-QUCCMNQESA-N 2 0 328.500 3.100 10 30 EGEERP C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000866617125 1330133530 /nfs/dbraw/zinc/13/35/30/1330133530.db2.gz FMGOVECORPXXQG-IERDGZPVSA-N 2 0 349.478 3.317 10 30 EGEERP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743478 1331176192 /nfs/dbraw/zinc/17/61/92/1331176192.db2.gz ATGVJKHBOWMTKF-HKUYNNGSSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941237424 1331402349 /nfs/dbraw/zinc/40/23/49/1331402349.db2.gz NETKHJXXRJEEDJ-IBGZPJMESA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941238147 1331402515 /nfs/dbraw/zinc/40/25/15/1331402515.db2.gz UGZWDQTZHFAHBV-IBGZPJMESA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001323733315 1387434318 /nfs/dbraw/zinc/43/43/18/1387434318.db2.gz FGHLMZDZIMAZAV-LJQANCHMSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001325428846 1387970786 /nfs/dbraw/zinc/97/07/86/1387970786.db2.gz NWPBKRJISFXDKS-MOPGFXCFSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1OC ZINC001119988944 1371443470 /nfs/dbraw/zinc/44/34/70/1371443470.db2.gz MDMKGWCAKASLBR-FHWLQOOXSA-N 2 0 344.499 3.422 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC001274434068 1378124579 /nfs/dbraw/zinc/12/45/79/1378124579.db2.gz ASIKDQRNKADDOZ-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001282648665 1378523795 /nfs/dbraw/zinc/52/37/95/1378523795.db2.gz ZBIYIWKLIFVMBT-QUCCMNQESA-N 2 0 347.547 3.071 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC1(C)C ZINC001284321970 1379711853 /nfs/dbraw/zinc/71/18/53/1379711853.db2.gz DXABLDVNVSNPIZ-IAGOWNOFSA-N 2 0 337.552 3.146 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001284619199 1380018614 /nfs/dbraw/zinc/01/86/14/1380018614.db2.gz QKXKQVOWIQHIDO-MOPGFXCFSA-N 2 0 349.563 3.480 10 30 EGEERP C=CCCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001328083521 1388666190 /nfs/dbraw/zinc/66/61/90/1388666190.db2.gz VMQCKCDUFGZEPD-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)ccc1OC ZINC001308552761 1384132654 /nfs/dbraw/zinc/13/26/54/1384132654.db2.gz GGTZBDUTPRTVQF-KZNAEPCWSA-N 2 0 330.472 3.080 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316771257 1384570287 /nfs/dbraw/zinc/57/02/87/1384570287.db2.gz RNJIPUDCGRPNDR-WOJBJXKFSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317131813 1384890830 /nfs/dbraw/zinc/89/08/30/1384890830.db2.gz NELKNAVEUIQORW-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001318976985 1385905882 /nfs/dbraw/zinc/90/58/82/1385905882.db2.gz TUJXTTXMQYVVKJ-FHWLQOOXSA-N 2 0 335.536 3.233 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001319069833 1385951960 /nfs/dbraw/zinc/95/19/60/1385951960.db2.gz NLYZUFAKOCRQOJ-ZWKOTPCHSA-N 2 0 335.536 3.186 10 30 EGEERP CCCCCCC[N@@H+]1C[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001330244581 1389363222 /nfs/dbraw/zinc/36/32/22/1389363222.db2.gz NBHDLJMDSRHMKK-ROUUACIJSA-N 2 0 337.552 3.125 10 30 EGEERP C=CCc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc(OC)c1O ZINC001333840556 1390420416 /nfs/dbraw/zinc/42/04/16/1390420416.db2.gz HJQAPPSFZVVDCN-OTWHNJEPSA-N 2 0 344.499 3.291 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001479589111 1392282072 /nfs/dbraw/zinc/28/20/72/1392282072.db2.gz MDDGMXLENNRATH-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1CC ZINC001479639175 1392301093 /nfs/dbraw/zinc/30/10/93/1392301093.db2.gz ORXMOVPQJCCEJS-RBUKOAKNSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001479983811 1392517019 /nfs/dbraw/zinc/51/70/19/1392517019.db2.gz ZVPXKZKSNCUNNO-SFHVURJKSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001480267132 1392650902 /nfs/dbraw/zinc/65/09/02/1392650902.db2.gz GTNZICFJWNYPFL-QUCCMNQESA-N 2 0 343.515 3.084 10 30 EGEERP C=C(C)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001480384068 1392728707 /nfs/dbraw/zinc/72/87/07/1392728707.db2.gz USEHQAODGGJONR-MSOLQXFVSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001480723372 1392885273 /nfs/dbraw/zinc/88/52/73/1392885273.db2.gz CDZVNRQDSLOSPV-ICSRJNTNSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001480785729 1392931607 /nfs/dbraw/zinc/93/16/07/1392931607.db2.gz HKUROGRQMFSBLJ-NVXWUHKLSA-N 2 0 341.927 3.020 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001698914216 1406647842 /nfs/dbraw/zinc/64/78/42/1406647842.db2.gz LCILEJGYLYUBTR-CEXWTWQISA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001698919103 1406653238 /nfs/dbraw/zinc/65/32/38/1406653238.db2.gz WEXNOEIFZZELNK-IEBWSBKVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001490606833 1394280065 /nfs/dbraw/zinc/28/00/65/1394280065.db2.gz AVZDTXBQAGKFEQ-RBUKOAKNSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001481490596 1394335621 /nfs/dbraw/zinc/33/56/21/1394335621.db2.gz HSVTZQPJUMOUMH-QGZVFWFLSA-N 2 0 340.471 3.003 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001491253508 1394492340 /nfs/dbraw/zinc/49/23/40/1394492340.db2.gz NXDCXBQBYFKJBC-SFHVURJKSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001482005224 1394665522 /nfs/dbraw/zinc/66/55/22/1394665522.db2.gz GFPHMRRMJIGCFR-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH2+]C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CCCCC1 ZINC001482410895 1394975214 /nfs/dbraw/zinc/97/52/14/1394975214.db2.gz RDMBCXBQCHDBEU-FQEVSTJZSA-N 2 0 343.515 3.203 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001483836744 1395104089 /nfs/dbraw/zinc/10/40/89/1395104089.db2.gz KJUFMVQQCLFOLF-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001485085477 1395656160 /nfs/dbraw/zinc/65/61/60/1395656160.db2.gz TYZVSUNUXGGVKD-FQEVSTJZSA-N 2 0 349.563 3.245 10 30 EGEERP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001485435719 1395903396 /nfs/dbraw/zinc/90/33/96/1395903396.db2.gz ZBMWAGYRNBBTQK-QUCCMNQESA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC001485579876 1396053077 /nfs/dbraw/zinc/05/30/77/1396053077.db2.gz WLXRGEAOXWYTND-PKOBYXMFSA-N 2 0 349.563 3.288 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001502947654 1396234637 /nfs/dbraw/zinc/23/46/37/1396234637.db2.gz FPOUQJDLACOBAE-RBUKOAKNSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCCC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001495948373 1396574762 /nfs/dbraw/zinc/57/47/62/1396574762.db2.gz INTHUCXDIURWIV-SFHVURJKSA-N 2 0 335.536 3.236 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498480984 1397027648 /nfs/dbraw/zinc/02/76/48/1397027648.db2.gz ONJHZEXSVSOTFV-MOPGFXCFSA-N 2 0 349.563 3.482 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001690216083 1404424185 /nfs/dbraw/zinc/42/41/85/1404424185.db2.gz IYASQYJRNOXIQX-ZRNYENFQSA-N 2 0 347.547 3.137 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001690504164 1404616460 /nfs/dbraw/zinc/61/64/60/1404616460.db2.gz AHSYBFWWMRPDNI-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001691374692 1405218148 /nfs/dbraw/zinc/21/81/48/1405218148.db2.gz KFLQEUPYHTZHIE-XLIONFOSSA-N 2 0 343.515 3.155 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001691681577 1405416664 /nfs/dbraw/zinc/41/66/64/1405416664.db2.gz BAKVPWQSPPDXTR-ICSRJNTNSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001691695431 1405428877 /nfs/dbraw/zinc/42/88/77/1405428877.db2.gz AQUROKYDJAREOP-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001692076112 1405761812 /nfs/dbraw/zinc/76/18/12/1405761812.db2.gz AIFRSIIHXYROHJ-AQNXPRMDSA-N 2 0 349.563 3.079 10 30 EGEERP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001692124769 1405785920 /nfs/dbraw/zinc/78/59/20/1405785920.db2.gz PPLFDGAZKZGUOM-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001732049913 1428288983 /nfs/dbraw/zinc/28/89/83/1428288983.db2.gz BXUJMSCQAVMNCO-RBUKOAKNSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001732288335 1428515320 /nfs/dbraw/zinc/51/53/20/1428515320.db2.gz MHYLNSNPTYNHBG-PMACEKPBSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001732288345 1428515427 /nfs/dbraw/zinc/51/54/27/1428515427.db2.gz MHYLNSNPTYNHBG-VQTJNVASSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CC ZINC001699610458 1412975037 /nfs/dbraw/zinc/97/50/37/1412975037.db2.gz SGBVRQRBFHXNNI-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CCCCCC1 ZINC001699684902 1413081983 /nfs/dbraw/zinc/08/19/83/1413081983.db2.gz XCAGBRDNJZQFFG-QZTJIDSGSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001699805629 1413220111 /nfs/dbraw/zinc/22/01/11/1413220111.db2.gz VUWDHUFUEMUOFV-TZIWHRDSSA-N 2 0 349.563 3.388 10 30 EGEERP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)cc1 ZINC001700094397 1413508601 /nfs/dbraw/zinc/50/86/01/1413508601.db2.gz JMSKYHTZYZTWLN-PXNSSMCTSA-N 2 0 343.515 3.261 10 30 EGEERP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001700281749 1413726891 /nfs/dbraw/zinc/72/68/91/1413726891.db2.gz GWPMIEOLPGWSJD-IBGZPJMESA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001700281869 1413727468 /nfs/dbraw/zinc/72/74/68/1413727468.db2.gz IBDAHRLQHOABJW-UHFFFAOYSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001700314619 1413771411 /nfs/dbraw/zinc/77/14/11/1413771411.db2.gz VWOIVFWMMVRDFW-QZTJIDSGSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001700532614 1414199801 /nfs/dbraw/zinc/19/98/01/1414199801.db2.gz XANVWNIJVDUXGN-LJQANCHMSA-N 2 0 335.536 3.189 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001700989188 1414633018 /nfs/dbraw/zinc/63/30/18/1414633018.db2.gz XJPGYXRAQADOOC-ROUUACIJSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001701011116 1414670549 /nfs/dbraw/zinc/67/05/49/1414670549.db2.gz AYVUWXHXAFJJMD-ICSRJNTNSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001713184996 1417760432 /nfs/dbraw/zinc/76/04/32/1417760432.db2.gz VLFQMBDSUDVMFP-WOJBJXKFSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001713292643 1417920003 /nfs/dbraw/zinc/92/00/03/1417920003.db2.gz NFTDWGOLBZCQCY-UHFFFAOYSA-N 2 0 343.515 3.345 10 30 EGEERP CCCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001713395011 1418010840 /nfs/dbraw/zinc/01/08/40/1418010840.db2.gz ZTSQHOFSOJWWDT-RBUKOAKNSA-N 2 0 337.552 3.364 10 30 EGEERP C=CCCCCC[NH+]1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001713784084 1418600342 /nfs/dbraw/zinc/60/03/42/1418600342.db2.gz HTSVOKHYFOLOPG-UHFFFAOYSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1CC ZINC001733204353 1429311019 /nfs/dbraw/zinc/31/10/19/1429311019.db2.gz XGVQFVXQIMCKDJ-OALUTQOASA-N 2 0 349.563 3.291 10 30 EGEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001714813817 1419524873 /nfs/dbraw/zinc/52/48/73/1419524873.db2.gz IENRWAOZVRJWJP-FXAWDEMLSA-N 2 0 343.515 3.082 10 30 EGEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(C(C)C)cc1 ZINC001714832623 1419542758 /nfs/dbraw/zinc/54/27/58/1419542758.db2.gz LUXFEVKDYNMPSL-AHRSYUTCSA-N 2 0 343.515 3.083 10 30 EGEERP 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C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001734605235 1438185248 /nfs/dbraw/zinc/18/52/48/1438185248.db2.gz YBSNUJJMDBQOLB-QZTJIDSGSA-N 2 0 347.547 3.044 10 30 EGEERP COc1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1C#N ZINC000174399227 533675889 /nfs/dbraw/zinc/67/58/89/533675889.db2.gz QGGPESDAVKVZAD-UHFFFAOYSA-N 2 0 327.403 3.057 10 30 EGEERP Cc1cc(NCc2ccc(CN3CCOCC3)cc2)c(C#N)c(C)n1 ZINC000301772638 267349196 /nfs/dbraw/zinc/34/91/96/267349196.db2.gz JUEYNFYGPMEYAP-UHFFFAOYSA-N 2 0 336.439 3.014 10 30 EGEERP CCOCCC[N@@H+]1CC[C@H](NCC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000469770361 458590178 /nfs/dbraw/zinc/59/01/78/458590178.db2.gz UOEMWDLNSJEMLS-PXNSSMCTSA-N 2 0 348.918 3.418 10 30 EGEERP N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000590656435 459172951 /nfs/dbraw/zinc/17/29/51/459172951.db2.gz KNIHNUBHIDCILA-HKUYNNGSSA-N 2 0 327.472 3.333 10 30 EGEERP CC(C)(C#N)C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000598720386 460006221 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GZRLUVYDBVEGCO-YESZJQIVSA-N 2 0 345.487 3.372 10 30 EGEERP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1[O-] ZINC000866351060 1330100725 /nfs/dbraw/zinc/10/07/25/1330100725.db2.gz GQZRTYFVUNDEJX-WMZOPIPTSA-N 2 0 335.451 3.437 10 30 EGEERP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940747217 1331177805 /nfs/dbraw/zinc/17/78/05/1331177805.db2.gz IKWBLLHGSJSWKL-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940746109 1331178134 /nfs/dbraw/zinc/17/81/34/1331178134.db2.gz ZWNOFXOYAFEGTQ-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940971827 1331280899 /nfs/dbraw/zinc/28/08/99/1331280899.db2.gz DDMSNUFJLKXMOA-RTBURBONSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941075275 1331321218 /nfs/dbraw/zinc/32/12/18/1331321218.db2.gz JZQXRMOTSCWOJB-QZTJIDSGSA-N 2 0 335.536 3.042 10 30 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ZINC001327475734 1388530270 /nfs/dbraw/zinc/53/02/70/1388530270.db2.gz XTOCVJDKGDGGAO-UHFFFAOYSA-N 2 0 337.552 3.291 10 30 EGEERP C=CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001279574759 1378312155 /nfs/dbraw/zinc/31/21/55/1378312155.db2.gz BCLBTLVSFMKHER-ZCNNSNEGSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001282715095 1378573961 /nfs/dbraw/zinc/57/39/61/1378573961.db2.gz OHNFDLNXKXVPPJ-ZWKOTPCHSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001328620328 1388790790 /nfs/dbraw/zinc/79/07/90/1388790790.db2.gz HQSVCIUUEFMBFK-ICSRJNTNSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001316714768 1384535628 /nfs/dbraw/zinc/53/56/28/1384535628.db2.gz XXUFFWSPOMDRDH-UAFMIMERSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001316951558 1384726251 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C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001329301591 1389055294 /nfs/dbraw/zinc/05/52/94/1389055294.db2.gz BZMMSYFRBWBVIW-SFHVURJKSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001329923339 1389260714 /nfs/dbraw/zinc/26/07/14/1389260714.db2.gz KNEUFJZMUIPPKN-LJQANCHMSA-N 2 0 347.547 3.189 10 30 EGEERP C=CCCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001479569015 1392277981 /nfs/dbraw/zinc/27/79/81/1392277981.db2.gz CBHIDHVTCXDKQH-CEXWTWQISA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001479748608 1392366320 /nfs/dbraw/zinc/36/63/20/1392366320.db2.gz YZMIKTHHJBQQNC-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001480258926 1392642950 /nfs/dbraw/zinc/64/29/50/1392642950.db2.gz XFMJAGSXLLHYAR-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001480319820 1392680311 /nfs/dbraw/zinc/68/03/11/1392680311.db2.gz RDKBLMAKEUWTMU-VQTJNVASSA-N 2 0 347.547 3.330 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001480702384 1392865886 /nfs/dbraw/zinc/86/58/86/1392865886.db2.gz RELMHNJWSCHXCR-MOPGFXCFSA-N 2 0 337.552 3.316 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001481335613 1393166152 /nfs/dbraw/zinc/16/61/52/1393166152.db2.gz UTMQIEOLQOTTGC-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001490829970 1394356679 /nfs/dbraw/zinc/35/66/79/1394356679.db2.gz AZVYTRHCKUNJCU-KRWDZBQOSA-N 2 0 342.487 3.417 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001481515907 1394365059 /nfs/dbraw/zinc/36/50/59/1394365059.db2.gz HDBPTAUDMIAPHJ-UYAOXDASSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001482474279 1395028598 /nfs/dbraw/zinc/02/85/98/1395028598.db2.gz SMFYHRJYHNEEKO-MSOLQXFVSA-N 2 0 349.563 3.432 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001482481724 1395035157 /nfs/dbraw/zinc/03/51/57/1395035157.db2.gz KHCWXCHTWMCFAA-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001483845119 1395111474 /nfs/dbraw/zinc/11/14/74/1395111474.db2.gz GTDWQXPXGWOGTE-HXUWFJFHSA-N 2 0 349.563 3.223 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001484396941 1395366708 /nfs/dbraw/zinc/36/67/08/1395366708.db2.gz VPCWBYQPBNSMMZ-UFYCRDLUSA-N 2 0 349.563 3.338 10 30 EGEERP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001484401315 1395372837 /nfs/dbraw/zinc/37/28/37/1395372837.db2.gz IWDDKMHWQDPDBE-KDURUIRLSA-N 2 0 343.515 3.054 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001698988434 1406773951 /nfs/dbraw/zinc/77/39/51/1406773951.db2.gz BFOBUELRCSUXPE-MJGOQNOKSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001485457493 1395930284 /nfs/dbraw/zinc/93/02/84/1395930284.db2.gz NGPWLWHMOUZTIB-RBUKOAKNSA-N 2 0 347.547 3.378 10 30 EGEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001505401188 1396288628 /nfs/dbraw/zinc/28/86/28/1396288628.db2.gz QDXRMNRMHRGGSH-UHFFFAOYSA-N 2 0 349.563 3.389 10 30 EGEERP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001494686621 1396489409 /nfs/dbraw/zinc/48/94/09/1396489409.db2.gz WZJKZFGZJVZWFZ-GBESFXJTSA-N 2 0 335.536 3.116 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001689265181 1396997052 /nfs/dbraw/zinc/99/70/52/1396997052.db2.gz PKJQTYFVWPCUHU-VQTJNVASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001690450508 1404575124 /nfs/dbraw/zinc/57/51/24/1404575124.db2.gz KWEHMSZIUGJZBO-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001692085622 1405766073 /nfs/dbraw/zinc/76/60/73/1405766073.db2.gz BYUVPHWXPSLRRO-PVAVHDDUSA-N 2 0 343.943 3.076 10 30 EGEERP C=CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001692280378 1405915878 /nfs/dbraw/zinc/91/58/78/1405915878.db2.gz UWPOEGYTCWKNRE-GOSISDBHSA-N 2 0 335.536 3.045 10 30 EGEERP C=CC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001692325205 1405943777 /nfs/dbraw/zinc/94/37/77/1405943777.db2.gz CFKJPJICOLPFDP-GOSISDBHSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001732284205 1428514024 /nfs/dbraw/zinc/51/40/24/1428514024.db2.gz SHSRMMWPTIAXPZ-VQTJNVASSA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001732308494 1428522708 /nfs/dbraw/zinc/52/27/08/1428522708.db2.gz DKNBQKKHKCAGRD-GUDVDZBRSA-N 2 0 335.536 3.092 10 30 EGEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001732465507 1428595538 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SGBVRQRBFHXNNI-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001700280500 1413725628 /nfs/dbraw/zinc/72/56/28/1413725628.db2.gz MLJZOEDAJCJKCJ-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001700512573 1414162489 /nfs/dbraw/zinc/16/24/89/1414162489.db2.gz YIXXCYIVQAKSQZ-GOSISDBHSA-N 2 0 347.547 3.236 10 30 EGEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001713002898 1417556718 /nfs/dbraw/zinc/55/67/18/1417556718.db2.gz PMKJCFLTSPLBGD-PXNSSMCTSA-N 2 0 343.515 3.297 10 30 EGEERP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001713136262 1417717617 /nfs/dbraw/zinc/71/76/17/1417717617.db2.gz BOXGOPZQSFHUPQ-IBGZPJMESA-N 2 0 343.515 3.108 10 30 EGEERP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001713259473 1417866987 /nfs/dbraw/zinc/86/69/87/1417866987.db2.gz UFJYHHMWRPAVRZ-PMACEKPBSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH2+]C1CCC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001713291497 1417919037 /nfs/dbraw/zinc/91/90/37/1417919037.db2.gz NKSCROUWTKQAEE-MHJFOBGBSA-N 2 0 343.515 3.273 10 30 EGEERP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001714035903 1418824661 /nfs/dbraw/zinc/82/46/61/1418824661.db2.gz BGOFTQCYUMXMAW-IBGZPJMESA-N 2 0 349.563 3.293 10 30 EGEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001714803138 1419516746 /nfs/dbraw/zinc/51/67/46/1419516746.db2.gz KQXPBTDSTTVTMP-IEBWSBKVSA-N 2 0 347.547 3.044 10 30 EGEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(C(C)C)cc1 ZINC001714832626 1419542804 /nfs/dbraw/zinc/54/28/04/1419542804.db2.gz LUXFEVKDYNMPSL-NSISKUIASA-N 2 0 343.515 3.083 10 30 EGEERP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001714838145 1419550899 /nfs/dbraw/zinc/55/08/99/1419550899.db2.gz MGOAWQBSQQPIKN-YSIASYRMSA-N 2 0 343.515 3.130 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001715031919 1419764494 /nfs/dbraw/zinc/76/44/94/1419764494.db2.gz VFNMAYCUBYFPBM-MOPGFXCFSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001715094985 1419835428 /nfs/dbraw/zinc/83/54/28/1419835428.db2.gz SJBMVJQBJBPYSV-FUHWJXTLSA-N 2 0 347.503 3.138 10 30 EGEERP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001715393427 1420091029 /nfs/dbraw/zinc/09/10/29/1420091029.db2.gz ZUHVOAXPLMAYCU-PKOBYXMFSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001715408240 1420105870 /nfs/dbraw/zinc/10/58/70/1420105870.db2.gz DQGKYRSLJCTBKP-MJGOQNOKSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCCCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001715468936 1420147967 /nfs/dbraw/zinc/14/79/67/1420147967.db2.gz DCJALRUDCIKION-ICSRJNTNSA-N 2 0 349.563 3.291 10 30 EGEERP 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C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001284599626 1380000344 /nfs/dbraw/zinc/00/03/44/1380000344.db2.gz VYNRABKDXFAUSB-MOPGFXCFSA-N 2 0 349.563 3.480 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001328361228 1388729496 /nfs/dbraw/zinc/72/94/96/1388729496.db2.gz CMFOHDHIRYMXSD-GJZGRUSLSA-N 2 0 328.460 3.095 10 30 EGEERP C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001328588895 1388784227 /nfs/dbraw/zinc/78/42/27/1388784227.db2.gz OYIUCYPSLWYOQO-ICSRJNTNSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001328781034 1388858671 /nfs/dbraw/zinc/85/86/71/1388858671.db2.gz QFRAXPIGLPMOCH-UYAOXDASSA-N 2 0 349.563 3.384 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001316768848 1384568547 /nfs/dbraw/zinc/56/85/47/1384568547.db2.gz BGYBZJAJVXDFJY-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001316811705 1384609733 /nfs/dbraw/zinc/60/97/33/1384609733.db2.gz OIXZYFRYJAVCHS-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001317159589 1384923611 /nfs/dbraw/zinc/92/36/11/1384923611.db2.gz IXTYIWKKGJRHSG-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001317678133 1385385334 /nfs/dbraw/zinc/38/53/34/1385385334.db2.gz VPTHFMJCMKNZCG-AZUAARDMSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001318959053 1385898030 /nfs/dbraw/zinc/89/80/30/1385898030.db2.gz LDEIIVQYKPYUPG-WGSAOQKQSA-N 2 0 347.547 3.378 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001319141739 1385974845 /nfs/dbraw/zinc/97/48/45/1385974845.db2.gz HSUPETZOSUFILP-OALUTQOASA-N 2 0 349.563 3.242 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001319807643 1386306717 /nfs/dbraw/zinc/30/67/17/1386306717.db2.gz IYVUBWPOPIGLSU-RDJZCZTQSA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001319820559 1386316623 /nfs/dbraw/zinc/31/66/23/1386316623.db2.gz OUQSILNEGPAXCK-QZTJIDSGSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001333179663 1390261922 /nfs/dbraw/zinc/26/19/22/1390261922.db2.gz JMRSBPXUAONLQS-KRWDZBQOSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001698811388 1406498921 /nfs/dbraw/zinc/49/89/21/1406498921.db2.gz LYFMAUXLVMSLGR-IBGZPJMESA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001479687722 1392319553 /nfs/dbraw/zinc/31/95/53/1392319553.db2.gz MCYQNVAJRJCOOL-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001479739534 1392352418 /nfs/dbraw/zinc/35/24/18/1392352418.db2.gz AVEUSWJFTCCQLL-FQEVSTJZSA-N 2 0 343.515 3.251 10 30 EGEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001480103604 1392586960 /nfs/dbraw/zinc/58/69/60/1392586960.db2.gz VIWSOALHSPAJHN-SLFFLAALSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001481054763 1393107972 /nfs/dbraw/zinc/10/79/72/1393107972.db2.gz SIMOTBHQKZATDO-FHWLQOOXSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001481335212 1393166049 /nfs/dbraw/zinc/16/60/49/1393166049.db2.gz SASFKBWSXDIDSB-MJGOQNOKSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001481974121 1394636159 /nfs/dbraw/zinc/63/61/59/1394636159.db2.gz HZZGUZAIROYKPA-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001482041914 1394703839 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YOAXIRVWIFLDGE-FQEVSTJZSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001496338993 1396656377 /nfs/dbraw/zinc/65/63/77/1396656377.db2.gz DSJUGKDMIBRMPP-WBVHZDCISA-N 2 0 349.544 3.216 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001689261703 1396994377 /nfs/dbraw/zinc/99/43/77/1396994377.db2.gz BUQFSVKYHFESLP-CEXWTWQISA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)CC(C)(C)C1 ZINC001689365689 1403706369 /nfs/dbraw/zinc/70/63/69/1403706369.db2.gz LAQROXLEAWWKNG-MSOLQXFVSA-N 2 0 337.552 3.290 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001690473536 1404596810 /nfs/dbraw/zinc/59/68/10/1404596810.db2.gz YBKFUNFDURTHNA-QGZVFWFLSA-N 2 0 340.471 3.193 10 30 EGEERP C=CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001690814079 1404748841 /nfs/dbraw/zinc/74/88/41/1404748841.db2.gz ABPFHJIHKULTHD-RTBURBONSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001690826607 1404764375 /nfs/dbraw/zinc/76/43/75/1404764375.db2.gz KPJNHZVMDDHPDJ-PMACEKPBSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001691813978 1405528015 /nfs/dbraw/zinc/52/80/15/1405528015.db2.gz OTXKIXYEMKVQLT-ZWKOTPCHSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001691904485 1405626786 /nfs/dbraw/zinc/62/67/86/1405626786.db2.gz WFHOKCNXVBUVMN-FGTMMUONSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1CC ZINC001691995609 1405710709 /nfs/dbraw/zinc/71/07/09/1405710709.db2.gz JXENUKFYOYWESV-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001692339817 1405959316 /nfs/dbraw/zinc/95/93/16/1405959316.db2.gz AJBKVIKMSKEUKN-MOPGFXCFSA-N 2 0 335.536 3.022 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001732057881 1428303005 /nfs/dbraw/zinc/30/30/05/1428303005.db2.gz WJCFYXXYXGEOCV-LJQANCHMSA-N 2 0 343.515 3.156 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001732057880 1428303478 /nfs/dbraw/zinc/30/34/78/1428303478.db2.gz WJCFYXXYXGEOCV-IBGZPJMESA-N 2 0 343.515 3.156 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001733604237 1429814487 /nfs/dbraw/zinc/81/44/87/1429814487.db2.gz VUBMNYSDHBIWKF-OTWHNJEPSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001732273370 1428508845 /nfs/dbraw/zinc/50/88/45/1428508845.db2.gz TWGLHCWYQHQUAB-MOPGFXCFSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001699513705 1412899800 /nfs/dbraw/zinc/89/98/00/1412899800.db2.gz XGOXJALVGFOBIJ-WBVHZDCISA-N 2 0 349.544 3.264 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001699769964 1413175580 /nfs/dbraw/zinc/17/55/80/1413175580.db2.gz CFZZKIMZRYDQPF-QZTJIDSGSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001699805175 1413218419 /nfs/dbraw/zinc/21/84/19/1413218419.db2.gz NETGQIWCVVWBCO-HXUWFJFHSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001699844252 1413273166 /nfs/dbraw/zinc/27/31/66/1413273166.db2.gz KBFSXROILAJGGP-YLJYHZDGSA-N 2 0 337.552 3.147 10 30 EGEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001699849389 1413278229 /nfs/dbraw/zinc/27/82/29/1413278229.db2.gz UZZYUSXOOKABDU-ICSRJNTNSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C2 ZINC001699977084 1413419701 /nfs/dbraw/zinc/41/97/01/1413419701.db2.gz FIFPIQBIYYBSGT-KJFMYELZSA-N 2 0 347.547 3.185 10 30 EGEERP C=CC[NH2+]C1(CC)CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001700224273 1413673961 /nfs/dbraw/zinc/67/39/61/1413673961.db2.gz CMYJMFSXDJRRSR-UHFFFAOYSA-N 2 0 347.503 3.282 10 30 EGEERP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001700281414 1413726678 /nfs/dbraw/zinc/72/66/78/1413726678.db2.gz WNQUVZITJTWCDJ-LJQANCHMSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001700340177 1413819163 /nfs/dbraw/zinc/81/91/63/1413819163.db2.gz LVBMQLWTXUUPPT-HXUWFJFHSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001700340514 1413820034 /nfs/dbraw/zinc/82/00/34/1413820034.db2.gz YSCGBPYMPUISHQ-NLWGTHIKSA-N 2 0 349.563 3.242 10 30 EGEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001700356299 1413859094 /nfs/dbraw/zinc/85/90/94/1413859094.db2.gz GUVVWHHGDUEYND-PMACEKPBSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001700466285 1414073848 /nfs/dbraw/zinc/07/38/48/1414073848.db2.gz LITPVGQIUIXMRB-HUUCEWRRSA-N 2 0 328.460 3.048 10 30 EGEERP C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001700926998 1414579944 /nfs/dbraw/zinc/57/99/44/1414579944.db2.gz RYIHFDLMQPNYBA-RBUKOAKNSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]21 ZINC001732603889 1428855442 /nfs/dbraw/zinc/85/54/42/1428855442.db2.gz AEWQNQSGRUFRDY-ICSRJNTNSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001707142984 1417220387 /nfs/dbraw/zinc/22/03/87/1417220387.db2.gz RBLDQSNRAQQFJI-QUCCMNQESA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001707272766 1417279320 /nfs/dbraw/zinc/27/93/20/1417279320.db2.gz GXNBJUBWESIHLB-HSALFYBXSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713232669 1417819008 /nfs/dbraw/zinc/81/90/08/1417819008.db2.gz BURRFVRRECBFHW-AZUAARDMSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001713265373 1417873664 /nfs/dbraw/zinc/87/36/64/1417873664.db2.gz CVDYCAHIUOMBNR-UXHICEINSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001713442358 1418078354 /nfs/dbraw/zinc/07/83/54/1418078354.db2.gz NGAGGCRTKWFQLX-VQTJNVASSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001713511229 1418239344 /nfs/dbraw/zinc/23/93/44/1418239344.db2.gz PXURABYWTISZJL-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(N(CCC)C(=O)C[NH+]2CCCC2)CC1 ZINC001713857921 1418654450 /nfs/dbraw/zinc/65/44/50/1418654450.db2.gz DBSLBJNMNVHWQM-GOSISDBHSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCCCC[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001714191419 1418998098 /nfs/dbraw/zinc/99/80/98/1418998098.db2.gz LDEIIVQYKPYUPG-UHFFFAOYSA-N 2 0 347.547 3.378 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001714327056 1419105879 /nfs/dbraw/zinc/10/58/79/1419105879.db2.gz IMAXTJNSDSGZCW-VQTJNVASSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001714402974 1419145613 /nfs/dbraw/zinc/14/56/13/1419145613.db2.gz HKFFMSFHPWYWLA-OALUTQOASA-N 2 0 347.547 3.378 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001714410150 1419150002 /nfs/dbraw/zinc/15/00/02/1419150002.db2.gz CRWBIEGWJFQROE-QZTJIDSGSA-N 2 0 335.536 3.070 10 30 EGEERP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001714528251 1419255079 /nfs/dbraw/zinc/25/50/79/1419255079.db2.gz VOOUPQAWFVQGSH-MRXNPFEDSA-N 2 0 343.943 3.078 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001715048704 1419789499 /nfs/dbraw/zinc/78/94/99/1419789499.db2.gz XOIWIDPDKOZOCO-OALUTQOASA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1 ZINC001715095359 1419836253 /nfs/dbraw/zinc/83/62/53/1419836253.db2.gz RGWOSZUHZRZQHE-FGTMMUONSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001715206726 1419941193 /nfs/dbraw/zinc/94/11/93/1419941193.db2.gz PKDRCNZDFICYJF-PMACEKPBSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CCCCC1 ZINC001715400817 1420099845 /nfs/dbraw/zinc/09/98/45/1420099845.db2.gz DWKMZAMHCIGIGK-PMACEKPBSA-N 2 0 349.563 3.480 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001715458480 1420139188 /nfs/dbraw/zinc/13/91/88/1420139188.db2.gz IYJZJDAQOXBCPY-AZUAARDMSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001715478507 1420157026 /nfs/dbraw/zinc/15/70/26/1420157026.db2.gz XLSLPXPCHPBCRD-FQEVSTJZSA-N 2 0 349.563 3.245 10 30 EGEERP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001715933057 1420405019 /nfs/dbraw/zinc/40/50/19/1420405019.db2.gz LTMBFHAWOVLIOT-LJQANCHMSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1CC ZINC001716636122 1420793879 /nfs/dbraw/zinc/79/38/79/1420793879.db2.gz HLGBTVIAPGOGDY-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001716771051 1420914834 /nfs/dbraw/zinc/91/48/34/1420914834.db2.gz QSDOKSINIRXSLO-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001716877151 1421002583 /nfs/dbraw/zinc/00/25/83/1421002583.db2.gz XEJZXGBRAVAQKU-QUCCMNQESA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001717038101 1421092708 /nfs/dbraw/zinc/09/27/08/1421092708.db2.gz NOTFQOHNHQOSPU-RTBURBONSA-N 2 0 347.547 3.118 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001717115255 1421119419 /nfs/dbraw/zinc/11/94/19/1421119419.db2.gz KHLVDWYPNXNKDE-APWZRJJASA-N 2 0 329.488 3.014 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001717123533 1421126487 /nfs/dbraw/zinc/12/64/87/1421126487.db2.gz HJUYLRLMYSKPHP-IYARVYRRSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCCCC[NH2+]C1(CC)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001717240363 1421208903 /nfs/dbraw/zinc/20/89/03/1421208903.db2.gz VALGADXJRXSDMU-UHFFFAOYSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001717241094 1421209740 /nfs/dbraw/zinc/20/97/40/1421209740.db2.gz WRZUJEDREKXSPG-UHFFFAOYSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001717458557 1421387694 /nfs/dbraw/zinc/38/76/94/1421387694.db2.gz XGAOKELSAIZPKA-GOSISDBHSA-N 2 0 337.552 3.290 10 30 EGEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001733424796 1429631826 /nfs/dbraw/zinc/63/18/26/1429631826.db2.gz FYZGUIJYOXXSRJ-NQIIRXRSSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001733436530 1429643901 /nfs/dbraw/zinc/64/39/01/1429643901.db2.gz ATESCGRZYOHKGH-AZUAARDMSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001733458472 1429679357 /nfs/dbraw/zinc/67/93/57/1429679357.db2.gz GSRWBVWRXUUCMV-AZUAARDMSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001733463743 1429693542 /nfs/dbraw/zinc/69/35/42/1429693542.db2.gz CRJOGJHYGDZDLP-UYAOXDASSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001723617844 1424495625 /nfs/dbraw/zinc/49/56/25/1424495625.db2.gz OLCRKJIUPRGIIK-UMQXSMKFSA-N 2 0 347.547 3.329 10 30 EGEERP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001733539350 1429745185 /nfs/dbraw/zinc/74/51/85/1429745185.db2.gz XHAVFBGPYDATMA-MOPGFXCFSA-N 2 0 349.563 3.291 10 30 EGEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001724605626 1424939831 /nfs/dbraw/zinc/93/98/31/1424939831.db2.gz DMLIUBKRPIXVBJ-BJLQDIEVSA-N 2 0 347.547 3.092 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001724652262 1425013261 /nfs/dbraw/zinc/01/32/61/1425013261.db2.gz RKJQVZNMIPEHLT-MOPGFXCFSA-N 2 0 335.536 3.118 10 30 EGEERP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001725241491 1425846578 /nfs/dbraw/zinc/84/65/78/1425846578.db2.gz PEFBGAZAXSFEJZ-WOJBJXKFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC1(C)C ZINC001725677258 1426363064 /nfs/dbraw/zinc/36/30/64/1426363064.db2.gz NQYGZNLEINDMQT-MJGOQNOKSA-N 2 0 349.563 3.288 10 30 EGEERP C=C(C)CC[N@@H+](C)CCN(C(=O)c1ccn2c(C)cnc2c1)C(C)C ZINC001725727976 1426392701 /nfs/dbraw/zinc/39/27/01/1426392701.db2.gz INJTURWEWADFCK-UHFFFAOYSA-N 2 0 342.487 3.391 10 30 EGEERP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001731541505 1427549900 /nfs/dbraw/zinc/54/99/00/1427549900.db2.gz CBVRRMSFRYREBX-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001731551580 1427572113 /nfs/dbraw/zinc/57/21/13/1427572113.db2.gz LODRHKYNHFAHHQ-UXHICEINSA-N 2 0 347.547 3.282 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001733598968 1429799120 /nfs/dbraw/zinc/79/91/20/1429799120.db2.gz VQCJAAQWVZZGDQ-OTWHNJEPSA-N 2 0 335.536 3.116 10 30 EGEERP 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 1429903097 /nfs/dbraw/zinc/90/30/97/1429903097.db2.gz XXZGTGMUWVQWAT-LTFPLMDUSA-N 2 0 349.563 3.336 10 30 EGEERP C=C(C)C[NH+]1Cc2ccc(CNC(=O)CC[C@H]3CCC[N@H+]3C)cc2C1 ZINC001733835281 1430106874 /nfs/dbraw/zinc/10/68/74/1430106874.db2.gz BROIZIYCSWNTSY-HXUWFJFHSA-N 2 0 341.499 3.069 10 30 EGEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001733898233 1437715245 /nfs/dbraw/zinc/71/52/45/1437715245.db2.gz IFWUEIZSCKBBEF-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(Cl)C[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001734088355 1437873417 /nfs/dbraw/zinc/87/34/17/1437873417.db2.gz RMYKFYQAKCANEP-MRXNPFEDSA-N 2 0 341.927 3.022 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC001734497447 1438133166 /nfs/dbraw/zinc/13/31/66/1438133166.db2.gz REEKHWNXIYNSDL-RBUKOAKNSA-N 2 0 349.563 3.125 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001750946218 1440118967 /nfs/dbraw/zinc/11/89/67/1440118967.db2.gz YKIIYQNRGXVSKL-MOPGFXCFSA-N 2 0 349.563 3.290 10 30 EGEERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352836100 456351257 /nfs/dbraw/zinc/35/12/57/456351257.db2.gz JNEXACCRURNXRT-OAHLLOKOSA-N 2 0 343.393 3.023 10 30 EGEERP C=CCC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000414312116 458317394 /nfs/dbraw/zinc/31/73/94/458317394.db2.gz VYYHAEUCEAQUNH-FQEVSTJZSA-N 2 0 328.500 3.348 10 30 EGEERP CSC1(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC[NH+](C)CC1 ZINC000594521395 459078638 /nfs/dbraw/zinc/07/86/38/459078638.db2.gz QNNATXXKFCYPCR-UHFFFAOYSA-N 2 0 331.529 3.405 10 30 EGEERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CCN(CC#N)CC2)CC1 ZINC000590645508 459171689 /nfs/dbraw/zinc/17/16/89/459171689.db2.gz CDHKOTHYYPKJAJ-UHFFFAOYSA-N 2 0 334.552 3.243 10 30 EGEERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000594967834 459200232 /nfs/dbraw/zinc/20/02/32/459200232.db2.gz IDRVYVNHNJYQPD-UHFFFAOYSA-N 2 0 331.423 3.472 10 30 EGEERP N#Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000595048331 459228021 /nfs/dbraw/zinc/22/80/21/459228021.db2.gz KDFHZTNZTYGIBI-OAQYLSRUSA-N 2 0 339.483 3.026 10 30 EGEERP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)[C@H](c2ccccc2)C1 ZINC000592404484 459595730 /nfs/dbraw/zinc/59/57/30/459595730.db2.gz YQOXRNWFLODDRZ-BAGYTPMASA-N 2 0 331.463 3.481 10 30 EGEERP CC1(C#N)CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000611561423 460399844 /nfs/dbraw/zinc/39/98/44/460399844.db2.gz OOZNYJPNQMPCAQ-UHFFFAOYSA-N 2 0 327.472 3.287 10 30 EGEERP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000651663447 462295040 /nfs/dbraw/zinc/29/50/40/462295040.db2.gz LKMABFANCNXXPD-GIVPXCGWSA-N 2 0 327.516 3.310 10 30 EGEERP C=CC[C@@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000651831888 462352744 /nfs/dbraw/zinc/35/27/44/462352744.db2.gz MTXGUQSJEWWSPY-UYAOXDASSA-N 2 0 328.500 3.348 10 30 EGEERP CN(C(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000252570766 1296461487 /nfs/dbraw/zinc/46/14/87/1296461487.db2.gz XCJFIBMJSUDHRY-YOEHRIQHSA-N 2 0 334.895 3.132 10 30 EGEERP Cc1cc(C#N)ccc1CN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000705663058 1298215614 /nfs/dbraw/zinc/21/56/14/1298215614.db2.gz RETPTTKSYSLHLP-FGZHOGPDSA-N 2 0 331.463 3.431 10 30 EGEERP C=CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000883172485 1302284041 /nfs/dbraw/zinc/28/40/41/1302284041.db2.gz IJSUULGLTDRVOL-FPOVZHCZSA-N 2 0 329.532 3.180 10 30 EGEERP N#CC1CCC([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000895646981 1309447395 /nfs/dbraw/zinc/44/73/95/1309447395.db2.gz IIQCMMXBFZICMR-UHFFFAOYSA-N 2 0 341.499 3.076 10 30 EGEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000899968726 1317210285 /nfs/dbraw/zinc/21/02/85/1317210285.db2.gz HZMLCLQTJKVNPE-GOSISDBHSA-N 2 0 349.906 3.101 10 30 EGEERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CCCCC#N)cc2)C[C@H](C)O1 ZINC000930858185 1328989473 /nfs/dbraw/zinc/98/94/73/1328989473.db2.gz JJZJEVWGCSLMDD-HDICACEKSA-N 2 0 329.488 3.421 10 30 EGEERP Cc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1C#N ZINC000925839022 1325323097 /nfs/dbraw/zinc/32/30/97/1325323097.db2.gz OTWIPYIWTXHOFL-TZIWHRDSSA-N 2 0 333.435 3.212 10 30 EGEERP C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866616935 1330133538 /nfs/dbraw/zinc/13/35/38/1330133538.db2.gz CSTCZCNHYNVFII-KKSFZXQISA-N 2 0 349.478 3.317 10 30 EGEERP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801660 1331199793 /nfs/dbraw/zinc/19/97/93/1331199793.db2.gz WEXGOEXUTPCXRC-MOPGFXCFSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001323148144 1387302830 /nfs/dbraw/zinc/30/28/30/1387302830.db2.gz JSFZAAQBDCSJSO-ICSRJNTNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001323148142 1387302967 /nfs/dbraw/zinc/30/29/67/1387302967.db2.gz JSFZAAQBDCSJSO-AZUAARDMSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001323816307 1387466967 /nfs/dbraw/zinc/46/69/67/1387466967.db2.gz NOESBWJNBPQXQP-PZJWPPBQSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001265619565 1377155201 /nfs/dbraw/zinc/15/52/01/1377155201.db2.gz PBOPRKILZJNJGG-LJQANCHMSA-N 2 0 349.563 3.435 10 30 EGEERP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001267054766 1377409446 /nfs/dbraw/zinc/40/94/46/1377409446.db2.gz BZAXZFVDNWRFOI-FHWLQOOXSA-N 2 0 337.552 3.125 10 30 EGEERP C=CCCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C)cc2C1 ZINC001327685519 1388581877 /nfs/dbraw/zinc/58/18/77/1388581877.db2.gz PEMGESZADHZJRD-HXUWFJFHSA-N 2 0 341.499 3.069 10 30 EGEERP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC001284058359 1379410505 /nfs/dbraw/zinc/41/05/05/1379410505.db2.gz QJGSWDYCGIHRFO-WERVVEIQSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001284127824 1379503191 /nfs/dbraw/zinc/50/31/91/1379503191.db2.gz FQYAKYRMAFXENB-WMZOPIPTSA-N 2 0 335.536 3.185 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001327902398 1388619626 /nfs/dbraw/zinc/61/96/26/1388619626.db2.gz LMITZRHOUIZIAC-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC1(C)C ZINC001284321972 1379711793 /nfs/dbraw/zinc/71/17/93/1379711793.db2.gz DXABLDVNVSNPIZ-IRXDYDNUSA-N 2 0 337.552 3.146 10 30 EGEERP 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C=CC[NH+]1CCC[C@H]1CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001480824165 1392962562 /nfs/dbraw/zinc/96/25/62/1392962562.db2.gz OPDLONGFMAPZNF-GOSISDBHSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001698930573 1406667194 /nfs/dbraw/zinc/66/71/94/1406667194.db2.gz CDZFGUPSAXKGAD-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001482070922 1394733607 /nfs/dbraw/zinc/73/36/07/1394733607.db2.gz YACDFEJLSUJSFW-RTBURBONSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001482423058 1394984841 /nfs/dbraw/zinc/98/48/41/1394984841.db2.gz IHWFTMFFMYWGPC-IEBWSBKVSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001484021973 1395194042 /nfs/dbraw/zinc/19/40/42/1395194042.db2.gz GVLZNFWMXZKSAT-FPOVZHCZSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001484396942 1395366885 /nfs/dbraw/zinc/36/68/85/1395366885.db2.gz VPCWBYQPBNSMMZ-VAMGGRTRSA-N 2 0 349.563 3.338 10 30 EGEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001484561617 1395447634 /nfs/dbraw/zinc/44/76/34/1395447634.db2.gz OQRFKNDLRLEALQ-QKLQHJQFSA-N 2 0 343.515 3.260 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001484618717 1395452606 /nfs/dbraw/zinc/45/26/06/1395452606.db2.gz SMNDQHIVTMITOR-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001484827643 1395564632 /nfs/dbraw/zinc/56/46/32/1395564632.db2.gz RIMPAJUVJJPEGF-ICSRJNTNSA-N 2 0 347.547 3.140 10 30 EGEERP C=CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001485435720 1395903483 /nfs/dbraw/zinc/90/34/83/1395903483.db2.gz ZBMWAGYRNBBTQK-UYAOXDASSA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001485457490 1395930392 /nfs/dbraw/zinc/93/03/92/1395930392.db2.gz NGPWLWHMOUZTIB-OALUTQOASA-N 2 0 347.547 3.378 10 30 EGEERP CCCCCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001485570863 1396035166 /nfs/dbraw/zinc/03/51/66/1396035166.db2.gz UNQXGQSXQSMFQA-MOPGFXCFSA-N 2 0 349.563 3.125 10 30 EGEERP C=CCCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001485658875 1396089244 /nfs/dbraw/zinc/08/92/44/1396089244.db2.gz ZQKUZSAVHXSMRC-SLFFLAALSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001493130877 1396336983 /nfs/dbraw/zinc/33/69/83/1396336983.db2.gz QZMTVXPGNZBHLE-PMACEKPBSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001496338990 1396656324 /nfs/dbraw/zinc/65/63/24/1396656324.db2.gz DSJUGKDMIBRMPP-RDJZCZTQSA-N 2 0 349.544 3.216 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001689265180 1396997226 /nfs/dbraw/zinc/99/72/26/1396997226.db2.gz PKJQTYFVWPCUHU-UXHICEINSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001690823159 1404759407 /nfs/dbraw/zinc/75/94/07/1404759407.db2.gz TXQQVLXUKJUZLJ-VQTJNVASSA-N 2 0 343.515 3.178 10 30 EGEERP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001691632656 1405370046 /nfs/dbraw/zinc/37/00/46/1405370046.db2.gz NHDPQDPYCARYEK-WOJBJXKFSA-N 2 0 343.515 3.226 10 30 EGEERP CCCCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001691790171 1405499637 /nfs/dbraw/zinc/49/96/37/1405499637.db2.gz JUCUYKWAUZFHIU-RBUKOAKNSA-N 2 0 337.552 3.364 10 30 EGEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691807258 1405519382 /nfs/dbraw/zinc/51/93/82/1405519382.db2.gz LNBQVKYGOGWUPE-QWFCFKBJSA-N 2 0 347.547 3.234 10 30 EGEERP C=CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001692023111 1405741686 /nfs/dbraw/zinc/74/16/86/1405741686.db2.gz OGLOEVRCCGFFOV-FQEVSTJZSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001692121033 1405783630 /nfs/dbraw/zinc/78/36/30/1405783630.db2.gz MPOZYALWWIWZRY-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP 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 1405793718 /nfs/dbraw/zinc/79/37/18/1405793718.db2.gz BMCRUGKWUOZUID-NZSAHSFTSA-N 2 0 349.563 3.146 10 30 EGEERP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001692255147 1405882096 /nfs/dbraw/zinc/88/20/96/1405882096.db2.gz ZBNCOUNBKCRPIR-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001732284201 1428513903 /nfs/dbraw/zinc/51/39/03/1428513903.db2.gz SHSRMMWPTIAXPZ-PMACEKPBSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001699513704 1412899713 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337.552 3.220 10 30 EGEERP C=C(C)C[NH+]1CCC(N(CCC)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001713100901 1417653892 /nfs/dbraw/zinc/65/38/92/1417653892.db2.gz IXTGEXHDJUFRSC-GOSISDBHSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713131547 1417705400 /nfs/dbraw/zinc/70/54/00/1417705400.db2.gz HALAAKXCZMGTJN-QUCCMNQESA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001713266976 1417876236 /nfs/dbraw/zinc/87/62/36/1417876236.db2.gz OYGRGUNOXKITLU-MOPGFXCFSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001713288926 1417915880 /nfs/dbraw/zinc/91/58/80/1417915880.db2.gz ASVLEZGHQXSRMF-UHFFFAOYSA-N 2 0 335.536 3.092 10 30 EGEERP C=C(C)CC[N@@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001713689325 1418442974 /nfs/dbraw/zinc/44/29/74/1418442974.db2.gz BSALXOUOGRFNAW-RTBURBONSA-N 2 0 335.536 3.186 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001713790122 1418607860 /nfs/dbraw/zinc/60/78/60/1418607860.db2.gz JZCHGLWKXFCZRE-GOSISDBHSA-N 2 0 335.536 3.166 10 30 EGEERP C=C(C)CC[NH2+]C[C@@]1(NC(=O)CC[NH+]2CCCCC2)CCCC[C@@H]1C ZINC001714188877 1418995427 /nfs/dbraw/zinc/99/54/27/1418995427.db2.gz YLWWONHCRUHVDO-FPOVZHCZSA-N 2 0 349.563 3.483 10 30 EGEERP C=CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001714290927 1419069815 /nfs/dbraw/zinc/06/98/15/1419069815.db2.gz GRMXEBBOQUKVQG-IBGZPJMESA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001714609122 1419368172 /nfs/dbraw/zinc/36/81/72/1419368172.db2.gz AIIFTMAPUAKLMB-IBGZPJMESA-N 2 0 335.536 3.188 10 30 EGEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715437996 1420123519 /nfs/dbraw/zinc/12/35/19/1420123519.db2.gz SCGZLMNNGSKOMC-QUCCMNQESA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001716712825 1420865461 /nfs/dbraw/zinc/86/54/61/1420865461.db2.gz ZVDJYSBSILVGJW-UXHICEINSA-N 2 0 347.547 3.284 10 30 EGEERP C=CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CCCCCC1 ZINC001733278537 1429446855 /nfs/dbraw/zinc/44/68/55/1429446855.db2.gz SMPKAQBMIWKTGG-IBGZPJMESA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCC1 ZINC001716818329 1420944541 /nfs/dbraw/zinc/94/45/41/1420944541.db2.gz BETFWMWPSAFUKR-LJQANCHMSA-N 2 0 347.547 3.093 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001716895886 1421022917 /nfs/dbraw/zinc/02/29/17/1421022917.db2.gz NKCYIFYXGOVMJH-UYAOXDASSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001717039293 1421093564 /nfs/dbraw/zinc/09/35/64/1421093564.db2.gz XJDCTALBJMILIP-VQTJNVASSA-N 2 0 347.547 3.284 10 30 EGEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001717240550 1421208895 /nfs/dbraw/zinc/20/88/95/1421208895.db2.gz BQKUYYNUAFDWPE-SFHVURJKSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001717526459 1421462020 /nfs/dbraw/zinc/46/20/20/1421462020.db2.gz DCYTXKLFHOUXOM-QZTJIDSGSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCCCC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001717700918 1421574001 /nfs/dbraw/zinc/57/40/01/1421574001.db2.gz LGQZSIMEUOVCNC-VQTJNVASSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001717721813 1421590179 /nfs/dbraw/zinc/59/01/79/1421590179.db2.gz QCDDQHKMOHSNJZ-IAGOWNOFSA-N 2 0 343.943 3.124 10 30 EGEERP C=CCCC[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC1(C)C ZINC001717895742 1421693799 /nfs/dbraw/zinc/69/37/99/1421693799.db2.gz SCAPKWNFGLIVOO-MRXNPFEDSA-N 2 0 349.544 3.216 10 30 EGEERP CCCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001733435349 1429642299 /nfs/dbraw/zinc/64/22/99/1429642299.db2.gz POYZXKVNQKYBGL-HXUWFJFHSA-N 2 0 337.552 3.127 10 30 EGEERP C=CCC[NH+]1CCC[C@](C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001733463771 1429693680 /nfs/dbraw/zinc/69/36/80/1429693680.db2.gz VSPGKWZCCQCVDX-OAQYLSRUSA-N 2 0 349.563 3.435 10 30 EGEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1CC ZINC001733518432 1429727966 /nfs/dbraw/zinc/72/79/66/1429727966.db2.gz NNNPPGZHVGUMED-WOJBJXKFSA-N 2 0 343.515 3.055 10 30 EGEERP C=C(C)C[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CCCCCC1 ZINC001723639881 1424505297 /nfs/dbraw/zinc/50/52/97/1424505297.db2.gz HGNADKHHZFYSPY-NRFANRHFSA-N 2 0 347.547 3.189 10 30 EGEERP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001724164528 1424700530 /nfs/dbraw/zinc/70/05/30/1424700530.db2.gz GEYCRXUARUWNLA-LJQANCHMSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001724294784 1424779867 /nfs/dbraw/zinc/77/98/67/1424779867.db2.gz YPKYRHBOKXZJID-RBUKOAKNSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001724659249 1425033383 /nfs/dbraw/zinc/03/33/83/1425033383.db2.gz UZOZCSMDLVSWAC-WOJBJXKFSA-N 2 0 347.547 3.282 10 30 EGEERP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001724736283 1425092431 /nfs/dbraw/zinc/09/24/31/1425092431.db2.gz FZRYITBDXUHVAP-FQEVSTJZSA-N 2 0 343.515 3.184 10 30 EGEERP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001724869769 1425252713 /nfs/dbraw/zinc/25/27/13/1425252713.db2.gz WBJPYEYJPCSLTK-PMACEKPBSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001725028275 1425449427 /nfs/dbraw/zinc/44/94/27/1425449427.db2.gz XWAAPBLMWAYSNG-AZUAARDMSA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001725649778 1426333054 /nfs/dbraw/zinc/33/30/54/1426333054.db2.gz BJZQFDIHDWXCOM-PXNSSMCTSA-N 2 0 343.515 3.203 10 30 EGEERP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001731756645 1427858431 /nfs/dbraw/zinc/85/84/31/1427858431.db2.gz CAQULGUWXPNGJI-IBGZPJMESA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001733764231 1429983796 /nfs/dbraw/zinc/98/37/96/1429983796.db2.gz FUFWPOLERLMPBY-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001733813794 1430094625 /nfs/dbraw/zinc/09/46/25/1430094625.db2.gz QSQACCTXQQZAPT-OAQYLSRUSA-N 2 0 347.547 3.143 10 30 EGEERP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001734012041 1437803360 /nfs/dbraw/zinc/80/33/60/1437803360.db2.gz BOKBASQVTDGENR-CTWPCTMYSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001734195935 1437937201 /nfs/dbraw/zinc/93/72/01/1437937201.db2.gz PRTGDODAXVRIMI-RBUKOAKNSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001734304569 1438035804 /nfs/dbraw/zinc/03/58/04/1438035804.db2.gz KXDLCYKOQSUBHN-VQTJNVASSA-N 2 0 347.547 3.186 10 30 EGEERP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@H]21 ZINC001734441121 1438103255 /nfs/dbraw/zinc/10/32/55/1438103255.db2.gz BVKRBTWQXAVVRU-DFQSSKMNSA-N 2 0 347.547 3.044 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC001734442311 1438104412 /nfs/dbraw/zinc/10/44/12/1438104412.db2.gz PZCSEJCHLJEHJT-PZJWPPBQSA-N 2 0 349.563 3.412 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001734605234 1438185445 /nfs/dbraw/zinc/18/54/45/1438185445.db2.gz YBSNUJJMDBQOLB-MSOLQXFVSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCCC[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001734628069 1438191984 /nfs/dbraw/zinc/19/19/84/1438191984.db2.gz PLZJOQORENKWNO-UHFFFAOYSA-N 2 0 347.547 3.213 10 30 EGEERP CNC(=[NH2+])c1ccc(-c2ccc(-c3ccc(C(=[NH2+])NC)cc3)o2)cc1 ZINC000005834024 210545257 /nfs/dbraw/zinc/54/52/57/210545257.db2.gz PJXXOTMPTCSMBW-UHFFFAOYSA-N 2 0 332.407 3.284 10 30 EGEERP N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000600727688 460582037 /nfs/dbraw/zinc/58/20/37/460582037.db2.gz QDWRJRYPGGGHJN-HXUWFJFHSA-N 2 0 341.499 3.207 10 30 EGEERP CCC[NH+]1CCN(c2ccccc2CN2CCC[C@@](C)(C#N)C2)CC1 ZINC000612406463 460622580 /nfs/dbraw/zinc/62/25/80/460622580.db2.gz MUCNJCYFJRHJGC-NRFANRHFSA-N 2 0 340.515 3.344 10 30 EGEERP C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000071825375 454225915 /nfs/dbraw/zinc/22/59/15/454225915.db2.gz ARKWIVUFJPGAKV-KRWDZBQOSA-N 2 0 334.467 3.161 10 30 EGEERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000423016356 458429347 /nfs/dbraw/zinc/42/93/47/458429347.db2.gz MKWWFLXOYNBVNY-JHVJFLLYSA-N 2 0 335.451 3.067 10 30 EGEERP C[NH+](C)CCCC1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000582066203 459301107 /nfs/dbraw/zinc/30/11/07/459301107.db2.gz TVZWZNZERUGZSQ-UHFFFAOYSA-N 2 0 330.432 3.020 10 30 EGEERP C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)C(C)C ZINC000662380373 461224020 /nfs/dbraw/zinc/22/40/20/461224020.db2.gz KSSIZCKUQHQPIL-VQTJNVASSA-N 2 0 341.499 3.036 10 30 EGEERP C=CC[C@@]1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCC[NH2+]1 ZINC000662673891 461343801 /nfs/dbraw/zinc/34/38/01/461343801.db2.gz RZGSCWHNLKMPOZ-FQEVSTJZSA-N 2 0 345.487 3.044 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000876743985 1298955382 /nfs/dbraw/zinc/95/53/82/1298955382.db2.gz OWTJSKREZKTWKA-GOSISDBHSA-N 2 0 349.906 3.149 10 30 EGEERP C=CCOc1ccc(C[N@H+](CCOC)CC2CC[NH+](C)CC2)cc1 ZINC000877665098 1299466075 /nfs/dbraw/zinc/46/60/75/1299466075.db2.gz HFUUOCZLJAEWLT-UHFFFAOYSA-N 2 0 332.488 3.042 10 30 EGEERP CC1(C)[C@@H]([NH2+]CCSCc2ccccc2C#N)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925620136 1325234626 /nfs/dbraw/zinc/23/46/26/1325234626.db2.gz DNOZPLNJXHUEAU-SQNIBIBYSA-N 2 0 329.513 3.158 10 30 EGEERP C#CC[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000862445073 1329487927 /nfs/dbraw/zinc/48/79/27/1329487927.db2.gz LGWITDDQGFTXRW-SFHVURJKSA-N 2 0 325.500 3.062 10 30 EGEERP COc1ccc(C(C)=NNc2cc[nH+]cc2C)cc1C[NH+]1CCCC1 ZINC000863158153 1329530852 /nfs/dbraw/zinc/53/08/52/1329530852.db2.gz ZVWMOCIGBIWCBE-UHFFFAOYSA-N 2 0 338.455 3.252 10 30 EGEERP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(c3ccccc3C#N)CC2)CC1 ZINC000866448180 1330113822 /nfs/dbraw/zinc/11/38/22/1330113822.db2.gz AVAUNBHRZNHCFI-UHFFFAOYSA-N 2 0 340.515 3.380 10 30 EGEERP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000940743480 1331176067 /nfs/dbraw/zinc/17/60/67/1331176067.db2.gz ATGVJKHBOWMTKF-MJGOQNOKSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075957 1331321681 /nfs/dbraw/zinc/32/16/81/1331321681.db2.gz RMIZAJFHXZNISD-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001323815534 1387466726 /nfs/dbraw/zinc/46/67/26/1387466726.db2.gz FDVVBKITTRWXRI-OAQYLSRUSA-N 2 0 347.547 3.143 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001324286890 1387582334 /nfs/dbraw/zinc/58/23/34/1387582334.db2.gz VICAFUQGMHDBNC-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1CCC(C)(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001324342597 1387600282 /nfs/dbraw/zinc/60/02/82/1387600282.db2.gz IFAOQIFPPGZYIK-UHFFFAOYSA-N 2 0 343.515 3.299 10 30 EGEERP 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 1388016370 /nfs/dbraw/zinc/01/63/70/1388016370.db2.gz SXDZTBBWZRNEAN-UHZRXMQZSA-N 2 0 349.563 3.287 10 30 EGEERP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001325899326 1388072336 /nfs/dbraw/zinc/07/23/36/1388072336.db2.gz OZIISSSGYWHQID-RBUKOAKNSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC001326468123 1388203397 /nfs/dbraw/zinc/20/33/97/1388203397.db2.gz KCPMVEVDMACXTE-LSTHTHJFSA-N 2 0 343.515 3.260 10 30 EGEERP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001326480386 1388208771 /nfs/dbraw/zinc/20/87/71/1388208771.db2.gz MNNCDANHQOFTSZ-MSOLQXFVSA-N 2 0 343.515 3.404 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001266877228 1377398635 /nfs/dbraw/zinc/39/86/35/1377398635.db2.gz JBTUPNMNTSKDDF-RTBURBONSA-N 2 0 335.536 3.186 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001268045129 1377483462 /nfs/dbraw/zinc/48/34/62/1377483462.db2.gz RPWMNUGOPVZPDF-RTBURBONSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)cc2C1 ZINC001281305004 1378414641 /nfs/dbraw/zinc/41/46/41/1378414641.db2.gz OVTCQHVKCRMPJP-IRXDYDNUSA-N 2 0 341.499 3.067 10 30 EGEERP C=CCC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001282275310 1378494189 /nfs/dbraw/zinc/49/41/89/1378494189.db2.gz ZBPSRBFBTPCGCQ-UHFFFAOYSA-N 2 0 347.547 3.044 10 30 EGEERP CCCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001282965832 1378690598 /nfs/dbraw/zinc/69/05/98/1378690598.db2.gz BVLWKVSOBMXGNN-IBGZPJMESA-N 2 0 349.563 3.366 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001327695536 1388585646 /nfs/dbraw/zinc/58/56/46/1388585646.db2.gz INJWNPLJRRCEEQ-OXJNMPFZSA-N 2 0 341.499 3.067 10 30 EGEERP CCCCCCC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001327921876 1388623096 /nfs/dbraw/zinc/62/30/96/1388623096.db2.gz CBAQOYXGFHHWKB-MJGOQNOKSA-N 2 0 337.552 3.125 10 30 EGEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001284631249 1380035446 /nfs/dbraw/zinc/03/54/46/1380035446.db2.gz MNJHFSDMKZGTDH-HOTGVXAUSA-N 2 0 343.943 3.124 10 30 EGEERP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001328781032 1388858791 /nfs/dbraw/zinc/85/87/91/1388858791.db2.gz QFRAXPIGLPMOCH-ICSRJNTNSA-N 2 0 349.563 3.384 10 30 EGEERP C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001308555927 1384132880 /nfs/dbraw/zinc/13/28/80/1384132880.db2.gz VOTNYEXJWWESTH-VQTJNVASSA-N 2 0 327.516 3.315 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001316933515 1384704595 /nfs/dbraw/zinc/70/45/95/1384704595.db2.gz MPYDKAHQTFOUHF-KRWDZBQOSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317051000 1384827422 /nfs/dbraw/zinc/82/74/22/1384827422.db2.gz NYMXDUPQDJJWIG-LWYYNNOASA-N 2 0 347.547 3.138 10 30 EGEERP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001317725866 1385425400 /nfs/dbraw/zinc/42/54/00/1385425400.db2.gz XSTSBEZZZLAIDY-WOJBJXKFSA-N 2 0 343.515 3.273 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001318966622 1385901516 /nfs/dbraw/zinc/90/15/16/1385901516.db2.gz VQFDKFVNPNSHDW-MUGJNUQGSA-N 2 0 349.563 3.480 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001319032104 1385938154 /nfs/dbraw/zinc/93/81/54/1385938154.db2.gz VARCOZSQSKMYEE-HXUWFJFHSA-N 2 0 349.563 3.293 10 30 EGEERP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001329301588 1389055193 /nfs/dbraw/zinc/05/51/93/1389055193.db2.gz BZMMSYFRBWBVIW-GOSISDBHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001332013096 1389946097 /nfs/dbraw/zinc/94/60/97/1389946097.db2.gz HTSTWXVGPLEVNL-ZWKOTPCHSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001332118795 1389995373 /nfs/dbraw/zinc/99/53/73/1389995373.db2.gz QMOUUUPFHHLLOF-CTNGQTDRSA-N 2 0 347.547 3.332 10 30 EGEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1(C)C ZINC001332405884 1390108581 /nfs/dbraw/zinc/10/85/81/1390108581.db2.gz ZTBMNJSOSMKWME-GOSISDBHSA-N 2 0 349.563 3.291 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001479687725 1392319786 /nfs/dbraw/zinc/31/97/86/1392319786.db2.gz MCYQNVAJRJCOOL-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001479689076 1392320509 /nfs/dbraw/zinc/32/05/09/1392320509.db2.gz OHWKRSUFNWRWGL-SFHVURJKSA-N 2 0 347.547 3.024 10 30 EGEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001479688926 1392320757 /nfs/dbraw/zinc/32/07/57/1392320757.db2.gz NHGUINCNMBWPSE-IBGZPJMESA-N 2 0 347.547 3.025 10 30 EGEERP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001479696491 1392326583 /nfs/dbraw/zinc/32/65/83/1392326583.db2.gz ZOIKBUVBOYLNNK-LJQANCHMSA-N 2 0 335.536 3.189 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480173875 1392608951 /nfs/dbraw/zinc/60/89/51/1392608951.db2.gz OTJTWXNODYDQJJ-VJANTYMQSA-N 2 0 335.536 3.088 10 30 EGEERP CCCCCCC[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001480256745 1392641279 /nfs/dbraw/zinc/64/12/79/1392641279.db2.gz OBHOSUBFAJSBKF-IBGZPJMESA-N 2 0 349.563 3.413 10 30 EGEERP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480829241 1392968723 /nfs/dbraw/zinc/96/87/23/1392968723.db2.gz GWNXCZHUXJSCNW-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CCCCC1 ZINC001698884709 1406617752 /nfs/dbraw/zinc/61/77/52/1406617752.db2.gz PXVNXDYPBYWPFL-HXUWFJFHSA-N 2 0 349.563 3.339 10 30 EGEERP CCCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001491229643 1394485439 /nfs/dbraw/zinc/48/54/39/1394485439.db2.gz JEPLKWAVNMMHPQ-GOSISDBHSA-N 2 0 335.536 3.023 10 30 EGEERP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001482495635 1395047829 /nfs/dbraw/zinc/04/78/29/1395047829.db2.gz RWESNYXWRVMSRO-HKUYNNGSSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001483907485 1395138418 /nfs/dbraw/zinc/13/84/18/1395138418.db2.gz BIIZURBYTLEEME-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001483907483 1395138553 /nfs/dbraw/zinc/13/85/53/1395138553.db2.gz BIIZURBYTLEEME-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)CC1 ZINC001503763903 1396268250 /nfs/dbraw/zinc/26/82/50/1396268250.db2.gz JHNRWNVINOVLNV-UHFFFAOYSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCCC1 ZINC001495939373 1396572999 /nfs/dbraw/zinc/57/29/99/1396572999.db2.gz RDNXQJWUUPTDPL-LJQANCHMSA-N 2 0 347.547 3.378 10 30 EGEERP C=C(C)CC[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001495952725 1396575932 /nfs/dbraw/zinc/57/59/32/1396575932.db2.gz DERKVHZNWVZKAK-UHFFFAOYSA-N 2 0 347.547 3.093 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CCCCC1 ZINC001496321728 1396648929 /nfs/dbraw/zinc/64/89/29/1396648929.db2.gz WVXMTPCZKFGDMO-GOSISDBHSA-N 2 0 337.552 3.195 10 30 EGEERP 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 1396945617 /nfs/dbraw/zinc/94/56/17/1396945617.db2.gz BVQOWIGNLYAMLA-HOJAQTOUSA-N 2 0 347.547 3.042 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001689365639 1403706176 /nfs/dbraw/zinc/70/61/76/1403706176.db2.gz JYHOGZIFVGAOLF-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP CCCCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001690405736 1404542015 /nfs/dbraw/zinc/54/20/15/1404542015.db2.gz OTRVBBCEVZCIRY-ICSRJNTNSA-N 2 0 349.563 3.127 10 30 EGEERP C=C(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001690902347 1404810490 /nfs/dbraw/zinc/81/04/90/1404810490.db2.gz SUZLOVUXOFELFQ-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001691149153 1405082921 /nfs/dbraw/zinc/08/29/21/1405082921.db2.gz VONYZOBIPPMHNW-ZWKOTPCHSA-N 2 0 349.563 3.432 10 30 EGEERP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001691230275 1405169695 /nfs/dbraw/zinc/16/96/95/1405169695.db2.gz YLWACOMTRZYRRX-NLWGTHIKSA-N 2 0 347.547 3.234 10 30 EGEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001691677894 1405411869 /nfs/dbraw/zinc/41/18/69/1405411869.db2.gz JGHRKACTLHSBBM-PXNSSMCTSA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001691899418 1405622727 /nfs/dbraw/zinc/62/27/27/1405622727.db2.gz XSKJLLNMPALGTK-SBHAEUEKSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001692132053 1405789511 /nfs/dbraw/zinc/78/95/11/1405789511.db2.gz OUIGLVDWSWCRLA-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001698585242 1406201032 /nfs/dbraw/zinc/20/10/32/1406201032.db2.gz CTIWFXUUWGTVGU-CTNGQTDRSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCCC1 ZINC001732394972 1428562736 /nfs/dbraw/zinc/56/27/36/1428562736.db2.gz VBRNKMHECVIOGM-IBGZPJMESA-N 2 0 347.547 3.378 10 30 EGEERP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001732528186 1428648360 /nfs/dbraw/zinc/64/83/60/1428648360.db2.gz NWBQOQWSFMNMOL-HZPDHXFCSA-N 2 0 349.544 3.216 10 30 EGEERP C=CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001700094446 1413509413 /nfs/dbraw/zinc/50/94/13/1413509413.db2.gz KFMNTCZQMRJWCE-PXNSSMCTSA-N 2 0 343.515 3.404 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001700200334 1413642850 /nfs/dbraw/zinc/64/28/50/1413642850.db2.gz GBBKOTFYTJDZPH-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001700321386 1413786906 /nfs/dbraw/zinc/78/69/06/1413786906.db2.gz ZXLPXPZFVVGJAR-HKUYNNGSSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CC)CC2)CC1 ZINC001700333083 1413813433 /nfs/dbraw/zinc/81/34/33/1413813433.db2.gz GOEYWRBEJYHMNN-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001700354731 1413853393 /nfs/dbraw/zinc/85/33/93/1413853393.db2.gz UUKNFOLDNJDRMQ-MOPGFXCFSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001700692579 1414345589 /nfs/dbraw/zinc/34/55/89/1414345589.db2.gz JIXOBKLJZGGMSX-HKUYNNGSSA-N 2 0 335.536 3.137 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001700865259 1414516837 /nfs/dbraw/zinc/51/68/37/1414516837.db2.gz JRCUSIMCSKGBMH-ANTGDGSKSA-N 2 0 349.563 3.410 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001707449340 1417353230 /nfs/dbraw/zinc/35/32/30/1417353230.db2.gz VZHUQNQLPDXBFC-HKUYNNGSSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713131548 1417705476 /nfs/dbraw/zinc/70/54/76/1417705476.db2.gz HALAAKXCZMGTJN-UYAOXDASSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001713184993 1417760338 /nfs/dbraw/zinc/76/03/38/1417760338.db2.gz VLFQMBDSUDVMFP-PMACEKPBSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001713364964 1417977992 /nfs/dbraw/zinc/97/79/92/1417977992.db2.gz ZYVMEAGLKAKHPV-PKOBYXMFSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713398060 1418016583 /nfs/dbraw/zinc/01/65/83/1418016583.db2.gz PXHSYLLXVPRZHE-AZUAARDMSA-N 2 0 349.563 3.384 10 30 EGEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001713681230 1418433062 /nfs/dbraw/zinc/43/30/62/1418433062.db2.gz CPRCUMXKCHQVHU-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001713897398 1418695819 /nfs/dbraw/zinc/69/58/19/1418695819.db2.gz JWHVIURNRUEDNV-DLBZAZTESA-N 2 0 343.943 3.030 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713955208 1418737878 /nfs/dbraw/zinc/73/78/78/1418737878.db2.gz IDZKPZDJZGPWCP-BZSNNMDCSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713993565 1418771558 /nfs/dbraw/zinc/77/15/58/1418771558.db2.gz LWMWTBHFHSLDSU-ZACQAIPSSA-N 2 0 335.536 3.231 10 30 EGEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001714141876 1418944414 /nfs/dbraw/zinc/94/44/14/1418944414.db2.gz JIVGCBRDDKOHBB-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001714812955 1419523722 /nfs/dbraw/zinc/52/37/22/1419523722.db2.gz XWVMNFUTVNSJMX-MRXNPFEDSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCC[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001715168509 1419907469 /nfs/dbraw/zinc/90/74/69/1419907469.db2.gz KNVWQSALVBZDSJ-UHFFFAOYSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001715481929 1420160920 /nfs/dbraw/zinc/16/09/20/1420160920.db2.gz WHCHUQVGWRZVRR-QUCCMNQESA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001716830832 1420958439 /nfs/dbraw/zinc/95/84/39/1420958439.db2.gz XVAKWENNYFIUHT-TZIWHRDSSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001716886540 1421010163 /nfs/dbraw/zinc/01/01/63/1421010163.db2.gz LDVRTIMKQQTYOX-UHFFFAOYSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001717240288 1421208488 /nfs/dbraw/zinc/20/84/88/1421208488.db2.gz RKXCMDOBIOFHEW-MRXNPFEDSA-N 2 0 343.943 3.220 10 30 EGEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001717240549 1421208778 /nfs/dbraw/zinc/20/87/78/1421208778.db2.gz BQKUYYNUAFDWPE-GOSISDBHSA-N 2 0 335.536 3.186 10 30 EGEERP CCCCCCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001717584794 1421511754 /nfs/dbraw/zinc/51/17/54/1421511754.db2.gz CUFBPURMZMCRGW-MSOLQXFVSA-N 2 0 337.552 3.125 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001717874218 1421681773 /nfs/dbraw/zinc/68/17/73/1421681773.db2.gz ADBCQDJJBPXAKW-SJORKVTESA-N 2 0 340.471 3.097 10 30 EGEERP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001733458096 1429678432 /nfs/dbraw/zinc/67/84/32/1429678432.db2.gz CCOAVDWOJNFLKK-AZUAARDMSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001722944276 1424271024 /nfs/dbraw/zinc/27/10/24/1424271024.db2.gz LKMPKURTUYXCJN-ROUUACIJSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001723634761 1424501739 /nfs/dbraw/zinc/50/17/39/1424501739.db2.gz QWTQZOQZWCMKCL-ZCNNSNEGSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001723859382 1424588194 /nfs/dbraw/zinc/58/81/94/1424588194.db2.gz GJSCNFYDJMTCPW-PMACEKPBSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001723862121 1424590490 /nfs/dbraw/zinc/59/04/90/1424590490.db2.gz RVALZOVGNLTSJY-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001733539352 1429745179 /nfs/dbraw/zinc/74/51/79/1429745179.db2.gz XHAVFBGPYDATMA-RBUKOAKNSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001724126993 1424678120 /nfs/dbraw/zinc/67/81/20/1424678120.db2.gz ZXEMKAQTGGFUQV-PZJWPPBQSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001733555163 1429754317 /nfs/dbraw/zinc/75/43/17/1429754317.db2.gz AHNGXKHUJXWEHW-FXAWDEMLSA-N 2 0 343.515 3.012 10 30 EGEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001724743116 1425111040 /nfs/dbraw/zinc/11/10/40/1425111040.db2.gz MVKBZVACBLLPPB-FXAWDEMLSA-N 2 0 343.515 3.402 10 30 EGEERP CCCCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001724760914 1425131567 /nfs/dbraw/zinc/13/15/67/1425131567.db2.gz URMQKOKWKCECPO-IBGZPJMESA-N 2 0 349.563 3.223 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001724761356 1425132445 /nfs/dbraw/zinc/13/24/45/1425132445.db2.gz VRAZSKVCFFOXNC-RTBURBONSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCCCC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001724957284 1425343876 /nfs/dbraw/zinc/34/38/76/1425343876.db2.gz QNYHXWVTTHQLEO-UHFFFAOYSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001724979100 1425379686 /nfs/dbraw/zinc/37/96/86/1425379686.db2.gz KRGDAYNKYVOOAK-RTBURBONSA-N 2 0 349.563 3.290 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731418309 1427392384 /nfs/dbraw/zinc/39/23/84/1427392384.db2.gz VIAVPHPRUXOVOQ-MOPGFXCFSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001731502837 1427485089 /nfs/dbraw/zinc/48/50/89/1427485089.db2.gz KIRTZEACVHRRNN-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731712709 1427773604 /nfs/dbraw/zinc/77/36/04/1427773604.db2.gz KOQYYVLLYQIOIB-HXUWFJFHSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001731719653 1427787224 /nfs/dbraw/zinc/78/72/24/1427787224.db2.gz MFRHNEWDOVAPNA-MOPGFXCFSA-N 2 0 335.536 3.140 10 30 EGEERP C=C(C)CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001731877181 1428142463 /nfs/dbraw/zinc/14/24/63/1428142463.db2.gz PQMGWVUEWVEXEC-SFHVURJKSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001733607884 1429824733 /nfs/dbraw/zinc/82/47/33/1429824733.db2.gz XKMWEGAXZZFXQO-UXHICEINSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001733918508 1437731876 /nfs/dbraw/zinc/73/18/76/1437731876.db2.gz QJEFQMQHDWANHF-UHFFFAOYSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001734103584 1437888677 /nfs/dbraw/zinc/88/86/77/1437888677.db2.gz KIIJNWJVACUKTB-OALUTQOASA-N 2 0 335.536 3.188 10 30 EGEERP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001734269604 1437994904 /nfs/dbraw/zinc/99/49/04/1437994904.db2.gz XLDQFSBZJWVEDX-PKOBYXMFSA-N 2 0 335.536 3.138 10 30 EGEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001734299881 1438031347 /nfs/dbraw/zinc/03/13/47/1438031347.db2.gz FEYWWONCSACADC-QUCCMNQESA-N 2 0 347.547 3.044 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC001734442310 1438104392 /nfs/dbraw/zinc/10/43/92/1438104392.db2.gz PZCSEJCHLJEHJT-FPOVZHCZSA-N 2 0 349.563 3.412 10 30 EGEERP C[NH+]1CCC(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000352839337 277026253 /nfs/dbraw/zinc/02/62/53/277026253.db2.gz JPHJZWOMDPXZDK-UHFFFAOYSA-N 2 0 325.378 3.399 10 30 EGEERP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)cc1 ZINC000600716464 460576049 /nfs/dbraw/zinc/57/60/49/460576049.db2.gz GLCRDSKCGIANAP-FXAWDEMLSA-N 2 0 341.499 3.205 10 30 EGEERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600718367 460577912 /nfs/dbraw/zinc/57/79/12/460577912.db2.gz WXXNPROLOCZVCQ-FXAWDEMLSA-N 2 0 341.499 3.205 10 30 EGEERP COc1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1C#N ZINC000135091941 454632986 /nfs/dbraw/zinc/63/29/86/454632986.db2.gz GZKAGVRGCCOVLD-QGZVFWFLSA-N 2 0 336.439 3.204 10 30 EGEERP C[C@@H]1C[C@H](N(C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000154298514 454882314 /nfs/dbraw/zinc/88/23/14/454882314.db2.gz XNMSEQUQLSDRPM-GDBMZVCRSA-N 2 0 340.389 3.351 10 30 EGEERP C=CCc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc(OC)c1O ZINC000245756701 455373776 /nfs/dbraw/zinc/37/37/76/455373776.db2.gz OTQAYSUJKBYDCJ-MAUKXSAKSA-N 2 0 332.488 3.291 10 30 EGEERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352836094 456351574 /nfs/dbraw/zinc/35/15/74/456351574.db2.gz JNEXACCRURNXRT-HNNXBMFYSA-N 2 0 343.393 3.023 10 30 EGEERP C=CCc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc(OC)c1O ZINC000415054046 458327063 /nfs/dbraw/zinc/32/70/63/458327063.db2.gz PLMVPHRCCMBXJH-QZTJIDSGSA-N 2 0 330.472 3.093 10 30 EGEERP C=C(C)C[NH+]1CCC(N[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422974205 458429532 /nfs/dbraw/zinc/42/95/32/458429532.db2.gz DLQOBFXNDGIUQW-LEWJYISDSA-N 2 0 343.515 3.118 10 30 EGEERP C=CCc1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc(OC)c1O ZINC000877684503 1299477706 /nfs/dbraw/zinc/47/77/06/1299477706.db2.gz PIKPICZIDNLBLM-UHFFFAOYSA-N 2 0 344.499 3.437 10 30 EGEERP C#CCCCCC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000879019003 1300320808 /nfs/dbraw/zinc/32/08/08/1300320808.db2.gz MDKJFZKZZVDIOL-FQEVSTJZSA-N 2 0 329.488 3.180 10 30 EGEERP C#CC[C@H](CCOC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000895415476 1309327710 /nfs/dbraw/zinc/32/77/10/1309327710.db2.gz NCUFZXHVNGBRLU-BQJUDKOJSA-N 2 0 326.484 3.058 10 30 EGEERP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940853250 1331221176 /nfs/dbraw/zinc/22/11/76/1331221176.db2.gz PCKYYEXAUFNHNT-SFHVURJKSA-N 2 0 340.471 3.049 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001324974485 1387863125 /nfs/dbraw/zinc/86/31/25/1387863125.db2.gz ABNYOUZDHMJUJH-FPOVZHCZSA-N 2 0 349.563 3.435 10 30 EGEERP 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 1388015813 /nfs/dbraw/zinc/01/58/13/1388015813.db2.gz SXDZTBBWZRNEAN-OBKDMQGPSA-N 2 0 349.563 3.287 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001266238046 1377241602 /nfs/dbraw/zinc/24/16/02/1377241602.db2.gz JHESGOHFBCMUOQ-LJQANCHMSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001328781033 1388859342 /nfs/dbraw/zinc/85/93/42/1388859342.db2.gz QFRAXPIGLPMOCH-QUCCMNQESA-N 2 0 349.563 3.384 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001316670532 1384514001 /nfs/dbraw/zinc/51/40/01/1384514001.db2.gz PGBZUUAGWDADTI-MOPGFXCFSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001316933517 1384704205 /nfs/dbraw/zinc/70/42/05/1384704205.db2.gz MPYDKAHQTFOUHF-QGZVFWFLSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001317725863 1385425150 /nfs/dbraw/zinc/42/51/50/1385425150.db2.gz XSTSBEZZZLAIDY-PMACEKPBSA-N 2 0 343.515 3.273 10 30 EGEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001319651952 1386233906 /nfs/dbraw/zinc/23/39/06/1386233906.db2.gz SGPPBQHNFVKXIA-OALUTQOASA-N 2 0 335.536 3.090 10 30 EGEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001319818758 1386314640 /nfs/dbraw/zinc/31/46/40/1386314640.db2.gz QQTQWSQARVAWLE-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001698704692 1406346698 /nfs/dbraw/zinc/34/66/98/1406346698.db2.gz XTZDCZFLBIJWPK-ICSRJNTNSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001330623031 1389473787 /nfs/dbraw/zinc/47/37/87/1389473787.db2.gz VUAMKIFQMDCZDR-DJIMGWMZSA-N 2 0 340.471 3.095 10 30 EGEERP CCCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001698739503 1406390104 /nfs/dbraw/zinc/39/01/04/1406390104.db2.gz UERMGKWPODTPER-UHFFFAOYSA-N 2 0 349.563 3.367 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001332821969 1390193494 /nfs/dbraw/zinc/19/34/94/1390193494.db2.gz BOVFVIXCPXQPSV-IRXDYDNUSA-N 2 0 335.536 3.090 10 30 EGEERP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001332947877 1390221499 /nfs/dbraw/zinc/22/14/99/1390221499.db2.gz BTJREODGXKWCRR-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1CCC(C2(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001333191641 1390264416 /nfs/dbraw/zinc/26/44/16/1390264416.db2.gz JUPLMGKWIYOMPO-HDICACEKSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001698811390 1406498445 /nfs/dbraw/zinc/49/84/45/1406498445.db2.gz LYFMAUXLVMSLGR-LJQANCHMSA-N 2 0 347.547 3.142 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001488741665 1391713422 /nfs/dbraw/zinc/71/34/22/1391713422.db2.gz OYSPZGVCSZFUCZ-XSYGEPLQSA-N 2 0 347.547 3.233 10 30 EGEERP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001479528710 1392271431 /nfs/dbraw/zinc/27/14/31/1392271431.db2.gz PHVCTFFCGREQLU-XLIONFOSSA-N 2 0 343.515 3.155 10 30 EGEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001479747629 1392364439 /nfs/dbraw/zinc/36/44/39/1392364439.db2.gz CMAAPUXVIWDBBO-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCCCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001480403097 1392741260 /nfs/dbraw/zinc/74/12/60/1392741260.db2.gz NTGMGTJNSCIXFT-LWSMDNFKSA-N 2 0 335.536 3.090 10 30 EGEERP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001480828337 1392967777 /nfs/dbraw/zinc/96/77/77/1392967777.db2.gz OUXOSZRRDPHGAG-UYAOXDASSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CCCCC1 ZINC001698884072 1406616746 /nfs/dbraw/zinc/61/67/46/1406616746.db2.gz JDKNMVDPDLIPME-CTNGQTDRSA-N 2 0 347.547 3.093 10 30 EGEERP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001481360361 1394200200 /nfs/dbraw/zinc/20/02/00/1394200200.db2.gz RBEPOBXNONMKLC-PMACEKPBSA-N 2 0 343.515 3.085 10 30 EGEERP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001491219811 1394478160 /nfs/dbraw/zinc/47/81/60/1394478160.db2.gz YYVKIJLZBVJWEL-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001698955515 1406702833 /nfs/dbraw/zinc/70/28/33/1406702833.db2.gz PFDKENDQQSNBBN-WOJBJXKFSA-N 2 0 347.547 3.140 10 30 EGEERP C=CC[NH2+]Cc1ccc(CNC(=O)c2sccc2C[NH+](C)C)cc1 ZINC001482031200 1394690838 /nfs/dbraw/zinc/69/08/38/1394690838.db2.gz FCRFZSHXVWORDS-UHFFFAOYSA-N 2 0 343.496 3.015 10 30 EGEERP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001484401316 1395372433 /nfs/dbraw/zinc/37/24/33/1395372433.db2.gz IWDDKMHWQDPDBE-OALUTQOASA-N 2 0 343.515 3.054 10 30 EGEERP C=CCCCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485476046 1395953959 /nfs/dbraw/zinc/95/39/59/1395953959.db2.gz HLOAYUAUQYLNJH-VAMGGRTRSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001485514704 1395992835 /nfs/dbraw/zinc/99/28/35/1395992835.db2.gz CSGQNIDYDUFDDI-KRWDZBQOSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001485573610 1396039648 /nfs/dbraw/zinc/03/96/48/1396039648.db2.gz CYAFANBUHZUKQO-IAGOWNOFSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001690902543 1404810029 /nfs/dbraw/zinc/81/00/29/1404810029.db2.gz WSGOOWOJQYHCSN-QGZVFWFLSA-N 2 0 340.471 3.193 10 30 EGEERP CCCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691637114 1405373016 /nfs/dbraw/zinc/37/30/16/1405373016.db2.gz SNGIEMGYKVEKKO-RTBURBONSA-N 2 0 337.552 3.269 10 30 EGEERP CCCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001691637112 1405373366 /nfs/dbraw/zinc/37/33/66/1405373366.db2.gz SNGIEMGYKVEKKO-OALUTQOASA-N 2 0 337.552 3.269 10 30 EGEERP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001691690339 1405425230 /nfs/dbraw/zinc/42/52/30/1405425230.db2.gz RIFVHULIVNSSBG-LJQANCHMSA-N 2 0 347.547 3.142 10 30 EGEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H]1CC ZINC001692027387 1405746139 /nfs/dbraw/zinc/74/61/39/1405746139.db2.gz UFIGCYOUUBEXQG-OTWHNJEPSA-N 2 0 335.536 3.042 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001692132052 1405789242 /nfs/dbraw/zinc/78/92/42/1405789242.db2.gz OUIGLVDWSWCRLA-OALUTQOASA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001732023535 1428241685 /nfs/dbraw/zinc/24/16/85/1428241685.db2.gz SZVBCRHGBVCJNG-PXNSSMCTSA-N 2 0 343.515 3.130 10 30 EGEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001732317079 1428527925 /nfs/dbraw/zinc/52/79/25/1428527925.db2.gz NFPKOYHGNTUQPU-UHFFFAOYSA-N 2 0 343.515 3.091 10 30 EGEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001732491770 1428614515 /nfs/dbraw/zinc/61/45/15/1428614515.db2.gz RBVWTZRFZOXUIZ-OALUTQOASA-N 2 0 347.547 3.188 10 30 EGEERP 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 1413420801 /nfs/dbraw/zinc/42/08/01/1413420801.db2.gz FGJDRPVZNGRVKK-AKHDSKFASA-N 2 0 347.547 3.042 10 30 EGEERP C=CCCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001700196329 1413638338 /nfs/dbraw/zinc/63/83/38/1413638338.db2.gz DEGNNARUFSXHEI-VQTJNVASSA-N 2 0 349.563 3.245 10 30 EGEERP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001700200333 1413643188 /nfs/dbraw/zinc/64/31/88/1413643188.db2.gz GBBKOTFYTJDZPH-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001700281750 1413726744 /nfs/dbraw/zinc/72/67/44/1413726744.db2.gz GWPMIEOLPGWSJD-LJQANCHMSA-N 2 0 347.547 3.330 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001700293610 1413750587 /nfs/dbraw/zinc/75/05/87/1413750587.db2.gz UFPARILCWQAONV-ROUUACIJSA-N 2 0 337.552 3.290 10 30 EGEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001700293611 1413751266 /nfs/dbraw/zinc/75/12/66/1413751266.db2.gz UFPARILCWQAONV-ZWKOTPCHSA-N 2 0 337.552 3.290 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001700359668 1413869701 /nfs/dbraw/zinc/86/97/01/1413869701.db2.gz RSBQMZWZIVRFBB-ZWKOTPCHSA-N 2 0 337.552 3.242 10 30 EGEERP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001701011492 1414671511 /nfs/dbraw/zinc/67/15/11/1414671511.db2.gz QLLWRVISNVNTQT-PXNSSMCTSA-N 2 0 343.515 3.082 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001707199446 1417241176 /nfs/dbraw/zinc/24/11/76/1417241176.db2.gz CKACEFRSVIFLEP-CEXWTWQISA-N 2 0 335.536 3.186 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1CC ZINC001707205330 1417244531 /nfs/dbraw/zinc/24/45/31/1417244531.db2.gz WRZIWRDXXMMXNZ-IPMKNSEASA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713258017 1417862646 /nfs/dbraw/zinc/86/26/46/1417862646.db2.gz OMSZMBSOICYILV-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001713263393 1417871382 /nfs/dbraw/zinc/87/13/82/1417871382.db2.gz LWQYQUIZNADIFG-RTBURBONSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713394949 1418010407 /nfs/dbraw/zinc/01/04/07/1418010407.db2.gz ZCDPZAROBDVQQD-IBGZPJMESA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001713857090 1418653541 /nfs/dbraw/zinc/65/35/41/1418653541.db2.gz HQQBLYOQKUPPAA-OALUTQOASA-N 2 0 349.563 3.386 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001733180846 1429282394 /nfs/dbraw/zinc/28/23/94/1429282394.db2.gz MIQJJEGDIBLKHQ-VQTJNVASSA-N 2 0 347.547 3.234 10 30 EGEERP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001713994217 1418773220 /nfs/dbraw/zinc/77/32/20/1418773220.db2.gz KPLHHOFIHZHORU-HDICACEKSA-N 2 0 335.536 3.070 10 30 EGEERP C=CCC[NH2+]C[C@@]1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC[C@@H]1C ZINC001714187158 1418994281 /nfs/dbraw/zinc/99/42/81/1418994281.db2.gz PRUQJANMYKIBQM-RXVVDRJESA-N 2 0 349.563 3.338 10 30 EGEERP C=CCCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001714190945 1418997736 /nfs/dbraw/zinc/99/77/36/1418997736.db2.gz RMZBOUIVNOTEKN-CTWPCTMYSA-N 2 0 335.536 3.090 10 30 EGEERP C=C(C)C[NH2+]CCC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001714266360 1419047735 /nfs/dbraw/zinc/04/77/35/1419047735.db2.gz QEUPGIXWDCRPHM-UHFFFAOYSA-N 2 0 349.544 3.218 10 30 EGEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001715190357 1419922682 /nfs/dbraw/zinc/92/26/82/1419922682.db2.gz GYEZJLYXWPNFHH-FHWLQOOXSA-N 2 0 335.536 3.090 10 30 EGEERP C=CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)cc1 ZINC001715194054 1419925903 /nfs/dbraw/zinc/92/59/03/1419925903.db2.gz IZAJJTKRGLDDCD-UHFFFAOYSA-N 2 0 343.515 3.231 10 30 EGEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001715206730 1419941199 /nfs/dbraw/zinc/94/11/99/1419941199.db2.gz PKDRCNZDFICYJF-WOJBJXKFSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001715383222 1420080051 /nfs/dbraw/zinc/08/00/51/1420080051.db2.gz FYVWYEIPKFVRIF-RTBURBONSA-N 2 0 349.563 3.291 10 30 EGEERP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001715456549 1420137588 /nfs/dbraw/zinc/13/75/88/1420137588.db2.gz LRPAPDBUHGBBMW-IRXDYDNUSA-N 2 0 335.536 3.042 10 30 EGEERP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001715484295 1420163971 /nfs/dbraw/zinc/16/39/71/1420163971.db2.gz GICLPUVTCAJZMB-VQTJNVASSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001716516074 1420745635 /nfs/dbraw/zinc/74/56/35/1420745635.db2.gz MWRWJTPUWIUPHM-UYAOXDASSA-N 2 0 349.563 3.482 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001716712775 1420865382 /nfs/dbraw/zinc/86/53/82/1420865382.db2.gz XSFSPFQWYBCCMU-OTWHNJEPSA-N 2 0 335.536 3.138 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001716830829 1420958451 /nfs/dbraw/zinc/95/84/51/1420958451.db2.gz XVAKWENNYFIUHT-CTNGQTDRSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001716903210 1421036280 /nfs/dbraw/zinc/03/62/80/1421036280.db2.gz ZQFODATVGFLEMN-UYAOXDASSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001717115256 1421119205 /nfs/dbraw/zinc/11/92/05/1421119205.db2.gz KHLVDWYPNXNKDE-LPHOPBHVSA-N 2 0 329.488 3.014 10 30 EGEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001717127869 1421129311 /nfs/dbraw/zinc/12/93/11/1421129311.db2.gz FYQYMLRUQQBDOR-OALUTQOASA-N 2 0 347.547 3.138 10 30 EGEERP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001717201651 1421169567 /nfs/dbraw/zinc/16/95/67/1421169567.db2.gz ZYYVVJASKZNDLW-VQTJNVASSA-N 2 0 343.515 3.226 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001717215950 1421193577 /nfs/dbraw/zinc/19/35/77/1421193577.db2.gz BFAVTZIWHOPEJL-WOJBJXKFSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001717299141 1421242033 /nfs/dbraw/zinc/24/20/33/1421242033.db2.gz JEJAETJHAFZWQD-UHFFFAOYSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC001717304820 1421246436 /nfs/dbraw/zinc/24/64/36/1421246436.db2.gz TVSPJACYRGQLTB-IBGZPJMESA-N 2 0 343.515 3.226 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)(C)C ZINC001717964813 1421736508 /nfs/dbraw/zinc/73/65/08/1421736508.db2.gz DZLAKXWAUWUGGH-QZTJIDSGSA-N 2 0 337.552 3.195 10 30 EGEERP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001733458380 1429678682 /nfs/dbraw/zinc/67/86/82/1429678682.db2.gz DXHHFRHLGZZECW-IBGZPJMESA-N 2 0 349.544 3.218 10 30 EGEERP C=CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CCCCCC1 ZINC001723641160 1424508588 /nfs/dbraw/zinc/50/85/88/1424508588.db2.gz QMTMMKRTYXBOHH-UHFFFAOYSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001723679772 1424527561 /nfs/dbraw/zinc/52/75/61/1424527561.db2.gz MNOFRKGDOMEJOP-TZIWHRDSSA-N 2 0 349.563 3.388 10 30 EGEERP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001724126005 1424676848 /nfs/dbraw/zinc/67/68/48/1424676848.db2.gz NQAPBSLCKKJVCI-OAQYLSRUSA-N 2 0 349.563 3.389 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001724339983 1424832798 /nfs/dbraw/zinc/83/27/98/1424832798.db2.gz HJFLBBOOGDVHRL-GHTZIAJQSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001733566658 1429768312 /nfs/dbraw/zinc/76/83/12/1429768312.db2.gz YMLJRRQEXQPYBG-YRPNKDGESA-N 2 0 347.547 3.186 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001724730432 1425082523 /nfs/dbraw/zinc/08/25/23/1425082523.db2.gz VLDSCZVEPZAUSK-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001724740957 1425106443 /nfs/dbraw/zinc/10/64/43/1425106443.db2.gz MRIFNPCNZSWFEO-GOSISDBHSA-N 2 0 343.515 3.043 10 30 EGEERP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)CC1 ZINC001725017255 1425435883 /nfs/dbraw/zinc/43/58/83/1425435883.db2.gz KANRVOQNWYRKNJ-LJQANCHMSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001725048120 1425478751 /nfs/dbraw/zinc/47/87/51/1425478751.db2.gz OZSPFFVBKPEXFI-MOPGFXCFSA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001725227749 1425797262 /nfs/dbraw/zinc/79/72/62/1425797262.db2.gz BLLPVIXRMTYQJV-MOPGFXCFSA-N 2 0 347.547 3.378 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001725583169 1426238733 /nfs/dbraw/zinc/23/87/33/1426238733.db2.gz LQRUKAHNAPONJP-RTBURBONSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001725640786 1426318502 /nfs/dbraw/zinc/31/85/02/1426318502.db2.gz YPIGEDIZBUFDEK-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731418312 1427392107 /nfs/dbraw/zinc/39/21/07/1427392107.db2.gz VIAVPHPRUXOVOQ-RTBURBONSA-N 2 0 349.563 3.386 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001731502835 1427485066 /nfs/dbraw/zinc/48/50/66/1427485066.db2.gz KIRTZEACVHRRNN-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001731719655 1427787358 /nfs/dbraw/zinc/78/73/58/1427787358.db2.gz MFRHNEWDOVAPNA-OALUTQOASA-N 2 0 335.536 3.140 10 30 EGEERP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001733869383 1437695517 /nfs/dbraw/zinc/69/55/17/1437695517.db2.gz BREQIKBEMOBLEC-ZWKOTPCHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001734208671 1437943951 /nfs/dbraw/zinc/94/39/51/1437943951.db2.gz GPIYLSRTZKNONE-CGBFIWBNSA-N 2 0 347.547 3.233 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001750930892 1440113060 /nfs/dbraw/zinc/11/30/60/1440113060.db2.gz ASWIZBICVZIKBM-PMACEKPBSA-N 2 0 349.563 3.386 10 30 EGEERP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123288875 162254802 /nfs/dbraw/zinc/25/48/02/162254802.db2.gz VMRUTZFCBNFGKN-UHFFFAOYSA-N 2 0 347.466 3.336 10 30 EGEERP CC(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000271917317 455799693 /nfs/dbraw/zinc/79/96/93/455799693.db2.gz ZFHQULXTNKDJRI-FPOVZHCZSA-N 2 0 341.499 3.173 10 30 EGEERP CC(C)(CCC#N)C[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000236817578 456187516 /nfs/dbraw/zinc/18/75/16/456187516.db2.gz MRPAQNOCVDDGGW-HXUWFJFHSA-N 2 0 343.515 3.352 10 30 EGEERP C=CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000341924848 457004252 /nfs/dbraw/zinc/00/42/52/457004252.db2.gz GGGFYGXAIZPXDR-HXUWFJFHSA-N 2 0 341.499 3.027 10 30 EGEERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(CC#N)CC2)CC1 ZINC000430045846 458393722 /nfs/dbraw/zinc/39/37/22/458393722.db2.gz LBSPNDBTTXKSKH-UHFFFAOYSA-N 2 0 326.488 3.002 10 30 EGEERP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594924623 459178493 /nfs/dbraw/zinc/17/84/93/459178493.db2.gz KIDFYPONMVCYRY-UHFFFAOYSA-N 2 0 349.478 3.472 10 30 EGEERP N#Cc1cnccc1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000592123147 459528858 /nfs/dbraw/zinc/52/88/58/459528858.db2.gz XQXQNTTXZFXCLA-UHFFFAOYSA-N 2 0 346.478 3.441 10 30 EGEERP N#Cc1ccc(CN2CCC([NH2+][C@H]3CNc4ccccc4C3)CC2)cc1 ZINC000593319209 459839887 /nfs/dbraw/zinc/83/98/87/459839887.db2.gz JQEXWRSQXTYVHZ-OAQYLSRUSA-N 2 0 346.478 3.149 10 30 EGEERP C[NH+](C)CCOC1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614166811 460036803 /nfs/dbraw/zinc/03/68/03/460036803.db2.gz BQOAWUWTQKRKAR-UHFFFAOYSA-N 2 0 329.488 3.030 10 30 EGEERP CCC1(N2CCOCC2)CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000599084304 460156510 /nfs/dbraw/zinc/15/65/10/460156510.db2.gz RMAYTDPZYHJACM-QGZVFWFLSA-N 2 0 327.472 3.196 10 30 EGEERP C=CCOc1ccc(C[NH2+]Cc2ccccc2C[NH2+]C)cc1OC ZINC000650718202 461909543 /nfs/dbraw/zinc/90/95/43/461909543.db2.gz BWMGWDLQHRRFKJ-UHFFFAOYSA-N 2 0 326.440 3.269 10 30 EGEERP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1 ZINC000651678862 462300778 /nfs/dbraw/zinc/30/07/78/462300778.db2.gz GSGRDICBJCQZBD-IEBWSBKVSA-N 2 0 328.504 3.058 10 30 EGEERP C=CCCC[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000265647540 534711511 /nfs/dbraw/zinc/71/15/11/534711511.db2.gz UGTINHSDIHCUOW-SFHVURJKSA-N 2 0 343.515 3.054 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000876719625 1298935807 /nfs/dbraw/zinc/93/58/07/1298935807.db2.gz QAARKDXSFDYKDL-RHSMWYFYSA-N 2 0 335.879 3.469 10 30 EGEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000876719501 1298936892 /nfs/dbraw/zinc/93/68/92/1298936892.db2.gz MXJUHMYSJCUFHU-GOSISDBHSA-N 2 0 349.906 3.005 10 30 EGEERP C=CCCC[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000880388171 1301100297 /nfs/dbraw/zinc/10/02/97/1301100297.db2.gz JAZPODPHDNAIKV-FQEVSTJZSA-N 2 0 343.515 3.274 10 30 EGEERP C[C@H]1C[C@H](N(C)Cc2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000929809305 1328707063 /nfs/dbraw/zinc/70/70/63/1328707063.db2.gz XJWDVSMVQAHKGQ-LAUBAEHRSA-N 2 0 334.467 3.438 10 30 EGEERP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1[O-] ZINC000866351059 1330100469 /nfs/dbraw/zinc/10/04/69/1330100469.db2.gz GQZRTYFVUNDEJX-SJLPKXTDSA-N 2 0 335.451 3.437 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001323860924 1387482112 /nfs/dbraw/zinc/48/21/12/1387482112.db2.gz YSRLWJJBHKBTAT-AZUAARDMSA-N 2 0 337.552 3.221 10 30 EGEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001324661890 1387722535 /nfs/dbraw/zinc/72/25/35/1387722535.db2.gz QNGDAJPXRIMDGB-YLJYHZDGSA-N 2 0 335.536 3.042 10 30 EGEERP C=CC[NH+]1CCC(C)(CNC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001324903597 1387811857 /nfs/dbraw/zinc/81/18/57/1387811857.db2.gz BBVZZGOYQQPETN-UHFFFAOYSA-N 2 0 347.503 3.139 10 30 EGEERP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001324947016 1387843869 /nfs/dbraw/zinc/84/38/69/1387843869.db2.gz GPNLUXBMPUVCGX-NRFANRHFSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001325599622 1388009788 /nfs/dbraw/zinc/00/97/88/1388009788.db2.gz VFGGOMQEFJXWFL-PXNSSMCTSA-N 2 0 343.515 3.012 10 30 EGEERP CCOCCC[N@@H+]1CC[C@@H](NCc2cc(Cl)cc(C#N)c2)[C@H](C)C1 ZINC001119742323 1371396710 /nfs/dbraw/zinc/39/67/10/1371396710.db2.gz ILOIVLRZTBRDLM-DNVCBOLYSA-N 2 0 349.906 3.438 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001326528836 1388230400 /nfs/dbraw/zinc/23/04/00/1388230400.db2.gz AUGADGNBXNJGAS-FHWLQOOXSA-N 2 0 349.563 3.480 10 30 EGEERP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001327127923 1388391709 /nfs/dbraw/zinc/39/17/09/1388391709.db2.gz ZBDSHEKWUOEDEB-UXHICEINSA-N 2 0 347.547 3.045 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001281940511 1378460659 /nfs/dbraw/zinc/46/06/59/1378460659.db2.gz UAVKMZYGVLBPFV-KRWDZBQOSA-N 2 0 349.544 3.312 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001316701688 1384530269 /nfs/dbraw/zinc/53/02/69/1384530269.db2.gz CUUNJKAYJIXDPX-QAPCUYQASA-N 2 0 340.471 3.049 10 30 EGEERP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001316712862 1384534840 /nfs/dbraw/zinc/53/48/40/1384534840.db2.gz CAVUQRHSYPQEQE-AQNXPRMDSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[N@@H+](C)CCC ZINC001316722778 1384542405 /nfs/dbraw/zinc/54/24/05/1384542405.db2.gz NZSRBUGSSGAZIJ-YZGWKJHDSA-N 2 0 349.563 3.290 10 30 EGEERP CCCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317035603 1384805234 /nfs/dbraw/zinc/80/52/34/1384805234.db2.gz NLZWYTIIKLKIOQ-RBUKOAKNSA-N 2 0 337.552 3.221 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001317159588 1384923437 /nfs/dbraw/zinc/92/34/37/1384923437.db2.gz IXTYIWKKGJRHSG-MOPGFXCFSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001317681906 1385391427 /nfs/dbraw/zinc/39/14/27/1385391427.db2.gz OMZQUVXPIOAHLK-OALUTQOASA-N 2 0 349.563 3.290 10 30 EGEERP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001317791144 1385484287 /nfs/dbraw/zinc/48/42/87/1385484287.db2.gz ZRPDWMDAKRQXFZ-OALUTQOASA-N 2 0 347.547 3.045 10 30 EGEERP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001318853801 1385862688 /nfs/dbraw/zinc/86/26/88/1385862688.db2.gz FJKNNYOHFVUVKZ-GOSISDBHSA-N 2 0 343.515 3.156 10 30 EGEERP CCCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001319398759 1386103916 /nfs/dbraw/zinc/10/39/16/1386103916.db2.gz ZTLPHDCXEBGBJG-RTBURBONSA-N 2 0 349.563 3.221 10 30 EGEERP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001319818760 1386314534 /nfs/dbraw/zinc/31/45/34/1386314534.db2.gz QQTQWSQARVAWLE-ROUUACIJSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001329242949 1389032672 /nfs/dbraw/zinc/03/26/72/1389032672.db2.gz HRHZFVZJRFDWGD-HDYDNRTBSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001329954716 1389273027 /nfs/dbraw/zinc/27/30/27/1389273027.db2.gz UXUDGSKVGNEXHS-UXHICEINSA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001330500028 1389432716 /nfs/dbraw/zinc/43/27/16/1389432716.db2.gz QYBCZAAJJVHATA-GOSISDBHSA-N 2 0 337.552 3.221 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001332217169 1390048775 /nfs/dbraw/zinc/04/87/75/1390048775.db2.gz GTJMKFIHXJSZNN-MOPGFXCFSA-N 2 0 335.536 3.188 10 30 EGEERP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001332961205 1390225431 /nfs/dbraw/zinc/22/54/31/1390225431.db2.gz VCWDCMSBLCWUNS-QGZVFWFLSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480272709 1392655636 /nfs/dbraw/zinc/65/56/36/1392655636.db2.gz YJUGDICZZDRDRS-UXHICEINSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001480301599 1392666796 /nfs/dbraw/zinc/66/67/96/1392666796.db2.gz XEFUAXWMNOYILF-UYAOXDASSA-N 2 0 343.515 3.084 10 30 EGEERP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480829240 1392968674 /nfs/dbraw/zinc/96/86/74/1392968674.db2.gz GWNXCZHUXJSCNW-RBUKOAKNSA-N 2 0 335.536 3.188 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481733930 1394482068 /nfs/dbraw/zinc/48/20/68/1394482068.db2.gz BZQZFHYPKKMRLW-GOSISDBHSA-N 2 0 335.536 3.140 10 30 EGEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001481978359 1394639929 /nfs/dbraw/zinc/63/99/29/1394639929.db2.gz GWVUNLDBQXVXTE-SFHVURJKSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001481986767 1394649096 /nfs/dbraw/zinc/64/90/96/1394649096.db2.gz WBVZYQKCFVDNHR-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CC)CC2 ZINC001482246747 1394844201 /nfs/dbraw/zinc/84/42/01/1394844201.db2.gz QWYRVVRZOSDYQR-RBUKOAKNSA-N 2 0 347.547 3.140 10 30 EGEERP C=C(C)CC[NH+]1CCC(C)(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001484146933 1395282395 /nfs/dbraw/zinc/28/23/95/1395282395.db2.gz JIIKPKHHNUNTGZ-UHFFFAOYSA-N 2 0 335.536 3.047 10 30 EGEERP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001501170396 1396189151 /nfs/dbraw/zinc/18/91/51/1396189151.db2.gz UEILHJCGQWUGJL-HAGHYFMRSA-N 2 0 347.547 3.186 10 30 EGEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001496350578 1396660716 /nfs/dbraw/zinc/66/07/16/1396660716.db2.gz KEUUBENRAPRUMC-RTBURBONSA-N 2 0 349.563 3.434 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001689222464 1396980784 /nfs/dbraw/zinc/98/07/84/1396980784.db2.gz QMZACZKNUXXUQJ-MOPGFXCFSA-N 2 0 349.563 3.221 10 30 EGEERP C=CCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498480989 1397027697 /nfs/dbraw/zinc/02/76/97/1397027697.db2.gz ONJHZEXSVSOTFV-RTBURBONSA-N 2 0 349.563 3.482 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001690216080 1404424150 /nfs/dbraw/zinc/42/41/50/1404424150.db2.gz IYASQYJRNOXIQX-HAGHYFMRSA-N 2 0 347.547 3.137 10 30 EGEERP C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001690910791 1404820823 /nfs/dbraw/zinc/82/08/23/1404820823.db2.gz UPKIPJWNKSLWBA-LJQANCHMSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001725783770 1426469120 /nfs/dbraw/zinc/46/91/20/1426469120.db2.gz YFFMTNVPYPHJCP-UUKMXZOPSA-N 2 0 347.547 3.329 10 30 EGEERP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001691277431 1405189237 /nfs/dbraw/zinc/18/92/37/1405189237.db2.gz ZCRQHALMZIZMMO-IBGZPJMESA-N 2 0 347.547 3.142 10 30 EGEERP C=CCCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001699672844 1413064096 /nfs/dbraw/zinc/06/40/96/1413064096.db2.gz FTNGDIQFDUEDME-ICSRJNTNSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001699714178 1413127617 /nfs/dbraw/zinc/12/76/17/1413127617.db2.gz BOGIQKICVFBUSK-QZTJIDSGSA-N 2 0 347.547 3.138 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001699844249 1413272746 /nfs/dbraw/zinc/27/27/46/1413272746.db2.gz KBFSXROILAJGGP-FXAWDEMLSA-N 2 0 337.552 3.147 10 30 EGEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001699849393 1413278540 /nfs/dbraw/zinc/27/85/40/1413278540.db2.gz UZZYUSXOOKABDU-UYAOXDASSA-N 2 0 335.536 3.045 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001732544472 1428717715 /nfs/dbraw/zinc/71/77/15/1428717715.db2.gz LIGDABBESCRVMD-RTBURBONSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001700289127 1413738708 /nfs/dbraw/zinc/73/87/08/1413738708.db2.gz ACBYVRMIQVRJAH-GOSISDBHSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001700340793 1413822237 /nfs/dbraw/zinc/82/22/37/1413822237.db2.gz BUKCWFPRAWNNDJ-RTBURBONSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCC[C@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001700725203 1414386763 /nfs/dbraw/zinc/38/67/63/1414386763.db2.gz SDADPJVFUPQFNF-PKOBYXMFSA-N 2 0 347.547 3.044 10 30 EGEERP C=CCC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001707235867 1417256503 /nfs/dbraw/zinc/25/65/03/1417256503.db2.gz SFCPQWZJGJCYPM-QZTJIDSGSA-N 2 0 335.536 3.044 10 30 EGEERP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001707249408 1417265818 /nfs/dbraw/zinc/26/58/18/1417265818.db2.gz NDTGARNSJQUPEY-CEXWTWQISA-N 2 0 337.552 3.409 10 30 EGEERP C=CCC[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001733043536 1429173546 /nfs/dbraw/zinc/17/35/46/1429173546.db2.gz PVACEZAHGARROG-LSDHHAIUSA-N 2 0 328.460 3.048 10 30 EGEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001713265374 1417873769 /nfs/dbraw/zinc/87/37/69/1417873769.db2.gz CVDYCAHIUOMBNR-VQTJNVASSA-N 2 0 347.547 3.330 10 30 EGEERP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713398065 1418016979 /nfs/dbraw/zinc/01/69/79/1418016979.db2.gz PXHSYLLXVPRZHE-QUCCMNQESA-N 2 0 349.563 3.384 10 30 EGEERP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714118473 1418922758 /nfs/dbraw/zinc/92/27/58/1418922758.db2.gz SHCNPKVJWPUVHR-OALUTQOASA-N 2 0 335.536 3.044 10 30 EGEERP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CCC)CC2 ZINC001714366334 1419126194 /nfs/dbraw/zinc/12/61/94/1419126194.db2.gz NXEUMBXXSLSJOG-IBGZPJMESA-N 2 0 347.547 3.142 10 30 EGEERP CCCCCCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001714448465 1419181078 /nfs/dbraw/zinc/18/10/78/1419181078.db2.gz KDQKEEUSJGWYFH-OALUTQOASA-N 2 0 337.552 3.221 10 30 EGEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001714803134 1419516867 /nfs/dbraw/zinc/51/68/67/1419516867.db2.gz KQXPBTDSTTVTMP-HKUYNNGSSA-N 2 0 347.547 3.044 10 30 EGEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC001714976448 1419711166 /nfs/dbraw/zinc/71/11/66/1419711166.db2.gz NJWPRQHJYLDHNN-RBUKOAKNSA-N 2 0 335.536 3.092 10 30 EGEERP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001715048702 1419790011 /nfs/dbraw/zinc/79/00/11/1419790011.db2.gz XOIWIDPDKOZOCO-MOPGFXCFSA-N 2 0 335.536 3.140 10 30 EGEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715437994 1420123534 /nfs/dbraw/zinc/12/35/34/1420123534.db2.gz SCGZLMNNGSKOMC-AZUAARDMSA-N 2 0 347.547 3.188 10 30 EGEERP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001715443034 1420127973 /nfs/dbraw/zinc/12/79/73/1420127973.db2.gz GQWWEURFUFBERE-VQTJNVASSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001715473015 1420152134 /nfs/dbraw/zinc/15/21/34/1420152134.db2.gz KRYZPXKWOPQAEZ-ROUUACIJSA-N 2 0 337.552 3.147 10 30 EGEERP C=CCC[C@H](C)[N@H+](C)CCC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001715484665 1420164695 /nfs/dbraw/zinc/16/46/95/1420164695.db2.gz KKLXFRDULXNOAK-ICSRJNTNSA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001716063189 1420523016 /nfs/dbraw/zinc/52/30/16/1420523016.db2.gz KDIFKCKKQOIECS-LPHOPBHVSA-N 2 0 340.471 3.097 10 30 EGEERP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001716478287 1420693676 /nfs/dbraw/zinc/69/36/76/1420693676.db2.gz PZQFDCLGLMUSOU-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C#CCC[NH+](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CCCCCC1 ZINC001733277523 1429443727 /nfs/dbraw/zinc/44/37/27/1429443727.db2.gz GRDNERMKVYOPCY-IBGZPJMESA-N 2 0 347.547 3.025 10 30 EGEERP C=CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001716952803 1421048582 /nfs/dbraw/zinc/04/85/82/1421048582.db2.gz MFMGTNMQLZTXJD-UXHICEINSA-N 2 0 349.563 3.243 10 30 EGEERP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001717038522 1421092958 /nfs/dbraw/zinc/09/29/58/1421092958.db2.gz OMMYCZLTJQXNBK-UXHICEINSA-N 2 0 347.547 3.284 10 30 EGEERP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001717038521 1421093111 /nfs/dbraw/zinc/09/31/11/1421093111.db2.gz OMMYCZLTJQXNBK-PMACEKPBSA-N 2 0 347.547 3.284 10 30 EGEERP C=CCC[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001717092910 1421106305 /nfs/dbraw/zinc/10/63/05/1421106305.db2.gz GYZKJKSDCFIKTO-MSOLQXFVSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001717201650 1421170020 /nfs/dbraw/zinc/17/00/20/1421170020.db2.gz ZYYVVJASKZNDLW-UXHICEINSA-N 2 0 343.515 3.226 10 30 EGEERP C=C(C)CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001717215949 1421193705 /nfs/dbraw/zinc/19/37/05/1421193705.db2.gz BFAVTZIWHOPEJL-VQTJNVASSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001717304472 1421246195 /nfs/dbraw/zinc/24/61/95/1421246195.db2.gz GYXMSNHJLLXULO-SFHVURJKSA-N 2 0 335.536 3.044 10 30 EGEERP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001717458558 1421387740 /nfs/dbraw/zinc/38/77/40/1421387740.db2.gz XGAOKELSAIZPKA-SFHVURJKSA-N 2 0 337.552 3.290 10 30 EGEERP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001717538601 1421477472 /nfs/dbraw/zinc/47/74/72/1421477472.db2.gz SHIOZGBWSPZANO-IBGZPJMESA-N 2 0 349.563 3.435 10 30 EGEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001717560981 1421497278 /nfs/dbraw/zinc/49/72/78/1421497278.db2.gz YDMGTKMZXYVMTH-YLJYHZDGSA-N 2 0 343.515 3.082 10 30 EGEERP C=CCCCCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC001717841556 1421656615 /nfs/dbraw/zinc/65/66/15/1421656615.db2.gz SWSFRPLCTUFUFN-IRFCIJBXSA-N 2 0 347.547 3.188 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001733449106 1429660026 /nfs/dbraw/zinc/66/00/26/1429660026.db2.gz XHHZQEHPYBFPBG-MOPGFXCFSA-N 2 0 349.563 3.434 10 30 EGEERP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001733463729 1429693724 /nfs/dbraw/zinc/69/37/24/1429693724.db2.gz CRJOGJHYGDZDLP-AZUAARDMSA-N 2 0 335.536 3.045 10 30 EGEERP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001733463768 1429693745 /nfs/dbraw/zinc/69/37/45/1429693745.db2.gz VSPGKWZCCQCVDX-NRFANRHFSA-N 2 0 349.563 3.435 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC[C@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001723689674 1424530875 /nfs/dbraw/zinc/53/08/75/1424530875.db2.gz AQDZXGQWIUHERO-CTNGQTDRSA-N 2 0 349.563 3.388 10 30 EGEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001723855800 1424585910 /nfs/dbraw/zinc/58/59/10/1424585910.db2.gz IFYZNISDLCKHQJ-WBVHZDCISA-N 2 0 340.471 3.192 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CCC([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001724508390 1424884564 /nfs/dbraw/zinc/88/45/64/1424884564.db2.gz MPWNJBYHNXLAKK-QUCCMNQESA-N 2 0 349.563 3.243 10 30 EGEERP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001724659246 1425031609 /nfs/dbraw/zinc/03/16/09/1425031609.db2.gz UZOZCSMDLVSWAC-PMACEKPBSA-N 2 0 347.547 3.282 10 30 EGEERP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001724710349 1425065475 /nfs/dbraw/zinc/06/54/75/1425065475.db2.gz JGGICTKXHSASCG-QGZVFWFLSA-N 2 0 340.471 3.051 10 30 EGEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001724848141 1425204358 /nfs/dbraw/zinc/20/43/58/1425204358.db2.gz ZLVHDCJLIIARCF-RBUKOAKNSA-N 2 0 335.536 3.044 10 30 EGEERP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001725269191 1425904415 /nfs/dbraw/zinc/90/44/15/1425904415.db2.gz VNIOOWYJYCNVMK-DLBZAZTESA-N 2 0 343.515 3.153 10 30 EGEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001725558667 1426223552 /nfs/dbraw/zinc/22/35/52/1426223552.db2.gz KGDSTRFRRCHILZ-PKOBYXMFSA-N 2 0 335.536 3.186 10 30 EGEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC001725755479 1426435245 /nfs/dbraw/zinc/43/52/45/1426435245.db2.gz MFMLHKDDEMJWFM-LJQANCHMSA-N 2 0 349.563 3.195 10 30 EGEERP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001725830518 1426508943 /nfs/dbraw/zinc/50/89/43/1426508943.db2.gz SAOLJXKGYICHII-AZUAARDMSA-N 2 0 347.547 3.210 10 30 EGEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001731430294 1427412201 /nfs/dbraw/zinc/41/22/01/1427412201.db2.gz PCWRIMYUFHMEHE-HSALFYBXSA-N 2 0 347.547 3.138 10 30 EGEERP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001731561039 1427596645 /nfs/dbraw/zinc/59/66/45/1427596645.db2.gz DESLTYJWHFGSPV-RBUKOAKNSA-N 2 0 335.536 3.045 10 30 EGEERP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001731564197 1427602479 /nfs/dbraw/zinc/60/24/79/1427602479.db2.gz KNGVBWFGAMUIRX-SLHNCBLASA-N 2 0 347.547 3.020 10 30 EGEERP C=CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001733607883 1429824566 /nfs/dbraw/zinc/82/45/66/1429824566.db2.gz XKMWEGAXZZFXQO-PMACEKPBSA-N 2 0 347.547 3.140 10 30 EGEERP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001733772032 1430006662 /nfs/dbraw/zinc/00/66/62/1430006662.db2.gz ZJMDNGASKAXBMO-FQEVSTJZSA-N 2 0 347.547 3.045 10 30 EGEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC001733875066 1437701313 /nfs/dbraw/zinc/70/13/13/1437701313.db2.gz HDLIISQMDOYPMF-OALUTQOASA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001733919902 1437733962 /nfs/dbraw/zinc/73/39/62/1437733962.db2.gz OLYDQGNEMOJWCZ-UHFFFAOYSA-N 2 0 337.552 3.101 10 30 EGEERP C=CCC[NH2+]C1CCC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001734011157 1437802708 /nfs/dbraw/zinc/80/27/08/1437802708.db2.gz HMYAWBPDKXFQCM-UHFFFAOYSA-N 2 0 349.563 3.434 10 30 EGEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001734021354 1437810224 /nfs/dbraw/zinc/81/02/24/1437810224.db2.gz GTYBXTYXOKGOOV-IBGZPJMESA-N 2 0 349.563 3.434 10 30 EGEERP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001734091804 1437876124 /nfs/dbraw/zinc/87/61/24/1437876124.db2.gz OCXXGXVSFJMEHI-RBUKOAKNSA-N 2 0 349.563 3.482 10 30 EGEERP C=CCCC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001734147821 1437915718 /nfs/dbraw/zinc/91/57/18/1437915718.db2.gz JSGAVXNXKOXARO-SFHVURJKSA-N 2 0 349.563 3.291 10 30 EGEERP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001734208673 1437943785 /nfs/dbraw/zinc/94/37/85/1437943785.db2.gz GPIYLSRTZKNONE-MLYOOKFZSA-N 2 0 347.547 3.233 10 30 EGEERP C=CCC[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC(C)(C)C1 ZINC001750943774 1440117044 /nfs/dbraw/zinc/11/70/44/1440117044.db2.gz AGQUHXVVKMKYNW-QZTJIDSGSA-N 2 0 337.552 3.288 10 30 EGEERP