smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]([NH2+]CCCn1ccnc1)c1cc(Br)ccc1[O-] ZINC000020506226 453666329 /nfs/dbraw/zinc/66/63/29/453666329.db2.gz KCXQXVFAYJNCCF-AWEZNQCLSA-N 2 1 338.249 3.482 20 10 EGCDMP Cc1cc(N2CCC([NH2+][C@H]3CCc4cccc(O)c43)CC2)nc(C)[nH+]1 ZINC000297856760 456311850 /nfs/dbraw/zinc/31/18/50/456311850.db2.gz TWSUJMSAITXMFF-KRWDZBQOSA-N 2 1 338.455 3.045 20 10 EGCDMP CC[C@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)CC[C@@H]1[NH3+] ZINC000843052337 1321461718 /nfs/dbraw/zinc/46/17/18/1321461718.db2.gz OWDNYFHGWXLLFW-FZMZJTMJSA-N 2 1 327.266 3.022 20 10 EGCDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)[C@@H](C)C1 ZINC000246874090 1296373599 /nfs/dbraw/zinc/37/35/99/1296373599.db2.gz DQATYYPPIGOIAF-LPHOPBHVSA-N 2 1 333.545 3.060 20 10 EGCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000747470589 1298788178 /nfs/dbraw/zinc/78/81/78/1298788178.db2.gz MPXYUXPUFMUQOI-GOSISDBHSA-N 2 1 342.483 3.478 20 10 EGCDMP C[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000762648468 1301721497 /nfs/dbraw/zinc/72/14/97/1301721497.db2.gz IZWKVLOXIFDFCC-LZWOXQAQSA-N 2 1 336.451 3.170 20 10 EGCDMP C[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000762648468 1301721500 /nfs/dbraw/zinc/72/15/00/1301721500.db2.gz IZWKVLOXIFDFCC-LZWOXQAQSA-N 2 1 336.451 3.170 20 10 EGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000762650793 1301721776 /nfs/dbraw/zinc/72/17/76/1301721776.db2.gz RWVCGQLPHUOOSD-ZWKOTPCHSA-N 2 1 333.520 3.294 20 10 EGCDMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000765973073 1302359022 /nfs/dbraw/zinc/35/90/22/1302359022.db2.gz BPJGXLGMQJGPHG-RTWAWAEBSA-N 2 1 345.531 3.437 20 10 EGCDMP Cc1nc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c(C)s1 ZINC000883289178 1302368128 /nfs/dbraw/zinc/36/81/28/1302368128.db2.gz GZQCVXFPMWDCLG-CQSZACIVSA-N 2 1 344.528 3.363 20 10 EGCDMP CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(O)c1 ZINC000770374395 1303255810 /nfs/dbraw/zinc/25/58/10/1303255810.db2.gz NFZIUJZTNLNLDU-BEFAXECRSA-N 2 1 330.472 3.240 20 10 EGCDMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(O)c1 ZINC000770374395 1303255817 /nfs/dbraw/zinc/25/58/17/1303255817.db2.gz NFZIUJZTNLNLDU-BEFAXECRSA-N 2 1 330.472 3.240 20 10 EGCDMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(O)c1 ZINC000770374395 1303255825 /nfs/dbraw/zinc/25/58/25/1303255825.db2.gz NFZIUJZTNLNLDU-BEFAXECRSA-N 2 1 330.472 3.240 20 10 EGCDMP CC(C)[N@@H+](Cc1ccco1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775649324 1304002990 /nfs/dbraw/zinc/00/29/90/1304002990.db2.gz OGYTVMMAZJTZAR-UHFFFAOYSA-N 2 1 327.472 3.442 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCc4sccc4C3)cc2)CC1 ZINC000775690813 1304015885 /nfs/dbraw/zinc/01/58/85/1304015885.db2.gz XPQDGMRZGWLNEQ-UHFFFAOYSA-N 2 1 341.524 3.448 20 10 EGCDMP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1(C)C ZINC000775716421 1304020521 /nfs/dbraw/zinc/02/05/21/1304020521.db2.gz WRWIMABFOSQAPG-WOJBJXKFSA-N 2 1 345.531 3.074 20 10 EGCDMP CN(C)c1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)c(C(F)(F)F)c1 ZINC000792889691 1309252190 /nfs/dbraw/zinc/25/21/90/1309252190.db2.gz IEDNKUOIQAQIFP-UHFFFAOYSA-N 2 1 331.426 3.449 20 10 EGCDMP CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809763836 1317893408 /nfs/dbraw/zinc/89/34/08/1317893408.db2.gz AHRAAACPYVYKPC-OAQYLSRUSA-N 2 1 338.499 3.417 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1Cl ZINC000824938189 1320297986 /nfs/dbraw/zinc/29/79/86/1320297986.db2.gz GSERLZCQAJWPSY-YXJHDRRASA-N 2 1 338.879 3.038 20 10 EGCDMP Cc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1Cl ZINC000824938189 1320297990 /nfs/dbraw/zinc/29/79/90/1320297990.db2.gz GSERLZCQAJWPSY-YXJHDRRASA-N 2 1 338.879 3.038 20 10 EGCDMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934844 1320372235 /nfs/dbraw/zinc/37/22/35/1320372235.db2.gz LKCTZPRLGBWOAD-KSSFIOAISA-N 2 1 334.504 3.470 20 10 EGCDMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934844 1320372237 /nfs/dbraw/zinc/37/22/37/1320372237.db2.gz LKCTZPRLGBWOAD-KSSFIOAISA-N 2 1 334.504 3.470 20 10 EGCDMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934844 1320372242 /nfs/dbraw/zinc/37/22/42/1320372242.db2.gz LKCTZPRLGBWOAD-KSSFIOAISA-N 2 1 334.504 3.470 20 10 EGCDMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934844 1320372249 /nfs/dbraw/zinc/37/22/49/1320372249.db2.gz LKCTZPRLGBWOAD-KSSFIOAISA-N 2 1 334.504 3.470 20 10 EGCDMP CC[C@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)CC[C@@H]1[NH3+] ZINC000843052337 1321461716 /nfs/dbraw/zinc/46/17/16/1321461716.db2.gz OWDNYFHGWXLLFW-FZMZJTMJSA-N 2 1 327.266 3.022 20 10 EGCDMP Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843125936 1321474447 /nfs/dbraw/zinc/47/44/47/1321474447.db2.gz DAAGTQYIECTSOP-OLZOCXBDSA-N 2 1 326.843 3.396 20 10 EGCDMP Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843125936 1321474449 /nfs/dbraw/zinc/47/44/49/1321474449.db2.gz DAAGTQYIECTSOP-OLZOCXBDSA-N 2 1 326.843 3.396 20 10 EGCDMP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1O ZINC000850516678 1322260125 /nfs/dbraw/zinc/26/01/25/1322260125.db2.gz JUNQXAORJQGRCV-HNNXBMFYSA-N 2 1 343.446 3.489 20 10 EGCDMP CCOC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCCC1 ZINC001324272090 1387576724 /nfs/dbraw/zinc/57/67/24/1387576724.db2.gz IDCHAKJEGIDRKV-UHFFFAOYSA-N 2 1 349.494 3.016 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC[C@H]1C[NH3+] ZINC001205652498 1370829253 /nfs/dbraw/zinc/82/92/53/1370829253.db2.gz PTESOWDXLXBWMJ-OLZOCXBDSA-N 2 1 346.393 3.140 20 10 EGCDMP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCC[C@@H]1C[NH3+] ZINC001206023301 1370941531 /nfs/dbraw/zinc/94/15/31/1370941531.db2.gz FTRXOXXGPAKUMK-QWHCGFSZSA-N 2 1 346.393 3.140 20 10 EGCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001206312049 1371018053 /nfs/dbraw/zinc/01/80/53/1371018053.db2.gz YLYBBBBCZQFHSQ-OAQYLSRUSA-N 2 1 327.516 3.336 20 10 EGCDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC001206541729 1371087706 /nfs/dbraw/zinc/08/77/06/1371087706.db2.gz INHHCRFQNZKTFT-HNNXBMFYSA-N 2 1 327.266 3.106 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1Br ZINC001206641273 1371116515 /nfs/dbraw/zinc/11/65/15/1371116515.db2.gz VONXJRQUCSDLFT-LBPRGKRZSA-N 2 1 327.266 3.024 20 10 EGCDMP COc1cc(C[N@H+](C)Cc2ccc(Cl)nc2)cc(C[NH+](C)C)c1O ZINC001139258885 1377857901 /nfs/dbraw/zinc/85/79/01/1377857901.db2.gz ZHQHFONAMSXION-UHFFFAOYSA-N 2 1 349.862 3.143 20 10 EGCDMP COc1cc(C[N@@H+](C)Cc2ccc(Cl)nc2)cc(C[NH+](C)C)c1O ZINC001139258885 1377857904 /nfs/dbraw/zinc/85/79/04/1377857904.db2.gz ZHQHFONAMSXION-UHFFFAOYSA-N 2 1 349.862 3.143 20 10 EGCDMP C[NH+]1CCC2(CC[N@@H+](Cc3c(O)cccc3Br)C2)CC1 ZINC001140101304 1378007657 /nfs/dbraw/zinc/00/76/57/1378007657.db2.gz QUXKORVHQCPWFY-UHFFFAOYSA-N 2 1 339.277 3.072 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC001140299599 1378042800 /nfs/dbraw/zinc/04/28/00/1378042800.db2.gz BIIFXXUBIVDRJZ-UHFFFAOYSA-N 2 1 335.495 3.387 20 10 EGCDMP COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c(OC)c1 ZINC001141028370 1378212273 /nfs/dbraw/zinc/21/22/73/1378212273.db2.gz MEGXVSUOPVBGRO-MRXNPFEDSA-N 2 1 348.487 3.250 20 10 EGCDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c(OC)c1 ZINC001141028370 1378212279 /nfs/dbraw/zinc/21/22/79/1378212279.db2.gz MEGXVSUOPVBGRO-MRXNPFEDSA-N 2 1 348.487 3.250 20 10 EGCDMP COc1cc[nH+]c(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001155629229 1380476104 /nfs/dbraw/zinc/47/61/04/1380476104.db2.gz DGKVHNSRXDCXSP-GMLUQMLDSA-N 2 1 339.483 3.490 20 10 EGCDMP C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319946514 1386409743 /nfs/dbraw/zinc/40/97/43/1386409743.db2.gz NOTOSQCPAOWAFC-INIZCTEOSA-N 2 1 342.462 3.166 20 10 EGCDMP C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319946514 1386409745 /nfs/dbraw/zinc/40/97/45/1386409745.db2.gz NOTOSQCPAOWAFC-INIZCTEOSA-N 2 1 342.462 3.166 20 10 EGCDMP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337282854 1389293338 /nfs/dbraw/zinc/29/33/38/1389293338.db2.gz VMQIWNUKDWDVCY-MRXNPFEDSA-N 2 1 342.462 3.132 20 10 EGCDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC001331522689 1389782087 /nfs/dbraw/zinc/78/20/87/1389782087.db2.gz IVXOOQYVHQGEOY-OAHLLOKOSA-N 2 1 334.423 3.046 20 10 EGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124362244 454723426 /nfs/dbraw/zinc/72/34/26/454723426.db2.gz YEOLFFKFZGOVHY-GOSISDBHSA-N 2 1 346.563 3.067 20 10 EGCDMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185314587 455537915 /nfs/dbraw/zinc/53/79/15/455537915.db2.gz DKMZWRGMNUTPNA-MRXNPFEDSA-N 2 1 346.515 3.423 20 10 EGCDMP COc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1O ZINC000279527361 455866414 /nfs/dbraw/zinc/86/64/14/455866414.db2.gz ZCOMRWQCROMYCL-UHFFFAOYSA-N 2 1 341.455 3.313 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000378371884 457394434 /nfs/dbraw/zinc/39/44/34/457394434.db2.gz QHHMQJLILVDUHI-PWRODBHTSA-N 2 1 345.531 3.216 20 10 EGCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Br)ccc1O ZINC000363861417 457456925 /nfs/dbraw/zinc/45/69/25/457456925.db2.gz WPEUQTMRYXWLNT-YUTCNCBUSA-N 2 1 339.277 3.432 20 10 EGCDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000122698816 1293421718 /nfs/dbraw/zinc/42/17/18/1293421718.db2.gz AFQATQFDLCJTLM-WIYYLYMNSA-N 2 1 347.547 3.288 20 10 EGCDMP CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000131379279 1293688440 /nfs/dbraw/zinc/68/84/40/1293688440.db2.gz YSNSWDCYTVLTIR-HNNXBMFYSA-N 2 1 332.488 3.313 20 10 EGCDMP CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000131379279 1293688442 /nfs/dbraw/zinc/68/84/42/1293688442.db2.gz YSNSWDCYTVLTIR-HNNXBMFYSA-N 2 1 332.488 3.313 20 10 EGCDMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000163105997 1294328113 /nfs/dbraw/zinc/32/81/13/1294328113.db2.gz CYBWNDKFNSFHGV-LJQANCHMSA-N 2 1 343.471 3.359 20 10 EGCDMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000163105997 1294328119 /nfs/dbraw/zinc/32/81/19/1294328119.db2.gz CYBWNDKFNSFHGV-LJQANCHMSA-N 2 1 343.471 3.359 20 10 EGCDMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000702555047 1298194998 /nfs/dbraw/zinc/19/49/98/1298194998.db2.gz YKBLNBXNRJWGPE-PZJWPPBQSA-N 2 1 340.467 3.070 20 10 EGCDMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000702555047 1298195008 /nfs/dbraw/zinc/19/50/08/1298195008.db2.gz YKBLNBXNRJWGPE-PZJWPPBQSA-N 2 1 340.467 3.070 20 10 EGCDMP COCCC[NH+]1CCC([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756527972 1300515147 /nfs/dbraw/zinc/51/51/47/1300515147.db2.gz LMLXRSHVTUFOGO-BBRMVZONSA-N 2 1 336.451 3.170 20 10 EGCDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000762650164 1301720761 /nfs/dbraw/zinc/72/07/61/1301720761.db2.gz POZXIRBCEQIBAZ-IAGOWNOFSA-N 2 1 346.515 3.423 20 10 EGCDMP Cc1nc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000883289288 1302367404 /nfs/dbraw/zinc/36/74/04/1302367404.db2.gz KAUMXLMKYAAKMW-AWEZNQCLSA-N 2 1 330.501 3.054 20 10 EGCDMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)ccc1O ZINC000775501230 1303975134 /nfs/dbraw/zinc/97/51/34/1303975134.db2.gz CNRMRRWYBXNINU-QGZVFWFLSA-N 2 1 339.911 3.114 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000775643326 1304001956 /nfs/dbraw/zinc/00/19/56/1304001956.db2.gz UIZMXBCEIJJCFA-MRXNPFEDSA-N 2 1 341.421 3.213 20 10 EGCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccc(F)c(F)c1 ZINC000775649869 1304003614 /nfs/dbraw/zinc/00/36/14/1304003614.db2.gz UIRBZOKEBGUAMD-UHFFFAOYSA-N 2 1 345.437 3.349 20 10 EGCDMP CC[N@@H+](CCC(F)(F)F)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775669136 1304010313 /nfs/dbraw/zinc/01/03/13/1304010313.db2.gz SOTLBTHZGIZLLI-UHFFFAOYSA-N 2 1 329.410 3.213 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)c2c1 ZINC000793742594 1309434807 /nfs/dbraw/zinc/43/48/07/1309434807.db2.gz GXFUKLAMAOWZKL-FQEVSTJZSA-N 2 1 326.440 3.082 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)c2c1 ZINC000793742594 1309434811 /nfs/dbraw/zinc/43/48/11/1309434811.db2.gz GXFUKLAMAOWZKL-FQEVSTJZSA-N 2 1 326.440 3.082 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC000793742594 1309434819 /nfs/dbraw/zinc/43/48/19/1309434819.db2.gz GXFUKLAMAOWZKL-FQEVSTJZSA-N 2 1 326.440 3.082 20 10 EGCDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc2ccccc2c1O ZINC000799726210 1310606332 /nfs/dbraw/zinc/60/63/32/1310606332.db2.gz MJPBNYGWFNGWBP-INIZCTEOSA-N 2 1 341.499 3.222 20 10 EGCDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816516850 1319173624 /nfs/dbraw/zinc/17/36/24/1319173624.db2.gz TWIXVBFRKQQKFH-AWEZNQCLSA-N 2 1 344.858 3.117 20 10 EGCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816516850 1319173629 /nfs/dbraw/zinc/17/36/29/1319173629.db2.gz TWIXVBFRKQQKFH-AWEZNQCLSA-N 2 1 344.858 3.117 20 10 EGCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Br)cc1O ZINC000825928060 1320372415 /nfs/dbraw/zinc/37/24/15/1320372415.db2.gz LQHVJDYJUIUCHB-UHFFFAOYSA-N 2 1 338.249 3.182 20 10 EGCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Br)cc1O ZINC000825928060 1320372420 /nfs/dbraw/zinc/37/24/20/1320372420.db2.gz LQHVJDYJUIUCHB-UHFFFAOYSA-N 2 1 338.249 3.182 20 10 EGCDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000843058752 1321463955 /nfs/dbraw/zinc/46/39/55/1321463955.db2.gz XJEIGSHDXCBLPN-RDJZCZTQSA-N 2 1 326.440 3.140 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1O ZINC000843120178 1321473090 /nfs/dbraw/zinc/47/30/90/1321473090.db2.gz LPINYPCIGRIIIX-UHFFFAOYSA-N 2 1 339.277 3.039 20 10 EGCDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000846703526 1321803263 /nfs/dbraw/zinc/80/32/63/1321803263.db2.gz OOEWXUUGNCLVMI-QAPCUYQASA-N 2 1 326.440 3.283 20 10 EGCDMP C[N@H+](Cc1ccc(O)c(O)c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001203880686 1370298652 /nfs/dbraw/zinc/29/86/52/1370298652.db2.gz WCQBPVGLJWXSFF-UHFFFAOYSA-N 2 1 340.467 3.442 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1Br ZINC001205652389 1370829396 /nfs/dbraw/zinc/82/93/96/1370829396.db2.gz PJEZJDZQQAGDAW-AAEUAGOBSA-N 2 1 341.293 3.270 20 10 EGCDMP CC(C)(C)c1cc(O)c(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1Cl ZINC001205736112 1370855799 /nfs/dbraw/zinc/85/57/99/1370855799.db2.gz VBQPWYPGNHRDAR-SFHVURJKSA-N 2 1 340.895 3.019 20 10 EGCDMP CN(C)c1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c2ccccc21 ZINC001205762890 1370864086 /nfs/dbraw/zinc/86/40/86/1370864086.db2.gz OKNOVWFTFGICLT-OAHLLOKOSA-N 2 1 333.426 3.322 20 10 EGCDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC001206556296 1371092668 /nfs/dbraw/zinc/09/26/68/1371092668.db2.gz QTKMZRSIIYHHQA-HNNXBMFYSA-N 2 1 327.266 3.106 20 10 EGCDMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001206573230 1371097337 /nfs/dbraw/zinc/09/73/37/1371097337.db2.gz KJRCLLZHJBWGDE-HNNXBMFYSA-N 2 1 332.366 3.242 20 10 EGCDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001206573230 1371097342 /nfs/dbraw/zinc/09/73/42/1371097342.db2.gz KJRCLLZHJBWGDE-HNNXBMFYSA-N 2 1 332.366 3.242 20 10 EGCDMP COc1cc(Cl)cc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c1O ZINC001233290909 1376605416 /nfs/dbraw/zinc/60/54/16/1376605416.db2.gz COSYNNPOLIGLNB-UHFFFAOYSA-N 2 1 347.846 3.080 20 10 EGCDMP c1c(C[N@H+]2CCCCC23CC[NH2+]CC3)cc2c3c1CCCN3CCC2 ZINC001235189394 1376856735 /nfs/dbraw/zinc/85/67/35/1376856735.db2.gz KKCDRXLCUKOWQN-UHFFFAOYSA-N 2 1 339.527 3.494 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)C4(F)F)cc2)CC1 ZINC001140302351 1378042867 /nfs/dbraw/zinc/04/28/67/1378042867.db2.gz PBLPEWBYJUCALR-HDICACEKSA-N 2 1 349.469 3.306 20 10 EGCDMP Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c1 ZINC001140619904 1378099645 /nfs/dbraw/zinc/09/96/45/1378099645.db2.gz UMLAWSRMEQEXFI-HXUWFJFHSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1ccc(O)c(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001140619904 1378099647 /nfs/dbraw/zinc/09/96/47/1378099647.db2.gz UMLAWSRMEQEXFI-HXUWFJFHSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1ccc(O)c(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001140619904 1378099648 /nfs/dbraw/zinc/09/96/48/1378099648.db2.gz UMLAWSRMEQEXFI-HXUWFJFHSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1ccc(O)c(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001140619904 1378099649 /nfs/dbraw/zinc/09/96/49/1378099649.db2.gz UMLAWSRMEQEXFI-HXUWFJFHSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001140619904 1378099651 /nfs/dbraw/zinc/09/96/51/1378099651.db2.gz UMLAWSRMEQEXFI-HXUWFJFHSA-N 2 1 332.488 3.023 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(O)c1 ZINC001140855623 1378158713 /nfs/dbraw/zinc/15/87/13/1378158713.db2.gz GBDRWFZEIMCTQG-UHFFFAOYSA-N 2 1 331.504 3.156 20 10 EGCDMP Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c(O)c1 ZINC001140952186 1378189766 /nfs/dbraw/zinc/18/97/66/1378189766.db2.gz HQUSEZFTXDYUCH-FQEVSTJZSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c(O)c1 ZINC001140952186 1378189771 /nfs/dbraw/zinc/18/97/71/1378189771.db2.gz HQUSEZFTXDYUCH-FQEVSTJZSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c(O)c1 ZINC001140952186 1378189776 /nfs/dbraw/zinc/18/97/76/1378189776.db2.gz HQUSEZFTXDYUCH-FQEVSTJZSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c(O)c1 ZINC001140952186 1378189780 /nfs/dbraw/zinc/18/97/80/1378189780.db2.gz HQUSEZFTXDYUCH-FQEVSTJZSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c(O)c1 ZINC001140952186 1378189782 /nfs/dbraw/zinc/18/97/82/1378189782.db2.gz HQUSEZFTXDYUCH-FQEVSTJZSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000275337287 456272679 /nfs/dbraw/zinc/27/26/79/456272679.db2.gz NZZCVVPJIWWAGC-LLVKDONJSA-N 2 1 338.249 3.319 20 10 EGCDMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1O ZINC000157931307 455250570 /nfs/dbraw/zinc/25/05/70/455250570.db2.gz ROOPKXYTFLOMCN-ICSRJNTNSA-N 2 1 340.467 3.200 20 10 EGCDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1O ZINC000183386857 455285843 /nfs/dbraw/zinc/28/58/43/455285843.db2.gz ZMLJOFFNHUGVMZ-MRXNPFEDSA-N 2 1 326.440 3.075 20 10 EGCDMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccccc3O)CC2)nc(C)[nH+]1 ZINC000183545443 455304314 /nfs/dbraw/zinc/30/43/14/455304314.db2.gz IGSUBRGBRYIOFW-CQSZACIVSA-N 2 1 326.444 3.119 20 10 EGCDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Br)cc1O ZINC000273344621 456223549 /nfs/dbraw/zinc/22/35/49/456223549.db2.gz AGJKPGSEHRQLLZ-LLVKDONJSA-N 2 1 325.250 3.067 20 10 EGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)[C@H](C)C1 ZINC000297549391 456249159 /nfs/dbraw/zinc/24/91/59/456249159.db2.gz FOGDUNIPKURBRW-BPQIPLTHSA-N 2 1 332.488 3.106 20 10 EGCDMP CCN1CCC([N@@H+](C)Cc2ccc(Br)cc2[O-])CC1 ZINC000691673001 1298136130 /nfs/dbraw/zinc/13/61/30/1298136130.db2.gz CAIMOBSAWYJCCZ-UHFFFAOYSA-N 2 1 327.266 3.071 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)c2c1 ZINC000164652735 1294351407 /nfs/dbraw/zinc/35/14/07/1294351407.db2.gz HMIMPRNQXGUVLI-JXFKEZNVSA-N 2 1 340.467 3.470 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1 ZINC000164652735 1294351411 /nfs/dbraw/zinc/35/14/11/1294351411.db2.gz HMIMPRNQXGUVLI-JXFKEZNVSA-N 2 1 340.467 3.470 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2c1 ZINC000164652735 1294351417 /nfs/dbraw/zinc/35/14/17/1294351417.db2.gz HMIMPRNQXGUVLI-JXFKEZNVSA-N 2 1 340.467 3.470 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000775643325 1304002144 /nfs/dbraw/zinc/00/21/44/1304002144.db2.gz UIZMXBCEIJJCFA-INIZCTEOSA-N 2 1 341.421 3.213 20 10 EGCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cccc(F)c1 ZINC000775642709 1304002437 /nfs/dbraw/zinc/00/24/37/1304002437.db2.gz NCFVSJQMOWHUDD-UHFFFAOYSA-N 2 1 327.447 3.210 20 10 EGCDMP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775716754 1304020506 /nfs/dbraw/zinc/02/05/06/1304020506.db2.gz NKPUAXGQGFSJAJ-GOSISDBHSA-N 2 1 335.495 3.385 20 10 EGCDMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000817981260 1319485879 /nfs/dbraw/zinc/48/58/79/1319485879.db2.gz QSFCFKPJCZWBHP-PXNSSMCTSA-N 2 1 331.504 3.096 20 10 EGCDMP CN(Cc1cccs1)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000824302675 1320246739 /nfs/dbraw/zinc/24/67/39/1320246739.db2.gz ZPPOSSJGUOODCN-HDICACEKSA-N 2 1 341.524 3.378 20 10 EGCDMP Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000840975898 1321192741 /nfs/dbraw/zinc/19/27/41/1321192741.db2.gz MCTIVDHSKNQNAS-OAHLLOKOSA-N 2 1 346.544 3.300 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000841089409 1321216672 /nfs/dbraw/zinc/21/66/72/1321216672.db2.gz MSZDZGHPQDSKJN-CYBMUJFWSA-N 2 1 339.277 3.227 20 10 EGCDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000843058501 1321464355 /nfs/dbraw/zinc/46/43/55/1321464355.db2.gz UTFXACYBQLUSQU-NVXWUHKLSA-N 2 1 326.440 3.140 20 10 EGCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125833 1321473921 /nfs/dbraw/zinc/47/39/21/1321473921.db2.gz JIUWGEPQHGSYNT-VQTJNVASSA-N 2 1 327.516 3.498 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1Br ZINC001206574628 1371097738 /nfs/dbraw/zinc/09/77/38/1371097738.db2.gz SPSQTZFQXOWNEI-INIZCTEOSA-N 2 1 341.293 3.414 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC[C@H]1C[NH3+] ZINC001205636531 1370820485 /nfs/dbraw/zinc/82/04/85/1370820485.db2.gz DGJFORTZDVARRT-RYUDHWBXSA-N 2 1 332.366 3.098 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+](C3CC3)C3CCCC3)cc2F)CC1 ZINC001116439676 1370911535 /nfs/dbraw/zinc/91/15/35/1370911535.db2.gz MRSARWJDNJZIQS-UHFFFAOYSA-N 2 1 331.479 3.485 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+](C3CC3)C3CCCC3)cc2F)CC1 ZINC001116439676 1370911538 /nfs/dbraw/zinc/91/15/38/1370911538.db2.gz MRSARWJDNJZIQS-UHFFFAOYSA-N 2 1 331.479 3.485 20 10 EGCDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001206556479 1371093759 /nfs/dbraw/zinc/09/37/59/1371093759.db2.gz SSKKBQXADRGLQJ-OAQYLSRUSA-N 2 1 327.516 3.336 20 10 EGCDMP C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[NH2+]1 ZINC001210498779 1372367185 /nfs/dbraw/zinc/36/71/85/1372367185.db2.gz RSBCHKXCWDUTLP-INIZCTEOSA-N 2 1 326.440 3.155 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[NH2+]1 ZINC001210498779 1372367189 /nfs/dbraw/zinc/36/71/89/1372367189.db2.gz RSBCHKXCWDUTLP-INIZCTEOSA-N 2 1 326.440 3.155 20 10 EGCDMP COc1ccccc1C[N@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139256757 1377858694 /nfs/dbraw/zinc/85/86/94/1377858694.db2.gz JOBJTOSYTMBKRK-UHFFFAOYSA-N 2 1 344.455 3.103 20 10 EGCDMP COc1ccccc1C[N@@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139256757 1377858697 /nfs/dbraw/zinc/85/86/97/1377858697.db2.gz JOBJTOSYTMBKRK-UHFFFAOYSA-N 2 1 344.455 3.103 20 10 EGCDMP COCCC[NH+]1CCC([NH2+]Cc2cc3ccccc3cc2O)CC1 ZINC001172247075 1384755544 /nfs/dbraw/zinc/75/55/44/1384755544.db2.gz CIESMHHKLKJMQV-UHFFFAOYSA-N 2 1 328.456 3.136 20 10 EGCDMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1O ZINC000185206378 455521873 /nfs/dbraw/zinc/52/18/73/455521873.db2.gz QULXLQUKXKDCKK-FQEVSTJZSA-N 2 1 340.467 3.465 20 10 EGCDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000294865944 455829809 /nfs/dbraw/zinc/82/98/09/455829809.db2.gz DLHQXBPNWAAADY-IBGZPJMESA-N 2 1 345.531 3.075 20 10 EGCDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000294865944 455829819 /nfs/dbraw/zinc/82/98/19/455829819.db2.gz DLHQXBPNWAAADY-IBGZPJMESA-N 2 1 345.531 3.075 20 10 EGCDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000294865944 455829824 /nfs/dbraw/zinc/82/98/24/455829824.db2.gz DLHQXBPNWAAADY-IBGZPJMESA-N 2 1 345.531 3.075 20 10 EGCDMP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1O ZINC000286191316 455997568 /nfs/dbraw/zinc/99/75/68/455997568.db2.gz QVZVKGUHBCXRQL-KRWDZBQOSA-N 2 1 347.434 3.108 20 10 EGCDMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1O ZINC000290161773 456256488 /nfs/dbraw/zinc/25/64/88/456256488.db2.gz DGGQFWSJCZWOQG-AWEZNQCLSA-N 2 1 347.434 3.108 20 10 EGCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(C(C)(C)C)cc(O)c3O)CC[C@@H]21 ZINC000164689666 1294352314 /nfs/dbraw/zinc/35/23/14/1294352314.db2.gz ZRVYIBWHNMCVRX-PBHICJAKSA-N 2 1 332.488 3.311 20 10 EGCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(C(C)(C)C)cc(O)c3O)CC[C@@H]21 ZINC000164689666 1294352316 /nfs/dbraw/zinc/35/23/16/1294352316.db2.gz ZRVYIBWHNMCVRX-PBHICJAKSA-N 2 1 332.488 3.311 20 10 EGCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(C(C)(C)C)cc(O)c3O)CC[C@@H]21 ZINC000164689666 1294352319 /nfs/dbraw/zinc/35/23/19/1294352319.db2.gz ZRVYIBWHNMCVRX-PBHICJAKSA-N 2 1 332.488 3.311 20 10 EGCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(Br)c3[O-])CC[C@H]21 ZINC000228183409 1296150572 /nfs/dbraw/zinc/15/05/72/1296150572.db2.gz MLYBDRGLZBETHT-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000715542429 1298280219 /nfs/dbraw/zinc/28/02/19/1298280219.db2.gz LDHHIRBEGPOSCH-RYUDHWBXSA-N 2 1 327.266 3.117 20 10 EGCDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756792197 1300566603 /nfs/dbraw/zinc/56/66/03/1300566603.db2.gz ZVBDVGJWTNLRCY-JTQLQIEISA-N 2 1 343.240 3.206 20 10 EGCDMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(Br)c(F)cc1O ZINC000756792197 1300566611 /nfs/dbraw/zinc/56/66/11/1300566611.db2.gz ZVBDVGJWTNLRCY-JTQLQIEISA-N 2 1 343.240 3.206 20 10 EGCDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Br)c(F)cc1O ZINC000756792197 1300566619 /nfs/dbraw/zinc/56/66/19/1300566619.db2.gz ZVBDVGJWTNLRCY-JTQLQIEISA-N 2 1 343.240 3.206 20 10 EGCDMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000775258294 1303931171 /nfs/dbraw/zinc/93/11/71/1303931171.db2.gz WNFHNMGTSULNJQ-HKUYNNGSSA-N 2 1 331.504 3.048 20 10 EGCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccc(Cl)nc1 ZINC000775648933 1304002843 /nfs/dbraw/zinc/00/28/43/1304002843.db2.gz ZBMBBGPNBLLRNH-UHFFFAOYSA-N 2 1 344.890 3.119 20 10 EGCDMP COc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(O)c1OC ZINC000894456872 1308900044 /nfs/dbraw/zinc/90/00/44/1308900044.db2.gz UCRHLGAPPJQUBV-UHFFFAOYSA-N 2 1 344.455 3.103 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000839182943 1320887707 /nfs/dbraw/zinc/88/77/07/1320887707.db2.gz SBTJVNPGZXULEH-CYBMUJFWSA-N 2 1 341.293 3.285 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000839182943 1320887710 /nfs/dbraw/zinc/88/77/10/1320887710.db2.gz SBTJVNPGZXULEH-CYBMUJFWSA-N 2 1 341.293 3.285 20 10 EGCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1O ZINC000808694576 1317717786 /nfs/dbraw/zinc/71/77/86/1317717786.db2.gz FKGSYGFFSSHDKX-GDBMZVCRSA-N 2 1 340.895 3.242 20 10 EGCDMP CC(C)[C@@H]1[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC12CCC2 ZINC000814170891 1318687547 /nfs/dbraw/zinc/68/75/47/1318687547.db2.gz GGTGWGSTRBDMIK-FQEVSTJZSA-N 2 1 327.516 3.449 20 10 EGCDMP CSC[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000814178866 1318691742 /nfs/dbraw/zinc/69/17/42/1318691742.db2.gz GOSMTBFHLZFOPF-GOSISDBHSA-N 2 1 333.545 3.013 20 10 EGCDMP C[NH2+]CCC1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000843057426 1321464277 /nfs/dbraw/zinc/46/42/77/1321464277.db2.gz LPKNESFUYIWHJI-UHFFFAOYSA-N 2 1 341.293 3.285 20 10 EGCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125829 1321473270 /nfs/dbraw/zinc/47/32/70/1321473270.db2.gz JIUWGEPQHGSYNT-PMACEKPBSA-N 2 1 327.516 3.498 20 10 EGCDMP Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843126758 1321474095 /nfs/dbraw/zinc/47/40/95/1321474095.db2.gz MQZFEGGUTLTTMN-XLIONFOSSA-N 2 1 338.451 3.155 20 10 EGCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1O ZINC000843127879 1321474280 /nfs/dbraw/zinc/47/42/80/1321474280.db2.gz UFJVAFUBQRQQFH-KBPBESRZSA-N 2 1 338.879 3.266 20 10 EGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(CC)c2O)[C@@H](C)C1 ZINC000848895309 1322034251 /nfs/dbraw/zinc/03/42/51/1322034251.db2.gz LWWBWEGEFKRICY-LPHOPBHVSA-N 2 1 334.504 3.181 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)c1 ZINC000866470190 1330116397 /nfs/dbraw/zinc/11/63/97/1330116397.db2.gz UXEQPZAZSWUDOJ-OAHLLOKOSA-N 2 1 348.487 3.340 20 10 EGCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1CCC[NH2+]CC1 ZINC001204674814 1370543112 /nfs/dbraw/zinc/54/31/12/1370543112.db2.gz FSELYDCLLSTHLL-UHFFFAOYSA-N 2 1 335.245 3.103 20 10 EGCDMP Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742166 1370562224 /nfs/dbraw/zinc/56/22/24/1370562224.db2.gz JDFVPGLXBHDBQU-UHFFFAOYSA-N 2 1 344.377 3.256 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)C[C@@H]1C[NH3+] ZINC001205317969 1370719870 /nfs/dbraw/zinc/71/98/70/1370719870.db2.gz RBYQLIRXGHIQQA-APWZRJJASA-N 2 1 340.467 3.388 20 10 EGCDMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001205333267 1370724229 /nfs/dbraw/zinc/72/42/29/1370724229.db2.gz YYOCOKLTJXUUDT-INIZCTEOSA-N 2 1 326.440 3.155 20 10 EGCDMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001205333267 1370724233 /nfs/dbraw/zinc/72/42/33/1370724233.db2.gz YYOCOKLTJXUUDT-INIZCTEOSA-N 2 1 326.440 3.155 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205652014 1370828916 /nfs/dbraw/zinc/82/89/16/1370828916.db2.gz NGEQZDHIJXEXJP-NWDGAFQWSA-N 2 1 332.366 3.098 20 10 EGCDMP Oc1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430885 1376872597 /nfs/dbraw/zinc/87/25/97/1376872597.db2.gz YKFKSKHZOLDWTO-OLZOCXBDSA-N 2 1 326.843 3.396 20 10 EGCDMP Oc1cc(Cl)c(F)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430885 1376872605 /nfs/dbraw/zinc/87/26/05/1376872605.db2.gz YKFKSKHZOLDWTO-OLZOCXBDSA-N 2 1 326.843 3.396 20 10 EGCDMP CCC[N@H+](Cc1cc(Br)c(C)cc1O)C[C@@H]1CC[NH2+]C1 ZINC001236845066 1376965756 /nfs/dbraw/zinc/96/57/56/1376965756.db2.gz YPCBWVADBTUNIG-CYBMUJFWSA-N 2 1 341.293 3.285 20 10 EGCDMP COc1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139259217 1377858726 /nfs/dbraw/zinc/85/87/26/1377858726.db2.gz NAVAXIGYCUAHEL-HNNXBMFYSA-N 2 1 340.467 3.409 20 10 EGCDMP COc1cc(C[N@@H+](C)Cc2cccc(C)c2)cc(C[NH+](C)C)c1O ZINC001139253109 1377858742 /nfs/dbraw/zinc/85/87/42/1377858742.db2.gz MBOHLUDHCNOXEG-UHFFFAOYSA-N 2 1 328.456 3.403 20 10 EGCDMP Cc1ccc(C)c(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1O ZINC001140182255 1378027123 /nfs/dbraw/zinc/02/71/23/1378027123.db2.gz MSMGTVDGUMOVDY-UHFFFAOYSA-N 2 1 332.488 3.084 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCn4cccc4[C@@H]3C)cc2)CC1 ZINC001140305660 1378042909 /nfs/dbraw/zinc/04/29/09/1378042909.db2.gz FCUQBZHPCRSGGI-SFHVURJKSA-N 2 1 338.499 3.207 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCn4cccc4[C@@H]3C)cc2)CC1 ZINC001140305660 1378042910 /nfs/dbraw/zinc/04/29/10/1378042910.db2.gz FCUQBZHPCRSGGI-SFHVURJKSA-N 2 1 338.499 3.207 20 10 EGCDMP CN1CCN(c2ccc(C[N@H+]3CCc4ccccc4C3)cc2F)CC1 ZINC001322770718 1387236179 /nfs/dbraw/zinc/23/61/79/1387236179.db2.gz XEHLCHXCCRYGJP-UHFFFAOYSA-N 2 1 339.458 3.136 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4ccccc4C3)cc2F)CC1 ZINC001322770718 1387236185 /nfs/dbraw/zinc/23/61/85/1387236185.db2.gz XEHLCHXCCRYGJP-UHFFFAOYSA-N 2 1 339.458 3.136 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2F)CC1 ZINC001336105598 1389015147 /nfs/dbraw/zinc/01/51/47/1389015147.db2.gz QOBHIDLLSBBAHV-UHFFFAOYSA-N 2 1 341.421 3.245 20 10 EGCDMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1C ZINC001338751763 1389751739 /nfs/dbraw/zinc/75/17/39/1389751739.db2.gz QPIGELJEFPGZCO-GJYPPUQNSA-N 2 1 333.495 3.492 20 10 EGCDMP C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001338752203 1389752507 /nfs/dbraw/zinc/75/25/07/1389752507.db2.gz UCHDMGOICDKMLL-IAGOWNOFSA-N 2 1 333.495 3.493 20 10 EGCDMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Br)ccc3O)CC[C@H]21 ZINC000228183508 456121304 /nfs/dbraw/zinc/12/13/04/456121304.db2.gz TUYPNQAMPWNAKI-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Br)ccc3O)CC[C@H]21 ZINC000228183508 456121310 /nfs/dbraw/zinc/12/13/10/456121310.db2.gz TUYPNQAMPWNAKI-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Br)ccc3O)CC[C@H]21 ZINC000228183508 456121315 /nfs/dbraw/zinc/12/13/15/456121315.db2.gz TUYPNQAMPWNAKI-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)CC[C@H]21 ZINC000228183508 456121320 /nfs/dbraw/zinc/12/13/20/456121320.db2.gz TUYPNQAMPWNAKI-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccc1O ZINC000183446124 455293337 /nfs/dbraw/zinc/29/33/37/455293337.db2.gz KKEFWDBLNSKLFN-IRXDYDNUSA-N 2 1 340.467 3.464 20 10 EGCDMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccc1O ZINC000183446124 455293344 /nfs/dbraw/zinc/29/33/44/455293344.db2.gz KKEFWDBLNSKLFN-IRXDYDNUSA-N 2 1 340.467 3.464 20 10 EGCDMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268737967 455711508 /nfs/dbraw/zinc/71/15/08/455711508.db2.gz CEQJANVCEKJBNF-MRXNPFEDSA-N 2 1 337.483 3.043 20 10 EGCDMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268737967 455711514 /nfs/dbraw/zinc/71/15/14/455711514.db2.gz CEQJANVCEKJBNF-MRXNPFEDSA-N 2 1 337.483 3.043 20 10 EGCDMP CCOc1ccc(O)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192920651 455717732 /nfs/dbraw/zinc/71/77/32/455717732.db2.gz YNQUMXWPDCNIGQ-GOSISDBHSA-N 2 1 340.467 3.403 20 10 EGCDMP COc1ccc(O)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192933006 455720529 /nfs/dbraw/zinc/72/05/29/455720529.db2.gz BUZJMBFJGJGZFZ-QGZVFWFLSA-N 2 1 326.440 3.013 20 10 EGCDMP COc1ccc(O)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192932992 455720984 /nfs/dbraw/zinc/72/09/84/455720984.db2.gz BUZJMBFJGJGZFZ-KRWDZBQOSA-N 2 1 326.440 3.013 20 10 EGCDMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(O)c1 ZINC000186520302 455785354 /nfs/dbraw/zinc/78/53/54/455785354.db2.gz QSKSTPSWVKPNLZ-APWZRJJASA-N 2 1 340.467 3.118 20 10 EGCDMP COC1CCN(c2ccc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc2)CC1 ZINC000296126990 455869497 /nfs/dbraw/zinc/86/94/97/455869497.db2.gz WJCFKBMCDRZJGB-IBGZPJMESA-N 2 1 345.531 3.218 20 10 EGCDMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273439670 456231436 /nfs/dbraw/zinc/23/14/36/456231436.db2.gz YBXYLYNDZKOXSJ-CABCVRRESA-N 2 1 336.476 3.340 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000378371885 457393454 /nfs/dbraw/zinc/39/34/54/457393454.db2.gz QHHMQJLILVDUHI-QHAWAJNXSA-N 2 1 345.531 3.216 20 10 EGCDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000093769464 1292931739 /nfs/dbraw/zinc/93/17/39/1292931739.db2.gz HBFPUVNHHCAIOI-UHFFFAOYSA-N 2 1 334.504 3.271 20 10 EGCDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000129295751 1293620714 /nfs/dbraw/zinc/62/07/14/1293620714.db2.gz AXPKSFXZFHTHPQ-YOEHRIQHSA-N 2 1 332.488 3.311 20 10 EGCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000129295751 1293620718 /nfs/dbraw/zinc/62/07/18/1293620718.db2.gz AXPKSFXZFHTHPQ-YOEHRIQHSA-N 2 1 332.488 3.311 20 10 EGCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000129295751 1293620722 /nfs/dbraw/zinc/62/07/22/1293620722.db2.gz AXPKSFXZFHTHPQ-YOEHRIQHSA-N 2 1 332.488 3.311 20 10 EGCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)cc(O)c3O)CC[C@H]21 ZINC000247250828 1296387618 /nfs/dbraw/zinc/38/76/18/1296387618.db2.gz ZRVYIBWHNMCVRX-WMLDXEAASA-N 2 1 332.488 3.311 20 10 EGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000766027902 1302371786 /nfs/dbraw/zinc/37/17/86/1302371786.db2.gz AFQATQFDLCJTLM-RXVVDRJESA-N 2 1 347.547 3.288 20 10 EGCDMP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1c(O)cccc1F ZINC000886636706 1303534250 /nfs/dbraw/zinc/53/42/50/1303534250.db2.gz SPRLPGWHIWLLCA-HNNXBMFYSA-N 2 1 343.446 3.489 20 10 EGCDMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000775258295 1303930535 /nfs/dbraw/zinc/93/05/35/1303930535.db2.gz WNFHNMGTSULNJQ-IEBWSBKVSA-N 2 1 331.504 3.048 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]2CCCC[C@@H]21 ZINC000783592535 1305113753 /nfs/dbraw/zinc/11/37/53/1305113753.db2.gz IPDWSQIZXRFLFP-DUXKGJEZSA-N 2 1 327.516 3.449 20 10 EGCDMP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc(OCc3ccccc3)cc1O)C2 ZINC000857226256 1328525060 /nfs/dbraw/zinc/52/50/60/1328525060.db2.gz JGOPFFBCXOEEEH-GHTZIAJQSA-N 2 1 338.451 3.284 20 10 EGCDMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(OCc3ccccc3)cc1O)C2 ZINC000857226256 1328525061 /nfs/dbraw/zinc/52/50/61/1328525061.db2.gz JGOPFFBCXOEEEH-GHTZIAJQSA-N 2 1 338.451 3.284 20 10 EGCDMP CSC1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC[NH+](C)CC1 ZINC000810170501 1317967682 /nfs/dbraw/zinc/96/76/82/1317967682.db2.gz LTQFYGQLFCVCED-UHFFFAOYSA-N 2 1 332.872 3.102 20 10 EGCDMP Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1O ZINC000817960354 1319477955 /nfs/dbraw/zinc/47/79/55/1319477955.db2.gz YEQFUMLLUJBISM-AAEUAGOBSA-N 2 1 329.282 3.487 20 10 EGCDMP Cc1cc(N(C)C)ccc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000840935130 1321181042 /nfs/dbraw/zinc/18/10/42/1321181042.db2.gz GENJLPKEBMHHCS-UHFFFAOYSA-N 2 1 333.520 3.040 20 10 EGCDMP CCC[N@H+](Cc1ccccc1O)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000842472276 1321392537 /nfs/dbraw/zinc/39/25/37/1321392537.db2.gz VVHGZDFKPXRWBW-SFHVURJKSA-N 2 1 328.456 3.355 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1O ZINC000843059267 1321463710 /nfs/dbraw/zinc/46/37/10/1321463710.db2.gz ITIJWUUBPHLNQM-GLQYFDAESA-N 2 1 339.277 3.022 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000843127687 1321473928 /nfs/dbraw/zinc/47/39/28/1321473928.db2.gz GDVCNTXMPJITQP-UHFFFAOYSA-N 2 1 335.245 3.212 20 10 EGCDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000863646936 1329570266 /nfs/dbraw/zinc/57/02/66/1329570266.db2.gz SDEAGKIADIXDAH-DOTOQJQBSA-N 2 1 343.437 3.492 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000863646936 1329570267 /nfs/dbraw/zinc/57/02/67/1329570267.db2.gz SDEAGKIADIXDAH-DOTOQJQBSA-N 2 1 343.437 3.492 20 10 EGCDMP Oc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001204277620 1370429768 /nfs/dbraw/zinc/42/97/68/1370429768.db2.gz HBECIAFSNHHAQL-IEBWSBKVSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001204277620 1370429772 /nfs/dbraw/zinc/42/97/72/1370429772.db2.gz HBECIAFSNHHAQL-IEBWSBKVSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001204277620 1370429775 /nfs/dbraw/zinc/42/97/75/1370429775.db2.gz HBECIAFSNHHAQL-IEBWSBKVSA-N 2 1 338.451 3.052 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001204735013 1370558973 /nfs/dbraw/zinc/55/89/73/1370558973.db2.gz JASMYTNQUBSUBA-UHFFFAOYSA-N 2 1 331.504 3.204 20 10 EGCDMP C[C@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C[C@H]1C[NH3+] ZINC001205146415 1370663719 /nfs/dbraw/zinc/66/37/19/1370663719.db2.gz VKBXJWLVDDJPEO-WCQYABFASA-N 2 1 349.272 3.335 20 10 EGCDMP CCOC(=O)c1c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c2ccccc2n1C ZINC001205288707 1370708490 /nfs/dbraw/zinc/70/84/90/1370708490.db2.gz NPWMDOXNJXMUSK-FQEVSTJZSA-N 2 1 343.471 3.058 20 10 EGCDMP C[C@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CCC[C@H]1C[NH3+] ZINC001206026276 1370942609 /nfs/dbraw/zinc/94/26/09/1370942609.db2.gz RGEJXZCBXNPROD-RYUDHWBXSA-N 2 1 332.366 3.098 20 10 EGCDMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001206351837 1371029311 /nfs/dbraw/zinc/02/93/11/1371029311.db2.gz JSCNCDRLXUMXQU-FQEVSTJZSA-N 2 1 331.479 3.038 20 10 EGCDMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001206351837 1371029318 /nfs/dbraw/zinc/02/93/18/1371029318.db2.gz JSCNCDRLXUMXQU-FQEVSTJZSA-N 2 1 331.479 3.038 20 10 EGCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235027167 1376829984 /nfs/dbraw/zinc/82/99/84/1376829984.db2.gz VXKNPLMQWSODLP-UHFFFAOYSA-N 2 1 347.256 3.103 20 10 EGCDMP COc1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc(C[NH+](C)C)c1O ZINC001139257233 1377858382 /nfs/dbraw/zinc/85/83/82/1377858382.db2.gz VGBZKKYXJGOQLA-CQSZACIVSA-N 2 1 346.393 3.237 20 10 EGCDMP COc1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc(C[NH+](C)C)c1O ZINC001139257233 1377858386 /nfs/dbraw/zinc/85/83/86/1377858386.db2.gz VGBZKKYXJGOQLA-CQSZACIVSA-N 2 1 346.393 3.237 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4[C@H](CCC4(F)F)C3)cc2)CC1 ZINC001140302342 1378042835 /nfs/dbraw/zinc/04/28/35/1378042835.db2.gz OTLFZDLMHZDOOK-MJGOQNOKSA-N 2 1 349.469 3.306 20 10 EGCDMP C[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)CC1CC[NH+](C)CC1 ZINC001141076391 1378232837 /nfs/dbraw/zinc/23/28/37/1378232837.db2.gz QJIHZPNBUNNJDX-UHFFFAOYSA-N 2 1 327.516 3.159 20 10 EGCDMP COC(=[NH2+])c1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001167437337 1383633924 /nfs/dbraw/zinc/63/39/24/1383633924.db2.gz RBYXQQYCLAPCTO-UHFFFAOYSA-N 2 1 338.455 3.022 20 10 EGCDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273363787 456225585 /nfs/dbraw/zinc/22/55/85/456225585.db2.gz DPQGBLHVCSETTH-NSHDSACASA-N 2 1 338.249 3.401 20 10 EGCDMP Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000184894132 455469168 /nfs/dbraw/zinc/46/91/68/455469168.db2.gz QMCOWNOMFQDOAG-KRWDZBQOSA-N 2 1 340.467 3.384 20 10 EGCDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2c(cc1O)CCCC2 ZINC000185414822 455556255 /nfs/dbraw/zinc/55/62/55/455556255.db2.gz VUIYQIXDEHDMLE-QFBILLFUSA-N 2 1 346.515 3.159 20 10 EGCDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2c(cc1O)CCCC2 ZINC000185414840 455556454 /nfs/dbraw/zinc/55/64/54/455556454.db2.gz VUIYQIXDEHDMLE-VQIMIIECSA-N 2 1 346.515 3.159 20 10 EGCDMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)[C@H](C)C1 ZINC000185461551 455560874 /nfs/dbraw/zinc/56/08/74/455560874.db2.gz LNKFWFLDPVSPGG-RVKKMQEKSA-N 2 1 338.467 3.319 20 10 EGCDMP COCC[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000263651921 456182638 /nfs/dbraw/zinc/18/26/38/456182638.db2.gz DKPGAUYFUIMWNJ-UHFFFAOYSA-N 2 1 340.467 3.260 20 10 EGCDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000283690443 456824533 /nfs/dbraw/zinc/82/45/33/456824533.db2.gz ADMYLCOQOXOYIL-GOSISDBHSA-N 2 1 333.520 3.077 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000756762578 1300562319 /nfs/dbraw/zinc/56/23/19/1300562319.db2.gz UTDXSGDBTMTCLD-HOTGVXAUSA-N 2 1 348.487 3.197 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000756762578 1300562324 /nfs/dbraw/zinc/56/23/24/1300562324.db2.gz UTDXSGDBTMTCLD-HOTGVXAUSA-N 2 1 348.487 3.197 20 10 EGCDMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1cc(Br)ccc1O ZINC000769483127 1303122524 /nfs/dbraw/zinc/12/25/24/1303122524.db2.gz MHQYPDXHFFXSHB-OAHLLOKOSA-N 2 1 341.293 3.461 20 10 EGCDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(Br)ccc1O ZINC000769483127 1303122528 /nfs/dbraw/zinc/12/25/28/1303122528.db2.gz MHQYPDXHFFXSHB-OAHLLOKOSA-N 2 1 341.293 3.461 20 10 EGCDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(Br)ccc1O ZINC000769483127 1303122532 /nfs/dbraw/zinc/12/25/32/1303122532.db2.gz MHQYPDXHFFXSHB-OAHLLOKOSA-N 2 1 341.293 3.461 20 10 EGCDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc(Br)ccc1O ZINC000769483127 1303122533 /nfs/dbraw/zinc/12/25/33/1303122533.db2.gz MHQYPDXHFFXSHB-OAHLLOKOSA-N 2 1 341.293 3.461 20 10 EGCDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc(Br)ccc1O ZINC000769483127 1303122536 /nfs/dbraw/zinc/12/25/36/1303122536.db2.gz MHQYPDXHFFXSHB-OAHLLOKOSA-N 2 1 341.293 3.461 20 10 EGCDMP Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775644140 1304001854 /nfs/dbraw/zinc/00/18/54/1304001854.db2.gz CPMNFIDVZRYBMK-OAQYLSRUSA-N 2 1 338.499 3.114 20 10 EGCDMP CS[C@@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775741251 1304026927 /nfs/dbraw/zinc/02/69/27/1304026927.db2.gz QSXKKMIMMODGIB-LJQANCHMSA-N 2 1 333.545 3.156 20 10 EGCDMP COc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c(O)c1OC ZINC000892585948 1305453240 /nfs/dbraw/zinc/45/32/40/1305453240.db2.gz YZCVLVGFOIQDLL-OAHLLOKOSA-N 2 1 336.476 3.154 20 10 EGCDMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000792914731 1309258429 /nfs/dbraw/zinc/25/84/29/1309258429.db2.gz DXSFSKDFXGCAJB-IRXDYDNUSA-N 2 1 341.421 3.488 20 10 EGCDMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000792914731 1309258438 /nfs/dbraw/zinc/25/84/38/1309258438.db2.gz DXSFSKDFXGCAJB-IRXDYDNUSA-N 2 1 341.421 3.488 20 10 EGCDMP CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000858196188 1328709699 /nfs/dbraw/zinc/70/96/99/1328709699.db2.gz JETNYWUOEQPEKA-OAHLLOKOSA-N 2 1 337.458 3.242 20 10 EGCDMP CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000858196188 1328709704 /nfs/dbraw/zinc/70/97/04/1328709704.db2.gz JETNYWUOEQPEKA-OAHLLOKOSA-N 2 1 337.458 3.242 20 10 EGCDMP Cc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(O)c1 ZINC000815579963 1319020353 /nfs/dbraw/zinc/02/03/53/1319020353.db2.gz ZQNFLOWTWQNGAA-FUHWJXTLSA-N 2 1 332.488 3.303 20 10 EGCDMP CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1O ZINC000859213960 1328948455 /nfs/dbraw/zinc/94/84/55/1328948455.db2.gz CIFIYWFDUOSUEO-UHFFFAOYSA-N 2 1 344.430 3.428 20 10 EGCDMP CC(=O)c1cc(F)cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1O ZINC000859213960 1328948457 /nfs/dbraw/zinc/94/84/57/1328948457.db2.gz CIFIYWFDUOSUEO-UHFFFAOYSA-N 2 1 344.430 3.428 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1O ZINC000843123799 1321473118 /nfs/dbraw/zinc/47/31/18/1321473118.db2.gz PQKGLTBBOAWMJJ-AWEZNQCLSA-N 2 1 327.266 3.166 20 10 EGCDMP CCOCc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC ZINC000853093110 1323277341 /nfs/dbraw/zinc/27/73/41/1323277341.db2.gz CHLCCMPXTHVLOD-IBGZPJMESA-N 2 1 346.515 3.443 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1O ZINC001205913480 1370908098 /nfs/dbraw/zinc/90/80/98/1370908098.db2.gz ILJGWCODTRVGRC-NWDGAFQWSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(O)cc1Br ZINC001205604305 1370808103 /nfs/dbraw/zinc/80/81/03/1370808103.db2.gz UTCCIFNXWDVTAR-HNNXBMFYSA-N 2 1 345.256 3.116 20 10 EGCDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1Br ZINC001205652390 1370829350 /nfs/dbraw/zinc/82/93/50/1370829350.db2.gz PJEZJDZQQAGDAW-DGCLKSJQSA-N 2 1 341.293 3.270 20 10 EGCDMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(O)cc1Br ZINC001205666063 1370835035 /nfs/dbraw/zinc/83/50/35/1370835035.db2.gz ZGYPKMKKSMADIN-DGCLKSJQSA-N 2 1 341.293 3.270 20 10 EGCDMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(O)cc1Br ZINC001205923170 1370912458 /nfs/dbraw/zinc/91/24/58/1370912458.db2.gz KALOVCYLRDDALM-NEPJUHHUSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(O)cc1Br ZINC001205923170 1370912461 /nfs/dbraw/zinc/91/24/61/1370912461.db2.gz KALOVCYLRDDALM-NEPJUHHUSA-N 2 1 327.266 3.022 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CCC[C@H]1C[NH3+] ZINC001206027698 1370942181 /nfs/dbraw/zinc/94/21/81/1370942181.db2.gz WQPORWVVVSQISG-NEPJUHHUSA-N 2 1 332.366 3.098 20 10 EGCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001206304477 1371015890 /nfs/dbraw/zinc/01/58/90/1371015890.db2.gz LHUMFLWAUVNABH-NRFANRHFSA-N 2 1 343.515 3.042 20 10 EGCDMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(O)cc1Br ZINC001206809404 1371176089 /nfs/dbraw/zinc/17/60/89/1371176089.db2.gz LPMUYZNJKSIWJC-RYUDHWBXSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(O)cc1Br ZINC001206809404 1371176091 /nfs/dbraw/zinc/17/60/91/1371176091.db2.gz LPMUYZNJKSIWJC-RYUDHWBXSA-N 2 1 327.266 3.022 20 10 EGCDMP COc1ccc2c(c1)c1c(n2C)CC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207485648 1371411196 /nfs/dbraw/zinc/41/11/96/1371411196.db2.gz ZGIJVXGZDYNUOW-UHFFFAOYSA-N 2 1 341.499 3.277 20 10 EGCDMP Oc1ccc(F)c(Cl)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427601 1376870376 /nfs/dbraw/zinc/87/03/76/1376870376.db2.gz NPRPOXGZYDCQFI-STQMWFEESA-N 2 1 326.843 3.396 20 10 EGCDMP COc1cc(C[N@H+](Cc2ccco2)C2CC2)cc(C[NH+](C)C)c1O ZINC001139259200 1377858010 /nfs/dbraw/zinc/85/80/10/1377858010.db2.gz MPOSYLAGIGQBGR-UHFFFAOYSA-N 2 1 330.428 3.220 20 10 EGCDMP COc1cc(C[N@@H+](Cc2ccco2)C2CC2)cc(C[NH+](C)C)c1O ZINC001139259200 1377858011 /nfs/dbraw/zinc/85/80/11/1377858011.db2.gz MPOSYLAGIGQBGR-UHFFFAOYSA-N 2 1 330.428 3.220 20 10 EGCDMP c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001327804422 1388598080 /nfs/dbraw/zinc/59/80/80/1388598080.db2.gz SSGHWAOVFNKLLA-FQEVSTJZSA-N 2 1 327.516 3.498 20 10 EGCDMP COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168324197 1383873124 /nfs/dbraw/zinc/87/31/24/1383873124.db2.gz JSKLKTBQUNKHEL-UHFFFAOYSA-N 2 1 341.499 3.418 20 10 EGCDMP C[N@H+](CCc1cccs1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320508749 1386632871 /nfs/dbraw/zinc/63/28/71/1386632871.db2.gz HVDCZXUXUPZPJE-UHFFFAOYSA-N 2 1 347.503 3.314 20 10 EGCDMP C[N@@H+](CCc1cccs1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320508749 1386632874 /nfs/dbraw/zinc/63/28/74/1386632874.db2.gz HVDCZXUXUPZPJE-UHFFFAOYSA-N 2 1 347.503 3.314 20 10 EGCDMP CCOc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000092066522 454511672 /nfs/dbraw/zinc/51/16/72/454511672.db2.gz CECAYSRYVVMZEW-QAPCUYQASA-N 2 1 330.472 3.240 20 10 EGCDMP CCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000092066522 454511678 /nfs/dbraw/zinc/51/16/78/454511678.db2.gz CECAYSRYVVMZEW-QAPCUYQASA-N 2 1 330.472 3.240 20 10 EGCDMP CCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000092066522 454511683 /nfs/dbraw/zinc/51/16/83/454511683.db2.gz CECAYSRYVVMZEW-QAPCUYQASA-N 2 1 330.472 3.240 20 10 EGCDMP CN(Cc1ccccc1O)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278558643 455839949 /nfs/dbraw/zinc/83/99/49/455839949.db2.gz IDWACTHBTZLGFR-FQEVSTJZSA-N 2 1 340.467 3.115 20 10 EGCDMP CN(Cc1ccccc1O)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278558643 455839954 /nfs/dbraw/zinc/83/99/54/455839954.db2.gz IDWACTHBTZLGFR-FQEVSTJZSA-N 2 1 340.467 3.115 20 10 EGCDMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Br)cc3O)CC[C@H]21 ZINC000691681813 1298136465 /nfs/dbraw/zinc/13/64/65/1298136465.db2.gz YNKLEKPQSLQXPI-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Br)cc3O)CC[C@H]21 ZINC000691681813 1298136472 /nfs/dbraw/zinc/13/64/72/1298136472.db2.gz YNKLEKPQSLQXPI-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Br)cc3O)CC[C@H]21 ZINC000691681813 1298136476 /nfs/dbraw/zinc/13/64/76/1298136476.db2.gz YNKLEKPQSLQXPI-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)cc3O)CC[C@H]21 ZINC000691681813 1298136483 /nfs/dbraw/zinc/13/64/83/1298136483.db2.gz YNKLEKPQSLQXPI-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1O ZINC000827951344 1292412066 /nfs/dbraw/zinc/41/20/66/1292412066.db2.gz XUUXFHJJMXLGQN-CQSZACIVSA-N 2 1 338.879 3.266 20 10 EGCDMP COc1cc(C)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000246991244 1296378967 /nfs/dbraw/zinc/37/89/67/1296378967.db2.gz TZIAUTBKDRNUAE-MAUKXSAKSA-N 2 1 330.472 3.158 20 10 EGCDMP COc1cc(C)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000246991244 1296378976 /nfs/dbraw/zinc/37/89/76/1296378976.db2.gz TZIAUTBKDRNUAE-MAUKXSAKSA-N 2 1 330.472 3.158 20 10 EGCDMP COc1cc(C)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000246991244 1296378987 /nfs/dbraw/zinc/37/89/87/1296378987.db2.gz TZIAUTBKDRNUAE-MAUKXSAKSA-N 2 1 330.472 3.158 20 10 EGCDMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000762555406 1301702043 /nfs/dbraw/zinc/70/20/43/1301702043.db2.gz IUILUHSYYARENK-NRFANRHFSA-N 2 1 348.531 3.143 20 10 EGCDMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000762555406 1301702048 /nfs/dbraw/zinc/70/20/48/1301702048.db2.gz IUILUHSYYARENK-NRFANRHFSA-N 2 1 348.531 3.143 20 10 EGCDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc4c(cc3O)CCCC4)C2)CC1 ZINC000768465029 1302913274 /nfs/dbraw/zinc/91/32/74/1302913274.db2.gz KAXVCPWIZAIHHD-IBGZPJMESA-N 2 1 328.500 3.435 20 10 EGCDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000768927721 1303015821 /nfs/dbraw/zinc/01/58/21/1303015821.db2.gz VOWZZUQIFMVPTG-UHFFFAOYSA-N 2 1 345.531 3.075 20 10 EGCDMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1c(O)cccc1F ZINC000886610665 1303522427 /nfs/dbraw/zinc/52/24/27/1303522427.db2.gz GXXYSTXENMBYHE-AWEZNQCLSA-N 2 1 347.434 3.108 20 10 EGCDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC[N@H+]1C ZINC000793003798 1309279192 /nfs/dbraw/zinc/27/91/92/1309279192.db2.gz ZZEFDVXSIPXPFD-GXTWGEPZSA-N 2 1 329.410 3.344 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000843048623 1321461383 /nfs/dbraw/zinc/46/13/83/1321461383.db2.gz LQBANEXDIXUORD-LLVKDONJSA-N 2 1 327.266 3.022 20 10 EGCDMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843053202 1321461686 /nfs/dbraw/zinc/46/16/86/1321461686.db2.gz YZWJULSYCOSYFW-STQMWFEESA-N 2 1 329.410 3.331 20 10 EGCDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843053202 1321461692 /nfs/dbraw/zinc/46/16/92/1321461692.db2.gz YZWJULSYCOSYFW-STQMWFEESA-N 2 1 329.410 3.331 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000843059511 1321464333 /nfs/dbraw/zinc/46/43/33/1321464333.db2.gz NOMSNVMKQIREFR-NJZAAPMLSA-N 2 1 339.277 3.022 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000843059511 1321464336 /nfs/dbraw/zinc/46/43/36/1321464336.db2.gz NOMSNVMKQIREFR-NJZAAPMLSA-N 2 1 339.277 3.022 20 10 EGCDMP Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843126757 1321473968 /nfs/dbraw/zinc/47/39/68/1321473968.db2.gz MQZFEGGUTLTTMN-PXNSSMCTSA-N 2 1 338.451 3.155 20 10 EGCDMP COc1cccc(O)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000865661596 1329726400 /nfs/dbraw/zinc/72/64/00/1329726400.db2.gz UQJCJRYYQDTEDB-FUHWJXTLSA-N 2 1 340.467 3.259 20 10 EGCDMP Oc1ccc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1O ZINC001203883017 1370298578 /nfs/dbraw/zinc/29/85/78/1370298578.db2.gz ZTCIUYZLXYSAFT-NRFANRHFSA-N 2 1 338.451 3.196 20 10 EGCDMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC001204270021 1370428395 /nfs/dbraw/zinc/42/83/95/1370428395.db2.gz NITLWEODPSUNBB-UHFFFAOYSA-N 2 1 328.456 3.355 20 10 EGCDMP Oc1c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cccc1C(F)(F)F ZINC001204741929 1370561785 /nfs/dbraw/zinc/56/17/85/1370561785.db2.gz FVRGASXZHYKUNE-UHFFFAOYSA-N 2 1 328.378 3.377 20 10 EGCDMP Oc1c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cccc1C(F)(F)F ZINC001204741929 1370561789 /nfs/dbraw/zinc/56/17/89/1370561789.db2.gz FVRGASXZHYKUNE-UHFFFAOYSA-N 2 1 328.378 3.377 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)c2c1 ZINC001205580362 1370798378 /nfs/dbraw/zinc/79/83/78/1370798378.db2.gz SPOIOILFVBUZCX-LJQANCHMSA-N 2 1 332.419 3.207 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Br ZINC001205591366 1370802814 /nfs/dbraw/zinc/80/28/14/1370802814.db2.gz LBCBMXVWBONJNG-HNNXBMFYSA-N 2 1 345.256 3.116 20 10 EGCDMP CC1(C)C=Cc2c(O)c(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)ccc2O1 ZINC001205592781 1370803837 /nfs/dbraw/zinc/80/38/37/1370803837.db2.gz YFVHMWHINIJFAZ-IBGZPJMESA-N 2 1 334.435 3.229 20 10 EGCDMP [NH3+][C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[C@@H]1F ZINC001206197902 1370990710 /nfs/dbraw/zinc/99/07/10/1370990710.db2.gz KGGCLNQDTXBBJC-ROUUACIJSA-N 2 1 332.394 3.460 20 10 EGCDMP CCOc1ccc(N2CC[NH+](CC3(C[NH+](C)C)CCCC3)CC2)cc1 ZINC001208186914 1371627912 /nfs/dbraw/zinc/62/79/12/1371627912.db2.gz AKZLZHAIAXXNNL-UHFFFAOYSA-N 2 1 345.531 3.329 20 10 EGCDMP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]2C1 ZINC001233776426 1376714647 /nfs/dbraw/zinc/71/46/47/1376714647.db2.gz SAFBGAZWYSJXBB-KBPBESRZSA-N 2 1 344.377 3.064 20 10 EGCDMP Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038188 1376837059 /nfs/dbraw/zinc/83/70/59/1376837059.db2.gz DNLYKESQHAIOJK-INIZCTEOSA-N 2 1 339.277 3.263 20 10 EGCDMP Oc1ccc(Br)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038188 1376837080 /nfs/dbraw/zinc/83/70/80/1376837080.db2.gz DNLYKESQHAIOJK-INIZCTEOSA-N 2 1 339.277 3.263 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(O)c1 ZINC001235047183 1376842549 /nfs/dbraw/zinc/84/25/49/1376842549.db2.gz STANCDXIFWSPJW-FQEVSTJZSA-N 2 1 331.504 3.347 20 10 EGCDMP Cc1ccc(C)c(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1O ZINC001140181202 1378027365 /nfs/dbraw/zinc/02/73/65/1378027365.db2.gz PTZRBYASXATIHR-NRFANRHFSA-N 2 1 346.515 3.332 20 10 EGCDMP Cc1ccc(C)c(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1O ZINC001140181202 1378027370 /nfs/dbraw/zinc/02/73/70/1378027370.db2.gz PTZRBYASXATIHR-NRFANRHFSA-N 2 1 346.515 3.332 20 10 EGCDMP Cc1ccc(C)c(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1O ZINC001140181202 1378027374 /nfs/dbraw/zinc/02/73/74/1378027374.db2.gz PTZRBYASXATIHR-NRFANRHFSA-N 2 1 346.515 3.332 20 10 EGCDMP Cc1ccc(C)c(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1O ZINC001140181202 1378027379 /nfs/dbraw/zinc/02/73/79/1378027379.db2.gz PTZRBYASXATIHR-NRFANRHFSA-N 2 1 346.515 3.332 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(F)[C@@H](F)C3)cc2)CC1 ZINC001140302657 1378042805 /nfs/dbraw/zinc/04/28/05/1378042805.db2.gz WZBKEOUNNKQABZ-RBUKOAKNSA-N 2 1 337.458 3.101 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(F)[C@@H](F)C3)cc2)CC1 ZINC001140302657 1378042806 /nfs/dbraw/zinc/04/28/06/1378042806.db2.gz WZBKEOUNNKQABZ-RBUKOAKNSA-N 2 1 337.458 3.101 20 10 EGCDMP Oc1cccc(Cl)c1C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001140339074 1378049421 /nfs/dbraw/zinc/04/94/21/1378049421.db2.gz FAJKKESMYLILHC-GASCZTMLSA-N 2 1 343.858 3.004 20 10 EGCDMP C[C@@H]1CC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](C)C1 ZINC001318652739 1385816853 /nfs/dbraw/zinc/81/68/53/1385816853.db2.gz XSMKZYUWGICTBS-HOTGVXAUSA-N 2 1 333.495 3.492 20 10 EGCDMP CC[N@H+](Cc1ccoc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337026201 1389239726 /nfs/dbraw/zinc/23/97/26/1389239726.db2.gz PTWPZIDFKWUECY-UHFFFAOYSA-N 2 1 331.435 3.193 20 10 EGCDMP CC[N@@H+](Cc1ccoc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337026201 1389239731 /nfs/dbraw/zinc/23/97/31/1389239731.db2.gz PTWPZIDFKWUECY-UHFFFAOYSA-N 2 1 331.435 3.193 20 10 EGCDMP COc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1O ZINC000092587771 454591323 /nfs/dbraw/zinc/59/13/23/454591323.db2.gz VILGHWHFHDXKER-KRWDZBQOSA-N 2 1 332.488 3.345 20 10 EGCDMP C[N@H+]1CCC[C@@H]2CN(Cc3cc(Br)ccc3O)CC[C@@H]21 ZINC000156094398 455081072 /nfs/dbraw/zinc/08/10/72/455081072.db2.gz TUYPNQAMPWNAKI-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Br)ccc3O)CC[C@@H]21 ZINC000156094398 455081077 /nfs/dbraw/zinc/08/10/77/455081077.db2.gz TUYPNQAMPWNAKI-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Br)ccc3O)CC[C@@H]21 ZINC000156094398 455081081 /nfs/dbraw/zinc/08/10/81/455081081.db2.gz TUYPNQAMPWNAKI-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280984511 456100902 /nfs/dbraw/zinc/10/09/02/456100902.db2.gz UQJUHKUISWETLC-UHFFFAOYSA-N 2 1 326.366 3.066 20 10 EGCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Br)ccc1O ZINC000363861412 457455692 /nfs/dbraw/zinc/45/56/92/457455692.db2.gz WPEUQTMRYXWLNT-IACUBPJLSA-N 2 1 339.277 3.432 20 10 EGCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)cc(O)c3O)CC[C@@H]21 ZINC000247250844 1296387306 /nfs/dbraw/zinc/38/73/06/1296387306.db2.gz ZRVYIBWHNMCVRX-YOEHRIQHSA-N 2 1 332.488 3.311 20 10 EGCDMP COc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1O ZINC000708548865 1298241739 /nfs/dbraw/zinc/24/17/39/1298241739.db2.gz BUKWYEBFERMKPH-VQIMIIECSA-N 2 1 340.467 3.259 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000756420113 1300487167 /nfs/dbraw/zinc/48/71/67/1300487167.db2.gz HCPYHUWXGKUYJY-XHSDSOJGSA-N 2 1 348.487 3.197 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000756420113 1300487168 /nfs/dbraw/zinc/48/71/68/1300487168.db2.gz HCPYHUWXGKUYJY-XHSDSOJGSA-N 2 1 348.487 3.197 20 10 EGCDMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(O)c1C ZINC000756573575 1300524366 /nfs/dbraw/zinc/52/43/66/1300524366.db2.gz LAMWQBZUYBMHFK-AEFFLSMTSA-N 2 1 332.488 3.303 20 10 EGCDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Br)ccc1O ZINC000760841976 1301348521 /nfs/dbraw/zinc/34/85/21/1301348521.db2.gz UGRKTOGFRAPIRT-UHFFFAOYSA-N 2 1 341.293 3.463 20 10 EGCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000762076211 1301608099 /nfs/dbraw/zinc/60/80/99/1301608099.db2.gz UFFWURXNBPYFMF-UHFFFAOYSA-N 2 1 331.460 3.380 20 10 EGCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(OC)c(C)cc1O ZINC000762076211 1301608107 /nfs/dbraw/zinc/60/81/07/1301608107.db2.gz UFFWURXNBPYFMF-UHFFFAOYSA-N 2 1 331.460 3.380 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3csc(C4CC4)n3)cc2)CC1 ZINC000883283481 1302359486 /nfs/dbraw/zinc/35/94/86/1302359486.db2.gz HLRDLCGMZPPZEB-UHFFFAOYSA-N 2 1 342.512 3.062 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](c4ccco4)C3)cc2)CC1 ZINC000775693335 1304016684 /nfs/dbraw/zinc/01/66/84/1304016684.db2.gz ZHRUFWKKAOJCRB-SFHVURJKSA-N 2 1 325.456 3.021 20 10 EGCDMP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1(C)C ZINC000775716420 1304019022 /nfs/dbraw/zinc/01/90/22/1304019022.db2.gz WRWIMABFOSQAPG-VQTJNVASSA-N 2 1 345.531 3.074 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]2CCCC[C@H]21 ZINC000783592536 1305113505 /nfs/dbraw/zinc/11/35/05/1305113505.db2.gz IPDWSQIZXRFLFP-JRGCBEDISA-N 2 1 327.516 3.449 20 10 EGCDMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000792914725 1309258590 /nfs/dbraw/zinc/25/85/90/1309258590.db2.gz DXSFSKDFXGCAJB-DLBZAZTESA-N 2 1 341.421 3.488 20 10 EGCDMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000792914725 1309258596 /nfs/dbraw/zinc/25/85/96/1309258596.db2.gz DXSFSKDFXGCAJB-DLBZAZTESA-N 2 1 341.421 3.488 20 10 EGCDMP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000793206373 1309317467 /nfs/dbraw/zinc/31/74/67/1309317467.db2.gz GRNZNFMPZJVIAQ-SFHVURJKSA-N 2 1 340.467 3.403 20 10 EGCDMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000817890873 1319453367 /nfs/dbraw/zinc/45/33/67/1319453367.db2.gz ATTAFCCPJARZEH-RVHYNSKXSA-N 2 1 337.467 3.319 20 10 EGCDMP Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1O ZINC000817960361 1319478622 /nfs/dbraw/zinc/47/86/22/1319478622.db2.gz YEQFUMLLUJBISM-YPMHNXCESA-N 2 1 329.282 3.487 20 10 EGCDMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000840807522 1321152853 /nfs/dbraw/zinc/15/28/53/1321152853.db2.gz CPJJNCMUJFWOSA-IAGOWNOFSA-N 2 1 349.494 3.045 20 10 EGCDMP CC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000843051347 1321462299 /nfs/dbraw/zinc/46/22/99/1321462299.db2.gz WXBRFPSZADHZOR-BLLLJJGKSA-N 2 1 329.410 3.331 20 10 EGCDMP CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000843051347 1321462301 /nfs/dbraw/zinc/46/23/01/1321462301.db2.gz WXBRFPSZADHZOR-BLLLJJGKSA-N 2 1 329.410 3.331 20 10 EGCDMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c(C(C)(C)C)c1 ZINC000850315151 1322226521 /nfs/dbraw/zinc/22/65/21/1322226521.db2.gz OZKQXBKOEADQEG-MQVJKMGUSA-N 2 1 332.488 3.413 20 10 EGCDMP Oc1cccc(Br)c1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189605 1376856627 /nfs/dbraw/zinc/85/66/27/1376856627.db2.gz NJSZWEIOVOYFGV-UHFFFAOYSA-N 2 1 339.277 3.263 20 10 EGCDMP C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323844448 1387471767 /nfs/dbraw/zinc/47/17/67/1387471767.db2.gz KBJLZPNZPTUFPB-INIZCTEOSA-N 2 1 342.462 3.166 20 10 EGCDMP C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323844448 1387471768 /nfs/dbraw/zinc/47/17/68/1387471768.db2.gz KBJLZPNZPTUFPB-INIZCTEOSA-N 2 1 342.462 3.166 20 10 EGCDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)CC1 ZINC001325733489 1388036372 /nfs/dbraw/zinc/03/63/72/1388036372.db2.gz LHEUSZKLGQJAMW-FQEVSTJZSA-N 2 1 327.516 3.451 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)c2c1 ZINC001205638482 1370823425 /nfs/dbraw/zinc/82/34/25/1370823425.db2.gz OLOHPMZHUXYQNZ-HOCLYGCPSA-N 2 1 328.456 3.361 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC[C@H]1C[NH3+] ZINC001206003465 1370935626 /nfs/dbraw/zinc/93/56/26/1370935626.db2.gz IHENVTNLAGFTDI-UZLBHIALSA-N 2 1 327.516 3.192 20 10 EGCDMP Oc1cccc(Br)c1C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189605 1376856624 /nfs/dbraw/zinc/85/66/24/1376856624.db2.gz NJSZWEIOVOYFGV-UHFFFAOYSA-N 2 1 339.277 3.263 20 10 EGCDMP Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235943894 1376919753 /nfs/dbraw/zinc/91/97/53/1376919753.db2.gz ZSIFTAQBXFRTFP-SJLPKXTDSA-N 2 1 326.415 3.240 20 10 EGCDMP COc1cc(C[N@@H+](C)CCc2cccc(C)c2)cc(C[NH+](C)C)c1O ZINC001139257672 1377858675 /nfs/dbraw/zinc/85/86/75/1377858675.db2.gz FLWNOWDZDZBCBV-UHFFFAOYSA-N 2 1 342.483 3.445 20 10 EGCDMP Oc1ccc(F)cc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001140060273 1377998611 /nfs/dbraw/zinc/99/86/11/1377998611.db2.gz SUVYUWQWLFOQGJ-HKUYNNGSSA-N 2 1 340.442 3.485 20 10 EGCDMP Oc1ccc(F)cc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001140060273 1377998612 /nfs/dbraw/zinc/99/86/12/1377998612.db2.gz SUVYUWQWLFOQGJ-HKUYNNGSSA-N 2 1 340.442 3.485 20 10 EGCDMP Oc1ccc(F)cc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001140060273 1377998613 /nfs/dbraw/zinc/99/86/13/1377998613.db2.gz SUVYUWQWLFOQGJ-HKUYNNGSSA-N 2 1 340.442 3.485 20 10 EGCDMP Oc1ccc(F)cc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001140060273 1377998614 /nfs/dbraw/zinc/99/86/14/1377998614.db2.gz SUVYUWQWLFOQGJ-HKUYNNGSSA-N 2 1 340.442 3.485 20 10 EGCDMP C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318338663 1385654361 /nfs/dbraw/zinc/65/43/61/1385654361.db2.gz CBJQBJXZYXKDEQ-INIZCTEOSA-N 2 1 345.462 3.281 20 10 EGCDMP C[C@@H](C1CC1)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001319688431 1386252634 /nfs/dbraw/zinc/25/26/34/1386252634.db2.gz IMNHRYSVHVBSTQ-HNNXBMFYSA-N 2 1 331.479 3.340 20 10 EGCDMP C[C@@H](C1CC1)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001319688431 1386252640 /nfs/dbraw/zinc/25/26/40/1386252640.db2.gz IMNHRYSVHVBSTQ-HNNXBMFYSA-N 2 1 331.479 3.340 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C3CCC3)cc2F)CC1 ZINC001319814705 1386311502 /nfs/dbraw/zinc/31/15/02/1386311502.db2.gz IQRFZZGYWUMSRT-LJQANCHMSA-N 2 1 331.479 3.342 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C3CCC3)cc2F)CC1 ZINC001319814705 1386311507 /nfs/dbraw/zinc/31/15/07/1386311507.db2.gz IQRFZZGYWUMSRT-LJQANCHMSA-N 2 1 331.479 3.342 20 10 EGCDMP CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347813362 1391128409 /nfs/dbraw/zinc/12/84/09/1391128409.db2.gz NCMKQARVVKLQNY-UYAOXDASSA-N 2 1 349.494 3.015 20 10 EGCDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc2c(cc1O)OCO2 ZINC000066795651 453874015 /nfs/dbraw/zinc/87/40/15/453874015.db2.gz YPPSOMOBVWQLRE-UHFFFAOYSA-N 2 1 342.439 3.205 20 10 EGCDMP COc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1O ZINC000092587772 454590803 /nfs/dbraw/zinc/59/08/03/454590803.db2.gz VILGHWHFHDXKER-QGZVFWFLSA-N 2 1 332.488 3.345 20 10 EGCDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000164582414 454885003 /nfs/dbraw/zinc/88/50/03/454885003.db2.gz ZHKFBJKPERFCBO-QGZVFWFLSA-N 2 1 342.487 3.159 20 10 EGCDMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000178035555 454928784 /nfs/dbraw/zinc/92/87/84/454928784.db2.gz SVSUOENXDZIKRF-KSZLIROESA-N 2 1 333.520 3.293 20 10 EGCDMP CC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000268845440 455715189 /nfs/dbraw/zinc/71/51/89/455715189.db2.gz DSWKEHKRFDAUEF-FQEVSTJZSA-N 2 1 345.531 3.438 20 10 EGCDMP Cc1cc(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1O ZINC000290320635 456290290 /nfs/dbraw/zinc/29/02/90/456290290.db2.gz CYHSZPVKBRXJQL-WFASDCNBSA-N 2 1 341.293 3.235 20 10 EGCDMP Cc1cc(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1O ZINC000290320635 456290293 /nfs/dbraw/zinc/29/02/93/456290293.db2.gz CYHSZPVKBRXJQL-WFASDCNBSA-N 2 1 341.293 3.235 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290320635 456290297 /nfs/dbraw/zinc/29/02/97/456290297.db2.gz CYHSZPVKBRXJQL-WFASDCNBSA-N 2 1 341.293 3.235 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290320635 456290301 /nfs/dbraw/zinc/29/03/01/456290301.db2.gz CYHSZPVKBRXJQL-WFASDCNBSA-N 2 1 341.293 3.235 20 10 EGCDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1O ZINC000363862380 457456881 /nfs/dbraw/zinc/45/68/81/457456881.db2.gz YWACRISIESXXDW-UBHSHLNASA-N 2 1 339.277 3.432 20 10 EGCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1O ZINC000363862380 457456888 /nfs/dbraw/zinc/45/68/88/457456888.db2.gz YWACRISIESXXDW-UBHSHLNASA-N 2 1 339.277 3.432 20 10 EGCDMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000374879232 457725820 /nfs/dbraw/zinc/72/58/20/457725820.db2.gz SGBBPYLXHYKQRU-VQIMIIECSA-N 2 1 340.467 3.401 20 10 EGCDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000738088500 574700868 /nfs/dbraw/zinc/70/08/68/574700868.db2.gz FKWSMWBVJDTVCH-UHFFFAOYSA-N 2 1 327.472 3.493 20 10 EGCDMP CCN(CC)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000733330778 575328718 /nfs/dbraw/zinc/32/87/18/575328718.db2.gz MKJHLLOEJDJIDG-NRFANRHFSA-N 2 1 345.531 3.266 20 10 EGCDMP Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738264573 576308064 /nfs/dbraw/zinc/30/80/64/576308064.db2.gz DWOICGBDPDNVEM-QGZVFWFLSA-N 2 1 325.456 3.391 20 10 EGCDMP CC(C[NH+](C)Cc1ccccc1O)C[N@@H+](C)Cc1ccccc1O ZINC000124741787 1293484476 /nfs/dbraw/zinc/48/44/76/1293484476.db2.gz BVZUUJAEODBBNY-UHFFFAOYSA-N 2 1 328.456 3.298 20 10 EGCDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000153783492 1294028385 /nfs/dbraw/zinc/02/83/85/1294028385.db2.gz YMLIRZNPAGGNOI-SFHVURJKSA-N 2 1 333.520 3.296 20 10 EGCDMP COc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1O ZINC000245573156 1296315622 /nfs/dbraw/zinc/31/56/22/1296315622.db2.gz YTWWRUWCNVDKBN-IRXDYDNUSA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1O ZINC000245573156 1296315633 /nfs/dbraw/zinc/31/56/33/1296315633.db2.gz YTWWRUWCNVDKBN-IRXDYDNUSA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1O ZINC000245573156 1296315648 /nfs/dbraw/zinc/31/56/48/1296315648.db2.gz YTWWRUWCNVDKBN-IRXDYDNUSA-N 2 1 332.488 3.487 20 10 EGCDMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000765973070 1302359375 /nfs/dbraw/zinc/35/93/75/1302359375.db2.gz BPJGXLGMQJGPHG-LEWJYISDSA-N 2 1 345.531 3.437 20 10 EGCDMP C[NH+]1CCC2(CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)CC1 ZINC000798957302 1310463514 /nfs/dbraw/zinc/46/35/14/1310463514.db2.gz RNSYFHYYAGXGIW-UHFFFAOYSA-N 2 1 326.843 3.493 20 10 EGCDMP C[NH+]1CCC2(CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)CC1 ZINC000798957302 1310463517 /nfs/dbraw/zinc/46/35/17/1310463517.db2.gz RNSYFHYYAGXGIW-UHFFFAOYSA-N 2 1 326.843 3.493 20 10 EGCDMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)ccc1O ZINC000799725120 1310606096 /nfs/dbraw/zinc/60/60/96/1310606096.db2.gz CZYSWUOOFRFIAB-INIZCTEOSA-N 2 1 339.911 3.112 20 10 EGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)ccc1O ZINC000809756402 1317891427 /nfs/dbraw/zinc/89/14/27/1317891427.db2.gz OKUFGVXEWHHASQ-UHFFFAOYSA-N 2 1 329.282 3.318 20 10 EGCDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817957829 1319476926 /nfs/dbraw/zinc/47/69/26/1319476926.db2.gz FJOSSJJZXVYOQX-DNVCBOLYSA-N 2 1 349.494 3.221 20 10 EGCDMP Cc1cc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc2cccnc12 ZINC000841045189 1321208489 /nfs/dbraw/zinc/20/84/89/1321208489.db2.gz JEMVTLZYHNGJAD-HXUWFJFHSA-N 2 1 334.467 3.399 20 10 EGCDMP C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000841099575 1321217950 /nfs/dbraw/zinc/21/79/50/1321217950.db2.gz MGGDBOXJGAVCDI-NVXWUHKLSA-N 2 1 346.475 3.002 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000841099575 1321217952 /nfs/dbraw/zinc/21/79/52/1321217952.db2.gz MGGDBOXJGAVCDI-NVXWUHKLSA-N 2 1 346.475 3.002 20 10 EGCDMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000843047761 1321461226 /nfs/dbraw/zinc/46/12/26/1321461226.db2.gz SMZJZJXBNVJDCO-QGZVFWFLSA-N 2 1 326.440 3.142 20 10 EGCDMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000850034600 1322186871 /nfs/dbraw/zinc/18/68/71/1322186871.db2.gz IEMSJYSDYSTAQT-JKSUJKDBSA-N 2 1 332.488 3.415 20 10 EGCDMP CN(C)c1cc(F)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1F ZINC000862353140 1329476893 /nfs/dbraw/zinc/47/68/93/1329476893.db2.gz UDGVBLBKQVKQQD-UHFFFAOYSA-N 2 1 337.458 3.339 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205651412 1370829037 /nfs/dbraw/zinc/82/90/37/1370829037.db2.gz DXYPFTFSDMVPPM-STQMWFEESA-N 2 1 341.293 3.270 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205651412 1370829041 /nfs/dbraw/zinc/82/90/41/1370829041.db2.gz DXYPFTFSDMVPPM-STQMWFEESA-N 2 1 341.293 3.270 20 10 EGCDMP CC(C)N1CCOC[C@]2(CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1 ZINC001203930737 1370319406 /nfs/dbraw/zinc/31/94/06/1370319406.db2.gz GXBQQSORCQAXLQ-NRFANRHFSA-N 2 1 345.531 3.075 20 10 EGCDMP CC(C)N1CCOC[C@]2(CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)C1 ZINC001203930737 1370319409 /nfs/dbraw/zinc/31/94/09/1370319409.db2.gz GXBQQSORCQAXLQ-NRFANRHFSA-N 2 1 345.531 3.075 20 10 EGCDMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(N(C)C)cc3)C2)C1 ZINC001203930737 1370319410 /nfs/dbraw/zinc/31/94/10/1370319410.db2.gz GXBQQSORCQAXLQ-NRFANRHFSA-N 2 1 345.531 3.075 20 10 EGCDMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(N(C)C)cc3)C2)C1 ZINC001203930737 1370319413 /nfs/dbraw/zinc/31/94/13/1370319413.db2.gz GXBQQSORCQAXLQ-NRFANRHFSA-N 2 1 345.531 3.075 20 10 EGCDMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1 ZINC001203930737 1370319416 /nfs/dbraw/zinc/31/94/16/1370319416.db2.gz GXBQQSORCQAXLQ-NRFANRHFSA-N 2 1 345.531 3.075 20 10 EGCDMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)C1 ZINC001203930737 1370319418 /nfs/dbraw/zinc/31/94/18/1370319418.db2.gz GXBQQSORCQAXLQ-NRFANRHFSA-N 2 1 345.531 3.075 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(OC)c1 ZINC001205558077 1370791558 /nfs/dbraw/zinc/79/15/58/1370791558.db2.gz BHZXNPOVGAHOOP-LJQANCHMSA-N 2 1 337.483 3.194 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC[C@@H]1C[NH3+] ZINC001205652499 1370828552 /nfs/dbraw/zinc/82/85/52/1370828552.db2.gz PTESOWDXLXBWMJ-QWHCGFSZSA-N 2 1 346.393 3.140 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC[C@H]1C[NH3+] ZINC001205651450 1370829410 /nfs/dbraw/zinc/82/94/10/1370829410.db2.gz FIBRTIBWTWJOPQ-GJZGRUSLSA-N 2 1 330.472 3.383 20 10 EGCDMP C[NH+](C)CC1(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CCCC1 ZINC001208190975 1371630181 /nfs/dbraw/zinc/63/01/81/1371630181.db2.gz ILEDWGCIZSZWSG-UHFFFAOYSA-N 2 1 345.531 3.077 20 10 EGCDMP Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041195 1376839592 /nfs/dbraw/zinc/83/95/92/1376839592.db2.gz YCFCXJNCPNSKFR-MRXNPFEDSA-N 2 1 344.377 3.399 20 10 EGCDMP Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041195 1376839598 /nfs/dbraw/zinc/83/95/98/1376839598.db2.gz YCFCXJNCPNSKFR-MRXNPFEDSA-N 2 1 344.377 3.399 20 10 EGCDMP Oc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235941616 1376920200 /nfs/dbraw/zinc/92/02/00/1376920200.db2.gz WHLOJBAKHGULDM-HKUYNNGSSA-N 2 1 338.451 3.013 20 10 EGCDMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140182499 1378026929 /nfs/dbraw/zinc/02/69/29/1378026929.db2.gz SRNDXVXMTYPRRO-GOSISDBHSA-N 2 1 332.488 3.084 20 10 EGCDMP Cc1c(O)ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1O ZINC001140747363 1378128947 /nfs/dbraw/zinc/12/89/47/1378128947.db2.gz AIZQORQBLTUDEV-SFHVURJKSA-N 2 1 340.467 3.360 20 10 EGCDMP Cc1c(O)ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC001140747363 1378128949 /nfs/dbraw/zinc/12/89/49/1378128949.db2.gz AIZQORQBLTUDEV-SFHVURJKSA-N 2 1 340.467 3.360 20 10 EGCDMP Cc1c(O)ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC001140747363 1378128950 /nfs/dbraw/zinc/12/89/50/1378128950.db2.gz AIZQORQBLTUDEV-SFHVURJKSA-N 2 1 340.467 3.360 20 10 EGCDMP Oc1ccccc1C[NH+]1CCC([NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171785534 1384636393 /nfs/dbraw/zinc/63/63/93/1384636393.db2.gz OZXFVBBGFOEBGF-GOSISDBHSA-N 2 1 340.442 3.253 20 10 EGCDMP CC(C)OC(=O)CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001172746917 1384842727 /nfs/dbraw/zinc/84/27/27/1384842727.db2.gz WCNYMOMOUKQWGK-MRXNPFEDSA-N 2 1 348.487 3.067 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH+]3C4CCCC3CCC4)cc2F)CC1 ZINC001337041741 1389243333 /nfs/dbraw/zinc/24/33/33/1389243333.db2.gz BKDTUJRIFPJFHC-UHFFFAOYSA-N 2 1 331.479 3.485 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccccc43)cc2F)CC1 ZINC001330300158 1389382309 /nfs/dbraw/zinc/38/23/09/1389382309.db2.gz MJEKKQPRGLOELS-HXUWFJFHSA-N 2 1 339.458 3.355 20 10 EGCDMP C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001338752209 1389752557 /nfs/dbraw/zinc/75/25/57/1389752557.db2.gz UCHDMGOICDKMLL-SJORKVTESA-N 2 1 333.495 3.493 20 10 EGCDMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185116485 455504445 /nfs/dbraw/zinc/50/44/45/455504445.db2.gz PKHNSMGJBZPJQT-NSHDSACASA-N 2 1 347.286 3.196 20 10 EGCDMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000268824232 455715064 /nfs/dbraw/zinc/71/50/64/455715064.db2.gz IIGVLFWYTUYUHW-SFHVURJKSA-N 2 1 345.531 3.174 20 10 EGCDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000294865949 455830294 /nfs/dbraw/zinc/83/02/94/455830294.db2.gz DLHQXBPNWAAADY-LJQANCHMSA-N 2 1 345.531 3.075 20 10 EGCDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000294865949 455830296 /nfs/dbraw/zinc/83/02/96/455830296.db2.gz DLHQXBPNWAAADY-LJQANCHMSA-N 2 1 345.531 3.075 20 10 EGCDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000294865949 455830298 /nfs/dbraw/zinc/83/02/98/455830298.db2.gz DLHQXBPNWAAADY-LJQANCHMSA-N 2 1 345.531 3.075 20 10 EGCDMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Br)cc3O)CC[C@@H]21 ZINC000691681809 1298136514 /nfs/dbraw/zinc/13/65/14/1298136514.db2.gz YNKLEKPQSLQXPI-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Br)cc3O)CC[C@@H]21 ZINC000691681809 1298136517 /nfs/dbraw/zinc/13/65/17/1298136517.db2.gz YNKLEKPQSLQXPI-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)cc3O)CC[C@@H]21 ZINC000691681809 1298136522 /nfs/dbraw/zinc/13/65/22/1298136522.db2.gz YNKLEKPQSLQXPI-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3O)CC[C@@H]21 ZINC000691681809 1298136531 /nfs/dbraw/zinc/13/65/31/1298136531.db2.gz YNKLEKPQSLQXPI-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000841029426 1321203770 /nfs/dbraw/zinc/20/37/70/1321203770.db2.gz GYPXBYVJKAICSE-SMDDNHRTSA-N 2 1 327.266 3.070 20 10 EGCDMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756408102 1300485960 /nfs/dbraw/zinc/48/59/60/1300485960.db2.gz JXSAAWPDUUYNDH-DOTOQJQBSA-N 2 1 349.494 3.087 20 10 EGCDMP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756527981 1300515159 /nfs/dbraw/zinc/51/51/59/1300515159.db2.gz LMLXRSHVTUFOGO-XJKSGUPXSA-N 2 1 336.451 3.170 20 10 EGCDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768466670 1302912680 /nfs/dbraw/zinc/91/26/80/1302912680.db2.gz UFZFDPXXQVBPMX-QGZVFWFLSA-N 2 1 328.500 3.435 20 10 EGCDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768466670 1302912689 /nfs/dbraw/zinc/91/26/89/1302912689.db2.gz UFZFDPXXQVBPMX-QGZVFWFLSA-N 2 1 328.500 3.435 20 10 EGCDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768466670 1302912703 /nfs/dbraw/zinc/91/27/03/1302912703.db2.gz UFZFDPXXQVBPMX-QGZVFWFLSA-N 2 1 328.500 3.435 20 10 EGCDMP Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000772827790 1303583563 /nfs/dbraw/zinc/58/35/63/1303583563.db2.gz KAITVLSAWLBYRM-OXJNMPFZSA-N 2 1 337.467 3.389 20 10 EGCDMP Oc1ccc2ccncc2c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000772827790 1303583569 /nfs/dbraw/zinc/58/35/69/1303583569.db2.gz KAITVLSAWLBYRM-OXJNMPFZSA-N 2 1 337.467 3.389 20 10 EGCDMP Oc1ccc2ccncc2c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000772827790 1303583576 /nfs/dbraw/zinc/58/35/76/1303583576.db2.gz KAITVLSAWLBYRM-OXJNMPFZSA-N 2 1 337.467 3.389 20 10 EGCDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894242387 1306298732 /nfs/dbraw/zinc/29/87/32/1306298732.db2.gz YOBBMNJVXCKVKD-UHFFFAOYSA-N 2 1 328.456 3.451 20 10 EGCDMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(OCc3ccccc3)cc1O)C2 ZINC000857226259 1328525089 /nfs/dbraw/zinc/52/50/89/1328525089.db2.gz JGOPFFBCXOEEEH-WIYYLYMNSA-N 2 1 338.451 3.284 20 10 EGCDMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(OCc3ccccc3)cc1O)C2 ZINC000857226259 1328525090 /nfs/dbraw/zinc/52/50/90/1328525090.db2.gz JGOPFFBCXOEEEH-WIYYLYMNSA-N 2 1 338.451 3.284 20 10 EGCDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903733090 1317727494 /nfs/dbraw/zinc/72/74/94/1317727494.db2.gz JNQCJVFGKDSWKE-FQEVSTJZSA-N 2 1 345.531 3.123 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3ccncc3)cc2)CC1 ZINC000809728994 1317879840 /nfs/dbraw/zinc/87/98/40/1317879840.db2.gz NUPRGEOIDUBOAN-NRFANRHFSA-N 2 1 336.483 3.171 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC4(CCC4)[C@H]3C3CC3)cc2)CC1 ZINC000811513610 1318192258 /nfs/dbraw/zinc/19/22/58/1318192258.db2.gz LIXPQBHQICLUBU-HXUWFJFHSA-N 2 1 325.500 3.203 20 10 EGCDMP COCC1(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CC[NH2+]CC1 ZINC000817975510 1319482721 /nfs/dbraw/zinc/48/27/21/1319482721.db2.gz VVKWECZNLBJNQQ-LLVKDONJSA-N 2 1 347.286 3.366 20 10 EGCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1O ZINC000843127891 1321474562 /nfs/dbraw/zinc/47/45/62/1321474562.db2.gz UFJVAFUBQRQQFH-ZIAGYGMSSA-N 2 1 338.879 3.266 20 10 EGCDMP Oc1ccccc1C[N@@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000843356700 1321505252 /nfs/dbraw/zinc/50/52/52/1321505252.db2.gz WIQYAJSUKYIKGU-LJQANCHMSA-N 2 1 332.488 3.153 20 10 EGCDMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000850034598 1322186223 /nfs/dbraw/zinc/18/62/23/1322186223.db2.gz IEMSJYSDYSTAQT-HOTGVXAUSA-N 2 1 332.488 3.415 20 10 EGCDMP Oc1cccc(Br)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735150 1370559262 /nfs/dbraw/zinc/55/92/62/1370559262.db2.gz LXCNFMYNEDMLNR-UHFFFAOYSA-N 2 1 339.277 3.120 20 10 EGCDMP CC1(C)C=Cc2c(O)c(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)ccc2O1 ZINC001205592782 1370803449 /nfs/dbraw/zinc/80/34/49/1370803449.db2.gz YFVHMWHINIJFAZ-LJQANCHMSA-N 2 1 334.435 3.229 20 10 EGCDMP CC1(C)C=Cc2c(O)c(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)ccc2O1 ZINC001206380826 1371039675 /nfs/dbraw/zinc/03/96/75/1371039675.db2.gz UCIHJTMMBOXJEJ-LJQANCHMSA-N 2 1 334.435 3.229 20 10 EGCDMP CC1(C)C=Cc2c(O)c(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)ccc2O1 ZINC001206380826 1371039681 /nfs/dbraw/zinc/03/96/81/1371039681.db2.gz UCIHJTMMBOXJEJ-LJQANCHMSA-N 2 1 334.435 3.229 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(O)c1 ZINC001235047184 1376842234 /nfs/dbraw/zinc/84/22/34/1376842234.db2.gz STANCDXIFWSPJW-HXUWFJFHSA-N 2 1 331.504 3.347 20 10 EGCDMP CCC[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C1CC[NH2+]CC1 ZINC001236181779 1376939658 /nfs/dbraw/zinc/93/96/58/1376939658.db2.gz FHRSNYOFSSMMLV-UHFFFAOYSA-N 2 1 343.515 3.055 20 10 EGCDMP CCCC[C@H]1C[C@H]([NH+]2CCN(c3ccc(OC)cc3C)CC2)CC[NH2+]1 ZINC001246937165 1377055991 /nfs/dbraw/zinc/05/59/91/1377055991.db2.gz ZLYPWGVEMFVRQY-RBUKOAKNSA-N 2 1 345.531 3.436 20 10 EGCDMP COc1cc(C[N@@H+](C)CCc2ccc(C)cc2)cc(C[NH+](C)C)c1O ZINC001139258095 1377858558 /nfs/dbraw/zinc/85/85/58/1377858558.db2.gz LQGAZEGVUQZJJK-UHFFFAOYSA-N 2 1 342.483 3.445 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3CCOC)cc2)CC1 ZINC001140304104 1378042839 /nfs/dbraw/zinc/04/28/39/1378042839.db2.gz IIXMSDWHUNVUOD-FQEVSTJZSA-N 2 1 345.531 3.220 20 10 EGCDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CCCCC4)cc3)C[C@H]2CC1 ZINC001276551207 1378179133 /nfs/dbraw/zinc/17/91/33/1378179133.db2.gz DPSUBNUJXLDRQG-BGYRXZFFSA-N 2 1 327.516 3.451 20 10 EGCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]2CC1 ZINC001276551207 1378179134 /nfs/dbraw/zinc/17/91/34/1378179134.db2.gz DPSUBNUJXLDRQG-BGYRXZFFSA-N 2 1 327.516 3.451 20 10 EGCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]2CC1 ZINC001276551207 1378179136 /nfs/dbraw/zinc/17/91/36/1378179136.db2.gz DPSUBNUJXLDRQG-BGYRXZFFSA-N 2 1 327.516 3.451 20 10 EGCDMP Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c(O)c1 ZINC001140952095 1378190433 /nfs/dbraw/zinc/19/04/33/1378190433.db2.gz DYYWYAANAVUSSH-CALCHBBNSA-N 2 1 328.481 3.326 20 10 EGCDMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001140952095 1378190434 /nfs/dbraw/zinc/19/04/34/1378190434.db2.gz DYYWYAANAVUSSH-CALCHBBNSA-N 2 1 328.481 3.326 20 10 EGCDMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001140952095 1378190437 /nfs/dbraw/zinc/19/04/37/1378190437.db2.gz DYYWYAANAVUSSH-CALCHBBNSA-N 2 1 328.481 3.326 20 10 EGCDMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001140952095 1378190440 /nfs/dbraw/zinc/19/04/40/1378190440.db2.gz DYYWYAANAVUSSH-CALCHBBNSA-N 2 1 328.481 3.326 20 10 EGCDMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001140952095 1378190444 /nfs/dbraw/zinc/19/04/44/1378190444.db2.gz DYYWYAANAVUSSH-CALCHBBNSA-N 2 1 328.481 3.326 20 10 EGCDMP CC[NH+](CC)C1CCC([N@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001173113303 1384917802 /nfs/dbraw/zinc/91/78/02/1384917802.db2.gz MVEIYNFEFKTGQH-UHFFFAOYSA-N 2 1 332.488 3.499 20 10 EGCDMP C[C@H]1CC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C)C1 ZINC001318652742 1385817090 /nfs/dbraw/zinc/81/70/90/1385817090.db2.gz XSMKZYUWGICTBS-HZPDHXFCSA-N 2 1 333.495 3.492 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](c4ccco4)C3)cc2F)CC1 ZINC001319706734 1386261177 /nfs/dbraw/zinc/26/11/77/1386261177.db2.gz ASFLOCZYZGSBRX-KRWDZBQOSA-N 2 1 343.446 3.160 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](c4ccco4)C3)cc2F)CC1 ZINC001319706734 1386261184 /nfs/dbraw/zinc/26/11/84/1386261184.db2.gz ASFLOCZYZGSBRX-KRWDZBQOSA-N 2 1 343.446 3.160 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)cc2F)CC1 ZINC001319925143 1386394646 /nfs/dbraw/zinc/39/46/46/1386394646.db2.gz CILDZLMQKBWUAM-FQEVSTJZSA-N 2 1 342.462 3.243 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)cc2F)CC1 ZINC001319925143 1386394650 /nfs/dbraw/zinc/39/46/50/1386394650.db2.gz CILDZLMQKBWUAM-FQEVSTJZSA-N 2 1 342.462 3.243 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)cc2F)CC1 ZINC001337380916 1389325851 /nfs/dbraw/zinc/32/58/51/1389325851.db2.gz LOOPTLGXNSASDI-SFHVURJKSA-N 2 1 349.494 3.013 20 10 EGCDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183070006 455222729 /nfs/dbraw/zinc/22/27/29/455222729.db2.gz AKMFKGHHAQAHPA-GOSISDBHSA-N 2 1 340.467 3.355 20 10 EGCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066930 454512786 /nfs/dbraw/zinc/51/27/86/454512786.db2.gz WYWNARJQEWQEJJ-BEFAXECRSA-N 2 1 330.472 3.240 20 10 EGCDMP CCOc1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000092066930 454512791 /nfs/dbraw/zinc/51/27/91/454512791.db2.gz WYWNARJQEWQEJJ-BEFAXECRSA-N 2 1 330.472 3.240 20 10 EGCDMP CCOc1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000092066930 454512794 /nfs/dbraw/zinc/51/27/94/454512794.db2.gz WYWNARJQEWQEJJ-BEFAXECRSA-N 2 1 330.472 3.240 20 10 EGCDMP COc1ccc(N2CCC([NH2+]CCCCn3cc[nH+]c3C)CC2)cc1 ZINC000164641852 454886482 /nfs/dbraw/zinc/88/64/82/454886482.db2.gz URUFWGYPAYUGNN-UHFFFAOYSA-N 2 1 342.487 3.239 20 10 EGCDMP CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000121215068 1293360702 /nfs/dbraw/zinc/36/07/02/1293360702.db2.gz NQEHEPJTOURZCY-QGZVFWFLSA-N 2 1 342.439 3.444 20 10 EGCDMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000163105904 1294328405 /nfs/dbraw/zinc/32/84/05/1294328405.db2.gz CYBWNDKFNSFHGV-IBGZPJMESA-N 2 1 343.471 3.359 20 10 EGCDMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000163105904 1294328411 /nfs/dbraw/zinc/32/84/11/1294328411.db2.gz CYBWNDKFNSFHGV-IBGZPJMESA-N 2 1 343.471 3.359 20 10 EGCDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876897728 1299055898 /nfs/dbraw/zinc/05/58/98/1299055898.db2.gz VKNPNROZKQTNPV-GOSISDBHSA-N 2 1 345.531 3.002 20 10 EGCDMP C[C@H](C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nccs1 ZINC000753595668 1299985791 /nfs/dbraw/zinc/98/57/91/1299985791.db2.gz QQJSSEMGOMHFJH-MRXNPFEDSA-N 2 1 344.528 3.130 20 10 EGCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000762073799 1301608242 /nfs/dbraw/zinc/60/82/42/1301608242.db2.gz JFJYNWYGTMEHFP-UHFFFAOYSA-N 2 1 331.460 3.380 20 10 EGCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000762073799 1301608251 /nfs/dbraw/zinc/60/82/51/1301608251.db2.gz JFJYNWYGTMEHFP-UHFFFAOYSA-N 2 1 331.460 3.380 20 10 EGCDMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cc(Br)ccc1O ZINC000767411569 1302664351 /nfs/dbraw/zinc/66/43/51/1302664351.db2.gz NOPAWWFNTGPURO-OAHLLOKOSA-N 2 1 341.293 3.461 20 10 EGCDMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cc(Br)ccc1O ZINC000767411569 1302664360 /nfs/dbraw/zinc/66/43/60/1302664360.db2.gz NOPAWWFNTGPURO-OAHLLOKOSA-N 2 1 341.293 3.461 20 10 EGCDMP CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cc(Br)ccc1O ZINC000767411569 1302664375 /nfs/dbraw/zinc/66/43/75/1302664375.db2.gz NOPAWWFNTGPURO-OAHLLOKOSA-N 2 1 341.293 3.461 20 10 EGCDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768466669 1302914468 /nfs/dbraw/zinc/91/44/68/1302914468.db2.gz UFZFDPXXQVBPMX-KRWDZBQOSA-N 2 1 328.500 3.435 20 10 EGCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768466669 1302914474 /nfs/dbraw/zinc/91/44/74/1302914474.db2.gz UFZFDPXXQVBPMX-KRWDZBQOSA-N 2 1 328.500 3.435 20 10 EGCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768466669 1302914481 /nfs/dbraw/zinc/91/44/81/1302914481.db2.gz UFZFDPXXQVBPMX-KRWDZBQOSA-N 2 1 328.500 3.435 20 10 EGCDMP CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000770373573 1303256200 /nfs/dbraw/zinc/25/62/00/1303256200.db2.gz HMBCIEXJIJQAHB-QFBILLFUSA-N 2 1 331.479 3.340 20 10 EGCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000770373573 1303256206 /nfs/dbraw/zinc/25/62/06/1303256206.db2.gz HMBCIEXJIJQAHB-QFBILLFUSA-N 2 1 331.479 3.340 20 10 EGCDMP CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000770373573 1303256210 /nfs/dbraw/zinc/25/62/10/1303256210.db2.gz HMBCIEXJIJQAHB-QFBILLFUSA-N 2 1 331.479 3.340 20 10 EGCDMP CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000770373573 1303256215 /nfs/dbraw/zinc/25/62/15/1303256215.db2.gz HMBCIEXJIJQAHB-QFBILLFUSA-N 2 1 331.479 3.340 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](c4ccccc4)C3)cc2)CC1 ZINC000775652305 1304005760 /nfs/dbraw/zinc/00/57/60/1304005760.db2.gz XPEUWGIHHYXTNE-NRFANRHFSA-N 2 1 335.495 3.428 20 10 EGCDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000775664643 1304009528 /nfs/dbraw/zinc/00/95/28/1304009528.db2.gz OFKGUSDVZKONAA-DLBZAZTESA-N 2 1 332.488 3.487 20 10 EGCDMP COc1ccc(O)c(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000775664643 1304009534 /nfs/dbraw/zinc/00/95/34/1304009534.db2.gz OFKGUSDVZKONAA-DLBZAZTESA-N 2 1 332.488 3.487 20 10 EGCDMP COc1ccc(O)c(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000775664643 1304009540 /nfs/dbraw/zinc/00/95/40/1304009540.db2.gz OFKGUSDVZKONAA-DLBZAZTESA-N 2 1 332.488 3.487 20 10 EGCDMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1O ZINC000783489386 1305098184 /nfs/dbraw/zinc/09/81/84/1305098184.db2.gz COPXQJUQFWZYJK-WBVHZDCISA-N 2 1 345.512 3.093 20 10 EGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1O ZINC000808694578 1317717276 /nfs/dbraw/zinc/71/72/76/1317717276.db2.gz FKGSYGFFSSHDKX-HOCLYGCPSA-N 2 1 340.895 3.242 20 10 EGCDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817957827 1319476210 /nfs/dbraw/zinc/47/62/10/1319476210.db2.gz FJOSSJJZXVYOQX-BEFAXECRSA-N 2 1 349.494 3.221 20 10 EGCDMP COCC1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC[NH2+]CC1 ZINC000817973882 1319482827 /nfs/dbraw/zinc/48/28/27/1319482827.db2.gz GYDSIHNLSOPSHN-LBPRGKRZSA-N 2 1 346.393 3.078 20 10 EGCDMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(C(F)(F)F)c1O ZINC000817987383 1319486851 /nfs/dbraw/zinc/48/68/51/1319486851.db2.gz TWPDWLAMAWNWIC-UMSGYPCISA-N 2 1 328.378 3.450 20 10 EGCDMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000840807524 1321153063 /nfs/dbraw/zinc/15/30/63/1321153063.db2.gz CPJJNCMUJFWOSA-IRXDYDNUSA-N 2 1 349.494 3.045 20 10 EGCDMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843053200 1321462353 /nfs/dbraw/zinc/46/23/53/1321462353.db2.gz YZWJULSYCOSYFW-QWHCGFSZSA-N 2 1 329.410 3.331 20 10 EGCDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843053200 1321462355 /nfs/dbraw/zinc/46/23/55/1321462355.db2.gz YZWJULSYCOSYFW-QWHCGFSZSA-N 2 1 329.410 3.331 20 10 EGCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125836 1321473896 /nfs/dbraw/zinc/47/38/96/1321473896.db2.gz JIUWGEPQHGSYNT-WOJBJXKFSA-N 2 1 327.516 3.498 20 10 EGCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125831 1321474545 /nfs/dbraw/zinc/47/45/45/1321474545.db2.gz JIUWGEPQHGSYNT-UXHICEINSA-N 2 1 327.516 3.498 20 10 EGCDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000846703525 1321803107 /nfs/dbraw/zinc/80/31/07/1321803107.db2.gz OOEWXUUGNCLVMI-MAUKXSAKSA-N 2 1 326.440 3.283 20 10 EGCDMP CCc1cccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1O ZINC000848899421 1322037633 /nfs/dbraw/zinc/03/76/33/1322037633.db2.gz FUKAVPCUZGBIQT-UHFFFAOYSA-N 2 1 340.471 3.120 20 10 EGCDMP COc1ccc(O)c(C[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c1 ZINC001203671786 1370211087 /nfs/dbraw/zinc/21/10/87/1370211087.db2.gz XSNVGARTAOLAIU-IYBDPMFKSA-N 2 1 344.480 3.026 20 10 EGCDMP COc1ccc(O)c(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203671786 1370211090 /nfs/dbraw/zinc/21/10/90/1370211090.db2.gz XSNVGARTAOLAIU-IYBDPMFKSA-N 2 1 344.480 3.026 20 10 EGCDMP COc1ccc(O)c(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203671786 1370211093 /nfs/dbraw/zinc/21/10/93/1370211093.db2.gz XSNVGARTAOLAIU-IYBDPMFKSA-N 2 1 344.480 3.026 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Br ZINC001205591367 1370803054 /nfs/dbraw/zinc/80/30/54/1370803054.db2.gz LBCBMXVWBONJNG-OAHLLOKOSA-N 2 1 345.256 3.116 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC[C@@H]1C[NH3+] ZINC001205626943 1370816427 /nfs/dbraw/zinc/81/64/27/1370816427.db2.gz KVMUAKRMKKJCPX-OXQOHEQNSA-N 2 1 327.516 3.192 20 10 EGCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[C@H]1F ZINC001206197901 1370990046 /nfs/dbraw/zinc/99/00/46/1370990046.db2.gz KGGCLNQDTXBBJC-QZTJIDSGSA-N 2 1 332.394 3.460 20 10 EGCDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237061237 1376973679 /nfs/dbraw/zinc/97/36/79/1376973679.db2.gz HZZYEXYCSOWOKU-UHFFFAOYSA-N 2 1 334.382 3.107 20 10 EGCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cccc(F)c1F ZINC001139410765 1377880455 /nfs/dbraw/zinc/88/04/55/1377880455.db2.gz COYGCYFVYWHCHY-UHFFFAOYSA-N 2 1 345.437 3.349 20 10 EGCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cccc(F)c1F ZINC001139410765 1377880457 /nfs/dbraw/zinc/88/04/57/1377880457.db2.gz COYGCYFVYWHCHY-UHFFFAOYSA-N 2 1 345.437 3.349 20 10 EGCDMP Cc1ccc(O)c(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1 ZINC001140619705 1378099569 /nfs/dbraw/zinc/09/95/69/1378099569.db2.gz LMTOVCNCRQVDIW-IAGOWNOFSA-N 2 1 328.481 3.326 20 10 EGCDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183069988 455222309 /nfs/dbraw/zinc/22/23/09/455222309.db2.gz AKMFKGHHAQAHPA-SFHVURJKSA-N 2 1 340.467 3.355 20 10 EGCDMP COc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000076272165 453985313 /nfs/dbraw/zinc/98/53/13/453985313.db2.gz ONSROLDQESGQGD-UHFFFAOYSA-N 2 1 326.440 3.155 20 10 EGCDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(OC)c1O ZINC000289514547 456128730 /nfs/dbraw/zinc/12/87/30/456128730.db2.gz UYWQDHKPRWJNGN-UHFFFAOYSA-N 2 1 328.456 3.485 20 10 EGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)[C@@H](C)C1 ZINC000297549396 456249820 /nfs/dbraw/zinc/24/98/20/456249820.db2.gz FOGDUNIPKURBRW-SZMVWBNQSA-N 2 1 332.488 3.106 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000367767575 457979172 /nfs/dbraw/zinc/97/91/72/457979172.db2.gz BOAQTORIOAHUJA-CABCVRRESA-N 2 1 339.277 3.180 20 10 EGCDMP CC(=O)c1cc(Cl)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1[O-] ZINC000375754414 458050191 /nfs/dbraw/zinc/05/01/91/458050191.db2.gz CTNUYRFGUHAELE-XYPWUTKMSA-N 2 1 336.863 3.305 20 10 EGCDMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000702555044 1298194495 /nfs/dbraw/zinc/19/44/95/1298194495.db2.gz YKBLNBXNRJWGPE-FPOVZHCZSA-N 2 1 340.467 3.070 20 10 EGCDMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000702555044 1298194502 /nfs/dbraw/zinc/19/45/02/1298194502.db2.gz YKBLNBXNRJWGPE-FPOVZHCZSA-N 2 1 340.467 3.070 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000756430990 1300488575 /nfs/dbraw/zinc/48/85/75/1300488575.db2.gz LMVBHYPOUMEGJV-CVEARBPZSA-N 2 1 348.487 3.342 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000756430990 1300488580 /nfs/dbraw/zinc/48/85/80/1300488580.db2.gz LMVBHYPOUMEGJV-CVEARBPZSA-N 2 1 348.487 3.342 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000756433368 1300489518 /nfs/dbraw/zinc/48/95/18/1300489518.db2.gz YILHGEPCQUNIAY-JKSUJKDBSA-N 2 1 348.487 3.484 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000756433368 1300489523 /nfs/dbraw/zinc/48/95/23/1300489523.db2.gz YILHGEPCQUNIAY-JKSUJKDBSA-N 2 1 348.487 3.484 20 10 EGCDMP CCN(CC)c1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000762481797 1301688799 /nfs/dbraw/zinc/68/87/99/1301688799.db2.gz RCXDIOGATYYOMU-GOSISDBHSA-N 2 1 333.520 3.123 20 10 EGCDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC000765623889 1302291072 /nfs/dbraw/zinc/29/10/72/1302291072.db2.gz PRCAJIOTUXDIRL-PKOBYXMFSA-N 2 1 334.504 3.230 20 10 EGCDMP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1c(O)cccc1F ZINC000886506162 1303480157 /nfs/dbraw/zinc/48/01/57/1303480157.db2.gz FDGCCVUIPBXDSN-CQSZACIVSA-N 2 1 332.419 3.323 20 10 EGCDMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(O)c1OC ZINC000893488832 1305923347 /nfs/dbraw/zinc/92/33/47/1305923347.db2.gz UGWQMVVMFVBHFT-GOEBONIOSA-N 2 1 348.487 3.152 20 10 EGCDMP COc1cccc(O)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789770355 1306213619 /nfs/dbraw/zinc/21/36/19/1306213619.db2.gz VYLXTGVQIPHMAJ-UHFFFAOYSA-N 2 1 341.455 3.313 20 10 EGCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC[N@H+]1C ZINC000793003805 1309279004 /nfs/dbraw/zinc/27/90/04/1309279004.db2.gz ZZEFDVXSIPXPFD-TZMCWYRMSA-N 2 1 329.410 3.344 20 10 EGCDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC[N@H+]1C ZINC000793003800 1309279136 /nfs/dbraw/zinc/27/91/36/1309279136.db2.gz ZZEFDVXSIPXPFD-JSGCOSHPSA-N 2 1 329.410 3.344 20 10 EGCDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000895685101 1309464924 /nfs/dbraw/zinc/46/49/24/1309464924.db2.gz JOWHFKRVGFBJTR-UHFFFAOYSA-N 2 1 345.531 3.221 20 10 EGCDMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C)cc1O ZINC000794811312 1309600367 /nfs/dbraw/zinc/60/03/67/1309600367.db2.gz WTRRIIFALZVDNS-MJGOQNOKSA-N 2 1 332.488 3.385 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1Cl ZINC000826538520 1320387116 /nfs/dbraw/zinc/38/71/16/1320387116.db2.gz FGIKMDNERCSWBY-INIZCTEOSA-N 2 1 338.879 3.041 20 10 EGCDMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817954526 1319474505 /nfs/dbraw/zinc/47/45/05/1319474505.db2.gz YKSLDGHLBMNWFA-OAHLLOKOSA-N 2 1 339.911 3.215 20 10 EGCDMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843052888 1321462537 /nfs/dbraw/zinc/46/25/37/1321462537.db2.gz XOYDWZLCIFUOSM-WBVHZDCISA-N 2 1 346.475 3.144 20 10 EGCDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843052888 1321462540 /nfs/dbraw/zinc/46/25/40/1321462540.db2.gz XOYDWZLCIFUOSM-WBVHZDCISA-N 2 1 346.475 3.144 20 10 EGCDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000843058750 1321463789 /nfs/dbraw/zinc/46/37/89/1321463789.db2.gz XJEIGSHDXCBLPN-DOTOQJQBSA-N 2 1 326.440 3.140 20 10 EGCDMP COc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1O ZINC000846137002 1321770344 /nfs/dbraw/zinc/77/03/44/1321770344.db2.gz PUSOTFADJPHRLI-MRXNPFEDSA-N 2 1 340.467 3.500 20 10 EGCDMP COc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1O ZINC000846137002 1321770346 /nfs/dbraw/zinc/77/03/46/1321770346.db2.gz PUSOTFADJPHRLI-MRXNPFEDSA-N 2 1 340.467 3.500 20 10 EGCDMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)c(O)c(C(C)(C)C)c1 ZINC000850036114 1322186184 /nfs/dbraw/zinc/18/61/84/1322186184.db2.gz DVUKATZLSLIWBA-UHFFFAOYSA-N 2 1 331.460 3.383 20 10 EGCDMP Oc1ccc(Cl)c(F)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850419104 1322244114 /nfs/dbraw/zinc/24/41/14/1322244114.db2.gz AXZOQNSTSZNXLI-UHFFFAOYSA-N 2 1 326.843 3.396 20 10 EGCDMP CN(C)c1cc(F)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000862367764 1329478687 /nfs/dbraw/zinc/47/86/87/1329478687.db2.gz UVDIDBNDVCDHDE-HNNXBMFYSA-N 2 1 337.458 3.195 20 10 EGCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[C@@H]1F ZINC001206197903 1370990458 /nfs/dbraw/zinc/99/04/58/1370990458.db2.gz KGGCLNQDTXBBJC-ZWKOTPCHSA-N 2 1 332.394 3.460 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCC(F)(F)C3)cc2F)CC1 ZINC001326918773 1388350529 /nfs/dbraw/zinc/35/05/29/1388350529.db2.gz YFCZTGHXPVGECS-HNNXBMFYSA-N 2 1 341.421 3.103 20 10 EGCDMP Cc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1O ZINC001231592218 1376273383 /nfs/dbraw/zinc/27/33/83/1376273383.db2.gz PEJOPJBMMWSHLL-HXUWFJFHSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1O ZINC001231592218 1376273390 /nfs/dbraw/zinc/27/33/90/1376273390.db2.gz PEJOPJBMMWSHLL-HXUWFJFHSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1cccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1O ZINC001231592218 1376273397 /nfs/dbraw/zinc/27/33/97/1376273397.db2.gz PEJOPJBMMWSHLL-HXUWFJFHSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1cccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1O ZINC001231592218 1376273406 /nfs/dbraw/zinc/27/34/06/1376273406.db2.gz PEJOPJBMMWSHLL-HXUWFJFHSA-N 2 1 332.488 3.023 20 10 EGCDMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3O)C[C@H]2C1 ZINC001233776428 1376714917 /nfs/dbraw/zinc/71/49/17/1376714917.db2.gz SAFBGAZWYSJXBB-ZIAGYGMSSA-N 2 1 344.377 3.064 20 10 EGCDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001327241322 1388460516 /nfs/dbraw/zinc/46/05/16/1388460516.db2.gz WVTMTFVFBIILJM-SBHAEUEKSA-N 2 1 343.515 3.005 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c(O)c1 ZINC001235189603 1376856282 /nfs/dbraw/zinc/85/62/82/1376856282.db2.gz NFENIPJNADABFA-UHFFFAOYSA-N 2 1 331.504 3.347 20 10 EGCDMP COc1cc(C[N@H+]2CCC[C@H]2c2ccncc2)cc(C[NH+](C)C)c1O ZINC001139257365 1377858042 /nfs/dbraw/zinc/85/80/42/1377858042.db2.gz YLOHTVQSXJVLJE-SFHVURJKSA-N 2 1 341.455 3.195 20 10 EGCDMP COc1cc(C[N@@H+](C)CCc2cccs2)cc(C[NH+](C)C)c1O ZINC001139256411 1377858182 /nfs/dbraw/zinc/85/81/82/1377858182.db2.gz AISUEONPMQAAMZ-UHFFFAOYSA-N 2 1 334.485 3.198 20 10 EGCDMP C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319691193 1386253870 /nfs/dbraw/zinc/25/38/70/1386253870.db2.gz MAQXCFJFHCTPAQ-HNNXBMFYSA-N 2 1 331.435 3.364 20 10 EGCDMP C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319691193 1386253875 /nfs/dbraw/zinc/25/38/75/1386253875.db2.gz MAQXCFJFHCTPAQ-HNNXBMFYSA-N 2 1 331.435 3.364 20 10 EGCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccsc1 ZINC001321395200 1386893468 /nfs/dbraw/zinc/89/34/68/1386893468.db2.gz BKJIEYKMSXACIN-AWEZNQCLSA-N 2 1 333.476 3.490 20 10 EGCDMP C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001338752199 1389752609 /nfs/dbraw/zinc/75/26/09/1389752609.db2.gz UCHDMGOICDKMLL-DLBZAZTESA-N 2 1 333.495 3.493 20 10 EGCDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC001340513668 1390302481 /nfs/dbraw/zinc/30/24/81/1390302481.db2.gz HQFPTOJVTRONKF-SJORKVTESA-N 2 1 349.494 3.045 20 10 EGCDMP CC[C@@H]([NH2+]CCCn1ccnc1)c1cc(Br)ccc1[O-] ZINC000020506225 453666545 /nfs/dbraw/zinc/66/65/45/453666545.db2.gz KCXQXVFAYJNCCF-CQSZACIVSA-N 2 1 338.249 3.482 20 10 EGCDMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000124446753 454734585 /nfs/dbraw/zinc/73/45/85/454734585.db2.gz BNCUFKGVOKOUOS-OAQYLSRUSA-N 2 1 346.563 3.067 20 10 EGCDMP CN(C)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(C(F)(F)F)c1 ZINC000279827678 455875060 /nfs/dbraw/zinc/87/50/60/455875060.db2.gz GSAKCLHXIVWKGN-UHFFFAOYSA-N 2 1 341.421 3.488 20 10 EGCDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Br)cc1O ZINC000273344623 456223850 /nfs/dbraw/zinc/22/38/50/456223850.db2.gz AGJKPGSEHRQLLZ-NSHDSACASA-N 2 1 325.250 3.067 20 10 EGCDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Br)ccc1O ZINC000273359600 456225156 /nfs/dbraw/zinc/22/51/56/456225156.db2.gz DLHUSMFSQFSMAM-NSHDSACASA-N 2 1 325.250 3.067 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000756762574 1300562211 /nfs/dbraw/zinc/56/22/11/1300562211.db2.gz UTDXSGDBTMTCLD-CVEARBPZSA-N 2 1 348.487 3.197 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000756762574 1300562217 /nfs/dbraw/zinc/56/22/17/1300562217.db2.gz UTDXSGDBTMTCLD-CVEARBPZSA-N 2 1 348.487 3.197 20 10 EGCDMP COc1cccc(O)c1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000769402106 1303106724 /nfs/dbraw/zinc/10/67/24/1303106724.db2.gz AWOLFUKWFPOBAR-SFHVURJKSA-N 2 1 340.467 3.355 20 10 EGCDMP COc1cccc(O)c1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000769402106 1303106728 /nfs/dbraw/zinc/10/67/28/1303106728.db2.gz AWOLFUKWFPOBAR-SFHVURJKSA-N 2 1 340.467 3.355 20 10 EGCDMP COc1cccc(O)c1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769402106 1303106735 /nfs/dbraw/zinc/10/67/35/1303106735.db2.gz AWOLFUKWFPOBAR-SFHVURJKSA-N 2 1 340.467 3.355 20 10 EGCDMP COc1cccc(O)c1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769402106 1303106741 /nfs/dbraw/zinc/10/67/41/1303106741.db2.gz AWOLFUKWFPOBAR-SFHVURJKSA-N 2 1 340.467 3.355 20 10 EGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000772998436 1303603997 /nfs/dbraw/zinc/60/39/97/1303603997.db2.gz KNSNYHAVQIQZLI-QUCCMNQESA-N 2 1 347.547 3.288 20 10 EGCDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000892937242 1305615802 /nfs/dbraw/zinc/61/58/02/1305615802.db2.gz CATPQFQRJMVZSI-UHFFFAOYSA-N 2 1 344.455 3.151 20 10 EGCDMP [NH3+]C1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCCCC1 ZINC000841040318 1321207060 /nfs/dbraw/zinc/20/70/60/1321207060.db2.gz OKXLSXSFCXNXSP-UHFFFAOYSA-N 2 1 346.475 3.336 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1O ZINC000843056576 1321463332 /nfs/dbraw/zinc/46/33/32/1321463332.db2.gz RAUFLPFOTPDBFA-AWEZNQCLSA-N 2 1 329.282 3.268 20 10 EGCDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C(F)(F)F)c1 ZINC000844902905 1321656399 /nfs/dbraw/zinc/65/63/99/1321656399.db2.gz WXVDMIHNAURWFN-YOEHRIQHSA-N 2 1 341.421 3.332 20 10 EGCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C(F)(F)F)c1 ZINC000844902905 1321656401 /nfs/dbraw/zinc/65/64/01/1321656401.db2.gz WXVDMIHNAURWFN-YOEHRIQHSA-N 2 1 341.421 3.332 20 10 EGCDMP C[N@H+](Cc1cccc(F)c1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324711508 1387747517 /nfs/dbraw/zinc/74/75/17/1387747517.db2.gz CPYFZUTZBLZBBJ-UHFFFAOYSA-N 2 1 345.437 3.349 20 10 EGCDMP C[N@@H+](Cc1cccc(F)c1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324711508 1387747520 /nfs/dbraw/zinc/74/75/20/1387747520.db2.gz CPYFZUTZBLZBBJ-UHFFFAOYSA-N 2 1 345.437 3.349 20 10 EGCDMP COc1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c(O)c1 ZINC001203621392 1370190458 /nfs/dbraw/zinc/19/04/58/1370190458.db2.gz CPYAOOLSCZUXKG-UHFFFAOYSA-N 2 1 330.472 3.241 20 10 EGCDMP COc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c(O)c1 ZINC001203621392 1370190461 /nfs/dbraw/zinc/19/04/61/1370190461.db2.gz CPYAOOLSCZUXKG-UHFFFAOYSA-N 2 1 330.472 3.241 20 10 EGCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001206304479 1371015882 /nfs/dbraw/zinc/01/58/82/1371015882.db2.gz LHUMFLWAUVNABH-OAQYLSRUSA-N 2 1 343.515 3.042 20 10 EGCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC001206311390 1371017550 /nfs/dbraw/zinc/01/75/50/1371017550.db2.gz NKHPNEPUEHCDIE-OAHLLOKOSA-N 2 1 327.266 3.106 20 10 EGCDMP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327211983 1388444808 /nfs/dbraw/zinc/44/48/08/1388444808.db2.gz ABNOZINBRKQIOP-HOTGVXAUSA-N 2 1 333.495 3.492 20 10 EGCDMP CCC[N@H+](Cc1cc(C)c(Br)cc1O)C[C@@H]1CC[NH2+]C1 ZINC001236843824 1376965281 /nfs/dbraw/zinc/96/52/81/1376965281.db2.gz LYYBRQGGGVKPBJ-CYBMUJFWSA-N 2 1 341.293 3.285 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC(F)(F)C(C)(C)C3)cc2)CC1 ZINC001139409093 1377880720 /nfs/dbraw/zinc/88/07/20/1377880720.db2.gz VYGUEMSCFULXHZ-UHFFFAOYSA-N 2 1 337.458 3.306 20 10 EGCDMP Cc1cc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)ccc1N(C)C ZINC001139672709 1377930915 /nfs/dbraw/zinc/93/09/15/1377930915.db2.gz COFCMBBKASHJTP-UHFFFAOYSA-N 2 1 333.495 3.459 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C(C)C)C3CCOCC3)cc2)CC1 ZINC001140309909 1378044349 /nfs/dbraw/zinc/04/43/49/1378044349.db2.gz ZPSKKOGJFADCPM-UHFFFAOYSA-N 2 1 345.531 3.218 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000295105564 455838754 /nfs/dbraw/zinc/83/87/54/455838754.db2.gz VNMBSTCSHMDHFI-GOOCMWNKSA-N 2 1 339.277 3.178 20 10 EGCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1O ZINC000363862381 457456463 /nfs/dbraw/zinc/45/64/63/457456463.db2.gz YWACRISIESXXDW-YUTCNCBUSA-N 2 1 339.277 3.432 20 10 EGCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1O ZINC000363862381 457456469 /nfs/dbraw/zinc/45/64/69/457456469.db2.gz YWACRISIESXXDW-YUTCNCBUSA-N 2 1 339.277 3.432 20 10 EGCDMP Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729683584 574879105 /nfs/dbraw/zinc/87/91/05/574879105.db2.gz PESXBIGJRZHQII-VQTJNVASSA-N 2 1 338.451 3.012 20 10 EGCDMP Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729683584 574879106 /nfs/dbraw/zinc/87/91/06/574879106.db2.gz PESXBIGJRZHQII-VQTJNVASSA-N 2 1 338.451 3.012 20 10 EGCDMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000161603944 1294296275 /nfs/dbraw/zinc/29/62/75/1294296275.db2.gz DBZDDGQJXGQXNA-INIZCTEOSA-N 2 1 349.494 3.187 20 10 EGCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000162840276 1294323778 /nfs/dbraw/zinc/32/37/78/1294323778.db2.gz KJRGNNSRMCHGHI-UHFFFAOYSA-N 2 1 331.460 3.422 20 10 EGCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000162840276 1294323784 /nfs/dbraw/zinc/32/37/84/1294323784.db2.gz KJRGNNSRMCHGHI-UHFFFAOYSA-N 2 1 331.460 3.422 20 10 EGCDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000173498580 1294463585 /nfs/dbraw/zinc/46/35/85/1294463585.db2.gz IPZIOAKBFRUBJW-HNNXBMFYSA-N 2 1 328.456 3.328 20 10 EGCDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000173498580 1294463589 /nfs/dbraw/zinc/46/35/89/1294463589.db2.gz IPZIOAKBFRUBJW-HNNXBMFYSA-N 2 1 328.456 3.328 20 10 EGCDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000173498580 1294463592 /nfs/dbraw/zinc/46/35/92/1294463592.db2.gz IPZIOAKBFRUBJW-HNNXBMFYSA-N 2 1 328.456 3.328 20 10 EGCDMP COc1ccc(O)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000708563433 1298244021 /nfs/dbraw/zinc/24/40/21/1298244021.db2.gz XIECOEQKFSIEQX-LPHOPBHVSA-N 2 1 340.467 3.259 20 10 EGCDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000762650172 1301721896 /nfs/dbraw/zinc/72/18/96/1301721896.db2.gz POZXIRBCEQIBAZ-SJORKVTESA-N 2 1 346.515 3.423 20 10 EGCDMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000765973074 1302359357 /nfs/dbraw/zinc/35/93/57/1302359357.db2.gz BPJGXLGMQJGPHG-SFTDATJTSA-N 2 1 345.531 3.437 20 10 EGCDMP Cc1csc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000883290764 1302370475 /nfs/dbraw/zinc/37/04/75/1302370475.db2.gz GDRXERJFPHLPAX-HNNXBMFYSA-N 2 1 330.501 3.054 20 10 EGCDMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000792920532 1309260342 /nfs/dbraw/zinc/26/03/42/1309260342.db2.gz ZDNSLOUOIOTXNZ-GOEBONIOSA-N 2 1 341.421 3.488 20 10 EGCDMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000792920532 1309260346 /nfs/dbraw/zinc/26/03/46/1309260346.db2.gz ZDNSLOUOIOTXNZ-GOEBONIOSA-N 2 1 341.421 3.488 20 10 EGCDMP CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000793206371 1309316862 /nfs/dbraw/zinc/31/68/62/1309316862.db2.gz GRNZNFMPZJVIAQ-GOSISDBHSA-N 2 1 340.467 3.403 20 10 EGCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1O ZINC000843127888 1321474492 /nfs/dbraw/zinc/47/44/92/1321474492.db2.gz UFJVAFUBQRQQFH-UONOGXRCSA-N 2 1 338.879 3.266 20 10 EGCDMP Oc1ccc(Cl)c(F)c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000849350717 1322117062 /nfs/dbraw/zinc/11/70/62/1322117062.db2.gz SROWJXHOKNQRNX-CYBMUJFWSA-N 2 1 326.843 3.396 20 10 EGCDMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850029410 1322185372 /nfs/dbraw/zinc/18/53/72/1322185372.db2.gz IGKWIRBHUMCCMC-CQSZACIVSA-N 2 1 332.488 3.272 20 10 EGCDMP Oc1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001203552538 1370167944 /nfs/dbraw/zinc/16/79/44/1370167944.db2.gz NJBJEDZNKTWSNP-UHFFFAOYSA-N 2 1 326.440 3.473 20 10 EGCDMP CCOc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001203617886 1370189584 /nfs/dbraw/zinc/18/95/84/1370189584.db2.gz XGJSUAVWUDGXQW-INIZCTEOSA-N 2 1 328.412 3.148 20 10 EGCDMP CCOc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001203617886 1370189589 /nfs/dbraw/zinc/18/95/89/1370189589.db2.gz XGJSUAVWUDGXQW-INIZCTEOSA-N 2 1 328.412 3.148 20 10 EGCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001205016145 1370629131 /nfs/dbraw/zinc/62/91/31/1370629131.db2.gz FURRUFZYIRTKKR-GOSISDBHSA-N 2 1 340.467 3.403 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC[C@@H]1C[NH3+] ZINC001205636529 1370820908 /nfs/dbraw/zinc/82/09/08/1370820908.db2.gz DGJFORTZDVARRT-NWDGAFQWSA-N 2 1 332.366 3.098 20 10 EGCDMP C[C@H]1C[N@H+](Cc2cc(Br)c(F)cc2O)CCC[C@@H]1C[NH3+] ZINC001206014028 1370939379 /nfs/dbraw/zinc/93/93/79/1370939379.db2.gz VFCRSUHUXOLVEZ-WDEREUQCSA-N 2 1 345.256 3.101 20 10 EGCDMP C[C@H]1C[N@@H+](Cc2cc(Br)c(F)cc2O)CCC[C@@H]1C[NH3+] ZINC001206014028 1370939385 /nfs/dbraw/zinc/93/93/85/1370939385.db2.gz VFCRSUHUXOLVEZ-WDEREUQCSA-N 2 1 345.256 3.101 20 10 EGCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC001206311387 1371017719 /nfs/dbraw/zinc/01/77/19/1371017719.db2.gz NKHPNEPUEHCDIE-HNNXBMFYSA-N 2 1 327.266 3.106 20 10 EGCDMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001206317801 1371019946 /nfs/dbraw/zinc/01/99/46/1371019946.db2.gz ISIQUCMWMSMBPT-OAHLLOKOSA-N 2 1 345.256 3.245 20 10 EGCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001206317801 1371019949 /nfs/dbraw/zinc/01/99/49/1371019949.db2.gz ISIQUCMWMSMBPT-OAHLLOKOSA-N 2 1 345.256 3.245 20 10 EGCDMP COc1cc(O)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC001206598195 1371104891 /nfs/dbraw/zinc/10/48/91/1371104891.db2.gz ILFLHDGSHYWQQP-ZDUSSCGKSA-N 2 1 326.868 3.407 20 10 EGCDMP COc1cc(O)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC001206598195 1371104894 /nfs/dbraw/zinc/10/48/94/1371104894.db2.gz ILFLHDGSHYWQQP-ZDUSSCGKSA-N 2 1 326.868 3.407 20 10 EGCDMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]2C1 ZINC001233776427 1376715274 /nfs/dbraw/zinc/71/52/74/1376715274.db2.gz SAFBGAZWYSJXBB-OKILXGFUSA-N 2 1 344.377 3.064 20 10 EGCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]2C1 ZINC001233776427 1376715277 /nfs/dbraw/zinc/71/52/77/1376715277.db2.gz SAFBGAZWYSJXBB-OKILXGFUSA-N 2 1 344.377 3.064 20 10 EGCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]2C1 ZINC001233776427 1376715278 /nfs/dbraw/zinc/71/52/78/1376715278.db2.gz SAFBGAZWYSJXBB-OKILXGFUSA-N 2 1 344.377 3.064 20 10 EGCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]2C1 ZINC001233776427 1376715283 /nfs/dbraw/zinc/71/52/83/1376715283.db2.gz SAFBGAZWYSJXBB-OKILXGFUSA-N 2 1 344.377 3.064 20 10 EGCDMP COc1ccc(C[N@@H+](Cc2ccc(N)cc2)C2CC[NH2+]CC2)cc1 ZINC001236448144 1376953477 /nfs/dbraw/zinc/95/34/77/1376953477.db2.gz ZDKOFTGQDAAOPW-UHFFFAOYSA-N 2 1 325.456 3.032 20 10 EGCDMP CCC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)C[C@@H]1CC[NH2+]C1 ZINC001236843011 1376966757 /nfs/dbraw/zinc/96/67/57/1376966757.db2.gz JSVYLSJNPNCTSY-OAHLLOKOSA-N 2 1 328.456 3.376 20 10 EGCDMP COc1cc(C[N@H+]2CCCc3ccccc3C2)cc(C[NH+](C)C)c1O ZINC001139258877 1377858514 /nfs/dbraw/zinc/85/85/14/1377858514.db2.gz YWYWJDNWFLHJID-UHFFFAOYSA-N 2 1 340.467 3.411 20 10 EGCDMP COc1cccc(C[N@@H+](C)Cc2cc(C[NH+](C)C)c(O)c(OC)c2)c1 ZINC001139256928 1377858530 /nfs/dbraw/zinc/85/85/30/1377858530.db2.gz NCLLPWUBBITMTA-UHFFFAOYSA-N 2 1 344.455 3.103 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CC3CC(F)(F)C3)cc2)CC1 ZINC001140303903 1378042777 /nfs/dbraw/zinc/04/27/77/1378042777.db2.gz DCTBOSJNMSYSCZ-UHFFFAOYSA-N 2 1 337.458 3.306 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC(F)(F)[C@@H](C)C3)cc2)CC1 ZINC001140302466 1378042853 /nfs/dbraw/zinc/04/28/53/1378042853.db2.gz RRWUNWWXKFOHNJ-INIZCTEOSA-N 2 1 337.458 3.306 20 10 EGCDMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001167826112 1383750362 /nfs/dbraw/zinc/75/03/62/1383750362.db2.gz MGWDNUOPASSZED-LJQANCHMSA-N 2 1 347.547 3.466 20 10 EGCDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC001331522688 1389782591 /nfs/dbraw/zinc/78/25/91/1389782591.db2.gz IVXOOQYVHQGEOY-HNNXBMFYSA-N 2 1 334.423 3.046 20 10 EGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC000115628770 1293192749 /nfs/dbraw/zinc/19/27/49/1293192749.db2.gz PRCAJIOTUXDIRL-MJGOQNOKSA-N 2 1 334.504 3.230 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+]CCCC[N@H+](C)C2CC2)c1O ZINC000835062583 1293196965 /nfs/dbraw/zinc/19/69/65/1293196965.db2.gz DCGARFWCKIGBOU-UHFFFAOYSA-N 2 1 341.293 3.427 20 10 EGCDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(Br)c3[O-])CC[C@@H]21 ZINC000156093275 1294126802 /nfs/dbraw/zinc/12/68/02/1294126802.db2.gz MLYBDRGLZBETHT-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000246985484 1296378124 /nfs/dbraw/zinc/37/81/24/1296378124.db2.gz HMEFGQNGHDYZIQ-CVEARBPZSA-N 2 1 346.471 3.207 20 10 EGCDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000246985484 1296378137 /nfs/dbraw/zinc/37/81/37/1296378137.db2.gz HMEFGQNGHDYZIQ-CVEARBPZSA-N 2 1 346.471 3.207 20 10 EGCDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000246985484 1296378152 /nfs/dbraw/zinc/37/81/52/1296378152.db2.gz HMEFGQNGHDYZIQ-CVEARBPZSA-N 2 1 346.471 3.207 20 10 EGCDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000246985484 1296378164 /nfs/dbraw/zinc/37/81/64/1296378164.db2.gz HMEFGQNGHDYZIQ-CVEARBPZSA-N 2 1 346.471 3.207 20 10 EGCDMP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000762648464 1301720487 /nfs/dbraw/zinc/72/04/87/1301720487.db2.gz IZWKVLOXIFDFCC-IIAWOOMASA-N 2 1 336.451 3.170 20 10 EGCDMP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000762648464 1301720492 /nfs/dbraw/zinc/72/04/92/1301720492.db2.gz IZWKVLOXIFDFCC-IIAWOOMASA-N 2 1 336.451 3.170 20 10 EGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000762650787 1301721364 /nfs/dbraw/zinc/72/13/64/1301721364.db2.gz RWVCGQLPHUOOSD-QZTJIDSGSA-N 2 1 333.520 3.294 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c(F)cccc3F)cc2)CC1 ZINC000883284183 1302362896 /nfs/dbraw/zinc/36/28/96/1302362896.db2.gz HKAKILBFSJHVHS-UHFFFAOYSA-N 2 1 331.410 3.006 20 10 EGCDMP CC[N@@H+](CCn1ccnc1C)Cc1cc(Br)ccc1O ZINC000766251550 1302415929 /nfs/dbraw/zinc/41/59/29/1302415929.db2.gz VCKRDLUNMWPRTP-UHFFFAOYSA-N 2 1 338.249 3.182 20 10 EGCDMP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1c(O)cccc1F ZINC000886542639 1303492512 /nfs/dbraw/zinc/49/25/12/1303492512.db2.gz CWBFVSQWYHNNJE-AWEZNQCLSA-N 2 1 329.419 3.494 20 10 EGCDMP COc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c(O)c1OC ZINC000892450802 1305379752 /nfs/dbraw/zinc/37/97/52/1305379752.db2.gz JRDPYKUVGYIQOY-UHFFFAOYSA-N 2 1 336.476 3.154 20 10 EGCDMP COCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC[C@@H](C)C1 ZINC000792192854 1309140594 /nfs/dbraw/zinc/14/05/94/1309140594.db2.gz OJGKAAGPVITYKA-NQIIRXRSSA-N 2 1 345.531 3.075 20 10 EGCDMP CN(C)c1ccc(C[NH2+]CCC[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000793040191 1309284417 /nfs/dbraw/zinc/28/44/17/1309284417.db2.gz DWTUBRFMKXTFSQ-UHFFFAOYSA-N 2 1 329.410 3.347 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+](C)CCC[NH+]2CCCC2)c1O ZINC000798957386 1310463619 /nfs/dbraw/zinc/46/36/19/1310463619.db2.gz AXORQYHFDCBVPG-UHFFFAOYSA-N 2 1 341.293 3.381 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+](C)CCC[NH+]2CCCC2)c1O ZINC000798957386 1310463625 /nfs/dbraw/zinc/46/36/25/1310463625.db2.gz AXORQYHFDCBVPG-UHFFFAOYSA-N 2 1 341.293 3.381 20 10 EGCDMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(Br)ccc1O ZINC000798957840 1310464012 /nfs/dbraw/zinc/46/40/12/1310464012.db2.gz IFCPFCZLOKJYOF-UHFFFAOYSA-N 2 1 327.266 3.072 20 10 EGCDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Br)ccc1O ZINC000798957840 1310464014 /nfs/dbraw/zinc/46/40/14/1310464014.db2.gz IFCPFCZLOKJYOF-UHFFFAOYSA-N 2 1 327.266 3.072 20 10 EGCDMP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc(OCc3ccccc3)cc1O)C2 ZINC000857226257 1328525043 /nfs/dbraw/zinc/52/50/43/1328525043.db2.gz JGOPFFBCXOEEEH-NQIIRXRSSA-N 2 1 338.451 3.284 20 10 EGCDMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(OCc3ccccc3)cc1O)C2 ZINC000857226257 1328525044 /nfs/dbraw/zinc/52/50/44/1328525044.db2.gz JGOPFFBCXOEEEH-NQIIRXRSSA-N 2 1 338.451 3.284 20 10 EGCDMP CN(C)c1cc(F)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1F ZINC000858088633 1328679547 /nfs/dbraw/zinc/67/95/47/1328679547.db2.gz MKRQVODIZRLKQU-UHFFFAOYSA-N 2 1 325.447 3.430 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)c2c1 ZINC000840085198 1321025035 /nfs/dbraw/zinc/02/50/35/1321025035.db2.gz BPBWGNUCTYQUBY-OAQYLSRUSA-N 2 1 340.467 3.472 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)c2c1 ZINC000840085198 1321025041 /nfs/dbraw/zinc/02/50/41/1321025041.db2.gz BPBWGNUCTYQUBY-OAQYLSRUSA-N 2 1 340.467 3.472 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)c2c1 ZINC000840085198 1321025046 /nfs/dbraw/zinc/02/50/46/1321025046.db2.gz BPBWGNUCTYQUBY-OAQYLSRUSA-N 2 1 340.467 3.472 20 10 EGCDMP CC[N@H+](Cc1cc(Br)ccc1O)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841009377 1321199488 /nfs/dbraw/zinc/19/94/88/1321199488.db2.gz NVBIQDUEPFKUJG-STQMWFEESA-N 2 1 341.293 3.365 20 10 EGCDMP CN(C)c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000843044147 1321460740 /nfs/dbraw/zinc/46/07/40/1321460740.db2.gz VGWWAUMYDOTUNT-UHFFFAOYSA-N 2 1 341.421 3.488 20 10 EGCDMP CC[C@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)CC[C@H]1[NH3+] ZINC000843052339 1321462034 /nfs/dbraw/zinc/46/20/34/1321462034.db2.gz OWDNYFHGWXLLFW-SMDDNHRTSA-N 2 1 327.266 3.022 20 10 EGCDMP CC[C@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)CC[C@H]1[NH3+] ZINC000843052339 1321462036 /nfs/dbraw/zinc/46/20/36/1321462036.db2.gz OWDNYFHGWXLLFW-SMDDNHRTSA-N 2 1 327.266 3.022 20 10 EGCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C(F)(F)F)c1 ZINC000843058961 1321463697 /nfs/dbraw/zinc/46/36/97/1321463697.db2.gz ANTPAASSIUYVGW-XGWLTEMNSA-N 2 1 341.421 3.331 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1O ZINC000843059264 1321463979 /nfs/dbraw/zinc/46/39/79/1321463979.db2.gz ITIJWUUBPHLNQM-CQDKDKBSSA-N 2 1 339.277 3.022 20 10 EGCDMP Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843125935 1321473908 /nfs/dbraw/zinc/47/39/08/1321473908.db2.gz DAAGTQYIECTSOP-CHWSQXEVSA-N 2 1 326.843 3.396 20 10 EGCDMP Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843125935 1321473913 /nfs/dbraw/zinc/47/39/13/1321473913.db2.gz DAAGTQYIECTSOP-CHWSQXEVSA-N 2 1 326.843 3.396 20 10 EGCDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(CC)c2O)[C@H](C)C1 ZINC000848895311 1322034912 /nfs/dbraw/zinc/03/49/12/1322034912.db2.gz LWWBWEGEFKRICY-VQIMIIECSA-N 2 1 334.504 3.181 20 10 EGCDMP CC[N@H+]1CC[C@H](N(C)Cc2c(O)cccc2Br)C[C@@H]1C ZINC000862248760 1329470730 /nfs/dbraw/zinc/47/07/30/1329470730.db2.gz RAVIZZRRFNCWFI-STQMWFEESA-N 2 1 341.293 3.459 20 10 EGCDMP CCC[N@@H+](Cc1cc(C)cc(Br)c1O)C[C@H]1CC[NH2+]C1 ZINC001236843099 1376966585 /nfs/dbraw/zinc/96/65/85/1376966585.db2.gz KZBUVNKISDNDDD-ZDUSSCGKSA-N 2 1 341.293 3.285 20 10 EGCDMP CCC[N@H+](Cc1cc(C)cc(Br)c1O)C[C@H]1CC[NH2+]C1 ZINC001236843099 1376966589 /nfs/dbraw/zinc/96/65/89/1376966589.db2.gz KZBUVNKISDNDDD-ZDUSSCGKSA-N 2 1 341.293 3.285 20 10 EGCDMP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCC[C@H]1C[NH3+] ZINC001206023302 1370941272 /nfs/dbraw/zinc/94/12/72/1370941272.db2.gz FTRXOXXGPAKUMK-STQMWFEESA-N 2 1 346.393 3.140 20 10 EGCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)CC[C@@H]1F ZINC001206201881 1370991532 /nfs/dbraw/zinc/99/15/32/1370991532.db2.gz ZPENVVYADYVYMV-RBUKOAKNSA-N 2 1 344.430 3.232 20 10 EGCDMP COc1cc(O)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC001206597370 1371104725 /nfs/dbraw/zinc/10/47/25/1371104725.db2.gz BHIVDDWIVXTSFQ-AWEZNQCLSA-N 2 1 326.868 3.407 20 10 EGCDMP COc1cc(O)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC001206597370 1371104726 /nfs/dbraw/zinc/10/47/26/1371104726.db2.gz BHIVDDWIVXTSFQ-AWEZNQCLSA-N 2 1 326.868 3.407 20 10 EGCDMP Cc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(O)cc1Br ZINC001206649062 1371119222 /nfs/dbraw/zinc/11/92/22/1371119222.db2.gz PGQDFCIVFWLYOJ-LBPRGKRZSA-N 2 1 327.266 3.024 20 10 EGCDMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001206755416 1371154943 /nfs/dbraw/zinc/15/49/43/1371154943.db2.gz HFZGPSXZOSWOLE-UHFFFAOYSA-N 2 1 332.394 3.163 20 10 EGCDMP C[N@H+](Cc1cc(O)c(O)cc1O)C1CC[NH+](C2CCCCC2)CC1 ZINC001233487379 1376652906 /nfs/dbraw/zinc/65/29/06/1376652906.db2.gz BCLZIOSRENKOEV-UHFFFAOYSA-N 2 1 334.460 3.032 20 10 EGCDMP C[N@@H+](Cc1cc(O)c(O)cc1O)C1CC[NH+](C2CCCCC2)CC1 ZINC001233487379 1376652912 /nfs/dbraw/zinc/65/29/12/1376652912.db2.gz BCLZIOSRENKOEV-UHFFFAOYSA-N 2 1 334.460 3.032 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C(C)(C)OC)cc2)CC1 ZINC001140304432 1378042934 /nfs/dbraw/zinc/04/29/34/1378042934.db2.gz PCDVSAZFZHCOIS-HXUWFJFHSA-N 2 1 345.531 3.218 20 10 EGCDMP CSCC[C@@H](C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320508720 1386632550 /nfs/dbraw/zinc/63/25/50/1386632550.db2.gz HMSSIOWGVZOTML-OAHLLOKOSA-N 2 1 339.524 3.151 20 10 EGCDMP CSCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320508720 1386632552 /nfs/dbraw/zinc/63/25/52/1386632552.db2.gz HMSSIOWGVZOTML-OAHLLOKOSA-N 2 1 339.524 3.151 20 10 EGCDMP COc1ccc(N2CCC([NH2+][C@H]3CCCC[C@H]3[NH+](C)C)CC2)cc1 ZINC001340525755 1390305678 /nfs/dbraw/zinc/30/56/78/1390305678.db2.gz DNKQDSWLYMLIGE-VQTJNVASSA-N 2 1 331.504 3.126 20 10 EGCDMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000131409635 454251919 /nfs/dbraw/zinc/25/19/19/454251919.db2.gz ZHYZFGDHDJNDLV-MRXNPFEDSA-N 2 1 337.483 3.045 20 10 EGCDMP COc1ccc(O)c(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000180197168 455147215 /nfs/dbraw/zinc/14/72/15/455147215.db2.gz PZEMUDMTLCVOIH-GOSISDBHSA-N 2 1 340.467 3.355 20 10 EGCDMP COc1ccc(O)c(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000180197168 455147218 /nfs/dbraw/zinc/14/72/18/455147218.db2.gz PZEMUDMTLCVOIH-GOSISDBHSA-N 2 1 340.467 3.355 20 10 EGCDMP COc1ccc(O)c(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000180197168 455147220 /nfs/dbraw/zinc/14/72/20/455147220.db2.gz PZEMUDMTLCVOIH-GOSISDBHSA-N 2 1 340.467 3.355 20 10 EGCDMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccccc3O)CC2)nc(C)[nH+]1 ZINC000183545431 455304411 /nfs/dbraw/zinc/30/44/11/455304411.db2.gz IGSUBRGBRYIOFW-AWEZNQCLSA-N 2 1 326.444 3.119 20 10 EGCDMP COc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000192924876 455719248 /nfs/dbraw/zinc/71/92/48/455719248.db2.gz WLCHYHOAZIXRBJ-QGZVFWFLSA-N 2 1 326.440 3.013 20 10 EGCDMP Cc1cc(Br)cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1O ZINC000275399169 456274099 /nfs/dbraw/zinc/27/40/99/456274099.db2.gz ZNWQHBLUSQXQPW-GFCCVEGCSA-N 2 1 339.277 3.376 20 10 EGCDMP CCCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1O ZINC000282531662 456543949 /nfs/dbraw/zinc/54/39/49/456543949.db2.gz VAYZDNDZBBUXEA-UHFFFAOYSA-N 2 1 347.547 3.410 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000378371883 457393370 /nfs/dbraw/zinc/39/33/70/457393370.db2.gz QHHMQJLILVDUHI-PCCBWWKXSA-N 2 1 345.531 3.216 20 10 EGCDMP CC(=O)c1cc(F)cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1O ZINC000376382853 458284058 /nfs/dbraw/zinc/28/40/58/458284058.db2.gz FFWHFEGEFRUALI-UHFFFAOYSA-N 2 1 334.435 3.042 20 10 EGCDMP C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)[C@H]1CC[NH3+] ZINC000404293593 1297749357 /nfs/dbraw/zinc/74/93/57/1297749357.db2.gz WFMDYSZLKPSGTM-FZMZJTMJSA-N 2 1 327.266 3.104 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000756369694 1300477894 /nfs/dbraw/zinc/47/78/94/1300477894.db2.gz UARNUWKQTGDHOD-HNNXBMFYSA-N 2 1 348.487 3.484 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000756369694 1300477899 /nfs/dbraw/zinc/47/78/99/1300477899.db2.gz UARNUWKQTGDHOD-HNNXBMFYSA-N 2 1 348.487 3.484 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000756420109 1300487278 /nfs/dbraw/zinc/48/72/78/1300487278.db2.gz HCPYHUWXGKUYJY-OWCLPIDISA-N 2 1 348.487 3.197 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000756420109 1300487281 /nfs/dbraw/zinc/48/72/81/1300487281.db2.gz HCPYHUWXGKUYJY-OWCLPIDISA-N 2 1 348.487 3.197 20 10 EGCDMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2c1c(F)ccc2O ZINC000756570835 1300524272 /nfs/dbraw/zinc/52/42/72/1300524272.db2.gz BNGKLXWKNIMSKG-KMFMINBZSA-N 2 1 348.462 3.313 20 10 EGCDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(O)c1C ZINC000756573597 1300524439 /nfs/dbraw/zinc/52/44/39/1300524439.db2.gz LAMWQBZUYBMHFK-WMZOPIPTSA-N 2 1 332.488 3.303 20 10 EGCDMP Cc1cc(F)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c(F)c1 ZINC000883283675 1302360727 /nfs/dbraw/zinc/36/07/27/1302360727.db2.gz OCUSFDFETFGILQ-UHFFFAOYSA-N 2 1 345.437 3.315 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000776222289 1304116484 /nfs/dbraw/zinc/11/64/84/1304116484.db2.gz BFZJYRZNSVHFRA-RISCZKNCSA-N 2 1 327.266 3.035 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000776222289 1304116487 /nfs/dbraw/zinc/11/64/87/1304116487.db2.gz BFZJYRZNSVHFRA-RISCZKNCSA-N 2 1 327.266 3.035 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000781896429 1304888034 /nfs/dbraw/zinc/88/80/34/1304888034.db2.gz KSXMWGPWEBCFDV-UHFFFAOYSA-N 2 1 341.293 3.237 20 10 EGCDMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1O ZINC000783489382 1305097868 /nfs/dbraw/zinc/09/78/68/1305097868.db2.gz COPXQJUQFWZYJK-RDJZCZTQSA-N 2 1 345.512 3.093 20 10 EGCDMP COCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000792192858 1309140423 /nfs/dbraw/zinc/14/04/23/1309140423.db2.gz OJGKAAGPVITYKA-WIYYLYMNSA-N 2 1 345.531 3.075 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3cccnc3)cc2)CC1 ZINC000809729273 1317879313 /nfs/dbraw/zinc/87/93/13/1317879313.db2.gz RWIVYJBNACIREV-OAQYLSRUSA-N 2 1 336.483 3.171 20 10 EGCDMP CCOc1cccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1O ZINC000809739046 1317884762 /nfs/dbraw/zinc/88/47/62/1317884762.db2.gz VJDKTLMANOWOMS-UHFFFAOYSA-N 2 1 328.456 3.485 20 10 EGCDMP C[NH+]1CCC2(CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)CC1 ZINC000816598665 1319191657 /nfs/dbraw/zinc/19/16/57/1319191657.db2.gz LBFIIXPUNVRDFD-UHFFFAOYSA-N 2 1 326.843 3.493 20 10 EGCDMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)CC1 ZINC000816598665 1319191664 /nfs/dbraw/zinc/19/16/64/1319191664.db2.gz LBFIIXPUNVRDFD-UHFFFAOYSA-N 2 1 326.843 3.493 20 10 EGCDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)CC1 ZINC000816610835 1319193972 /nfs/dbraw/zinc/19/39/72/1319193972.db2.gz AOZBHPCYZJTMKC-ZDUSSCGKSA-N 2 1 326.843 3.348 20 10 EGCDMP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)CC1 ZINC000816610835 1319193977 /nfs/dbraw/zinc/19/39/77/1319193977.db2.gz AOZBHPCYZJTMKC-ZDUSSCGKSA-N 2 1 326.843 3.348 20 10 EGCDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)CC1 ZINC000816610835 1319193980 /nfs/dbraw/zinc/19/39/80/1319193980.db2.gz AOZBHPCYZJTMKC-ZDUSSCGKSA-N 2 1 326.843 3.348 20 10 EGCDMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000817890871 1319453687 /nfs/dbraw/zinc/45/36/87/1319453687.db2.gz ATTAFCCPJARZEH-JHVJFLLYSA-N 2 1 337.467 3.319 20 10 EGCDMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(Br)cc2O)CC1 ZINC000825622834 1320350659 /nfs/dbraw/zinc/35/06/59/1320350659.db2.gz YQMIJVOVOMWJQG-UHFFFAOYSA-N 2 1 339.277 3.215 20 10 EGCDMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841072086 1321213711 /nfs/dbraw/zinc/21/37/11/1321213711.db2.gz FYQMKDJZEKTKES-GOSISDBHSA-N 2 1 346.475 3.063 20 10 EGCDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000843058500 1321464263 /nfs/dbraw/zinc/46/42/63/1321464263.db2.gz UTFXACYBQLUSQU-DOTOQJQBSA-N 2 1 326.440 3.140 20 10 EGCDMP CCN(CC)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000924709060 1323125472 /nfs/dbraw/zinc/12/54/72/1323125472.db2.gz DJOFMMGFJCLMRR-VCSGRIEYSA-N 2 1 345.531 3.264 20 10 EGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000863646705 1329570056 /nfs/dbraw/zinc/57/00/56/1329570056.db2.gz XTTOPUPYKCCIDA-HOCLYGCPSA-N 2 1 329.410 3.020 20 10 EGCDMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(O)cc1Br ZINC001205666065 1370835247 /nfs/dbraw/zinc/83/52/47/1370835247.db2.gz ZGYPKMKKSMADIN-WCQYABFASA-N 2 1 341.293 3.270 20 10 EGCDMP Oc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001203880864 1370298282 /nfs/dbraw/zinc/29/82/82/1370298282.db2.gz JFPSFAOUPKEIMF-RTBURBONSA-N 2 1 338.451 3.052 20 10 EGCDMP C[C@]1([NH3+])CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001204791754 1370576881 /nfs/dbraw/zinc/57/68/81/1370576881.db2.gz SCIJTTPBYPXZIS-INIZCTEOSA-N 2 1 335.245 3.231 20 10 EGCDMP C[C@]1([NH3+])CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001204791754 1370576884 /nfs/dbraw/zinc/57/68/84/1370576884.db2.gz SCIJTTPBYPXZIS-INIZCTEOSA-N 2 1 335.245 3.231 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)cc2F)CC1 ZINC001116440214 1370911696 /nfs/dbraw/zinc/91/16/96/1370911696.db2.gz BIUHJFWABZKTHE-HKUYNNGSSA-N 2 1 331.479 3.342 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)cc2F)CC1 ZINC001116440214 1370911699 /nfs/dbraw/zinc/91/16/99/1370911699.db2.gz BIUHJFWABZKTHE-HKUYNNGSSA-N 2 1 331.479 3.342 20 10 EGCDMP COc1cc(C[N@H+]2CCC[C@H]2c2ccccn2)cc(C[NH+](C)C)c1O ZINC001139256476 1377858892 /nfs/dbraw/zinc/85/88/92/1377858892.db2.gz CZLFBJLFEURNJO-SFHVURJKSA-N 2 1 341.455 3.195 20 10 EGCDMP CCN(CC)c1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c(O)c1 ZINC001140856677 1378159289 /nfs/dbraw/zinc/15/92/89/1378159289.db2.gz GKWSDSRUZAXGET-UHFFFAOYSA-N 2 1 331.504 3.297 20 10 EGCDMP CCN(CC)c1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c(O)c1 ZINC001140856677 1378159290 /nfs/dbraw/zinc/15/92/90/1378159290.db2.gz GKWSDSRUZAXGET-UHFFFAOYSA-N 2 1 331.504 3.297 20 10 EGCDMP Cc1ccc(C[N@H+]2CCc3c(CN(C)C)nn(C(C)C)c3C2)c(O)c1 ZINC001140952442 1378192134 /nfs/dbraw/zinc/19/21/34/1378192134.db2.gz SBVWKGWCEYHEQS-UHFFFAOYSA-N 2 1 342.487 3.098 20 10 EGCDMP Cc1ccc(CN2CCc3c(CN(C)C)nn(C(C)C)c3C2)c(O)c1 ZINC001140952442 1378192137 /nfs/dbraw/zinc/19/21/37/1378192137.db2.gz SBVWKGWCEYHEQS-UHFFFAOYSA-N 2 1 342.487 3.098 20 10 EGCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@@H]2C1 ZINC001141078300 1378234120 /nfs/dbraw/zinc/23/41/20/1378234120.db2.gz QRVOICBTRNPQEZ-OYRHEFFESA-N 2 1 339.527 3.159 20 10 EGCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@@H]2C1 ZINC001141078300 1378234122 /nfs/dbraw/zinc/23/41/22/1378234122.db2.gz QRVOICBTRNPQEZ-OYRHEFFESA-N 2 1 339.527 3.159 20 10 EGCDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141142770 1378248293 /nfs/dbraw/zinc/24/82/93/1378248293.db2.gz ANZHQUQKPOSUIE-UHFFFAOYSA-N 2 1 331.504 3.067 20 10 EGCDMP Cc1c[nH+]c(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c(N)c1 ZINC001155641352 1380477707 /nfs/dbraw/zinc/47/77/07/1380477707.db2.gz ZXLKKODVQCVDJL-ONCXSQPRSA-N 2 1 338.499 3.372 20 10 EGCDMP Cc1c[nH+]c(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c(N)c1 ZINC001155641352 1380477709 /nfs/dbraw/zinc/47/77/09/1380477709.db2.gz ZXLKKODVQCVDJL-ONCXSQPRSA-N 2 1 338.499 3.372 20 10 EGCDMP Cc1cc2cc[nH+]c(NCc3ccc(N4CC[NH+](C)CC4)cc3)c2[nH]1 ZINC001167426481 1383630759 /nfs/dbraw/zinc/63/07/59/1383630759.db2.gz GNUSYDAPJKIQQV-UHFFFAOYSA-N 2 1 335.455 3.235 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+](CC3CC3)C3CCC3)cc2F)CC1 ZINC001321047382 1386793358 /nfs/dbraw/zinc/79/33/58/1386793358.db2.gz SIGJFKWPHHTLSZ-UHFFFAOYSA-N 2 1 331.479 3.342 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CC3CC3)C3CCC3)cc2F)CC1 ZINC001321047382 1386793361 /nfs/dbraw/zinc/79/33/61/1386793361.db2.gz SIGJFKWPHHTLSZ-UHFFFAOYSA-N 2 1 331.479 3.342 20 10 EGCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1[O-] ZINC001329490398 1389130379 /nfs/dbraw/zinc/13/03/79/1389130379.db2.gz KBGJJDOALDTTJE-UHFFFAOYSA-N 2 1 336.863 3.214 20 10 EGCDMP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1O ZINC001329490398 1389130382 /nfs/dbraw/zinc/13/03/82/1389130382.db2.gz KBGJJDOALDTTJE-UHFFFAOYSA-N 2 1 336.863 3.214 20 10 EGCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1O ZINC001329490398 1389130384 /nfs/dbraw/zinc/13/03/84/1389130384.db2.gz KBGJJDOALDTTJE-UHFFFAOYSA-N 2 1 336.863 3.214 20 10 EGCDMP C[N@H+]1CCC[C@H]2CN(Cc3cc(Br)ccc3O)CC[C@@H]21 ZINC000156094280 455081509 /nfs/dbraw/zinc/08/15/09/455081509.db2.gz TUYPNQAMPWNAKI-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Br)ccc3O)CC[C@@H]21 ZINC000156094280 455081510 /nfs/dbraw/zinc/08/15/10/455081510.db2.gz TUYPNQAMPWNAKI-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Br)ccc3O)CC[C@@H]21 ZINC000156094280 455081512 /nfs/dbraw/zinc/08/15/12/455081512.db2.gz TUYPNQAMPWNAKI-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP Cc1ccncc1CCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000289124598 456116013 /nfs/dbraw/zinc/11/60/13/456116013.db2.gz NXXNFWOJIWAOOZ-UHFFFAOYSA-N 2 1 339.483 3.291 20 10 EGCDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000283690444 456824232 /nfs/dbraw/zinc/82/42/32/456824232.db2.gz ADMYLCOQOXOYIL-SFHVURJKSA-N 2 1 333.520 3.077 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843052018 1321461727 /nfs/dbraw/zinc/46/17/27/1321461727.db2.gz OCJHYFUBQBKJIP-RYUDHWBXSA-N 2 1 327.266 3.022 20 10 EGCDMP COc1ccc(N2CCC([NH2+][C@H](C)C[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000151961534 1293946429 /nfs/dbraw/zinc/94/64/29/1293946429.db2.gz VMTUFVLCZNACJW-ZWKOTPCHSA-N 2 1 345.531 3.374 20 10 EGCDMP COc1ccc(N2CCC([NH2+][C@H](C)C[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000151961534 1293946431 /nfs/dbraw/zinc/94/64/31/1293946431.db2.gz VMTUFVLCZNACJW-ZWKOTPCHSA-N 2 1 345.531 3.374 20 10 EGCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1O ZINC000883290261 1302370052 /nfs/dbraw/zinc/37/00/52/1302370052.db2.gz PNAPMECGNHYFQW-HNNXBMFYSA-N 2 1 343.446 3.134 20 10 EGCDMP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1c(O)cccc1F ZINC000886542640 1303492607 /nfs/dbraw/zinc/49/26/07/1303492607.db2.gz CWBFVSQWYHNNJE-CQSZACIVSA-N 2 1 329.419 3.494 20 10 EGCDMP CCN(C)c1ccc(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)cc1 ZINC000773754314 1303735510 /nfs/dbraw/zinc/73/55/10/1303735510.db2.gz LXJBOIANDUFQSJ-HXUWFJFHSA-N 2 1 333.520 3.075 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC12CCC2 ZINC000779604142 1304586432 /nfs/dbraw/zinc/58/64/32/1304586432.db2.gz IHAIQORPCGWZBN-SFHVURJKSA-N 2 1 327.516 3.451 20 10 EGCDMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858491000 1328778141 /nfs/dbraw/zinc/77/81/41/1328778141.db2.gz UYGPGQQVJRJBOI-IAGOWNOFSA-N 2 1 349.494 3.045 20 10 EGCDMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000817890872 1319453143 /nfs/dbraw/zinc/45/31/43/1319453143.db2.gz ATTAFCCPJARZEH-ONGXBYRLSA-N 2 1 337.467 3.319 20 10 EGCDMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934840 1320372115 /nfs/dbraw/zinc/37/21/15/1320372115.db2.gz LKCTZPRLGBWOAD-KBXCAEBGSA-N 2 1 334.504 3.470 20 10 EGCDMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934840 1320372119 /nfs/dbraw/zinc/37/21/19/1320372119.db2.gz LKCTZPRLGBWOAD-KBXCAEBGSA-N 2 1 334.504 3.470 20 10 EGCDMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934840 1320372121 /nfs/dbraw/zinc/37/21/21/1320372121.db2.gz LKCTZPRLGBWOAD-KBXCAEBGSA-N 2 1 334.504 3.470 20 10 EGCDMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934840 1320372125 /nfs/dbraw/zinc/37/21/25/1320372125.db2.gz LKCTZPRLGBWOAD-KBXCAEBGSA-N 2 1 334.504 3.470 20 10 EGCDMP CC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000843050177 1321460884 /nfs/dbraw/zinc/46/08/84/1321460884.db2.gz ALQCOKMGPWRAMK-DLBZAZTESA-N 2 1 346.475 3.144 20 10 EGCDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000843050177 1321460887 /nfs/dbraw/zinc/46/08/87/1321460887.db2.gz ALQCOKMGPWRAMK-DLBZAZTESA-N 2 1 346.475 3.144 20 10 EGCDMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1[NH3+] ZINC000843051439 1321461940 /nfs/dbraw/zinc/46/19/40/1321461940.db2.gz HTVFUPYJQYXUKL-HNAYVOBHSA-N 2 1 326.440 3.140 20 10 EGCDMP CC[N@H+]1CC[C@@H](N(C)Cc2c(O)cccc2Br)C[C@H]1C ZINC000862248757 1329470844 /nfs/dbraw/zinc/47/08/44/1329470844.db2.gz RAVIZZRRFNCWFI-CHWSQXEVSA-N 2 1 341.293 3.459 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206641497 1371116239 /nfs/dbraw/zinc/11/62/39/1371116239.db2.gz YENKPXWQCFCPTE-LBPRGKRZSA-N 2 1 327.266 3.024 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206641497 1371116241 /nfs/dbraw/zinc/11/62/41/1371116241.db2.gz YENKPXWQCFCPTE-LBPRGKRZSA-N 2 1 327.266 3.024 20 10 EGCDMP COc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c(O)c1 ZINC001203622325 1370190233 /nfs/dbraw/zinc/19/02/33/1370190233.db2.gz YCOGZMLPXSZMOJ-IYBDPMFKSA-N 2 1 344.480 3.026 20 10 EGCDMP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001203622325 1370190237 /nfs/dbraw/zinc/19/02/37/1370190237.db2.gz YCOGZMLPXSZMOJ-IYBDPMFKSA-N 2 1 344.480 3.026 20 10 EGCDMP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001203622325 1370190239 /nfs/dbraw/zinc/19/02/39/1370190239.db2.gz YCOGZMLPXSZMOJ-IYBDPMFKSA-N 2 1 344.480 3.026 20 10 EGCDMP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001203622325 1370190242 /nfs/dbraw/zinc/19/02/42/1370190242.db2.gz YCOGZMLPXSZMOJ-IYBDPMFKSA-N 2 1 344.480 3.026 20 10 EGCDMP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001203622325 1370190245 /nfs/dbraw/zinc/19/02/45/1370190245.db2.gz YCOGZMLPXSZMOJ-IYBDPMFKSA-N 2 1 344.480 3.026 20 10 EGCDMP Oc1cc2c(cc1C[N@H+]1CCc3ccc(Cl)cc3C1)C[NH2+]CCO2 ZINC001204853963 1370590993 /nfs/dbraw/zinc/59/09/93/1370590993.db2.gz DVTLHYPAUCFELF-UHFFFAOYSA-N 2 1 344.842 3.086 20 10 EGCDMP [NH3+][C@H]1CCC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001204885413 1370597014 /nfs/dbraw/zinc/59/70/14/1370597014.db2.gz UIVJRUTXWLIRBG-ZDUSSCGKSA-N 2 1 335.245 3.231 20 10 EGCDMP [NH3+][C@H]1CCC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001204885413 1370597017 /nfs/dbraw/zinc/59/70/17/1370597017.db2.gz UIVJRUTXWLIRBG-ZDUSSCGKSA-N 2 1 335.245 3.231 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205651409 1370829332 /nfs/dbraw/zinc/82/93/32/1370829332.db2.gz DXYPFTFSDMVPPM-CHWSQXEVSA-N 2 1 341.293 3.270 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205651409 1370829337 /nfs/dbraw/zinc/82/93/37/1370829337.db2.gz DXYPFTFSDMVPPM-CHWSQXEVSA-N 2 1 341.293 3.270 20 10 EGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001116564888 1370937180 /nfs/dbraw/zinc/93/71/80/1370937180.db2.gz AKKBLMRLRZNZMC-BPQIPLTHSA-N 2 1 344.499 3.482 20 10 EGCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001206317538 1371020043 /nfs/dbraw/zinc/02/00/43/1371020043.db2.gz GRRINAPNFOEZLF-HNNXBMFYSA-N 2 1 332.366 3.242 20 10 EGCDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001206556478 1371092202 /nfs/dbraw/zinc/09/22/02/1371092202.db2.gz SSKKBQXADRGLQJ-NRFANRHFSA-N 2 1 327.516 3.336 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1O ZINC001206633112 1371114741 /nfs/dbraw/zinc/11/47/41/1371114741.db2.gz SZGGEKBQNBSKSA-LBPRGKRZSA-N 2 1 327.266 3.024 20 10 EGCDMP Oc1cc(Cl)c(F)cc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702375 1376884237 /nfs/dbraw/zinc/88/42/37/1376884237.db2.gz JBCMDBHBTJKMEN-UHFFFAOYSA-N 2 1 326.843 3.396 20 10 EGCDMP COc1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc(C[NH+](C)C)c1O ZINC001139252859 1377858822 /nfs/dbraw/zinc/85/88/22/1377858822.db2.gz BYIBYQMRMREMQC-GOSISDBHSA-N 2 1 340.467 3.452 20 10 EGCDMP Cc1c(O)ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c1O ZINC001140745102 1378128451 /nfs/dbraw/zinc/12/84/51/1378128451.db2.gz VTPUYHREFDQTIP-UHFFFAOYSA-N 2 1 330.472 3.247 20 10 EGCDMP Cc1c(O)ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c1O ZINC001140745102 1378128453 /nfs/dbraw/zinc/12/84/53/1378128453.db2.gz VTPUYHREFDQTIP-UHFFFAOYSA-N 2 1 330.472 3.247 20 10 EGCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)cc1O)C2 ZINC001172113374 1384731607 /nfs/dbraw/zinc/73/16/07/1384731607.db2.gz GPZIMKDSAAELFD-QDMKHBRRSA-N 2 1 339.277 3.260 20 10 EGCDMP C[C@H](CCc1ccco1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318338664 1385654625 /nfs/dbraw/zinc/65/46/25/1385654625.db2.gz CBJQBJXZYXKDEQ-MRXNPFEDSA-N 2 1 345.462 3.281 20 10 EGCDMP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)s1 ZINC001348550420 1391236016 /nfs/dbraw/zinc/23/60/16/1391236016.db2.gz UTDDEYGZMXLYPS-CYBMUJFWSA-N 2 1 348.491 3.193 20 10 EGCDMP COC1CCN(c2ccc(C[NH+]3CCC([NH2+]C(C)C)CC3)cc2)CC1 ZINC000294847198 455829699 /nfs/dbraw/zinc/82/96/99/455829699.db2.gz BRTBODYLRJUJJR-UHFFFAOYSA-N 2 1 345.531 3.264 20 10 EGCDMP Cc1cc(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1O ZINC000290320582 456290693 /nfs/dbraw/zinc/29/06/93/456290693.db2.gz CYHSZPVKBRXJQL-DOMZBBRYSA-N 2 1 341.293 3.235 20 10 EGCDMP Cc1cc(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1O ZINC000290320582 456290697 /nfs/dbraw/zinc/29/06/97/456290697.db2.gz CYHSZPVKBRXJQL-DOMZBBRYSA-N 2 1 341.293 3.235 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290320582 456290703 /nfs/dbraw/zinc/29/07/03/456290703.db2.gz CYHSZPVKBRXJQL-DOMZBBRYSA-N 2 1 341.293 3.235 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290320582 456290707 /nfs/dbraw/zinc/29/07/07/456290707.db2.gz CYHSZPVKBRXJQL-DOMZBBRYSA-N 2 1 341.293 3.235 20 10 EGCDMP COc1cccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000311188447 456587998 /nfs/dbraw/zinc/58/79/98/456587998.db2.gz DFUGKKUXKVEERU-NRFANRHFSA-N 2 1 340.467 3.403 20 10 EGCDMP COc1ccc(N2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000363880746 457459457 /nfs/dbraw/zinc/45/94/57/457459457.db2.gz XZTXAKDOTMCXQY-SFHVURJKSA-N 2 1 331.504 3.082 20 10 EGCDMP COc1ccc(N2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000363880746 457459462 /nfs/dbraw/zinc/45/94/62/457459462.db2.gz XZTXAKDOTMCXQY-SFHVURJKSA-N 2 1 331.504 3.082 20 10 EGCDMP O=[N+]([O-])c1cc(C[NH2+]CCC[NH+]2CCCC2)ccc1N1CCCCC1 ZINC000726705158 574567395 /nfs/dbraw/zinc/56/73/95/574567395.db2.gz DWCPCLDQTKFHDR-UHFFFAOYSA-N 2 1 346.475 3.161 20 10 EGCDMP [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000827949860 1292410848 /nfs/dbraw/zinc/41/08/48/1292410848.db2.gz OKSQYQKUDGJJMG-ZDUSSCGKSA-N 2 1 326.843 3.396 20 10 EGCDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000129295937 1293620381 /nfs/dbraw/zinc/62/03/81/1293620381.db2.gz AXPKSFXZFHTHPQ-PBHICJAKSA-N 2 1 332.488 3.311 20 10 EGCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000129295937 1293620387 /nfs/dbraw/zinc/62/03/87/1293620387.db2.gz AXPKSFXZFHTHPQ-PBHICJAKSA-N 2 1 332.488 3.311 20 10 EGCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000129295937 1293620393 /nfs/dbraw/zinc/62/03/93/1293620393.db2.gz AXPKSFXZFHTHPQ-PBHICJAKSA-N 2 1 332.488 3.311 20 10 EGCDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000153783567 1294028276 /nfs/dbraw/zinc/02/82/76/1294028276.db2.gz YMLIRZNPAGGNOI-GOSISDBHSA-N 2 1 333.520 3.296 20 10 EGCDMP C[N@H+](Cc1cc(F)ccc1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180139398 1294861863 /nfs/dbraw/zinc/86/18/63/1294861863.db2.gz ODVMNRWOAJTDRU-KRWDZBQOSA-N 2 1 328.431 3.485 20 10 EGCDMP C[NH+](Cc1cc(F)ccc1O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180139398 1294861871 /nfs/dbraw/zinc/86/18/71/1294861871.db2.gz ODVMNRWOAJTDRU-KRWDZBQOSA-N 2 1 328.431 3.485 20 10 EGCDMP C[NH+](Cc1cc(F)ccc1O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180139398 1294861882 /nfs/dbraw/zinc/86/18/82/1294861882.db2.gz ODVMNRWOAJTDRU-KRWDZBQOSA-N 2 1 328.431 3.485 20 10 EGCDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c(O)ccc3ccncc32)C1 ZINC000746384598 1298578128 /nfs/dbraw/zinc/57/81/28/1298578128.db2.gz ZIHZUXRXVKANFB-INIZCTEOSA-N 2 1 325.456 3.104 20 10 EGCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000746384598 1298578138 /nfs/dbraw/zinc/57/81/38/1298578138.db2.gz ZIHZUXRXVKANFB-INIZCTEOSA-N 2 1 325.456 3.104 20 10 EGCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000746384598 1298578145 /nfs/dbraw/zinc/57/81/45/1298578145.db2.gz ZIHZUXRXVKANFB-INIZCTEOSA-N 2 1 325.456 3.104 20 10 EGCDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(O)c1C ZINC000756573590 1300524186 /nfs/dbraw/zinc/52/41/86/1300524186.db2.gz LAMWQBZUYBMHFK-FUHWJXTLSA-N 2 1 332.488 3.303 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000756572601 1300524295 /nfs/dbraw/zinc/52/42/95/1300524295.db2.gz GXPDOUXNSKXQLA-MRXNPFEDSA-N 2 1 348.487 3.486 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000756630986 1300536593 /nfs/dbraw/zinc/53/65/93/1300536593.db2.gz WTQVUUCMYIDZAS-OAHLLOKOSA-N 2 1 336.476 3.338 20 10 EGCDMP COc1ccc(N2CCC([NH2+][C@@H](C)C[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000765302151 1302241914 /nfs/dbraw/zinc/24/19/14/1302241914.db2.gz VMTUFVLCZNACJW-ROUUACIJSA-N 2 1 345.531 3.374 20 10 EGCDMP COc1ccc(N2CCC([NH2+][C@@H](C)C[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000765302151 1302241924 /nfs/dbraw/zinc/24/19/24/1302241924.db2.gz VMTUFVLCZNACJW-ROUUACIJSA-N 2 1 345.531 3.374 20 10 EGCDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)CCCC4)C2)CC1 ZINC000768465030 1302913239 /nfs/dbraw/zinc/91/32/39/1302913239.db2.gz KAXVCPWIZAIHHD-LJQANCHMSA-N 2 1 328.500 3.435 20 10 EGCDMP CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1(C)C ZINC000775735487 1304024118 /nfs/dbraw/zinc/02/41/18/1304024118.db2.gz PONGRZLZUCRRIH-CTNGQTDRSA-N 2 1 345.531 3.074 20 10 EGCDMP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(O)c1OC ZINC000893488836 1305922596 /nfs/dbraw/zinc/92/25/96/1305922596.db2.gz UGWQMVVMFVBHFT-ZBFHGGJFSA-N 2 1 348.487 3.152 20 10 EGCDMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000792920531 1309260439 /nfs/dbraw/zinc/26/04/39/1309260439.db2.gz ZDNSLOUOIOTXNZ-GDBMZVCRSA-N 2 1 341.421 3.488 20 10 EGCDMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000792920531 1309260442 /nfs/dbraw/zinc/26/04/42/1309260442.db2.gz ZDNSLOUOIOTXNZ-GDBMZVCRSA-N 2 1 341.421 3.488 20 10 EGCDMP C[C@@H](CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000895299036 1309274624 /nfs/dbraw/zinc/27/46/24/1309274624.db2.gz GLKRHVDEIZPMKG-HNNXBMFYSA-N 2 1 334.464 3.015 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3ccncc3)cc2)CC1 ZINC000809728995 1317880423 /nfs/dbraw/zinc/88/04/23/1317880423.db2.gz NUPRGEOIDUBOAN-OAQYLSRUSA-N 2 1 336.483 3.171 20 10 EGCDMP CSC[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000814178867 1318690736 /nfs/dbraw/zinc/69/07/36/1318690736.db2.gz GOSMTBFHLZFOPF-SFHVURJKSA-N 2 1 333.545 3.013 20 10 EGCDMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Br)cc2O)C1 ZINC000825935601 1320373245 /nfs/dbraw/zinc/37/32/45/1320373245.db2.gz YLLGZRMJPNCKGK-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Br)cc2O)C1 ZINC000825935601 1320373250 /nfs/dbraw/zinc/37/32/50/1320373250.db2.gz YLLGZRMJPNCKGK-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Br)cc2O)C1 ZINC000825935601 1320373253 /nfs/dbraw/zinc/37/32/53/1320373253.db2.gz YLLGZRMJPNCKGK-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(Br)cc2O)C1 ZINC000825935601 1320373258 /nfs/dbraw/zinc/37/32/58/1320373258.db2.gz YLLGZRMJPNCKGK-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)c2c1 ZINC000840085197 1321024971 /nfs/dbraw/zinc/02/49/71/1321024971.db2.gz BPBWGNUCTYQUBY-NRFANRHFSA-N 2 1 340.467 3.472 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)c2c1 ZINC000840085197 1321024975 /nfs/dbraw/zinc/02/49/75/1321024975.db2.gz BPBWGNUCTYQUBY-NRFANRHFSA-N 2 1 340.467 3.472 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)c2c1 ZINC000840085197 1321024979 /nfs/dbraw/zinc/02/49/79/1321024979.db2.gz BPBWGNUCTYQUBY-NRFANRHFSA-N 2 1 340.467 3.472 20 10 EGCDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000840975895 1321192095 /nfs/dbraw/zinc/19/20/95/1321192095.db2.gz MCTIVDHSKNQNAS-HNNXBMFYSA-N 2 1 346.544 3.300 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)c1O ZINC000841087797 1321216654 /nfs/dbraw/zinc/21/66/54/1321216654.db2.gz PXRXSQXZHHJWKZ-AWEZNQCLSA-N 2 1 327.266 3.070 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1C[NH3+] ZINC000841101715 1321219036 /nfs/dbraw/zinc/21/90/36/1321219036.db2.gz ZPQWMNGKSOIMGP-APWZRJJASA-N 2 1 340.467 3.388 20 10 EGCDMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843123820 1321473081 /nfs/dbraw/zinc/47/30/81/1321473081.db2.gz PYTKTJDJUWOHKV-QGZVFWFLSA-N 2 1 346.475 3.288 20 10 EGCDMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843123820 1321473083 /nfs/dbraw/zinc/47/30/83/1321473083.db2.gz PYTKTJDJUWOHKV-QGZVFWFLSA-N 2 1 346.475 3.288 20 10 EGCDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000863646939 1329570377 /nfs/dbraw/zinc/57/03/77/1329570377.db2.gz SDEAGKIADIXDAH-WBVHZDCISA-N 2 1 343.437 3.492 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000863646939 1329570379 /nfs/dbraw/zinc/57/03/79/1329570379.db2.gz SDEAGKIADIXDAH-WBVHZDCISA-N 2 1 343.437 3.492 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1Br ZINC001206806229 1371175071 /nfs/dbraw/zinc/17/50/71/1371175071.db2.gz GICVWWZPKZHPKI-VXGBXAGGSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(O)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1Br ZINC001206806229 1371175074 /nfs/dbraw/zinc/17/50/74/1371175074.db2.gz GICVWWZPKZHPKI-VXGBXAGGSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1O ZINC001205288961 1370708369 /nfs/dbraw/zinc/70/83/69/1370708369.db2.gz QSBSKBWXDDQPIZ-HNNXBMFYSA-N 2 1 327.266 3.166 20 10 EGCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)CCC1(F)F ZINC001205789216 1370870902 /nfs/dbraw/zinc/87/09/02/1370870902.db2.gz XPEQPLKQJTWKDB-MRXNPFEDSA-N 2 1 332.394 3.475 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1O ZINC001206563259 1371094628 /nfs/dbraw/zinc/09/46/28/1371094628.db2.gz AKLCAXNFOFMKJM-MRXNPFEDSA-N 2 1 341.293 3.414 20 10 EGCDMP Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272338 1373823074 /nfs/dbraw/zinc/82/30/74/1373823074.db2.gz RLXYGYCROKWRRR-MRXNPFEDSA-N 2 1 328.378 3.377 20 10 EGCDMP COc1cc(C[N@H+]2CCc3cc(C)ccc3C2)cc(C[NH+](C)C)c1O ZINC001139260656 1377859346 /nfs/dbraw/zinc/85/93/46/1377859346.db2.gz OJBSIQCMFUFUPS-UHFFFAOYSA-N 2 1 340.467 3.329 20 10 EGCDMP COC1CC[NH+](C2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)CC1 ZINC001139674184 1377931396 /nfs/dbraw/zinc/93/13/96/1377931396.db2.gz UDFIPZGGBJMHGY-UHFFFAOYSA-N 2 1 345.531 3.136 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@](C)(F)[C@H](F)C3)cc2)CC1 ZINC001140302655 1378042818 /nfs/dbraw/zinc/04/28/18/1378042818.db2.gz WZBKEOUNNKQABZ-MOPGFXCFSA-N 2 1 337.458 3.101 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)(F)[C@H](F)C3)cc2)CC1 ZINC001140302655 1378042819 /nfs/dbraw/zinc/04/28/19/1378042819.db2.gz WZBKEOUNNKQABZ-MOPGFXCFSA-N 2 1 337.458 3.101 20 10 EGCDMP C[N@H+]1CCCC2(CC[NH+](Cc3c(O)ccc(F)c3Cl)CC2)C1 ZINC001276837896 1378188718 /nfs/dbraw/zinc/18/87/18/1378188718.db2.gz RXKZUUJFNCCIIR-UHFFFAOYSA-N 2 1 326.843 3.493 20 10 EGCDMP C[NH+]1CCC2(CC[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)C2)CC1 ZINC001141078235 1378234130 /nfs/dbraw/zinc/23/41/30/1378234130.db2.gz PYQBKIPZJXSTOF-UHFFFAOYSA-N 2 1 339.527 3.303 20 10 EGCDMP Oc1ccc(O)c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001141161320 1378254317 /nfs/dbraw/zinc/25/43/17/1378254317.db2.gz DRNQXJUVBAVPLP-IEBWSBKVSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(O)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001141161320 1378254320 /nfs/dbraw/zinc/25/43/20/1378254320.db2.gz DRNQXJUVBAVPLP-IEBWSBKVSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(O)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001141161320 1378254327 /nfs/dbraw/zinc/25/43/27/1378254327.db2.gz DRNQXJUVBAVPLP-IEBWSBKVSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(O)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001141161320 1378254330 /nfs/dbraw/zinc/25/43/30/1378254330.db2.gz DRNQXJUVBAVPLP-IEBWSBKVSA-N 2 1 338.451 3.052 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4cccc(F)c4C3)cc2)CC1 ZINC001319814929 1386311785 /nfs/dbraw/zinc/31/17/85/1386311785.db2.gz ZFOHXXANFFKCEA-UHFFFAOYSA-N 2 1 339.458 3.136 20 10 EGCDMP CSCC[C@H](C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320508717 1386632032 /nfs/dbraw/zinc/63/20/32/1386632032.db2.gz HMSSIOWGVZOTML-HNNXBMFYSA-N 2 1 339.524 3.151 20 10 EGCDMP CSCC[C@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320508717 1386632034 /nfs/dbraw/zinc/63/20/34/1386632034.db2.gz HMSSIOWGVZOTML-HNNXBMFYSA-N 2 1 339.524 3.151 20 10 EGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC001321024280 1386786016 /nfs/dbraw/zinc/78/60/16/1386786016.db2.gz RGICZPJNDCBENF-AEFFLSMTSA-N 2 1 345.531 3.112 20 10 EGCDMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1O ZINC000157931465 455250744 /nfs/dbraw/zinc/25/07/44/455250744.db2.gz ROOPKXYTFLOMCN-AZUAARDMSA-N 2 1 340.467 3.200 20 10 EGCDMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000154814300 454932311 /nfs/dbraw/zinc/93/23/11/454932311.db2.gz RIQYZVGEROELPS-SFHVURJKSA-N 2 1 345.531 3.438 20 10 EGCDMP COc1ccc(N2CC[NH+](CCCNc3cc(C)cc[nH+]3)CC2)cc1 ZINC000301616370 456163554 /nfs/dbraw/zinc/16/35/54/456163554.db2.gz AEKUINQMCQVZPK-UHFFFAOYSA-N 2 1 340.471 3.023 20 10 EGCDMP CCCOc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000290590803 456375969 /nfs/dbraw/zinc/37/59/69/456375969.db2.gz VFJCLHXBKPVBDY-QGZVFWFLSA-N 2 1 332.488 3.345 20 10 EGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000186520038 547131006 /nfs/dbraw/zinc/13/10/06/547131006.db2.gz ZPADYGISRLJBSQ-APWZRJJASA-N 2 1 340.467 3.118 20 10 EGCDMP Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000742169935 576754849 /nfs/dbraw/zinc/75/48/49/576754849.db2.gz VFCMCUABSFQPDC-INIZCTEOSA-N 2 1 325.456 3.248 20 10 EGCDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000152034646 1293951213 /nfs/dbraw/zinc/95/12/13/1293951213.db2.gz HMEFGQNGHDYZIQ-HZPDHXFCSA-N 2 1 346.471 3.207 20 10 EGCDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000152034646 1293951218 /nfs/dbraw/zinc/95/12/18/1293951218.db2.gz HMEFGQNGHDYZIQ-HZPDHXFCSA-N 2 1 346.471 3.207 20 10 EGCDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000152034646 1293951221 /nfs/dbraw/zinc/95/12/21/1293951221.db2.gz HMEFGQNGHDYZIQ-HZPDHXFCSA-N 2 1 346.471 3.207 20 10 EGCDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000152034646 1293951226 /nfs/dbraw/zinc/95/12/26/1293951226.db2.gz HMEFGQNGHDYZIQ-HZPDHXFCSA-N 2 1 346.471 3.207 20 10 EGCDMP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(O)cc1C ZINC000245513675 1296310161 /nfs/dbraw/zinc/31/01/61/1296310161.db2.gz DIHFFPCDYQKTTG-YJBOKZPZSA-N 2 1 330.472 3.158 20 10 EGCDMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(O)cc1C ZINC000245513675 1296310176 /nfs/dbraw/zinc/31/01/76/1296310176.db2.gz DIHFFPCDYQKTTG-YJBOKZPZSA-N 2 1 330.472 3.158 20 10 EGCDMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(O)cc1C ZINC000245513675 1296310192 /nfs/dbraw/zinc/31/01/92/1296310192.db2.gz DIHFFPCDYQKTTG-YJBOKZPZSA-N 2 1 330.472 3.158 20 10 EGCDMP COc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1O ZINC000245573161 1296315037 /nfs/dbraw/zinc/31/50/37/1296315037.db2.gz YTWWRUWCNVDKBN-SJORKVTESA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1O ZINC000245573161 1296315054 /nfs/dbraw/zinc/31/50/54/1296315054.db2.gz YTWWRUWCNVDKBN-SJORKVTESA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1O ZINC000245573161 1296315069 /nfs/dbraw/zinc/31/50/69/1296315069.db2.gz YTWWRUWCNVDKBN-SJORKVTESA-N 2 1 332.488 3.487 20 10 EGCDMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000715542425 1298279891 /nfs/dbraw/zinc/27/98/91/1298279891.db2.gz LDHHIRBEGPOSCH-NEPJUHHUSA-N 2 1 327.266 3.117 20 10 EGCDMP COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000769147269 1303055668 /nfs/dbraw/zinc/05/56/68/1303055668.db2.gz DKNFWJMXKGNQLC-KRWDZBQOSA-N 2 1 332.488 3.345 20 10 EGCDMP COc1cccc(O)c1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000769147269 1303055676 /nfs/dbraw/zinc/05/56/76/1303055676.db2.gz DKNFWJMXKGNQLC-KRWDZBQOSA-N 2 1 332.488 3.345 20 10 EGCDMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1O ZINC000783489374 1305098339 /nfs/dbraw/zinc/09/83/39/1305098339.db2.gz COPXQJUQFWZYJK-DOTOQJQBSA-N 2 1 345.512 3.093 20 10 EGCDMP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc(OCc3ccccc3)cc1O)C2 ZINC000857226258 1328525002 /nfs/dbraw/zinc/52/50/02/1328525002.db2.gz JGOPFFBCXOEEEH-RXVVDRJESA-N 2 1 338.451 3.284 20 10 EGCDMP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc(OCc3ccccc3)cc1O)C2 ZINC000857226258 1328525003 /nfs/dbraw/zinc/52/50/03/1328525003.db2.gz JGOPFFBCXOEEEH-RXVVDRJESA-N 2 1 338.451 3.284 20 10 EGCDMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000858127672 1328689096 /nfs/dbraw/zinc/68/90/96/1328689096.db2.gz MEDULWVQYQXTEX-CQSZACIVSA-N 2 1 325.447 3.241 20 10 EGCDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000858127672 1328689099 /nfs/dbraw/zinc/68/90/99/1328689099.db2.gz MEDULWVQYQXTEX-CQSZACIVSA-N 2 1 325.447 3.241 20 10 EGCDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903733091 1317727383 /nfs/dbraw/zinc/72/73/83/1317727383.db2.gz JNQCJVFGKDSWKE-HXUWFJFHSA-N 2 1 345.531 3.123 20 10 EGCDMP Cc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(O)c1 ZINC000815579962 1319020538 /nfs/dbraw/zinc/02/05/38/1319020538.db2.gz ZQNFLOWTWQNGAA-AEFFLSMTSA-N 2 1 332.488 3.303 20 10 EGCDMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000916835382 1319711942 /nfs/dbraw/zinc/71/19/42/1319711942.db2.gz YEHJICILEKWZDW-KRWDZBQOSA-N 2 1 346.475 3.017 20 10 EGCDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000916835382 1319711947 /nfs/dbraw/zinc/71/19/47/1319711947.db2.gz YEHJICILEKWZDW-KRWDZBQOSA-N 2 1 346.475 3.017 20 10 EGCDMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843053193 1321461958 /nfs/dbraw/zinc/46/19/58/1321461958.db2.gz YZWJULSYCOSYFW-CHWSQXEVSA-N 2 1 329.410 3.331 20 10 EGCDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843053193 1321461960 /nfs/dbraw/zinc/46/19/60/1321461960.db2.gz YZWJULSYCOSYFW-CHWSQXEVSA-N 2 1 329.410 3.331 20 10 EGCDMP [NH3+]CCC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1CCCC1 ZINC000843123158 1321473223 /nfs/dbraw/zinc/47/32/23/1321473223.db2.gz HZCXNJAJJXUZBB-UHFFFAOYSA-N 2 1 349.494 3.003 20 10 EGCDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)CC1 ZINC001325733490 1388036413 /nfs/dbraw/zinc/03/64/13/1388036413.db2.gz LHEUSZKLGQJAMW-HXUWFJFHSA-N 2 1 327.516 3.451 20 10 EGCDMP COc1ccc(O)c(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c1 ZINC001203671251 1370211036 /nfs/dbraw/zinc/21/10/36/1370211036.db2.gz LRPKNCKCLPWKOW-UHFFFAOYSA-N 2 1 330.472 3.241 20 10 EGCDMP COc1ccc(O)c(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c1 ZINC001203671251 1370211043 /nfs/dbraw/zinc/21/10/43/1370211043.db2.gz LRPKNCKCLPWKOW-UHFFFAOYSA-N 2 1 330.472 3.241 20 10 EGCDMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCc3cccc(O)c3C2)cc1 ZINC001204270140 1370428426 /nfs/dbraw/zinc/42/84/26/1370428426.db2.gz QAIJKVSWLQJNID-UHFFFAOYSA-N 2 1 340.467 3.281 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205582208 1370799847 /nfs/dbraw/zinc/79/98/47/1370799847.db2.gz XHMPNLOVQNUNQB-HNNXBMFYSA-N 2 1 345.256 3.116 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205582208 1370799848 /nfs/dbraw/zinc/79/98/48/1370799848.db2.gz XHMPNLOVQNUNQB-HNNXBMFYSA-N 2 1 345.256 3.116 20 10 EGCDMP CC(C)(C)c1cc(O)c(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1Cl ZINC001205736111 1370855427 /nfs/dbraw/zinc/85/54/27/1370855427.db2.gz VBQPWYPGNHRDAR-GOSISDBHSA-N 2 1 340.895 3.019 20 10 EGCDMP CN(C)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c2ccccc21 ZINC001205762885 1370863760 /nfs/dbraw/zinc/86/37/60/1370863760.db2.gz OKNOVWFTFGICLT-HNNXBMFYSA-N 2 1 333.426 3.322 20 10 EGCDMP C[C@H]1C[N@H+](Cc2cc(Br)c(F)cc2O)CCC[C@H]1C[NH3+] ZINC001206014027 1370938845 /nfs/dbraw/zinc/93/88/45/1370938845.db2.gz VFCRSUHUXOLVEZ-QWRGUYRKSA-N 2 1 345.256 3.101 20 10 EGCDMP C[C@H]1C[N@@H+](Cc2cc(Br)c(F)cc2O)CCC[C@H]1C[NH3+] ZINC001206014027 1370938847 /nfs/dbraw/zinc/93/88/47/1370938847.db2.gz VFCRSUHUXOLVEZ-QWRGUYRKSA-N 2 1 345.256 3.101 20 10 EGCDMP Cc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001231592771 1376273814 /nfs/dbraw/zinc/27/38/14/1376273814.db2.gz UMNGUWLGVWSUCW-CALCHBBNSA-N 2 1 328.481 3.326 20 10 EGCDMP Cc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001231592771 1376273821 /nfs/dbraw/zinc/27/38/21/1376273821.db2.gz UMNGUWLGVWSUCW-CALCHBBNSA-N 2 1 328.481 3.326 20 10 EGCDMP Cc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001231592771 1376273827 /nfs/dbraw/zinc/27/38/27/1376273827.db2.gz UMNGUWLGVWSUCW-CALCHBBNSA-N 2 1 328.481 3.326 20 10 EGCDMP Cc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001231592771 1376273833 /nfs/dbraw/zinc/27/38/33/1376273833.db2.gz UMNGUWLGVWSUCW-CALCHBBNSA-N 2 1 328.481 3.326 20 10 EGCDMP CC[N@@H+](C)C1CCN(Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233776257 1376713986 /nfs/dbraw/zinc/71/39/86/1376713986.db2.gz NWBMPQRHRLISOD-UHFFFAOYSA-N 2 1 332.366 3.207 20 10 EGCDMP c1c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc2c3c1CCCN3CCC2 ZINC001235045673 1376840450 /nfs/dbraw/zinc/84/04/50/1376840450.db2.gz LTYKNWCLIHZDKM-JOCHJYFZSA-N 2 1 339.527 3.494 20 10 EGCDMP Fc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001235726114 1376887149 /nfs/dbraw/zinc/88/71/49/1376887149.db2.gz MTLQMWGFUHWEHT-GOSISDBHSA-N 2 1 339.458 3.225 20 10 EGCDMP CCC[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)C[C@@H]1CC[NH2+]C1 ZINC001236843442 1376965914 /nfs/dbraw/zinc/96/59/14/1376965914.db2.gz IKBODASKYWICFP-OAHLLOKOSA-N 2 1 330.472 3.398 20 10 EGCDMP CC[N@@H+](Cc1ccccc1)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139253181 1377858142 /nfs/dbraw/zinc/85/81/42/1377858142.db2.gz OSHKFWMKPLXGLT-UHFFFAOYSA-N 2 1 328.456 3.485 20 10 EGCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141146057 1378248892 /nfs/dbraw/zinc/24/88/92/1378248892.db2.gz JAEDVOFTCBWIKZ-UHFFFAOYSA-N 2 1 331.504 3.212 20 10 EGCDMP CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337872278 1389465338 /nfs/dbraw/zinc/46/53/38/1389465338.db2.gz VVZLCPKPBIMQBZ-AWEZNQCLSA-N 2 1 347.400 3.398 20 10 EGCDMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000131409441 454251544 /nfs/dbraw/zinc/25/15/44/454251544.db2.gz ZHYZFGDHDJNDLV-INIZCTEOSA-N 2 1 337.483 3.045 20 10 EGCDMP COc1ccc(N2CCC([NH2+]C[C@H]3CCC[N@H+](C(C)C)C3)CC2)cc1 ZINC000125847670 454851510 /nfs/dbraw/zinc/85/15/10/454851510.db2.gz QLKKVJIYNSLYFT-GOSISDBHSA-N 2 1 345.531 3.374 20 10 EGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160683338 455487869 /nfs/dbraw/zinc/48/78/69/455487869.db2.gz VWQCQDDBYZZMAO-YLJYHZDGSA-N 2 1 333.520 3.030 20 10 EGCDMP Cc1cccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1O ZINC000179884003 455094081 /nfs/dbraw/zinc/09/40/81/455094081.db2.gz PIKZXVIFDUTQSD-CALCHBBNSA-N 2 1 332.488 3.022 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000293607847 455792800 /nfs/dbraw/zinc/79/28/00/455792800.db2.gz DWLXSNSOWQKQSH-OAHLLOKOSA-N 2 1 334.460 3.096 20 10 EGCDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000272058202 455835202 /nfs/dbraw/zinc/83/52/02/455835202.db2.gz RNRDPZBDPFZDTP-UHFFFAOYSA-N 2 1 338.249 3.148 20 10 EGCDMP Cc1cc(Br)cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1O ZINC000186946884 455854997 /nfs/dbraw/zinc/85/49/97/455854997.db2.gz KZWGUOCSJOCCDI-NSHDSACASA-N 2 1 327.266 3.208 20 10 EGCDMP CCOCc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1OC ZINC000299478692 456706586 /nfs/dbraw/zinc/70/65/86/456706586.db2.gz ZYNWBOZZQOGJGV-UHFFFAOYSA-N 2 1 332.488 3.338 20 10 EGCDMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Br)ccc2O)C1 ZINC000368131635 458014835 /nfs/dbraw/zinc/01/48/35/458014835.db2.gz AXWPYUDAGGQHLK-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Br)ccc2O)C1 ZINC000368131635 458014836 /nfs/dbraw/zinc/01/48/36/458014836.db2.gz AXWPYUDAGGQHLK-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(Br)ccc2O)C1 ZINC000368131635 458014837 /nfs/dbraw/zinc/01/48/37/458014837.db2.gz AXWPYUDAGGQHLK-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(Br)ccc2O)C1 ZINC000368131635 458014838 /nfs/dbraw/zinc/01/48/38/458014838.db2.gz AXWPYUDAGGQHLK-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)[C@@H](C)C1 ZINC000246874119 1296373898 /nfs/dbraw/zinc/37/38/98/1296373898.db2.gz DQATYYPPIGOIAF-QFBILLFUSA-N 2 1 333.545 3.060 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000756381089 1300480865 /nfs/dbraw/zinc/48/08/65/1300480865.db2.gz WQKLTZOYTFZXBA-CQSZACIVSA-N 2 1 342.439 3.091 20 10 EGCDMP COc1cccc(O)c1CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000769148801 1303056203 /nfs/dbraw/zinc/05/62/03/1303056203.db2.gz SDWYVDUNGLGJSR-IAGOWNOFSA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000769148801 1303056206 /nfs/dbraw/zinc/05/62/06/1303056206.db2.gz SDWYVDUNGLGJSR-IAGOWNOFSA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(O)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000769148801 1303056208 /nfs/dbraw/zinc/05/62/08/1303056208.db2.gz SDWYVDUNGLGJSR-IAGOWNOFSA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(O)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000769148801 1303056212 /nfs/dbraw/zinc/05/62/12/1303056212.db2.gz SDWYVDUNGLGJSR-IAGOWNOFSA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(O)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000769148801 1303056213 /nfs/dbraw/zinc/05/62/13/1303056213.db2.gz SDWYVDUNGLGJSR-IAGOWNOFSA-N 2 1 332.488 3.487 20 10 EGCDMP C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775658854 1304007172 /nfs/dbraw/zinc/00/71/72/1304007172.db2.gz UONHWOMJBNUSFN-UHFFFAOYSA-N 2 1 341.474 3.252 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC=C(C(F)(F)F)CC3)cc2)CC1 ZINC000775717555 1304020628 /nfs/dbraw/zinc/02/06/28/1304020628.db2.gz OEUIKVWHQHMYGK-UHFFFAOYSA-N 2 1 339.405 3.133 20 10 EGCDMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788622478 1305985679 /nfs/dbraw/zinc/98/56/79/1305985679.db2.gz AWIAATAORRVUED-STQMWFEESA-N 2 1 348.409 3.418 20 10 EGCDMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000797114041 1310143137 /nfs/dbraw/zinc/14/31/37/1310143137.db2.gz GXWKJKHVQOUSFU-IBGZPJMESA-N 2 1 331.504 3.128 20 10 EGCDMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000797114041 1310143145 /nfs/dbraw/zinc/14/31/45/1310143145.db2.gz GXWKJKHVQOUSFU-IBGZPJMESA-N 2 1 331.504 3.128 20 10 EGCDMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824559191 1320265116 /nfs/dbraw/zinc/26/51/16/1320265116.db2.gz JYDTYCQYTHXHIV-FQEVSTJZSA-N 2 1 345.531 3.123 20 10 EGCDMP [O-]c1cccc(Br)c1C[NH2+]CCCNc1ccccn1 ZINC000858148643 1328696408 /nfs/dbraw/zinc/69/64/08/1328696408.db2.gz FSKXPFQGUKGTOF-UHFFFAOYSA-N 2 1 336.233 3.142 20 10 EGCDMP Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000858245747 1328720759 /nfs/dbraw/zinc/72/07/59/1328720759.db2.gz NIXFDWSNMNLDPU-ZDUSSCGKSA-N 2 1 341.293 3.285 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000858245747 1328720768 /nfs/dbraw/zinc/72/07/68/1328720768.db2.gz NIXFDWSNMNLDPU-ZDUSSCGKSA-N 2 1 341.293 3.285 20 10 EGCDMP COc1cc(O)c(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000809738801 1317884489 /nfs/dbraw/zinc/88/44/89/1317884489.db2.gz KKDQLZNLDWIGDD-UHFFFAOYSA-N 2 1 344.455 3.103 20 10 EGCDMP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)CC1 ZINC000809755169 1317892480 /nfs/dbraw/zinc/89/24/80/1317892480.db2.gz GWKLJNKJSNKVDA-CYBMUJFWSA-N 2 1 326.843 3.348 20 10 EGCDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)CC1 ZINC000809755169 1317892486 /nfs/dbraw/zinc/89/24/86/1317892486.db2.gz GWKLJNKJSNKVDA-CYBMUJFWSA-N 2 1 326.843 3.348 20 10 EGCDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C)cc(C)c3O)CC2)CC1 ZINC000817371749 1319342808 /nfs/dbraw/zinc/34/28/08/1319342808.db2.gz BIZZXLRXQNZVQC-UHFFFAOYSA-N 2 1 345.531 3.001 20 10 EGCDMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(C(F)(F)F)c1O ZINC000817987381 1319486843 /nfs/dbraw/zinc/48/68/43/1319486843.db2.gz TWPDWLAMAWNWIC-QNWHQSFQSA-N 2 1 328.378 3.450 20 10 EGCDMP CN(c1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1)C1CCCCC1 ZINC000818979977 1319602253 /nfs/dbraw/zinc/60/22/53/1319602253.db2.gz FGCJEZJKUCVOOU-NRFANRHFSA-N 2 1 345.531 3.000 20 10 EGCDMP CN(c1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1)C1CCCCC1 ZINC000818979977 1319602263 /nfs/dbraw/zinc/60/22/63/1319602263.db2.gz FGCJEZJKUCVOOU-NRFANRHFSA-N 2 1 345.531 3.000 20 10 EGCDMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841031046 1321204399 /nfs/dbraw/zinc/20/43/99/1321204399.db2.gz OOOLWZVPZKGSOK-UHFFFAOYSA-N 2 1 334.464 3.192 20 10 EGCDMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000843047760 1321461503 /nfs/dbraw/zinc/46/15/03/1321461503.db2.gz SMZJZJXBNVJDCO-KRWDZBQOSA-N 2 1 326.440 3.142 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000844913086 1321657820 /nfs/dbraw/zinc/65/78/20/1321657820.db2.gz YQTQTWBVPSWSCL-UHFFFAOYSA-N 2 1 327.266 3.024 20 10 EGCDMP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(F)(F)F ZINC001325242646 1387921065 /nfs/dbraw/zinc/92/10/65/1387921065.db2.gz SOHSZBOQAMYPAZ-CYBMUJFWSA-N 2 1 347.400 3.256 20 10 EGCDMP COc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001203589740 1370180830 /nfs/dbraw/zinc/18/08/30/1370180830.db2.gz MUFKUXAORBGDPE-HOTGVXAUSA-N 2 1 344.480 3.026 20 10 EGCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001205016147 1370628837 /nfs/dbraw/zinc/62/88/37/1370628837.db2.gz FURRUFZYIRTKKR-SFHVURJKSA-N 2 1 340.467 3.403 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)C[C@@H]1C[NH3+] ZINC001205317970 1370720336 /nfs/dbraw/zinc/72/03/36/1370720336.db2.gz RBYQLIRXGHIQQA-LPHOPBHVSA-N 2 1 340.467 3.388 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1O ZINC001205913482 1370908173 /nfs/dbraw/zinc/90/81/73/1370908173.db2.gz ILJGWCODTRVGRC-RYUDHWBXSA-N 2 1 327.266 3.022 20 10 EGCDMP C[C@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001206026275 1370942271 /nfs/dbraw/zinc/94/22/71/1370942271.db2.gz RGEJXZCBXNPROD-NWDGAFQWSA-N 2 1 332.366 3.098 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCC[C@H]1C[NH3+] ZINC001206034783 1370944983 /nfs/dbraw/zinc/94/49/83/1370944983.db2.gz AAUCQCBDKQJQCI-CABCVRRESA-N 2 1 330.472 3.383 20 10 EGCDMP Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272337 1373823083 /nfs/dbraw/zinc/82/30/83/1373823083.db2.gz RLXYGYCROKWRRR-INIZCTEOSA-N 2 1 328.378 3.377 20 10 EGCDMP Cc1cccc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1O ZINC001231592684 1376274112 /nfs/dbraw/zinc/27/41/12/1376274112.db2.gz JJVSEMDXNWRGMX-VQTJNVASSA-N 2 1 344.499 3.023 20 10 EGCDMP Cc1cccc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1O ZINC001231592684 1376274115 /nfs/dbraw/zinc/27/41/15/1376274115.db2.gz JJVSEMDXNWRGMX-VQTJNVASSA-N 2 1 344.499 3.023 20 10 EGCDMP Cc1cccc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c1O ZINC001231592684 1376274118 /nfs/dbraw/zinc/27/41/18/1376274118.db2.gz JJVSEMDXNWRGMX-VQTJNVASSA-N 2 1 344.499 3.023 20 10 EGCDMP Cc1cccc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c1O ZINC001231592684 1376274124 /nfs/dbraw/zinc/27/41/24/1376274124.db2.gz JJVSEMDXNWRGMX-VQTJNVASSA-N 2 1 344.499 3.023 20 10 EGCDMP Oc1ccc(F)c(Cl)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427586 1376870823 /nfs/dbraw/zinc/87/08/23/1376870823.db2.gz NPRPOXGZYDCQFI-QWHCGFSZSA-N 2 1 326.843 3.396 20 10 EGCDMP Oc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235941618 1376920378 /nfs/dbraw/zinc/92/03/78/1376920378.db2.gz WHLOJBAKHGULDM-MJGOQNOKSA-N 2 1 338.451 3.013 20 10 EGCDMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(N(CC)CC)cc3OC)C[C@H]2C1 ZINC001138392248 1377714379 /nfs/dbraw/zinc/71/43/79/1377714379.db2.gz UASNSQCWSKHHHN-RTBURBONSA-N 2 1 345.531 3.315 20 10 EGCDMP COc1cc(C[N@@H+](C)Cc2ccccc2C)cc(C[NH+](C)C)c1O ZINC001139256626 1377858544 /nfs/dbraw/zinc/85/85/44/1377858544.db2.gz FNUNZYXKDFIKKF-UHFFFAOYSA-N 2 1 328.456 3.403 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3nccs3)cc2)CC1 ZINC001139412080 1377880668 /nfs/dbraw/zinc/88/06/68/1377880668.db2.gz CNMMLMKNIZSHOI-GOSISDBHSA-N 2 1 342.512 3.232 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3nccs3)cc2)CC1 ZINC001139412080 1377880669 /nfs/dbraw/zinc/88/06/69/1377880669.db2.gz CNMMLMKNIZSHOI-GOSISDBHSA-N 2 1 342.512 3.232 20 10 EGCDMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1C ZINC001338751765 1389751753 /nfs/dbraw/zinc/75/17/53/1389751753.db2.gz QPIGELJEFPGZCO-JTDSTZFVSA-N 2 1 333.495 3.492 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCC3(F)F)cc2F)CC1 ZINC001344074414 1390754105 /nfs/dbraw/zinc/75/41/05/1390754105.db2.gz HQRZTHLITSHDRT-HNNXBMFYSA-N 2 1 341.421 3.103 20 10 EGCDMP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(F)cc1O ZINC000185056462 455493194 /nfs/dbraw/zinc/49/31/94/455493194.db2.gz DOFGGIIUTNYLCR-CQSZACIVSA-N 2 1 332.419 3.323 20 10 EGCDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2ccccc2c1O ZINC000185414720 455556734 /nfs/dbraw/zinc/55/67/34/455556734.db2.gz XJEMWMYTTDBHQA-FUHWJXTLSA-N 2 1 342.483 3.433 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1O ZINC000277551914 455596185 /nfs/dbraw/zinc/59/61/85/455596185.db2.gz RBKBQHOMQLGSFV-HNNXBMFYSA-N 2 1 341.293 3.379 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1O ZINC000277551914 455596188 /nfs/dbraw/zinc/59/61/88/455596188.db2.gz RBKBQHOMQLGSFV-HNNXBMFYSA-N 2 1 341.293 3.379 20 10 EGCDMP Cc1cc(Br)cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1O ZINC000275399170 456273766 /nfs/dbraw/zinc/27/37/66/456273766.db2.gz ZNWQHBLUSQXQPW-LBPRGKRZSA-N 2 1 339.277 3.376 20 10 EGCDMP C[NH+](Cc1ccc(Br)cc1[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000691673657 1298136256 /nfs/dbraw/zinc/13/62/56/1298136256.db2.gz CHIIMUYXGVHMGB-YIONKMFJSA-N 2 1 339.277 3.212 20 10 EGCDMP C[NH+](Cc1ccc(Br)cc1[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000691673657 1298136262 /nfs/dbraw/zinc/13/62/62/1298136262.db2.gz CHIIMUYXGVHMGB-YIONKMFJSA-N 2 1 339.277 3.212 20 10 EGCDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000164428506 1294347959 /nfs/dbraw/zinc/34/79/59/1294347959.db2.gz RZXVFLOGFGVJEX-OAHLLOKOSA-N 2 1 334.504 3.472 20 10 EGCDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000164428506 1294347962 /nfs/dbraw/zinc/34/79/62/1294347962.db2.gz RZXVFLOGFGVJEX-OAHLLOKOSA-N 2 1 334.504 3.472 20 10 EGCDMP COc1ccc(O)c([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000184932978 1295228850 /nfs/dbraw/zinc/22/88/50/1295228850.db2.gz ZFZUOQOCZXMWFN-MRXNPFEDSA-N 2 1 340.467 3.500 20 10 EGCDMP COc1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000184932978 1295228857 /nfs/dbraw/zinc/22/88/57/1295228857.db2.gz ZFZUOQOCZXMWFN-MRXNPFEDSA-N 2 1 340.467 3.500 20 10 EGCDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000246201586 1296342217 /nfs/dbraw/zinc/34/22/17/1296342217.db2.gz AXPKSFXZFHTHPQ-WMLDXEAASA-N 2 1 332.488 3.311 20 10 EGCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000246201586 1296342223 /nfs/dbraw/zinc/34/22/23/1296342223.db2.gz AXPKSFXZFHTHPQ-WMLDXEAASA-N 2 1 332.488 3.311 20 10 EGCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000246201586 1296342235 /nfs/dbraw/zinc/34/22/35/1296342235.db2.gz AXPKSFXZFHTHPQ-WMLDXEAASA-N 2 1 332.488 3.311 20 10 EGCDMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725849763 1298374368 /nfs/dbraw/zinc/37/43/68/1298374368.db2.gz XBBLTMNRRQXSTD-HNNXBMFYSA-N 2 1 334.464 3.015 20 10 EGCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(Br)cc2O)C1 ZINC000825935595 1320372197 /nfs/dbraw/zinc/37/21/97/1320372197.db2.gz YLLGZRMJPNCKGK-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)C[NH+](C)C ZINC000813877369 1318649261 /nfs/dbraw/zinc/64/92/61/1318649261.db2.gz UCBGTWOWXGQSEP-HUUCEWRRSA-N 2 1 339.911 3.025 20 10 EGCDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817957834 1319476379 /nfs/dbraw/zinc/47/63/79/1319476379.db2.gz FJOSSJJZXVYOQX-KXBFYZLASA-N 2 1 349.494 3.221 20 10 EGCDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Br)cc2O)C1 ZINC000825935595 1320372190 /nfs/dbraw/zinc/37/21/90/1320372190.db2.gz YLLGZRMJPNCKGK-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(Br)cc2O)C1 ZINC000825935595 1320372194 /nfs/dbraw/zinc/37/21/94/1320372194.db2.gz YLLGZRMJPNCKGK-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Br)cc2O)C1 ZINC000825935595 1320372185 /nfs/dbraw/zinc/37/21/85/1320372185.db2.gz YLLGZRMJPNCKGK-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000843048624 1321461311 /nfs/dbraw/zinc/46/13/11/1321461311.db2.gz LQBANEXDIXUORD-NSHDSACASA-N 2 1 327.266 3.022 20 10 EGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(CC)c2O)[C@H](C)C1 ZINC000848895308 1322033959 /nfs/dbraw/zinc/03/39/59/1322033959.db2.gz LWWBWEGEFKRICY-APWZRJJASA-N 2 1 334.504 3.181 20 10 EGCDMP CCOc1cccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1O ZINC001203608519 1370186558 /nfs/dbraw/zinc/18/65/58/1370186558.db2.gz SEJKAURCOQTOCX-UHFFFAOYSA-N 2 1 341.455 3.233 20 10 EGCDMP C[C@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC[C@@H]1C[NH3+] ZINC001206003463 1370935645 /nfs/dbraw/zinc/93/56/45/1370935645.db2.gz IHENVTNLAGFTDI-OXJNMPFZSA-N 2 1 327.516 3.192 20 10 EGCDMP C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CCC[C@@H]1C[NH3+] ZINC001206027699 1370942144 /nfs/dbraw/zinc/94/21/44/1370942144.db2.gz WQPORWVVVSQISG-NWDGAFQWSA-N 2 1 332.366 3.098 20 10 EGCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1F ZINC001206188952 1370987914 /nfs/dbraw/zinc/98/79/14/1370987914.db2.gz WLGLPCOBYXCJGA-RTBURBONSA-N 2 1 344.430 3.232 20 10 EGCDMP c1c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc2c3c1CCCN3CCC2 ZINC001235045674 1376840805 /nfs/dbraw/zinc/84/08/05/1376840805.db2.gz LTYKNWCLIHZDKM-QFIPXVFZSA-N 2 1 339.527 3.494 20 10 EGCDMP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c(O)c(OC)c1 ZINC001237676563 1376982727 /nfs/dbraw/zinc/98/27/27/1376982727.db2.gz PZCJMJGNNYEWMA-KRWDZBQOSA-N 2 1 348.487 3.250 20 10 EGCDMP CCCC[C@H]1C[C@@H]([NH+]2CCN(c3ccc(OC)cc3C)CC2)CC[NH2+]1 ZINC001246937164 1377055800 /nfs/dbraw/zinc/05/58/00/1377055800.db2.gz ZLYPWGVEMFVRQY-OALUTQOASA-N 2 1 345.531 3.436 20 10 EGCDMP CC[NH+]1CCC([N@H+](C)Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138337774 1377705273 /nfs/dbraw/zinc/70/52/73/1377705273.db2.gz YPDCHRYPPQYFGR-UHFFFAOYSA-N 2 1 343.515 3.007 20 10 EGCDMP CC[NH+]1CCC([N@@H+](C)Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138337774 1377705275 /nfs/dbraw/zinc/70/52/75/1377705275.db2.gz YPDCHRYPPQYFGR-UHFFFAOYSA-N 2 1 343.515 3.007 20 10 EGCDMP COc1cc(C[N@H+]2CCC(F)(F)C(C)(C)C2)cc(C[NH+](C)C)c1O ZINC001139255117 1377857910 /nfs/dbraw/zinc/85/79/10/1377857910.db2.gz NITDIZWXXMQOLS-UHFFFAOYSA-N 2 1 342.430 3.330 20 10 EGCDMP Cc1ccc(C)c(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1O ZINC001140181203 1378026978 /nfs/dbraw/zinc/02/69/78/1378026978.db2.gz PTZRBYASXATIHR-OAQYLSRUSA-N 2 1 346.515 3.332 20 10 EGCDMP Cc1ccc(C)c(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1O ZINC001140181203 1378026979 /nfs/dbraw/zinc/02/69/79/1378026979.db2.gz PTZRBYASXATIHR-OAQYLSRUSA-N 2 1 346.515 3.332 20 10 EGCDMP Cc1ccc(C)c(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1O ZINC001140181203 1378026980 /nfs/dbraw/zinc/02/69/80/1378026980.db2.gz PTZRBYASXATIHR-OAQYLSRUSA-N 2 1 346.515 3.332 20 10 EGCDMP Cc1ccc(C)c(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1O ZINC001140181203 1378026981 /nfs/dbraw/zinc/02/69/81/1378026981.db2.gz PTZRBYASXATIHR-OAQYLSRUSA-N 2 1 346.515 3.332 20 10 EGCDMP Cc1c(O)ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1O ZINC001140747362 1378129154 /nfs/dbraw/zinc/12/91/54/1378129154.db2.gz AIZQORQBLTUDEV-GOSISDBHSA-N 2 1 340.467 3.360 20 10 EGCDMP Cc1c(O)ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC001140747362 1378129155 /nfs/dbraw/zinc/12/91/55/1378129155.db2.gz AIZQORQBLTUDEV-GOSISDBHSA-N 2 1 340.467 3.360 20 10 EGCDMP Cc1c(O)ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC001140747362 1378129156 /nfs/dbraw/zinc/12/91/56/1378129156.db2.gz AIZQORQBLTUDEV-GOSISDBHSA-N 2 1 340.467 3.360 20 10 EGCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(Br)ccc1O)C2 ZINC001172113316 1384731093 /nfs/dbraw/zinc/73/10/93/1384731093.db2.gz CAFIEHWLYGNOJD-QDMKHBRRSA-N 2 1 339.277 3.260 20 10 EGCDMP CC[C@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)[NH+]1CCCC1 ZINC000151685288 455017045 /nfs/dbraw/zinc/01/70/45/455017045.db2.gz VKZBAQCAKQBREO-GOSISDBHSA-N 2 1 331.504 3.128 20 10 EGCDMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1O ZINC000185206395 455521365 /nfs/dbraw/zinc/52/13/65/455521365.db2.gz QULXLQUKXKDCKK-HXUWFJFHSA-N 2 1 340.467 3.465 20 10 EGCDMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000268813804 455714733 /nfs/dbraw/zinc/71/47/33/455714733.db2.gz FPEXOQACVVNVQB-NQIIRXRSSA-N 2 1 345.531 3.174 20 10 EGCDMP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000374879227 457726008 /nfs/dbraw/zinc/72/60/08/457726008.db2.gz SGBBPYLXHYKQRU-APWZRJJASA-N 2 1 340.467 3.401 20 10 EGCDMP COc1ccc(N2CCC([NH2+]CCCC[N@@H+](C)C3CC3)CC2)cc1 ZINC000834909339 1293173490 /nfs/dbraw/zinc/17/34/90/1293173490.db2.gz MIZSQABDHOOTEQ-UHFFFAOYSA-N 2 1 331.504 3.128 20 10 EGCDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC000115628771 1293192868 /nfs/dbraw/zinc/19/28/68/1293192868.db2.gz PRCAJIOTUXDIRL-IEBWSBKVSA-N 2 1 334.504 3.230 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)c2c1 ZINC000129305003 1293620648 /nfs/dbraw/zinc/62/06/48/1293620648.db2.gz YBAHTQMKKLPASR-OXQOHEQNSA-N 2 1 340.467 3.470 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@H]43)c2c1 ZINC000129305003 1293620654 /nfs/dbraw/zinc/62/06/54/1293620654.db2.gz YBAHTQMKKLPASR-OXQOHEQNSA-N 2 1 340.467 3.470 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c2c1 ZINC000129305003 1293620659 /nfs/dbraw/zinc/62/06/59/1293620659.db2.gz YBAHTQMKKLPASR-OXQOHEQNSA-N 2 1 340.467 3.470 20 10 EGCDMP CC(C)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccccn1 ZINC000775659108 1304007981 /nfs/dbraw/zinc/00/79/81/1304007981.db2.gz XEMLXUPSWMJHQR-UHFFFAOYSA-N 2 1 338.499 3.244 20 10 EGCDMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000788258874 1305910403 /nfs/dbraw/zinc/91/04/03/1305910403.db2.gz YUNLSFKHYBROCS-HNNXBMFYSA-N 2 1 330.451 3.443 20 10 EGCDMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000792914728 1309258659 /nfs/dbraw/zinc/25/86/59/1309258659.db2.gz DXSFSKDFXGCAJB-IAGOWNOFSA-N 2 1 341.421 3.488 20 10 EGCDMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000792914728 1309258663 /nfs/dbraw/zinc/25/86/63/1309258663.db2.gz DXSFSKDFXGCAJB-IAGOWNOFSA-N 2 1 341.421 3.488 20 10 EGCDMP CC(C)(C[NH2+]Cc1c(O)cccc1Br)C[NH+]1CCCC1 ZINC000858160993 1328700257 /nfs/dbraw/zinc/70/02/57/1328700257.db2.gz XPROQZPOBMTNFW-UHFFFAOYSA-N 2 1 341.293 3.366 20 10 EGCDMP CC(C)[C@H]1[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC12CCC2 ZINC000814170894 1318686716 /nfs/dbraw/zinc/68/67/16/1318686716.db2.gz GGTGWGSTRBDMIK-HXUWFJFHSA-N 2 1 327.516 3.449 20 10 EGCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2ccccc2c1O ZINC000816521784 1319174976 /nfs/dbraw/zinc/17/49/76/1319174976.db2.gz YPMAIRGXWPHJIO-MISYRCLQSA-N 2 1 340.467 3.229 20 10 EGCDMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817954520 1319475582 /nfs/dbraw/zinc/47/55/82/1319475582.db2.gz YKSLDGHLBMNWFA-HNNXBMFYSA-N 2 1 339.911 3.215 20 10 EGCDMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817957831 1319476896 /nfs/dbraw/zinc/47/68/96/1319476896.db2.gz FJOSSJJZXVYOQX-HNAYVOBHSA-N 2 1 349.494 3.221 20 10 EGCDMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000817981264 1319485082 /nfs/dbraw/zinc/48/50/82/1319485082.db2.gz QSFCFKPJCZWBHP-YLJYHZDGSA-N 2 1 331.504 3.096 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCSC4(CCC4)CC3)cc2)CC1 ZINC000840954581 1321185255 /nfs/dbraw/zinc/18/52/55/1321185255.db2.gz KMWPVTBLSBGWAC-UHFFFAOYSA-N 2 1 345.556 3.300 20 10 EGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000863646704 1329570297 /nfs/dbraw/zinc/57/02/97/1329570297.db2.gz XTTOPUPYKCCIDA-GOEBONIOSA-N 2 1 329.410 3.020 20 10 EGCDMP COc1ccc(O)c(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203671784 1370211272 /nfs/dbraw/zinc/21/12/72/1370211272.db2.gz XSNVGARTAOLAIU-HOTGVXAUSA-N 2 1 344.480 3.026 20 10 EGCDMP CN(Cc1ccc(O)c(O)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001203880788 1370297987 /nfs/dbraw/zinc/29/79/87/1370297987.db2.gz ZROWDDSFFNLDOH-SFHVURJKSA-N 2 1 326.440 3.052 20 10 EGCDMP C[N@@H+](Cc1ccc(O)c(O)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001203880788 1370297989 /nfs/dbraw/zinc/29/79/89/1370297989.db2.gz ZROWDDSFFNLDOH-SFHVURJKSA-N 2 1 326.440 3.052 20 10 EGCDMP C[N@H+](Cc1ccc(O)c(O)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001203880788 1370297995 /nfs/dbraw/zinc/29/79/95/1370297995.db2.gz ZROWDDSFFNLDOH-SFHVURJKSA-N 2 1 326.440 3.052 20 10 EGCDMP C[NH+](Cc1ccc(O)c(O)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001203880788 1370297997 /nfs/dbraw/zinc/29/79/97/1370297997.db2.gz ZROWDDSFFNLDOH-SFHVURJKSA-N 2 1 326.440 3.052 20 10 EGCDMP C[NH+](Cc1ccc(O)c(O)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001203880788 1370298000 /nfs/dbraw/zinc/29/80/00/1370298000.db2.gz ZROWDDSFFNLDOH-SFHVURJKSA-N 2 1 326.440 3.052 20 10 EGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001116564891 1370937543 /nfs/dbraw/zinc/93/75/43/1370937543.db2.gz AKKBLMRLRZNZMC-NXHRZFHOSA-N 2 1 344.499 3.482 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1O ZINC001206011970 1370938094 /nfs/dbraw/zinc/93/80/94/1370938094.db2.gz HUUPXDYXJLUBIR-QWHCGFSZSA-N 2 1 341.293 3.270 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1O ZINC001206011955 1370938241 /nfs/dbraw/zinc/93/82/41/1370938241.db2.gz HUUPXDYXJLUBIR-OLZOCXBDSA-N 2 1 341.293 3.270 20 10 EGCDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001206575858 1371098531 /nfs/dbraw/zinc/09/85/31/1371098531.db2.gz ZYCYAPFWZHSCOQ-MRXNPFEDSA-N 2 1 346.393 3.284 20 10 EGCDMP Cc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1O ZINC001231592217 1376273222 /nfs/dbraw/zinc/27/32/22/1376273222.db2.gz PEJOPJBMMWSHLL-FQEVSTJZSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1O ZINC001231592217 1376273226 /nfs/dbraw/zinc/27/32/26/1376273226.db2.gz PEJOPJBMMWSHLL-FQEVSTJZSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1cccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1O ZINC001231592217 1376273229 /nfs/dbraw/zinc/27/32/29/1376273229.db2.gz PEJOPJBMMWSHLL-FQEVSTJZSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1O ZINC001231592217 1376273247 /nfs/dbraw/zinc/27/32/47/1376273247.db2.gz PEJOPJBMMWSHLL-FQEVSTJZSA-N 2 1 332.488 3.023 20 10 EGCDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232261768 1376425793 /nfs/dbraw/zinc/42/57/93/1376425793.db2.gz OTBVWPPBZADGOI-UHFFFAOYSA-N 2 1 326.868 3.303 20 10 EGCDMP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001140620105 1378099348 /nfs/dbraw/zinc/09/93/48/1378099348.db2.gz CJGDWSAIZILAHU-PZJWPPBQSA-N 2 1 344.499 3.023 20 10 EGCDMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001140620105 1378099351 /nfs/dbraw/zinc/09/93/51/1378099351.db2.gz CJGDWSAIZILAHU-PZJWPPBQSA-N 2 1 344.499 3.023 20 10 EGCDMP Cc1ccc(O)c(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001140620105 1378099355 /nfs/dbraw/zinc/09/93/55/1378099355.db2.gz CJGDWSAIZILAHU-PZJWPPBQSA-N 2 1 344.499 3.023 20 10 EGCDMP Cc1ccc(O)c(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001140620105 1378099358 /nfs/dbraw/zinc/09/93/58/1378099358.db2.gz CJGDWSAIZILAHU-PZJWPPBQSA-N 2 1 344.499 3.023 20 10 EGCDMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H](C)C1 ZINC001318565815 1385760171 /nfs/dbraw/zinc/76/01/71/1385760171.db2.gz CSTFTKNXONHMDV-JTDSTZFVSA-N 2 1 333.495 3.492 20 10 EGCDMP CCn1ccc(C[N@@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001320723419 1386701150 /nfs/dbraw/zinc/70/11/50/1386701150.db2.gz PBSBINBRBPPSTQ-UHFFFAOYSA-N 2 1 344.478 3.031 20 10 EGCDMP CCn1ccc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001320723419 1386701157 /nfs/dbraw/zinc/70/11/57/1386701157.db2.gz PBSBINBRBPPSTQ-UHFFFAOYSA-N 2 1 344.478 3.031 20 10 EGCDMP COc1ccc(O)c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000074333666 454566842 /nfs/dbraw/zinc/56/68/42/454566842.db2.gz PUPOKONLDJDBJD-UHFFFAOYSA-N 2 1 326.440 3.155 20 10 EGCDMP COc1ccc(N2CCC[N@H+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000193475580 455761277 /nfs/dbraw/zinc/76/12/77/455761277.db2.gz WLLCGLJRHHVXMT-UHFFFAOYSA-N 2 1 331.504 3.083 20 10 EGCDMP COc1ccc(N2CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000193475580 455761281 /nfs/dbraw/zinc/76/12/81/455761281.db2.gz WLLCGLJRHHVXMT-UHFFFAOYSA-N 2 1 331.504 3.083 20 10 EGCDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Br)ccc1O ZINC000273359596 456225045 /nfs/dbraw/zinc/22/50/45/456225045.db2.gz DLHUSMFSQFSMAM-LLVKDONJSA-N 2 1 325.250 3.067 20 10 EGCDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000275337293 456272841 /nfs/dbraw/zinc/27/28/41/456272841.db2.gz NZZCVVPJIWWAGC-NSHDSACASA-N 2 1 338.249 3.319 20 10 EGCDMP C[C@@H](CC[N@@H+](C)Cc1ccccc1O)[NH+](C)Cc1ccccc1O ZINC000153450357 1294015180 /nfs/dbraw/zinc/01/51/80/1294015180.db2.gz IRZXYOMHAITGSR-INIZCTEOSA-N 2 1 328.456 3.440 20 10 EGCDMP C[C@@H](CC[NH+](C)Cc1ccccc1O)[N@H+](C)Cc1ccccc1O ZINC000153450357 1294015182 /nfs/dbraw/zinc/01/51/82/1294015182.db2.gz IRZXYOMHAITGSR-INIZCTEOSA-N 2 1 328.456 3.440 20 10 EGCDMP C[C@@H](CC[NH+](C)Cc1ccccc1O)[N@@H+](C)Cc1ccccc1O ZINC000153450357 1294015189 /nfs/dbraw/zinc/01/51/89/1294015189.db2.gz IRZXYOMHAITGSR-INIZCTEOSA-N 2 1 328.456 3.440 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1O ZINC000705207874 1298213220 /nfs/dbraw/zinc/21/32/20/1298213220.db2.gz VFKLVVNZMLSKOA-CYBMUJFWSA-N 2 1 341.293 3.237 20 10 EGCDMP Cc1cc(Br)cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1O ZINC000705207874 1298213232 /nfs/dbraw/zinc/21/32/32/1298213232.db2.gz VFKLVVNZMLSKOA-CYBMUJFWSA-N 2 1 341.293 3.237 20 10 EGCDMP Cc1cc(Br)cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000705207874 1298213240 /nfs/dbraw/zinc/21/32/40/1298213240.db2.gz VFKLVVNZMLSKOA-CYBMUJFWSA-N 2 1 341.293 3.237 20 10 EGCDMP CC[NH+]1CCN(CCCC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756408105 1300485463 /nfs/dbraw/zinc/48/54/63/1300485463.db2.gz JXSAAWPDUUYNDH-RDJZCZTQSA-N 2 1 349.494 3.087 20 10 EGCDMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1c(O)cccc1F ZINC000886506420 1303480196 /nfs/dbraw/zinc/48/01/96/1303480196.db2.gz RNJVUVDXLPMAIC-CQSZACIVSA-N 2 1 332.419 3.323 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCc4ccccc4C3)cc2)CC1 ZINC000775678467 1304012968 /nfs/dbraw/zinc/01/29/68/1304012968.db2.gz ZUJZCQPZJJUVAX-UHFFFAOYSA-N 2 1 335.495 3.387 20 10 EGCDMP CCCO[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775687561 1304016079 /nfs/dbraw/zinc/01/60/79/1304016079.db2.gz FHHJDSKWRHCZBO-OAQYLSRUSA-N 2 1 345.531 3.220 20 10 EGCDMP CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775735589 1304023871 /nfs/dbraw/zinc/02/38/71/1304023871.db2.gz SQOKONIAVSFYMX-QGZVFWFLSA-N 2 1 335.561 3.402 20 10 EGCDMP Oc1ccc(F)cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000793239032 1309327198 /nfs/dbraw/zinc/32/71/98/1309327198.db2.gz BMKVWFVWZPDZSU-HDICACEKSA-N 2 1 326.415 3.095 20 10 EGCDMP Oc1ccc(F)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000793239032 1309327208 /nfs/dbraw/zinc/32/72/08/1309327208.db2.gz BMKVWFVWZPDZSU-HDICACEKSA-N 2 1 326.415 3.095 20 10 EGCDMP Oc1ccc(F)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000793239032 1309327218 /nfs/dbraw/zinc/32/72/18/1309327218.db2.gz BMKVWFVWZPDZSU-HDICACEKSA-N 2 1 326.415 3.095 20 10 EGCDMP Oc1ccc(F)cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000793239032 1309327225 /nfs/dbraw/zinc/32/72/25/1309327225.db2.gz BMKVWFVWZPDZSU-HDICACEKSA-N 2 1 326.415 3.095 20 10 EGCDMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C)cc1O ZINC000794811306 1309599969 /nfs/dbraw/zinc/59/99/69/1309599969.db2.gz WTRRIIFALZVDNS-HKUYNNGSSA-N 2 1 332.488 3.385 20 10 EGCDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1c(O)cccc1OC ZINC000809739999 1317885551 /nfs/dbraw/zinc/88/55/51/1317885551.db2.gz XODZRDLDQBRPBP-UHFFFAOYSA-N 2 1 328.456 3.485 20 10 EGCDMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000817981259 1319485237 /nfs/dbraw/zinc/48/52/37/1319485237.db2.gz QSFCFKPJCZWBHP-FXAWDEMLSA-N 2 1 331.504 3.096 20 10 EGCDMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000916835383 1319712878 /nfs/dbraw/zinc/71/28/78/1319712878.db2.gz YEHJICILEKWZDW-QGZVFWFLSA-N 2 1 346.475 3.017 20 10 EGCDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000916835383 1319712885 /nfs/dbraw/zinc/71/28/85/1319712885.db2.gz YEHJICILEKWZDW-QGZVFWFLSA-N 2 1 346.475 3.017 20 10 EGCDMP CC[N@H+](Cc1cc(Br)ccc1O)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000841009373 1321199463 /nfs/dbraw/zinc/19/94/63/1321199463.db2.gz NVBIQDUEPFKUJG-OLZOCXBDSA-N 2 1 341.293 3.365 20 10 EGCDMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000841072061 1321214104 /nfs/dbraw/zinc/21/41/04/1321214104.db2.gz MDSJSEODVNEYLV-AWEZNQCLSA-N 2 1 340.309 3.266 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843052015 1321461906 /nfs/dbraw/zinc/46/19/06/1321461906.db2.gz OCJHYFUBQBKJIP-NEPJUHHUSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1O ZINC000843059269 1321463687 /nfs/dbraw/zinc/46/36/87/1321463687.db2.gz ITIJWUUBPHLNQM-NILFDRSVSA-N 2 1 339.277 3.022 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CCC4)CC3)cc2F)CC1 ZINC001324002811 1387506661 /nfs/dbraw/zinc/50/66/61/1387506661.db2.gz UMDLYCNJNVGDRS-UHFFFAOYSA-N 2 1 331.479 3.344 20 10 EGCDMP CC(C)[N@@H+](Cc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001204604159 1370529015 /nfs/dbraw/zinc/52/90/15/1370529015.db2.gz CCKXQTXNQYXBCX-UHFFFAOYSA-N 2 1 339.483 3.212 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)c2c1 ZINC001205580359 1370798498 /nfs/dbraw/zinc/79/84/98/1370798498.db2.gz SPOIOILFVBUZCX-IBGZPJMESA-N 2 1 332.419 3.207 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(OC)c1 ZINC001206547736 1371090170 /nfs/dbraw/zinc/09/01/70/1371090170.db2.gz FSMCOIIYMHRBSE-FQEVSTJZSA-N 2 1 333.520 3.492 20 10 EGCDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001206563888 1371095032 /nfs/dbraw/zinc/09/50/32/1371095032.db2.gz JTJGHVBFIJFVKY-HNNXBMFYSA-N 2 1 332.366 3.242 20 10 EGCDMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(O)cc1Br ZINC001206809402 1371175474 /nfs/dbraw/zinc/17/54/74/1371175474.db2.gz LPMUYZNJKSIWJC-NWDGAFQWSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(O)cc1Br ZINC001206809402 1371175484 /nfs/dbraw/zinc/17/54/84/1371175484.db2.gz LPMUYZNJKSIWJC-NWDGAFQWSA-N 2 1 327.266 3.022 20 10 EGCDMP COc1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)cc(C[NH+](C)C)c1O ZINC001139252860 1377857893 /nfs/dbraw/zinc/85/78/93/1377857893.db2.gz BYIBYQMRMREMQC-SFHVURJKSA-N 2 1 340.467 3.452 20 10 EGCDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3c(c1O)C=CC(C)(C)O3)C2 ZINC001277423931 1378222795 /nfs/dbraw/zinc/22/27/95/1378222795.db2.gz WJKFQYZVFACXQB-OAQYLSRUSA-N 2 1 342.483 3.494 20 10 EGCDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc3c(c1O)C=CC(C)(C)O3)C2 ZINC001277423931 1378222798 /nfs/dbraw/zinc/22/27/98/1378222798.db2.gz WJKFQYZVFACXQB-OAQYLSRUSA-N 2 1 342.483 3.494 20 10 EGCDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc3c(c1O)C=CC(C)(C)O3)C2 ZINC001277423931 1378222802 /nfs/dbraw/zinc/22/28/02/1378222802.db2.gz WJKFQYZVFACXQB-OAQYLSRUSA-N 2 1 342.483 3.494 20 10 EGCDMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cccc(C(C)(C)C)c1O)CC2 ZINC001143107859 1378542080 /nfs/dbraw/zinc/54/20/80/1378542080.db2.gz DIFWZBGNFBYWGI-UHFFFAOYSA-N 2 1 345.487 3.320 20 10 EGCDMP C[NH+](C)CC1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144299785 1378713445 /nfs/dbraw/zinc/71/34/45/1378713445.db2.gz IGIZVFRJDZIJQD-UHFFFAOYSA-N 2 1 345.256 3.067 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)cc2F)CC1 ZINC001319925144 1386394901 /nfs/dbraw/zinc/39/49/01/1386394901.db2.gz CILDZLMQKBWUAM-HXUWFJFHSA-N 2 1 342.462 3.243 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)cc2F)CC1 ZINC001319925144 1386394907 /nfs/dbraw/zinc/39/49/07/1386394907.db2.gz CILDZLMQKBWUAM-HXUWFJFHSA-N 2 1 342.462 3.243 20 10 EGCDMP CCOc1ccc(N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)cc1 ZINC001320449522 1386611997 /nfs/dbraw/zinc/61/19/97/1386611997.db2.gz ZERSKNZXYBQGKS-UHFFFAOYSA-N 2 1 342.487 3.193 20 10 EGCDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC001340513667 1390302721 /nfs/dbraw/zinc/30/27/21/1390302721.db2.gz HQFPTOJVTRONKF-IRXDYDNUSA-N 2 1 349.494 3.045 20 10 EGCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Br)ccc1O ZINC000290589063 456375421 /nfs/dbraw/zinc/37/54/21/456375421.db2.gz VDNNTGJIKJVSBJ-UHFFFAOYSA-N 2 1 338.249 3.182 20 10 EGCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Br)ccc1O ZINC000290589063 456375429 /nfs/dbraw/zinc/37/54/29/456375429.db2.gz VDNNTGJIKJVSBJ-UHFFFAOYSA-N 2 1 338.249 3.182 20 10 EGCDMP Cc1ccc(O)c(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000092587460 454590599 /nfs/dbraw/zinc/59/05/99/454590599.db2.gz CZXYKBKBCGVREU-CALCHBBNSA-N 2 1 332.488 3.022 20 10 EGCDMP CCOCc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000171764712 455092998 /nfs/dbraw/zinc/09/29/98/455092998.db2.gz OEHSCPSNTIFRCT-OAHLLOKOSA-N 2 1 331.460 3.163 20 10 EGCDMP COc1ccc(O)c(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000180064465 455126345 /nfs/dbraw/zinc/12/63/45/455126345.db2.gz LUVUWIVAXAGOJK-UHFFFAOYSA-N 2 1 340.467 3.497 20 10 EGCDMP COc1ccc(O)c(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000180064465 455126349 /nfs/dbraw/zinc/12/63/49/455126349.db2.gz LUVUWIVAXAGOJK-UHFFFAOYSA-N 2 1 340.467 3.497 20 10 EGCDMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)cc1O ZINC000185054961 455492816 /nfs/dbraw/zinc/49/28/16/455492816.db2.gz OJVDHAGPDDTMRF-CQSZACIVSA-N 2 1 332.419 3.323 20 10 EGCDMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2F)C[C@H](C)O1 ZINC000268841064 455715547 /nfs/dbraw/zinc/71/55/47/455715547.db2.gz HTWBEPXUXMJKKR-LISAXSMJSA-N 2 1 349.494 3.012 20 10 EGCDMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2F)C[C@H](C)O1 ZINC000268841064 455715556 /nfs/dbraw/zinc/71/55/56/455715556.db2.gz HTWBEPXUXMJKKR-LISAXSMJSA-N 2 1 349.494 3.012 20 10 EGCDMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(C)cc1O ZINC000280097653 455890531 /nfs/dbraw/zinc/89/05/31/455890531.db2.gz MWRZWHOLDLEWOH-IBGZPJMESA-N 2 1 333.520 3.159 20 10 EGCDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000152034743 1293950773 /nfs/dbraw/zinc/95/07/73/1293950773.db2.gz HMEFGQNGHDYZIQ-JKSUJKDBSA-N 2 1 346.471 3.207 20 10 EGCDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000152034743 1293950776 /nfs/dbraw/zinc/95/07/76/1293950776.db2.gz HMEFGQNGHDYZIQ-JKSUJKDBSA-N 2 1 346.471 3.207 20 10 EGCDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000152034743 1293950783 /nfs/dbraw/zinc/95/07/83/1293950783.db2.gz HMEFGQNGHDYZIQ-JKSUJKDBSA-N 2 1 346.471 3.207 20 10 EGCDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000152034743 1293950785 /nfs/dbraw/zinc/95/07/85/1293950785.db2.gz HMEFGQNGHDYZIQ-JKSUJKDBSA-N 2 1 346.471 3.207 20 10 EGCDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000172506474 1294438448 /nfs/dbraw/zinc/43/84/48/1294438448.db2.gz HTBKUDSQCQSXDP-AWEZNQCLSA-N 2 1 328.456 3.401 20 10 EGCDMP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(O)cc1C ZINC000245513673 1296309789 /nfs/dbraw/zinc/30/97/89/1296309789.db2.gz DIHFFPCDYQKTTG-MAUKXSAKSA-N 2 1 330.472 3.158 20 10 EGCDMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(O)cc1C ZINC000245513673 1296309806 /nfs/dbraw/zinc/30/98/06/1296309806.db2.gz DIHFFPCDYQKTTG-MAUKXSAKSA-N 2 1 330.472 3.158 20 10 EGCDMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(O)cc1C ZINC000245513673 1296309820 /nfs/dbraw/zinc/30/98/20/1296309820.db2.gz DIHFFPCDYQKTTG-MAUKXSAKSA-N 2 1 330.472 3.158 20 10 EGCDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756792198 1300566920 /nfs/dbraw/zinc/56/69/20/1300566920.db2.gz ZVBDVGJWTNLRCY-SNVBAGLBSA-N 2 1 343.240 3.206 20 10 EGCDMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(Br)c(F)cc1O ZINC000756792198 1300566923 /nfs/dbraw/zinc/56/69/23/1300566923.db2.gz ZVBDVGJWTNLRCY-SNVBAGLBSA-N 2 1 343.240 3.206 20 10 EGCDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Br)c(F)cc1O ZINC000756792198 1300566928 /nfs/dbraw/zinc/56/69/28/1300566928.db2.gz ZVBDVGJWTNLRCY-SNVBAGLBSA-N 2 1 343.240 3.206 20 10 EGCDMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000762648980 1301721933 /nfs/dbraw/zinc/72/19/33/1301721933.db2.gz KLNCKPAZKOANPK-FXAWDEMLSA-N 2 1 333.520 3.294 20 10 EGCDMP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1c(O)cccc1F ZINC000886506419 1303480628 /nfs/dbraw/zinc/48/06/28/1303480628.db2.gz RNJVUVDXLPMAIC-AWEZNQCLSA-N 2 1 332.419 3.323 20 10 EGCDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000772998428 1303604114 /nfs/dbraw/zinc/60/41/14/1303604114.db2.gz KNSNYHAVQIQZLI-AZUAARDMSA-N 2 1 347.547 3.288 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4sccc4C3)cc2)CC1 ZINC000775645251 1304001369 /nfs/dbraw/zinc/00/13/69/1304001369.db2.gz HYRDKVZAMHCUIF-UHFFFAOYSA-N 2 1 327.497 3.058 20 10 EGCDMP Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775644139 1304001976 /nfs/dbraw/zinc/00/19/76/1304001976.db2.gz CPMNFIDVZRYBMK-NRFANRHFSA-N 2 1 338.499 3.114 20 10 EGCDMP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793764220 1309437015 /nfs/dbraw/zinc/43/70/15/1309437015.db2.gz FVFTYGZVORTXGP-HXUWFJFHSA-N 2 1 332.488 3.226 20 10 EGCDMP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793764220 1309437020 /nfs/dbraw/zinc/43/70/20/1309437020.db2.gz FVFTYGZVORTXGP-HXUWFJFHSA-N 2 1 332.488 3.226 20 10 EGCDMP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793764220 1309437029 /nfs/dbraw/zinc/43/70/29/1309437029.db2.gz FVFTYGZVORTXGP-HXUWFJFHSA-N 2 1 332.488 3.226 20 10 EGCDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000904406455 1317843477 /nfs/dbraw/zinc/84/34/77/1317843477.db2.gz VPEJRAUSLQESKB-INIZCTEOSA-N 2 1 326.440 3.142 20 10 EGCDMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(N2CCOCC2)cc1 ZINC000809749152 1317889706 /nfs/dbraw/zinc/88/97/06/1317889706.db2.gz KSFOSLBFGUNXLQ-UHFFFAOYSA-N 2 1 333.520 3.077 20 10 EGCDMP Nc1ccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000841036880 1321205697 /nfs/dbraw/zinc/20/56/97/1321205697.db2.gz WYFANTXHTDAOQJ-UHFFFAOYSA-N 2 1 341.474 3.247 20 10 EGCDMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843052886 1321462189 /nfs/dbraw/zinc/46/21/89/1321462189.db2.gz XOYDWZLCIFUOSM-NVXWUHKLSA-N 2 1 346.475 3.144 20 10 EGCDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843052886 1321462195 /nfs/dbraw/zinc/46/21/95/1321462195.db2.gz XOYDWZLCIFUOSM-NVXWUHKLSA-N 2 1 346.475 3.144 20 10 EGCDMP C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)CC(C)(C)C[NH3+] ZINC000843055965 1321462849 /nfs/dbraw/zinc/46/28/49/1321462849.db2.gz BABRLXXIWKGPRM-UHFFFAOYSA-N 2 1 328.456 3.388 20 10 EGCDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000843058751 1321463653 /nfs/dbraw/zinc/46/36/53/1321463653.db2.gz XJEIGSHDXCBLPN-NVXWUHKLSA-N 2 1 326.440 3.140 20 10 EGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(C(F)(F)F)c1 ZINC000843113189 1321472511 /nfs/dbraw/zinc/47/25/11/1321472511.db2.gz OJZMNHWSORJGQW-CYBMUJFWSA-N 2 1 329.410 3.332 20 10 EGCDMP Oc1ccc(Cl)c(F)c1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000849350718 1322117043 /nfs/dbraw/zinc/11/70/43/1322117043.db2.gz SROWJXHOKNQRNX-ZDUSSCGKSA-N 2 1 326.843 3.396 20 10 EGCDMP Oc1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1O ZINC001203880859 1370298421 /nfs/dbraw/zinc/29/84/21/1370298421.db2.gz JFPSFAOUPKEIMF-OALUTQOASA-N 2 1 338.451 3.052 20 10 EGCDMP c1c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc2c3c1CCCN3CCC2 ZINC001204735344 1370559240 /nfs/dbraw/zinc/55/92/40/1370559240.db2.gz PTUOZUZLQZSWRY-UHFFFAOYSA-N 2 1 339.527 3.351 20 10 EGCDMP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(O)cc1Br ZINC001205296351 1370711309 /nfs/dbraw/zinc/71/13/09/1370711309.db2.gz NFUAWNRTXATELY-OAHLLOKOSA-N 2 1 327.266 3.166 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1O ZINC001205638849 1370823274 /nfs/dbraw/zinc/82/32/74/1370823274.db2.gz SOXRSNNBZRZXCD-DGCLKSJQSA-N 2 1 341.293 3.270 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)c2c1 ZINC001205638481 1370823337 /nfs/dbraw/zinc/82/33/37/1370823337.db2.gz OLOHPMZHUXYQNZ-GOEBONIOSA-N 2 1 328.456 3.361 20 10 EGCDMP Oc1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430888 1376871511 /nfs/dbraw/zinc/87/15/11/1376871511.db2.gz YKFKSKHZOLDWTO-QWHCGFSZSA-N 2 1 326.843 3.396 20 10 EGCDMP Oc1cc(Cl)c(F)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430888 1376871513 /nfs/dbraw/zinc/87/15/13/1376871513.db2.gz YKFKSKHZOLDWTO-QWHCGFSZSA-N 2 1 326.843 3.396 20 10 EGCDMP COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C2CCC3(C[NH2+]C3)CC2)C1 ZINC001246822467 1377055269 /nfs/dbraw/zinc/05/52/69/1377055269.db2.gz LFDONPZBSJYBSV-UHFFFAOYSA-N 2 1 339.483 3.077 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](F)C(F)(F)CC3)cc2)CC1 ZINC001139404704 1377879714 /nfs/dbraw/zinc/87/97/14/1377879714.db2.gz WJRKXHFSICSNRY-KRWDZBQOSA-N 2 1 341.421 3.008 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC(F)(F)[C@H](C)C3)cc2)CC1 ZINC001140302468 1378042926 /nfs/dbraw/zinc/04/29/26/1378042926.db2.gz RRWUNWWXKFOHNJ-MRXNPFEDSA-N 2 1 337.458 3.306 20 10 EGCDMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c(O)c1 ZINC001140949726 1378190683 /nfs/dbraw/zinc/19/06/83/1378190683.db2.gz JTOFIPGMXXNISA-PZJWPPBQSA-N 2 1 344.499 3.023 20 10 EGCDMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c(O)c1 ZINC001140949726 1378190687 /nfs/dbraw/zinc/19/06/87/1378190687.db2.gz JTOFIPGMXXNISA-PZJWPPBQSA-N 2 1 344.499 3.023 20 10 EGCDMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c(O)c1 ZINC001140949726 1378190690 /nfs/dbraw/zinc/19/06/90/1378190690.db2.gz JTOFIPGMXXNISA-PZJWPPBQSA-N 2 1 344.499 3.023 20 10 EGCDMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c(O)c1 ZINC001140949726 1378190693 /nfs/dbraw/zinc/19/06/93/1378190693.db2.gz JTOFIPGMXXNISA-PZJWPPBQSA-N 2 1 344.499 3.023 20 10 EGCDMP Oc1ccc(O)c(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001141159463 1378254679 /nfs/dbraw/zinc/25/46/79/1378254679.db2.gz GVGQICXRLNISDB-OAQYLSRUSA-N 2 1 338.451 3.196 20 10 EGCDMP Oc1ccc(O)c(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001141159463 1378254686 /nfs/dbraw/zinc/25/46/86/1378254686.db2.gz GVGQICXRLNISDB-OAQYLSRUSA-N 2 1 338.451 3.196 20 10 EGCDMP Oc1ccc(O)c(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001141159463 1378254689 /nfs/dbraw/zinc/25/46/89/1378254689.db2.gz GVGQICXRLNISDB-OAQYLSRUSA-N 2 1 338.451 3.196 20 10 EGCDMP Oc1ccc(O)c(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001141159463 1378254692 /nfs/dbraw/zinc/25/46/92/1378254692.db2.gz GVGQICXRLNISDB-OAQYLSRUSA-N 2 1 338.451 3.196 20 10 EGCDMP C[N@@H+](Cc1c(O)cc(O)cc1O)C1CC[NH+](C2CCCCC2)CC1 ZINC001144515865 1378739877 /nfs/dbraw/zinc/73/98/77/1378739877.db2.gz HGJWPSBGWUEHEP-UHFFFAOYSA-N 2 1 334.460 3.032 20 10 EGCDMP CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC[NH+](CCCOC)CC1 ZINC001172254330 1384757059 /nfs/dbraw/zinc/75/70/59/1384757059.db2.gz KPKFHWAZUAPWQI-UHFFFAOYSA-N 2 1 333.520 3.075 20 10 EGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC[NH+](CCCOC)CC1 ZINC001172254330 1384757062 /nfs/dbraw/zinc/75/70/62/1384757062.db2.gz KPKFHWAZUAPWQI-UHFFFAOYSA-N 2 1 333.520 3.075 20 10 EGCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1O ZINC000183723613 455323368 /nfs/dbraw/zinc/32/33/68/455323368.db2.gz CSLDNUFOMQPZEA-VQIMIIECSA-N 2 1 340.467 3.200 20 10 EGCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066929 454512729 /nfs/dbraw/zinc/51/27/29/454512729.db2.gz WYWNARJQEWQEJJ-DNVCBOLYSA-N 2 1 330.472 3.240 20 10 EGCDMP CCOc1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000092066929 454512732 /nfs/dbraw/zinc/51/27/32/454512732.db2.gz WYWNARJQEWQEJJ-DNVCBOLYSA-N 2 1 330.472 3.240 20 10 EGCDMP CCOc1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000092066929 454512736 /nfs/dbraw/zinc/51/27/36/454512736.db2.gz WYWNARJQEWQEJJ-DNVCBOLYSA-N 2 1 330.472 3.240 20 10 EGCDMP Oc1cccc2c1[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000295844720 455861981 /nfs/dbraw/zinc/86/19/81/455861981.db2.gz FSHVCPBNTSWZSZ-IBGZPJMESA-N 2 1 338.451 3.002 20 10 EGCDMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1O ZINC000290161778 456256744 /nfs/dbraw/zinc/25/67/44/456256744.db2.gz DGGQFWSJCZWOQG-CQSZACIVSA-N 2 1 347.434 3.108 20 10 EGCDMP Oc1c(Br)cccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000843045025 1321460347 /nfs/dbraw/zinc/46/03/47/1321460347.db2.gz GKGNAOVFHKUHFV-HNNXBMFYSA-N 2 1 339.277 3.119 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1O ZINC000158032931 1294194547 /nfs/dbraw/zinc/19/45/47/1294194547.db2.gz FFMZOYFAHQPJPA-UHFFFAOYSA-N 2 1 341.293 3.237 20 10 EGCDMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000161604057 1294296136 /nfs/dbraw/zinc/29/61/36/1294296136.db2.gz DBZDDGQJXGQXNA-MRXNPFEDSA-N 2 1 349.494 3.187 20 10 EGCDMP Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(O)c1 ZINC000876970267 1299095245 /nfs/dbraw/zinc/09/52/45/1299095245.db2.gz NCYGAZMXGVSFGU-QGZVFWFLSA-N 2 1 340.467 3.211 20 10 EGCDMP Cc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(O)c1 ZINC000876970267 1299095254 /nfs/dbraw/zinc/09/52/54/1299095254.db2.gz NCYGAZMXGVSFGU-QGZVFWFLSA-N 2 1 340.467 3.211 20 10 EGCDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000756409307 1300485662 /nfs/dbraw/zinc/48/56/62/1300485662.db2.gz YFXHOGXSAVFRBG-GOSISDBHSA-N 2 1 333.520 3.077 20 10 EGCDMP C[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000796255457 1309945509 /nfs/dbraw/zinc/94/55/09/1309945509.db2.gz DGJGSFCGBTTXME-UHFFFAOYSA-N 2 1 335.495 3.433 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC4(CCC4)[C@@H]3C3CC3)cc2)CC1 ZINC000811513608 1318191752 /nfs/dbraw/zinc/19/17/52/1318191752.db2.gz LIXPQBHQICLUBU-FQEVSTJZSA-N 2 1 325.500 3.203 20 10 EGCDMP CCc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c1O ZINC000848914685 1322044475 /nfs/dbraw/zinc/04/44/75/1322044475.db2.gz RBKSRJHOCMUPCN-DFNIBXOVSA-N 2 1 332.488 3.028 20 10 EGCDMP CCc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c1O ZINC000848914685 1322044479 /nfs/dbraw/zinc/04/44/79/1322044479.db2.gz RBKSRJHOCMUPCN-DFNIBXOVSA-N 2 1 332.488 3.028 20 10 EGCDMP CCc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c1O ZINC000848914685 1322044484 /nfs/dbraw/zinc/04/44/84/1322044484.db2.gz RBKSRJHOCMUPCN-DFNIBXOVSA-N 2 1 332.488 3.028 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(OC)c1 ZINC001205618413 1370813293 /nfs/dbraw/zinc/81/32/93/1370813293.db2.gz VTYLLWJTDZQIRP-SJORKVTESA-N 2 1 333.520 3.348 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(OC)c1 ZINC001205995865 1370933161 /nfs/dbraw/zinc/93/31/61/1370933161.db2.gz RENTZQZLSIUTEH-IRXDYDNUSA-N 2 1 333.520 3.348 20 10 EGCDMP C[C@H]([NH3+])c1ccc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001118018338 1371122036 /nfs/dbraw/zinc/12/20/36/1371122036.db2.gz GZLNCBNBJDWBRZ-HNNXBMFYSA-N 2 1 342.462 3.209 20 10 EGCDMP Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235032895 1376831910 /nfs/dbraw/zinc/83/19/10/1376831910.db2.gz MODWDSNTUYNDAX-FQEVSTJZSA-N 2 1 326.415 3.384 20 10 EGCDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC001138390339 1377714555 /nfs/dbraw/zinc/71/45/55/1377714555.db2.gz RVYHYYPMFFUBBQ-FQEVSTJZSA-N 2 1 331.504 3.069 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC001138390339 1377714561 /nfs/dbraw/zinc/71/45/61/1377714561.db2.gz RVYHYYPMFFUBBQ-FQEVSTJZSA-N 2 1 331.504 3.069 20 10 EGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(OC)c1 ZINC001138390339 1377714565 /nfs/dbraw/zinc/71/45/65/1377714565.db2.gz RVYHYYPMFFUBBQ-FQEVSTJZSA-N 2 1 331.504 3.069 20 10 EGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(OC)c1 ZINC001138390339 1377714568 /nfs/dbraw/zinc/71/45/68/1377714568.db2.gz RVYHYYPMFFUBBQ-FQEVSTJZSA-N 2 1 331.504 3.069 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C(F)F)C3)cc2)CC1 ZINC001140304561 1378042930 /nfs/dbraw/zinc/04/29/30/1378042930.db2.gz UXEVFNXJBIDSSP-QGZVFWFLSA-N 2 1 337.458 3.306 20 10 EGCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)Cc1ccccn1 ZINC001140306598 1378043891 /nfs/dbraw/zinc/04/38/91/1378043891.db2.gz VAZMMMFWRQCLAL-UHFFFAOYSA-N 2 1 338.499 3.246 20 10 EGCDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c(OC)c1 ZINC001141028848 1378213122 /nfs/dbraw/zinc/21/31/22/1378213122.db2.gz BYACRZGRVDCUSF-JKSUJKDBSA-N 2 1 348.487 3.248 20 10 EGCDMP CN1CCN(c2ccc(C[N@H+]3CC(C)(C)[C@@H]3C3CC3)cc2F)CC1 ZINC001343552192 1390722230 /nfs/dbraw/zinc/72/22/30/1390722230.db2.gz LCUFYLVVFGDSJN-IBGZPJMESA-N 2 1 331.479 3.198 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)[C@@H]3C3CC3)cc2F)CC1 ZINC001343552192 1390722233 /nfs/dbraw/zinc/72/22/33/1390722233.db2.gz LCUFYLVVFGDSJN-IBGZPJMESA-N 2 1 331.479 3.198 20 10 EGCDMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Br)ccc1O ZINC000181011547 455275839 /nfs/dbraw/zinc/27/58/39/455275839.db2.gz HQFCAKJBSMNJOG-VXGBXAGGSA-N 2 1 339.277 3.290 20 10 EGCDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000742374695 576775608 /nfs/dbraw/zinc/77/56/08/576775608.db2.gz CXOWXDPJFUUKQF-DOTOQJQBSA-N 2 1 346.475 3.157 20 10 EGCDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000742374695 576775610 /nfs/dbraw/zinc/77/56/10/576775610.db2.gz CXOWXDPJFUUKQF-DOTOQJQBSA-N 2 1 346.475 3.157 20 10 EGCDMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(O)cc1C ZINC000160459432 1294269237 /nfs/dbraw/zinc/26/92/37/1294269237.db2.gz DIHFFPCDYQKTTG-QAPCUYQASA-N 2 1 330.472 3.158 20 10 EGCDMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(O)cc1C ZINC000160459432 1294269241 /nfs/dbraw/zinc/26/92/41/1294269241.db2.gz DIHFFPCDYQKTTG-QAPCUYQASA-N 2 1 330.472 3.158 20 10 EGCDMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(O)cc1C ZINC000160459432 1294269247 /nfs/dbraw/zinc/26/92/47/1294269247.db2.gz DIHFFPCDYQKTTG-QAPCUYQASA-N 2 1 330.472 3.158 20 10 EGCDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(C)cc3O)CC2)oc1C ZINC000877009396 1299113188 /nfs/dbraw/zinc/11/31/88/1299113188.db2.gz ZKXXZJIYBSRTMD-UHFFFAOYSA-N 2 1 343.471 3.307 20 10 EGCDMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000765972596 1302358653 /nfs/dbraw/zinc/35/86/53/1302358653.db2.gz BHKMASPBELXFHU-OXQOHEQNSA-N 2 1 331.504 3.047 20 10 EGCDMP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1O ZINC000769133885 1303053902 /nfs/dbraw/zinc/05/39/02/1303053902.db2.gz MSZOMXXOXISAFZ-PXNSSMCTSA-N 2 1 339.483 3.032 20 10 EGCDMP COc1cc(C)cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1O ZINC000894433827 1308882447 /nfs/dbraw/zinc/88/24/47/1308882447.db2.gz DKBBFRKPYHRCOK-HOTGVXAUSA-N 2 1 332.488 3.452 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CC3CC3)CC3CCC3)cc2)CC1 ZINC000793390321 1309361963 /nfs/dbraw/zinc/36/19/63/1309361963.db2.gz ONJZHRWAUFTRRE-UHFFFAOYSA-N 2 1 327.516 3.451 20 10 EGCDMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858491001 1328777747 /nfs/dbraw/zinc/77/77/47/1328777747.db2.gz UYGPGQQVJRJBOI-IRXDYDNUSA-N 2 1 349.494 3.045 20 10 EGCDMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C(C)(C)C)cc(O)c3O)C2)C1 ZINC000840087428 1321025568 /nfs/dbraw/zinc/02/55/68/1321025568.db2.gz SFSVWJBMAFTADP-FQEVSTJZSA-N 2 1 332.488 3.313 20 10 EGCDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C(C)(C)C)cc(O)c3O)C2)C1 ZINC000840087428 1321025575 /nfs/dbraw/zinc/02/55/75/1321025575.db2.gz SFSVWJBMAFTADP-FQEVSTJZSA-N 2 1 332.488 3.313 20 10 EGCDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C(C)(C)C)cc(O)c3O)C2)C1 ZINC000840087428 1321025579 /nfs/dbraw/zinc/02/55/79/1321025579.db2.gz SFSVWJBMAFTADP-FQEVSTJZSA-N 2 1 332.488 3.313 20 10 EGCDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C(C)(C)C)cc(O)c3O)C2)C1 ZINC000840087428 1321025584 /nfs/dbraw/zinc/02/55/84/1321025584.db2.gz SFSVWJBMAFTADP-FQEVSTJZSA-N 2 1 332.488 3.313 20 10 EGCDMP C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000841099574 1321218030 /nfs/dbraw/zinc/21/80/30/1321218030.db2.gz MGGDBOXJGAVCDI-DOTOQJQBSA-N 2 1 346.475 3.002 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000841099574 1321218034 /nfs/dbraw/zinc/21/80/34/1321218034.db2.gz MGGDBOXJGAVCDI-DOTOQJQBSA-N 2 1 346.475 3.002 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1O ZINC000843043885 1321460637 /nfs/dbraw/zinc/46/06/37/1321460637.db2.gz PEJBHBGRZIMLJY-UHFFFAOYSA-N 2 1 339.277 3.180 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000843113545 1321472679 /nfs/dbraw/zinc/47/26/79/1321472679.db2.gz WOJMHWJVIMPJOX-GFCCVEGCSA-N 2 1 327.266 3.024 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000843113545 1321472685 /nfs/dbraw/zinc/47/26/85/1321472685.db2.gz WOJMHWJVIMPJOX-GFCCVEGCSA-N 2 1 327.266 3.024 20 10 EGCDMP COc1cccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1O ZINC000846144369 1321771357 /nfs/dbraw/zinc/77/13/57/1321771357.db2.gz LXRQFAGZBNOMEU-CYBMUJFWSA-N 2 1 338.411 3.141 20 10 EGCDMP CC[N@@H+](CCCCCC[NH3+])Cc1cc(Br)ccc1O ZINC000846219065 1321777537 /nfs/dbraw/zinc/77/75/37/1321777537.db2.gz FCKVIPWSUBPAHR-UHFFFAOYSA-N 2 1 329.282 3.496 20 10 EGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000863646703 1329570140 /nfs/dbraw/zinc/57/01/40/1329570140.db2.gz XTTOPUPYKCCIDA-GDBMZVCRSA-N 2 1 329.410 3.020 20 10 EGCDMP Cc1cccc(F)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323188938 1387308620 /nfs/dbraw/zinc/30/86/20/1387308620.db2.gz BUSYXAIUULOILL-UHFFFAOYSA-N 2 1 345.437 3.315 20 10 EGCDMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC001203645751 1370199617 /nfs/dbraw/zinc/19/96/17/1370199617.db2.gz PFTMNLKJGUJLPP-UHFFFAOYSA-N 2 1 339.277 3.072 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1O ZINC001205288962 1370708390 /nfs/dbraw/zinc/70/83/90/1370708390.db2.gz QSBSKBWXDDQPIZ-OAHLLOKOSA-N 2 1 327.266 3.166 20 10 EGCDMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001205332490 1370723597 /nfs/dbraw/zinc/72/35/97/1370723597.db2.gz QFYCVMCCWSFVRV-MRXNPFEDSA-N 2 1 326.440 3.155 20 10 EGCDMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001205332490 1370723601 /nfs/dbraw/zinc/72/36/01/1370723601.db2.gz QFYCVMCCWSFVRV-MRXNPFEDSA-N 2 1 326.440 3.155 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCC(F)(F)C3)cc2F)CC1 ZINC001326918775 1388350921 /nfs/dbraw/zinc/35/09/21/1388350921.db2.gz YFCZTGHXPVGECS-OAHLLOKOSA-N 2 1 341.421 3.103 20 10 EGCDMP COc1cc(O)c(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1Cl ZINC001232271672 1376428088 /nfs/dbraw/zinc/42/80/88/1376428088.db2.gz ZVBYQPWGWBVJRS-UHFFFAOYSA-N 2 1 347.846 3.080 20 10 EGCDMP Oc1ccc(OCc2ccccc2)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235031366 1376831614 /nfs/dbraw/zinc/83/16/14/1376831614.db2.gz FWKYDHPVHXCPCT-NRFANRHFSA-N 2 1 338.451 3.157 20 10 EGCDMP CCC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)C[C@H]1CC[NH2+]C1 ZINC001236843010 1376965941 /nfs/dbraw/zinc/96/59/41/1376965941.db2.gz JSVYLSJNPNCTSY-HNNXBMFYSA-N 2 1 328.456 3.376 20 10 EGCDMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)Cc1ccccc1O ZINC001138773175 1377782475 /nfs/dbraw/zinc/78/24/75/1377782475.db2.gz UVTHSNJTYMJRLW-UHFFFAOYSA-N 2 1 328.456 3.355 20 10 EGCDMP COc1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc(C[NH+](C)C)c1O ZINC001139257362 1377858434 /nfs/dbraw/zinc/85/84/34/1377858434.db2.gz YLOHTVQSXJVLJE-GOSISDBHSA-N 2 1 341.455 3.195 20 10 EGCDMP Cc1cc(C)c(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c(O)c1 ZINC001276365905 1378173739 /nfs/dbraw/zinc/17/37/39/1378173739.db2.gz WPHWDNDPFGUGJS-RTWAWAEBSA-N 2 1 345.531 3.095 20 10 EGCDMP CN1CCOc2cc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)ccc21 ZINC001141142969 1378248680 /nfs/dbraw/zinc/24/86/80/1378248680.db2.gz IHZZOBCFJYWWKB-IBGZPJMESA-N 2 1 343.515 3.356 20 10 EGCDMP CN1CCOc2cc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)ccc21 ZINC001141142969 1378248682 /nfs/dbraw/zinc/24/86/82/1378248682.db2.gz IHZZOBCFJYWWKB-IBGZPJMESA-N 2 1 343.515 3.356 20 10 EGCDMP Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c2[nH+]ccn2c1 ZINC001167434191 1383632847 /nfs/dbraw/zinc/63/28/47/1383632847.db2.gz FCQQSTIQTTUMSN-UHFFFAOYSA-N 2 1 335.455 3.007 20 10 EGCDMP COCCC[NH+]1CCC([N@H+](C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001172255552 1384757329 /nfs/dbraw/zinc/75/73/29/1384757329.db2.gz VRZLHVWPQKHCQJ-UHFFFAOYSA-N 2 1 345.531 3.220 20 10 EGCDMP COCCC[NH+]1CCC([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001172255552 1384757330 /nfs/dbraw/zinc/75/73/30/1384757330.db2.gz VRZLHVWPQKHCQJ-UHFFFAOYSA-N 2 1 345.531 3.220 20 10 EGCDMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001320181269 1386550288 /nfs/dbraw/zinc/55/02/88/1386550288.db2.gz VYYSHVNZHAHBAO-LJQANCHMSA-N 2 1 338.499 3.475 20 10 EGCDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1O ZINC000183723597 455323202 /nfs/dbraw/zinc/32/32/02/455323202.db2.gz CSLDNUFOMQPZEA-QFBILLFUSA-N 2 1 340.467 3.200 20 10 EGCDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000164582301 454885646 /nfs/dbraw/zinc/88/56/46/454885646.db2.gz ZHKFBJKPERFCBO-KRWDZBQOSA-N 2 1 342.487 3.159 20 10 EGCDMP CC[C@@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)[NH+]1CCCC1 ZINC000151685195 455016814 /nfs/dbraw/zinc/01/68/14/455016814.db2.gz VKZBAQCAKQBREO-SFHVURJKSA-N 2 1 331.504 3.128 20 10 EGCDMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185314572 455538020 /nfs/dbraw/zinc/53/80/20/455538020.db2.gz DKMZWRGMNUTPNA-INIZCTEOSA-N 2 1 346.515 3.423 20 10 EGCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000277635494 455620188 /nfs/dbraw/zinc/62/01/88/455620188.db2.gz KQQLZFGHXHWQAW-UHFFFAOYSA-N 2 1 347.459 3.081 20 10 EGCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000277635494 455620194 /nfs/dbraw/zinc/62/01/94/455620194.db2.gz KQQLZFGHXHWQAW-UHFFFAOYSA-N 2 1 347.459 3.081 20 10 EGCDMP CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1O ZINC000286191319 455996966 /nfs/dbraw/zinc/99/69/66/455996966.db2.gz QVZVKGUHBCXRQL-QGZVFWFLSA-N 2 1 347.434 3.108 20 10 EGCDMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273439673 456231943 /nfs/dbraw/zinc/23/19/43/456231943.db2.gz YBXYLYNDZKOXSJ-GJZGRUSLSA-N 2 1 336.476 3.340 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000843059509 1321463630 /nfs/dbraw/zinc/46/36/30/1321463630.db2.gz NOMSNVMKQIREFR-CORIIIEPSA-N 2 1 339.277 3.022 20 10 EGCDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000173498594 1294463870 /nfs/dbraw/zinc/46/38/70/1294463870.db2.gz IPZIOAKBFRUBJW-OAHLLOKOSA-N 2 1 328.456 3.328 20 10 EGCDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000173498594 1294463873 /nfs/dbraw/zinc/46/38/73/1294463873.db2.gz IPZIOAKBFRUBJW-OAHLLOKOSA-N 2 1 328.456 3.328 20 10 EGCDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000173498594 1294463875 /nfs/dbraw/zinc/46/38/75/1294463875.db2.gz IPZIOAKBFRUBJW-OAHLLOKOSA-N 2 1 328.456 3.328 20 10 EGCDMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000702555050 1298195731 /nfs/dbraw/zinc/19/57/31/1298195731.db2.gz YKBLNBXNRJWGPE-TZIWHRDSSA-N 2 1 340.467 3.070 20 10 EGCDMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000702555050 1298195737 /nfs/dbraw/zinc/19/57/37/1298195737.db2.gz YKBLNBXNRJWGPE-TZIWHRDSSA-N 2 1 340.467 3.070 20 10 EGCDMP COc1ccc(O)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000708563437 1298244086 /nfs/dbraw/zinc/24/40/86/1298244086.db2.gz XIECOEQKFSIEQX-VQIMIIECSA-N 2 1 340.467 3.259 20 10 EGCDMP Oc1ccc2ccncc2c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000772827787 1303583641 /nfs/dbraw/zinc/58/36/41/1303583641.db2.gz KAITVLSAWLBYRM-JXFKEZNVSA-N 2 1 337.467 3.389 20 10 EGCDMP Oc1ccc2ccncc2c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000772827787 1303583649 /nfs/dbraw/zinc/58/36/49/1303583649.db2.gz KAITVLSAWLBYRM-JXFKEZNVSA-N 2 1 337.467 3.389 20 10 EGCDMP Oc1ccc2ccncc2c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000772827787 1303583656 /nfs/dbraw/zinc/58/36/56/1303583656.db2.gz KAITVLSAWLBYRM-JXFKEZNVSA-N 2 1 337.467 3.389 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4c(F)cccc4C3)cc2)CC1 ZINC000775688814 1304015931 /nfs/dbraw/zinc/01/59/31/1304015931.db2.gz BKUNLZCYJSCJKS-UHFFFAOYSA-N 2 1 339.458 3.136 20 10 EGCDMP CC(C)[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCS1 ZINC000775735101 1304024589 /nfs/dbraw/zinc/02/45/89/1304024589.db2.gz HDQAWQVQGASQST-LJQANCHMSA-N 2 1 333.545 3.012 20 10 EGCDMP COc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c(O)c1OC ZINC000892585947 1305453335 /nfs/dbraw/zinc/45/33/35/1305453335.db2.gz YZCVLVGFOIQDLL-HNNXBMFYSA-N 2 1 336.476 3.154 20 10 EGCDMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000858127445 1328689671 /nfs/dbraw/zinc/68/96/71/1328689671.db2.gz FMVIRXWMEQYBOF-ZDUSSCGKSA-N 2 1 341.293 3.365 20 10 EGCDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000858127445 1328689676 /nfs/dbraw/zinc/68/96/76/1328689676.db2.gz FMVIRXWMEQYBOF-ZDUSSCGKSA-N 2 1 341.293 3.365 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3cccnc3)cc2)CC1 ZINC000809729272 1317880571 /nfs/dbraw/zinc/88/05/71/1317880571.db2.gz RWIVYJBNACIREV-NRFANRHFSA-N 2 1 336.483 3.171 20 10 EGCDMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000810263722 1317989420 /nfs/dbraw/zinc/98/94/20/1317989420.db2.gz RONHFVZXOGMHJE-KRWDZBQOSA-N 2 1 333.520 3.374 20 10 EGCDMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000810263722 1317989423 /nfs/dbraw/zinc/98/94/23/1317989423.db2.gz RONHFVZXOGMHJE-KRWDZBQOSA-N 2 1 333.520 3.374 20 10 EGCDMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000810262500 1317989988 /nfs/dbraw/zinc/98/99/88/1317989988.db2.gz RONHFVZXOGMHJE-QGZVFWFLSA-N 2 1 333.520 3.374 20 10 EGCDMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000810262500 1317989993 /nfs/dbraw/zinc/98/99/93/1317989993.db2.gz RONHFVZXOGMHJE-QGZVFWFLSA-N 2 1 333.520 3.374 20 10 EGCDMP CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841009371 1321199234 /nfs/dbraw/zinc/19/92/34/1321199234.db2.gz NVBIQDUEPFKUJG-CHWSQXEVSA-N 2 1 341.293 3.365 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000843059509 1321463626 /nfs/dbraw/zinc/46/36/26/1321463626.db2.gz NOMSNVMKQIREFR-CORIIIEPSA-N 2 1 339.277 3.022 20 10 EGCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C(F)(F)F)c1 ZINC000843058962 1321463726 /nfs/dbraw/zinc/46/37/26/1321463726.db2.gz ANTPAASSIUYVGW-YLQAJVPDSA-N 2 1 341.421 3.331 20 10 EGCDMP C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])[C@H]1CC[NH3+] ZINC000844902321 1321656182 /nfs/dbraw/zinc/65/61/82/1321656182.db2.gz PGTKXOCCFKXLDA-RISCZKNCSA-N 2 1 327.266 3.104 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000844902225 1321656308 /nfs/dbraw/zinc/65/63/08/1321656308.db2.gz MCWUYLKMKGZZMY-IRFCIJBXSA-N 2 1 345.531 3.251 20 10 EGCDMP COc1cccc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1O ZINC000846137001 1321770306 /nfs/dbraw/zinc/77/03/06/1321770306.db2.gz PUSOTFADJPHRLI-INIZCTEOSA-N 2 1 340.467 3.500 20 10 EGCDMP COc1cccc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1O ZINC000846137001 1321770311 /nfs/dbraw/zinc/77/03/11/1321770311.db2.gz PUSOTFADJPHRLI-INIZCTEOSA-N 2 1 340.467 3.500 20 10 EGCDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000846703524 1321803218 /nfs/dbraw/zinc/80/32/18/1321803218.db2.gz OOEWXUUGNCLVMI-CRAIPNDOSA-N 2 1 326.440 3.283 20 10 EGCDMP COc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001203622323 1370190331 /nfs/dbraw/zinc/19/03/31/1370190331.db2.gz YCOGZMLPXSZMOJ-HOTGVXAUSA-N 2 1 344.480 3.026 20 10 EGCDMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)CC1 ZINC001205124414 1370658031 /nfs/dbraw/zinc/65/80/31/1370658031.db2.gz QTWNIWJIEGYTPH-GOSISDBHSA-N 2 1 326.440 3.284 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1Br ZINC001205287690 1370707495 /nfs/dbraw/zinc/70/74/95/1370707495.db2.gz AQVCYPQWDYTFHJ-OAHLLOKOSA-N 2 1 327.266 3.166 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1O ZINC001205638850 1370822986 /nfs/dbraw/zinc/82/29/86/1370822986.db2.gz SOXRSNNBZRZXCD-WCQYABFASA-N 2 1 341.293 3.270 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC[C@@H]1C[NH3+] ZINC001205652497 1370829099 /nfs/dbraw/zinc/82/90/99/1370829099.db2.gz PTESOWDXLXBWMJ-CHWSQXEVSA-N 2 1 346.393 3.140 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(OC)c1 ZINC001205995864 1370933145 /nfs/dbraw/zinc/93/31/45/1370933145.db2.gz RENTZQZLSIUTEH-IAGOWNOFSA-N 2 1 333.520 3.348 20 10 EGCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC001206292879 1371013954 /nfs/dbraw/zinc/01/39/54/1371013954.db2.gz FCQIYBBEZYBBAH-OAHLLOKOSA-N 2 1 327.266 3.106 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Br ZINC001206325294 1371023755 /nfs/dbraw/zinc/02/37/55/1371023755.db2.gz HHGTVWOYKRXOKC-INIZCTEOSA-N 2 1 341.293 3.414 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CC[NH2+]1 ZINC001210497101 1372366668 /nfs/dbraw/zinc/36/66/68/1372366668.db2.gz KVZHYETUGSBXAT-GFCCVEGCSA-N 2 1 349.272 3.492 20 10 EGCDMP CCN(CC)c1ccc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c(O)c1 ZINC001222391103 1373833658 /nfs/dbraw/zinc/83/36/58/1373833658.db2.gz XVGRMBGKXXSTCA-HXUWFJFHSA-N 2 1 331.504 3.347 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c(O)c1 ZINC001222391103 1373833664 /nfs/dbraw/zinc/83/36/64/1373833664.db2.gz XVGRMBGKXXSTCA-HXUWFJFHSA-N 2 1 331.504 3.347 20 10 EGCDMP COc1cc(C[N@H+]2CCC[C@H]2c2cccnc2)cc(C[NH+](C)C)c1O ZINC001139252939 1377858576 /nfs/dbraw/zinc/85/85/76/1377858576.db2.gz GHVXSSQIVRVODI-SFHVURJKSA-N 2 1 341.455 3.195 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1(F)F ZINC001139409050 1377880419 /nfs/dbraw/zinc/88/04/19/1377880419.db2.gz TWMAKYDHONXWGY-INIZCTEOSA-N 2 1 337.458 3.306 20 10 EGCDMP C[N@H+](Cc1cc(O)ccc1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001141161378 1378254277 /nfs/dbraw/zinc/25/42/77/1378254277.db2.gz QXXICEXCDSYXON-KRWDZBQOSA-N 2 1 326.440 3.052 20 10 EGCDMP C[NH+](Cc1cc(O)ccc1O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001141161378 1378254282 /nfs/dbraw/zinc/25/42/82/1378254282.db2.gz QXXICEXCDSYXON-KRWDZBQOSA-N 2 1 326.440 3.052 20 10 EGCDMP C[NH+](Cc1cc(O)ccc1O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001141161378 1378254285 /nfs/dbraw/zinc/25/42/85/1378254285.db2.gz QXXICEXCDSYXON-KRWDZBQOSA-N 2 1 326.440 3.052 20 10 EGCDMP Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)s1 ZINC001348550434 1391236329 /nfs/dbraw/zinc/23/63/29/1391236329.db2.gz UTDDEYGZMXLYPS-ZDUSSCGKSA-N 2 1 348.491 3.193 20 10 EGCDMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)[C@H](C)C1 ZINC000185461341 455560646 /nfs/dbraw/zinc/56/06/46/455560646.db2.gz BEFFDUVDKQAQPR-ZIFCJYIRSA-N 2 1 334.504 3.488 20 10 EGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)[C@H](C)C1 ZINC000185461529 455561230 /nfs/dbraw/zinc/56/12/30/455561230.db2.gz LNKFWFLDPVSPGG-VKJFTORMSA-N 2 1 338.467 3.319 20 10 EGCDMP CN(Cc1ccccc1O)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278558646 455840400 /nfs/dbraw/zinc/84/04/00/455840400.db2.gz IDWACTHBTZLGFR-HXUWFJFHSA-N 2 1 340.467 3.115 20 10 EGCDMP CN(Cc1ccccc1O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278558646 455840405 /nfs/dbraw/zinc/84/04/05/455840405.db2.gz IDWACTHBTZLGFR-HXUWFJFHSA-N 2 1 340.467 3.115 20 10 EGCDMP COC1CCN(c2ccc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2)CC1 ZINC000296126993 455869438 /nfs/dbraw/zinc/86/94/38/455869438.db2.gz WJCFKBMCDRZJGB-LJQANCHMSA-N 2 1 345.531 3.218 20 10 EGCDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1O ZINC000363862377 457457161 /nfs/dbraw/zinc/45/71/61/457457161.db2.gz YWACRISIESXXDW-FPMFFAJLSA-N 2 1 339.277 3.432 20 10 EGCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1O ZINC000363862377 457457166 /nfs/dbraw/zinc/45/71/66/457457166.db2.gz YWACRISIESXXDW-FPMFFAJLSA-N 2 1 339.277 3.432 20 10 EGCDMP COc1ccc(N2CCC([NH2+]C[C@H](C)Cn3cc[nH+]c3C)CC2)cc1 ZINC000370633868 457687052 /nfs/dbraw/zinc/68/70/52/457687052.db2.gz JBKWVBZBDNWGIE-INIZCTEOSA-N 2 1 342.487 3.095 20 10 EGCDMP COc1cc(C)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000164537900 1294349780 /nfs/dbraw/zinc/34/97/80/1294349780.db2.gz TZIAUTBKDRNUAE-CRAIPNDOSA-N 2 1 330.472 3.158 20 10 EGCDMP COc1cc(C)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000164537900 1294349787 /nfs/dbraw/zinc/34/97/87/1294349787.db2.gz TZIAUTBKDRNUAE-CRAIPNDOSA-N 2 1 330.472 3.158 20 10 EGCDMP COc1cc(C)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000164537900 1294349793 /nfs/dbraw/zinc/34/97/93/1294349793.db2.gz TZIAUTBKDRNUAE-CRAIPNDOSA-N 2 1 330.472 3.158 20 10 EGCDMP Cc1cccc(O)c1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000876970296 1299094833 /nfs/dbraw/zinc/09/48/33/1299094833.db2.gz NZMFRPLQAZAKMA-KRWDZBQOSA-N 2 1 340.467 3.211 20 10 EGCDMP Cc1cccc(O)c1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000876970296 1299094845 /nfs/dbraw/zinc/09/48/45/1299094845.db2.gz NZMFRPLQAZAKMA-KRWDZBQOSA-N 2 1 340.467 3.211 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)c1 ZINC000756431697 1300489457 /nfs/dbraw/zinc/48/94/57/1300489457.db2.gz OORUXZXQKKQVFZ-INIZCTEOSA-N 2 1 348.487 3.342 20 10 EGCDMP CCN(CC)c1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000762481799 1301688061 /nfs/dbraw/zinc/68/80/61/1301688061.db2.gz RCXDIOGATYYOMU-SFHVURJKSA-N 2 1 333.520 3.123 20 10 EGCDMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000765972594 1302359089 /nfs/dbraw/zinc/35/90/89/1302359089.db2.gz BHKMASPBELXFHU-JXFKEZNVSA-N 2 1 331.504 3.047 20 10 EGCDMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000775258297 1303932409 /nfs/dbraw/zinc/93/24/09/1303932409.db2.gz WNFHNMGTSULNJQ-PKOBYXMFSA-N 2 1 331.504 3.048 20 10 EGCDMP CCC(CC)[N@@H+](CCOC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775656922 1304006444 /nfs/dbraw/zinc/00/64/44/1304006444.db2.gz PUUNWRMQIOTHKV-UHFFFAOYSA-N 2 1 333.520 3.075 20 10 EGCDMP Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)on1 ZINC000775655335 1304006474 /nfs/dbraw/zinc/00/64/74/1304006474.db2.gz FCJIYIICAQZDQY-IBGZPJMESA-N 2 1 340.471 3.072 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCS[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000775725240 1304022024 /nfs/dbraw/zinc/02/20/24/1304022024.db2.gz QVLXVTFPROXQTJ-VQTJNVASSA-N 2 1 345.556 3.298 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]2CCCC[C@@H]12 ZINC000783592537 1305113641 /nfs/dbraw/zinc/11/36/41/1305113641.db2.gz IPDWSQIZXRFLFP-QMMLZNLJSA-N 2 1 327.516 3.449 20 10 EGCDMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000810245063 1317985910 /nfs/dbraw/zinc/98/59/10/1317985910.db2.gz PCQPUBGDKNWJFQ-QGZVFWFLSA-N 2 1 333.520 3.374 20 10 EGCDMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000810245063 1317985920 /nfs/dbraw/zinc/98/59/20/1317985920.db2.gz PCQPUBGDKNWJFQ-QGZVFWFLSA-N 2 1 333.520 3.374 20 10 EGCDMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858490999 1328778321 /nfs/dbraw/zinc/77/83/21/1328778321.db2.gz UYGPGQQVJRJBOI-DLBZAZTESA-N 2 1 349.494 3.045 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000841073738 1321214184 /nfs/dbraw/zinc/21/41/84/1321214184.db2.gz WXZGPNAKOHLFMJ-ZDUSSCGKSA-N 2 1 327.266 3.085 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@@H]1[NH3+] ZINC000843051437 1321462270 /nfs/dbraw/zinc/46/22/70/1321462270.db2.gz HTVFUPYJQYXUKL-BEFAXECRSA-N 2 1 326.440 3.140 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1O ZINC000843112569 1321472749 /nfs/dbraw/zinc/47/27/49/1321472749.db2.gz HPQAFTZSZHQABL-GFCCVEGCSA-N 2 1 327.266 3.024 20 10 EGCDMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843123818 1321473399 /nfs/dbraw/zinc/47/33/99/1321473399.db2.gz PYTKTJDJUWOHKV-KRWDZBQOSA-N 2 1 346.475 3.288 20 10 EGCDMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843123818 1321473401 /nfs/dbraw/zinc/47/34/01/1321473401.db2.gz PYTKTJDJUWOHKV-KRWDZBQOSA-N 2 1 346.475 3.288 20 10 EGCDMP CN(C)c1cc(F)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000862367765 1329478383 /nfs/dbraw/zinc/47/83/83/1329478383.db2.gz UVDIDBNDVCDHDE-OAHLLOKOSA-N 2 1 337.458 3.195 20 10 EGCDMP CN(c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000863551311 1329562561 /nfs/dbraw/zinc/56/25/61/1329562561.db2.gz KDAHHDJPCSAXGQ-OAQYLSRUSA-N 2 1 345.531 3.002 20 10 EGCDMP C[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)CC[C@@H]1C[NH3+] ZINC001205627739 1370817701 /nfs/dbraw/zinc/81/77/01/1370817701.db2.gz SDQGCTHJXZNAII-GHMZBOCLSA-N 2 1 345.256 3.101 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)CC[C@@H]1C[NH3+] ZINC001205627739 1370817717 /nfs/dbraw/zinc/81/77/17/1370817717.db2.gz SDQGCTHJXZNAII-GHMZBOCLSA-N 2 1 345.256 3.101 20 10 EGCDMP Oc1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001203880862 1370298693 /nfs/dbraw/zinc/29/86/93/1370298693.db2.gz JFPSFAOUPKEIMF-RBUKOAKNSA-N 2 1 338.451 3.052 20 10 EGCDMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001205332515 1370723556 /nfs/dbraw/zinc/72/35/56/1370723556.db2.gz QTAOQEDZORHZMU-GFCCVEGCSA-N 2 1 349.272 3.492 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC[C@@H]1C[NH3+] ZINC001205626942 1370816841 /nfs/dbraw/zinc/81/68/41/1370816841.db2.gz KVMUAKRMKKJCPX-OXJNMPFZSA-N 2 1 327.516 3.192 20 10 EGCDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1Br ZINC001205652392 1370829277 /nfs/dbraw/zinc/82/92/77/1370829277.db2.gz PJEZJDZQQAGDAW-YPMHNXCESA-N 2 1 341.293 3.270 20 10 EGCDMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(O)cc1Br ZINC001206037093 1370945938 /nfs/dbraw/zinc/94/59/38/1370945938.db2.gz UPDWJUAXDXXGDC-CHWSQXEVSA-N 2 1 341.293 3.270 20 10 EGCDMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001206277385 1371010648 /nfs/dbraw/zinc/01/06/48/1371010648.db2.gz TUVGDYHNXNRJAG-GFCCVEGCSA-N 2 1 349.272 3.349 20 10 EGCDMP C[NH+](C)CCCC[C@H]([NH3+])c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217713672 1373494128 /nfs/dbraw/zinc/49/41/28/1373494128.db2.gz CTIOHJSLIQMLAH-KRWDZBQOSA-N 2 1 339.443 3.259 20 10 EGCDMP COc1cc(O)c(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1Cl ZINC001232270501 1376428351 /nfs/dbraw/zinc/42/83/51/1376428351.db2.gz CHALDUBKFCDVCQ-UHFFFAOYSA-N 2 1 347.846 3.080 20 10 EGCDMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(C(C)(C)C)ccc1O)CC2 ZINC001233285363 1376604538 /nfs/dbraw/zinc/60/45/38/1376604538.db2.gz CTHLEESDHQBKLJ-UHFFFAOYSA-N 2 1 345.487 3.320 20 10 EGCDMP CC[N@@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)Cc1cccc(F)c1F ZINC001236240081 1376944435 /nfs/dbraw/zinc/94/44/35/1376944435.db2.gz IKNFVTRHANOIGB-UHFFFAOYSA-N 2 1 348.393 3.175 20 10 EGCDMP COc1cc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)cc(C[NH+](C)C)c1O ZINC001139252965 1377858465 /nfs/dbraw/zinc/85/84/65/1377858465.db2.gz HDHXXTHSZVVCRU-OAHLLOKOSA-N 2 1 346.393 3.032 20 10 EGCDMP Cc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC001139404345 1377879123 /nfs/dbraw/zinc/87/91/23/1377879123.db2.gz BHNJQXUYZBSLLI-UHFFFAOYSA-N 2 1 335.495 3.305 20 10 EGCDMP Oc1ccc(F)cc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001140054961 1377997124 /nfs/dbraw/zinc/99/71/24/1377997124.db2.gz BMKVWFVWZPDZSU-ROUUACIJSA-N 2 1 326.415 3.095 20 10 EGCDMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001320181268 1386550368 /nfs/dbraw/zinc/55/03/68/1386550368.db2.gz VYYSHVNZHAHBAO-IBGZPJMESA-N 2 1 338.499 3.475 20 10 EGCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccccc1O ZINC001331743464 1389864948 /nfs/dbraw/zinc/86/49/48/1389864948.db2.gz MICDNQZQPXWFNE-OAHLLOKOSA-N 2 1 343.446 3.134 20 10 EGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000151139766 454942946 /nfs/dbraw/zinc/94/29/46/454942946.db2.gz WUTSBYNTQHDUCI-DLBZAZTESA-N 2 1 349.494 3.045 20 10 EGCDMP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1O ZINC000185869910 455638435 /nfs/dbraw/zinc/63/84/35/455638435.db2.gz IYAFIHLHUSJVDA-CQSZACIVSA-N 2 1 329.419 3.494 20 10 EGCDMP CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000828087205 1292428793 /nfs/dbraw/zinc/42/87/93/1292428793.db2.gz FUSDMGDCGKWFJI-OAQYLSRUSA-N 2 1 345.531 3.075 20 10 EGCDMP Oc1ccccc1C[N@@H+](CCC[NH+]1CCCCC1)C[C@H]1CCCO1 ZINC000161797607 1294300249 /nfs/dbraw/zinc/30/02/49/1294300249.db2.gz TZGJQZPWTJFKFD-LJQANCHMSA-N 2 1 332.488 3.249 20 10 EGCDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000172506479 1294438366 /nfs/dbraw/zinc/43/83/66/1294438366.db2.gz HTBKUDSQCQSXDP-CQSZACIVSA-N 2 1 328.456 3.401 20 10 EGCDMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(O)c1C ZINC000756573594 1300524205 /nfs/dbraw/zinc/52/42/05/1300524205.db2.gz LAMWQBZUYBMHFK-SJLPKXTDSA-N 2 1 332.488 3.303 20 10 EGCDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)ccc1O ZINC000775504474 1303975398 /nfs/dbraw/zinc/97/53/98/1303975398.db2.gz YIGBGAVMIYHBKF-RDJZCZTQSA-N 2 1 340.895 3.323 20 10 EGCDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)ccc1O ZINC000775504473 1303975430 /nfs/dbraw/zinc/97/54/30/1303975430.db2.gz YIGBGAVMIYHBKF-NVXWUHKLSA-N 2 1 340.895 3.323 20 10 EGCDMP COCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC[C@H](C)C1 ZINC000792192852 1309139929 /nfs/dbraw/zinc/13/99/29/1309139929.db2.gz OJGKAAGPVITYKA-GHTZIAJQSA-N 2 1 345.531 3.075 20 10 EGCDMP C[C@H](CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000895299176 1309274941 /nfs/dbraw/zinc/27/49/41/1309274941.db2.gz GLKRHVDEIZPMKG-OAHLLOKOSA-N 2 1 334.464 3.015 20 10 EGCDMP COc1cccc(O)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793207692 1309317077 /nfs/dbraw/zinc/31/70/77/1309317077.db2.gz RLIPSDOKCGKCTL-KRWDZBQOSA-N 2 1 326.440 3.013 20 10 EGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(O)cccc1Br ZINC000858125657 1328689287 /nfs/dbraw/zinc/68/92/87/1328689287.db2.gz JQTJEWLQGIWXCP-NSHDSACASA-N 2 1 338.249 3.086 20 10 EGCDMP COCC1(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)CC[NH2+]CC1 ZINC000817975511 1319482970 /nfs/dbraw/zinc/48/29/70/1319482970.db2.gz VVKWECZNLBJNQQ-NSHDSACASA-N 2 1 347.286 3.366 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1Cl ZINC000824938187 1320297459 /nfs/dbraw/zinc/29/74/59/1320297459.db2.gz GSERLZCQAJWPSY-UWWQBHOKSA-N 2 1 338.879 3.038 20 10 EGCDMP Cc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1Cl ZINC000824938187 1320297464 /nfs/dbraw/zinc/29/74/64/1320297464.db2.gz GSERLZCQAJWPSY-UWWQBHOKSA-N 2 1 338.879 3.038 20 10 EGCDMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Br)cc2O)C1 ZINC000825935599 1320372517 /nfs/dbraw/zinc/37/25/17/1320372517.db2.gz YLLGZRMJPNCKGK-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Br)cc2O)C1 ZINC000825935599 1320372523 /nfs/dbraw/zinc/37/25/23/1320372523.db2.gz YLLGZRMJPNCKGK-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Br)cc2O)C1 ZINC000825935599 1320372529 /nfs/dbraw/zinc/37/25/29/1320372529.db2.gz YLLGZRMJPNCKGK-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(Br)cc2O)C1 ZINC000825935599 1320372534 /nfs/dbraw/zinc/37/25/34/1320372534.db2.gz YLLGZRMJPNCKGK-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000841072063 1321214236 /nfs/dbraw/zinc/21/42/36/1321214236.db2.gz MDSJSEODVNEYLV-CQSZACIVSA-N 2 1 340.309 3.266 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000841089411 1321216637 /nfs/dbraw/zinc/21/66/37/1321216637.db2.gz MSZDZGHPQDSKJN-ZDUSSCGKSA-N 2 1 339.277 3.227 20 10 EGCDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843113602 1321472488 /nfs/dbraw/zinc/47/24/88/1321472488.db2.gz YLBWGWCRTAOYKL-MRXNPFEDSA-N 2 1 346.475 3.146 20 10 EGCDMP COc1ccc(N(C)CC[N@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000844402088 1321600127 /nfs/dbraw/zinc/60/01/27/1321600127.db2.gz UNYKNOXQKOPBOS-UHFFFAOYSA-N 2 1 330.476 3.049 20 10 EGCDMP COc1ccc(N(C)CC[N@@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000844402088 1321600130 /nfs/dbraw/zinc/60/01/30/1321600130.db2.gz UNYKNOXQKOPBOS-UHFFFAOYSA-N 2 1 330.476 3.049 20 10 EGCDMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000846765990 1321806492 /nfs/dbraw/zinc/80/64/92/1321806492.db2.gz IGXAQSXHTZMUKV-UHFFFAOYSA-N 2 1 326.488 3.475 20 10 EGCDMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000846765990 1321806495 /nfs/dbraw/zinc/80/64/95/1321806495.db2.gz IGXAQSXHTZMUKV-UHFFFAOYSA-N 2 1 326.488 3.475 20 10 EGCDMP CCN(CC)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000848527917 1321969513 /nfs/dbraw/zinc/96/95/13/1321969513.db2.gz IDVJCMLCONORIQ-GOSISDBHSA-N 2 1 349.494 3.015 20 10 EGCDMP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000850017282 1322182007 /nfs/dbraw/zinc/18/20/07/1322182007.db2.gz MRADSWDVSHPZQH-UHFFFAOYSA-N 2 1 332.488 3.415 20 10 EGCDMP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCC1(F)F ZINC001324207667 1387557701 /nfs/dbraw/zinc/55/77/01/1387557701.db2.gz ICFGOALFEDKZRR-AWEZNQCLSA-N 2 1 341.421 3.055 20 10 EGCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCC1(F)F ZINC001324207667 1387557707 /nfs/dbraw/zinc/55/77/07/1387557707.db2.gz ICFGOALFEDKZRR-AWEZNQCLSA-N 2 1 341.421 3.055 20 10 EGCDMP CCCCN(CCCC)c1ccc(C[N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)c(O)c1 ZINC001204918798 1370605732 /nfs/dbraw/zinc/60/57/32/1370605732.db2.gz MHISLFIVFGCXJW-OWZKRDHZSA-N 2 1 345.531 3.435 20 10 EGCDMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001205332489 1370723247 /nfs/dbraw/zinc/72/32/47/1370723247.db2.gz QFYCVMCCWSFVRV-INIZCTEOSA-N 2 1 326.440 3.155 20 10 EGCDMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001205332489 1370723250 /nfs/dbraw/zinc/72/32/50/1370723250.db2.gz QFYCVMCCWSFVRV-INIZCTEOSA-N 2 1 326.440 3.155 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC[C@@H]1C[NH3+] ZINC001205651452 1370829051 /nfs/dbraw/zinc/82/90/51/1370829051.db2.gz FIBRTIBWTWJOPQ-LSDHHAIUSA-N 2 1 330.472 3.383 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1Br ZINC001205914794 1370908814 /nfs/dbraw/zinc/90/88/14/1370908814.db2.gz NTDUGFZXQNTMBM-NEPJUHHUSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1Br ZINC001205914794 1370908817 /nfs/dbraw/zinc/90/88/17/1370908817.db2.gz NTDUGFZXQNTMBM-NEPJUHHUSA-N 2 1 327.266 3.022 20 10 EGCDMP CC[NH+]1CCC(C[N@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)CC1 ZINC001208597748 1371835255 /nfs/dbraw/zinc/83/52/55/1371835255.db2.gz MXTILKDJTUQZMH-UHFFFAOYSA-N 2 1 341.499 3.277 20 10 EGCDMP Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235943893 1376919941 /nfs/dbraw/zinc/91/99/41/1376919941.db2.gz ZSIFTAQBXFRTFP-FUHWJXTLSA-N 2 1 326.415 3.240 20 10 EGCDMP Cc1ccc(C[N@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2O)cc1C ZINC001236240744 1376945096 /nfs/dbraw/zinc/94/50/96/1376945096.db2.gz MBKYPRLIWRDJAK-UHFFFAOYSA-N 2 1 339.483 3.051 20 10 EGCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2C1 ZINC001138222295 1377690687 /nfs/dbraw/zinc/69/06/87/1377690687.db2.gz QSDHIIVXOBFVJZ-BGYRXZFFSA-N 2 1 327.516 3.451 20 10 EGCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2C1 ZINC001138222295 1377690689 /nfs/dbraw/zinc/69/06/89/1377690689.db2.gz QSDHIIVXOBFVJZ-BGYRXZFFSA-N 2 1 327.516 3.451 20 10 EGCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2C1 ZINC001138222295 1377690692 /nfs/dbraw/zinc/69/06/92/1377690692.db2.gz QSDHIIVXOBFVJZ-BGYRXZFFSA-N 2 1 327.516 3.451 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4occc43)cc2F)CC1 ZINC001318630628 1385805575 /nfs/dbraw/zinc/80/55/75/1385805575.db2.gz XFGQRINKYKPXFE-SFHVURJKSA-N 2 1 343.446 3.338 20 10 EGCDMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Br)ccc1O ZINC000181011513 455275246 /nfs/dbraw/zinc/27/52/46/455275246.db2.gz HQFCAKJBSMNJOG-NEPJUHHUSA-N 2 1 339.277 3.290 20 10 EGCDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2ccccc2c1O ZINC000185414743 455556845 /nfs/dbraw/zinc/55/68/45/455556845.db2.gz XJEMWMYTTDBHQA-SJLPKXTDSA-N 2 1 342.483 3.433 20 10 EGCDMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(F)cc3O)CC2)nc(C)n1 ZINC000185654804 455590404 /nfs/dbraw/zinc/59/04/04/455590404.db2.gz FFGBYINOROYRGR-CYBMUJFWSA-N 2 1 344.434 3.258 20 10 EGCDMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(C)cc1O ZINC000280189003 455912547 /nfs/dbraw/zinc/91/25/47/455912547.db2.gz SCIQLWBBVBHYFB-LJQANCHMSA-N 2 1 333.520 3.015 20 10 EGCDMP COc1ccc(N2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000363880745 457460237 /nfs/dbraw/zinc/46/02/37/457460237.db2.gz XZTXAKDOTMCXQY-GOSISDBHSA-N 2 1 331.504 3.082 20 10 EGCDMP COc1ccc(N2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000363880745 457460241 /nfs/dbraw/zinc/46/02/41/457460241.db2.gz XZTXAKDOTMCXQY-GOSISDBHSA-N 2 1 331.504 3.082 20 10 EGCDMP COc1ccc(O)c(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000374176582 457509833 /nfs/dbraw/zinc/50/98/33/457509833.db2.gz MOQFXHIERMKZTG-NRFANRHFSA-N 2 1 340.467 3.403 20 10 EGCDMP C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)[C@@H]1CC[NH3+] ZINC000404293598 1297749692 /nfs/dbraw/zinc/74/96/92/1297749692.db2.gz WFMDYSZLKPSGTM-SMDDNHRTSA-N 2 1 327.266 3.104 20 10 EGCDMP C[N@H+]1CCC[C@H]2CN(Cc3c(O)cccc3Br)CC[C@@H]21 ZINC000707145833 1298225650 /nfs/dbraw/zinc/22/56/50/1298225650.db2.gz IBWMIELMARJPMP-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(O)cccc3Br)CC[C@@H]21 ZINC000707145833 1298225658 /nfs/dbraw/zinc/22/56/58/1298225658.db2.gz IBWMIELMARJPMP-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(O)cccc3Br)CC[C@@H]21 ZINC000707145833 1298225669 /nfs/dbraw/zinc/22/56/69/1298225669.db2.gz IBWMIELMARJPMP-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(O)cccc3Br)CC[C@@H]21 ZINC000707145833 1298225676 /nfs/dbraw/zinc/22/56/76/1298225676.db2.gz IBWMIELMARJPMP-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(O)cccc3Br)CC[C@@H]21 ZINC000707145833 1298225685 /nfs/dbraw/zinc/22/56/85/1298225685.db2.gz IBWMIELMARJPMP-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000766027901 1302372816 /nfs/dbraw/zinc/37/28/16/1302372816.db2.gz AFQATQFDLCJTLM-GHTZIAJQSA-N 2 1 347.547 3.288 20 10 EGCDMP CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000770373574 1303256607 /nfs/dbraw/zinc/25/66/07/1303256607.db2.gz HMBCIEXJIJQAHB-VQIMIIECSA-N 2 1 331.479 3.340 20 10 EGCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000770373574 1303256612 /nfs/dbraw/zinc/25/66/12/1303256612.db2.gz HMBCIEXJIJQAHB-VQIMIIECSA-N 2 1 331.479 3.340 20 10 EGCDMP CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000770373574 1303256616 /nfs/dbraw/zinc/25/66/16/1303256616.db2.gz HMBCIEXJIJQAHB-VQIMIIECSA-N 2 1 331.479 3.340 20 10 EGCDMP CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000770373574 1303256621 /nfs/dbraw/zinc/25/66/21/1303256621.db2.gz HMBCIEXJIJQAHB-VQIMIIECSA-N 2 1 331.479 3.340 20 10 EGCDMP COc1ccccc1C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775642942 1304001894 /nfs/dbraw/zinc/00/18/94/1304001894.db2.gz PYEOZIUPGGJSQN-UHFFFAOYSA-N 2 1 339.483 3.079 20 10 EGCDMP Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000775651091 1304005276 /nfs/dbraw/zinc/00/52/76/1304005276.db2.gz XMNDEKBIHGGUMQ-HXUWFJFHSA-N 2 1 340.471 3.072 20 10 EGCDMP Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000775651091 1304005279 /nfs/dbraw/zinc/00/52/79/1304005279.db2.gz XMNDEKBIHGGUMQ-HXUWFJFHSA-N 2 1 340.471 3.072 20 10 EGCDMP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793764215 1309437070 /nfs/dbraw/zinc/43/70/70/1309437070.db2.gz FVFTYGZVORTXGP-FQEVSTJZSA-N 2 1 332.488 3.226 20 10 EGCDMP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793764215 1309437074 /nfs/dbraw/zinc/43/70/74/1309437074.db2.gz FVFTYGZVORTXGP-FQEVSTJZSA-N 2 1 332.488 3.226 20 10 EGCDMP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793764215 1309437078 /nfs/dbraw/zinc/43/70/78/1309437078.db2.gz FVFTYGZVORTXGP-FQEVSTJZSA-N 2 1 332.488 3.226 20 10 EGCDMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000857783208 1328597048 /nfs/dbraw/zinc/59/70/48/1328597048.db2.gz YYSJKIDMESUFEZ-UHFFFAOYSA-N 2 1 346.478 3.315 20 10 EGCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2ccccc2c1O ZINC000816521785 1319174940 /nfs/dbraw/zinc/17/49/40/1319174940.db2.gz YPMAIRGXWPHJIO-RLLQIKCJSA-N 2 1 340.467 3.229 20 10 EGCDMP CC(C)Oc1cccc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000841044840 1321208768 /nfs/dbraw/zinc/20/87/68/1321208768.db2.gz YYNAZCTXTMCZNM-FQEVSTJZSA-N 2 1 327.472 3.329 20 10 EGCDMP C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000841099577 1321218401 /nfs/dbraw/zinc/21/84/01/1321218401.db2.gz MGGDBOXJGAVCDI-WBVHZDCISA-N 2 1 346.475 3.002 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000841099577 1321218408 /nfs/dbraw/zinc/21/84/08/1321218408.db2.gz MGGDBOXJGAVCDI-WBVHZDCISA-N 2 1 346.475 3.002 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2cc(Br)c(F)cc2O)CCC[C@@H]1C[NH3+] ZINC001206014025 1370939164 /nfs/dbraw/zinc/93/91/64/1370939164.db2.gz VFCRSUHUXOLVEZ-GHMZBOCLSA-N 2 1 345.256 3.101 20 10 EGCDMP Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742714 1370561460 /nfs/dbraw/zinc/56/14/60/1370561460.db2.gz RFIKZNZSYUJWGI-UHFFFAOYSA-N 2 1 328.378 3.377 20 10 EGCDMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(O)cc1Br ZINC001205923171 1370912021 /nfs/dbraw/zinc/91/20/21/1370912021.db2.gz KALOVCYLRDDALM-NWDGAFQWSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(O)cc1Br ZINC001205923171 1370912023 /nfs/dbraw/zinc/91/20/23/1370912023.db2.gz KALOVCYLRDDALM-NWDGAFQWSA-N 2 1 327.266 3.022 20 10 EGCDMP C[C@@H]1C[N@H+](Cc2cc(Br)c(F)cc2O)CCC[C@@H]1C[NH3+] ZINC001206014025 1370939161 /nfs/dbraw/zinc/93/91/61/1370939161.db2.gz VFCRSUHUXOLVEZ-GHMZBOCLSA-N 2 1 345.256 3.101 20 10 EGCDMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(O)cc1Br ZINC001206037100 1370945895 /nfs/dbraw/zinc/94/58/95/1370945895.db2.gz UPDWJUAXDXXGDC-STQMWFEESA-N 2 1 341.293 3.270 20 10 EGCDMP [NH3+][C@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)CC[C@@H]1F ZINC001206201880 1370991651 /nfs/dbraw/zinc/99/16/51/1370991651.db2.gz ZPENVVYADYVYMV-OALUTQOASA-N 2 1 344.430 3.232 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206327010 1371023790 /nfs/dbraw/zinc/02/37/90/1371023790.db2.gz RGTXFFGAQFGSPA-INIZCTEOSA-N 2 1 341.293 3.414 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206327010 1371023796 /nfs/dbraw/zinc/02/37/96/1371023796.db2.gz RGTXFFGAQFGSPA-INIZCTEOSA-N 2 1 341.293 3.414 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C4CC4)CC3)cc2F)CC1 ZINC001326126159 1388117040 /nfs/dbraw/zinc/11/70/40/1388117040.db2.gz MCSJMEQFYJFKKO-UHFFFAOYSA-N 2 1 331.479 3.200 20 10 EGCDMP COc1cc(C[N@@H+](C)CCc2ccccc2F)cc(C[NH+](C)C)c1O ZINC001139260429 1377859919 /nfs/dbraw/zinc/85/99/19/1377859919.db2.gz MHDXFYHCEZUTHJ-UHFFFAOYSA-N 2 1 346.446 3.276 20 10 EGCDMP Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001140060275 1377998417 /nfs/dbraw/zinc/99/84/17/1377998417.db2.gz SUVYUWQWLFOQGJ-MJGOQNOKSA-N 2 1 340.442 3.485 20 10 EGCDMP Oc1ccc(F)cc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001140060275 1377998418 /nfs/dbraw/zinc/99/84/18/1377998418.db2.gz SUVYUWQWLFOQGJ-MJGOQNOKSA-N 2 1 340.442 3.485 20 10 EGCDMP Oc1ccc(F)cc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001140060275 1377998419 /nfs/dbraw/zinc/99/84/19/1377998419.db2.gz SUVYUWQWLFOQGJ-MJGOQNOKSA-N 2 1 340.442 3.485 20 10 EGCDMP Oc1ccc(F)cc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001140060275 1377998420 /nfs/dbraw/zinc/99/84/20/1377998420.db2.gz SUVYUWQWLFOQGJ-MJGOQNOKSA-N 2 1 340.442 3.485 20 10 EGCDMP Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001140060274 1377998541 /nfs/dbraw/zinc/99/85/41/1377998541.db2.gz SUVYUWQWLFOQGJ-IEBWSBKVSA-N 2 1 340.442 3.485 20 10 EGCDMP Oc1ccc(F)cc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001140060274 1377998542 /nfs/dbraw/zinc/99/85/42/1377998542.db2.gz SUVYUWQWLFOQGJ-IEBWSBKVSA-N 2 1 340.442 3.485 20 10 EGCDMP Oc1ccc(F)cc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001140060274 1377998543 /nfs/dbraw/zinc/99/85/43/1377998543.db2.gz SUVYUWQWLFOQGJ-IEBWSBKVSA-N 2 1 340.442 3.485 20 10 EGCDMP Oc1ccc(F)cc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001140060274 1377998544 /nfs/dbraw/zinc/99/85/44/1377998544.db2.gz SUVYUWQWLFOQGJ-IEBWSBKVSA-N 2 1 340.442 3.485 20 10 EGCDMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140182500 1378027278 /nfs/dbraw/zinc/02/72/78/1378027278.db2.gz SRNDXVXMTYPRRO-SFHVURJKSA-N 2 1 332.488 3.084 20 10 EGCDMP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001140619704 1378099414 /nfs/dbraw/zinc/09/94/14/1378099414.db2.gz LMTOVCNCRQVDIW-CALCHBBNSA-N 2 1 328.481 3.326 20 10 EGCDMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001140619704 1378099415 /nfs/dbraw/zinc/09/94/15/1378099415.db2.gz LMTOVCNCRQVDIW-CALCHBBNSA-N 2 1 328.481 3.326 20 10 EGCDMP Cc1ccc(O)c(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001140619704 1378099417 /nfs/dbraw/zinc/09/94/17/1378099417.db2.gz LMTOVCNCRQVDIW-CALCHBBNSA-N 2 1 328.481 3.326 20 10 EGCDMP Cc1ccc(O)c(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001140619704 1378099421 /nfs/dbraw/zinc/09/94/21/1378099421.db2.gz LMTOVCNCRQVDIW-CALCHBBNSA-N 2 1 328.481 3.326 20 10 EGCDMP Cc1ccc(O)c(C[N@H+]2CCc3c(CN(C)C)nn(C(C)C)c3C2)c1 ZINC001140619983 1378099772 /nfs/dbraw/zinc/09/97/72/1378099772.db2.gz XXDDWFLVMFKNNY-UHFFFAOYSA-N 2 1 342.487 3.098 20 10 EGCDMP Cc1ccc(O)c(CN2CCc3c(CN(C)C)nn(C(C)C)c3C2)c1 ZINC001140619983 1378099775 /nfs/dbraw/zinc/09/97/75/1378099775.db2.gz XXDDWFLVMFKNNY-UHFFFAOYSA-N 2 1 342.487 3.098 20 10 EGCDMP CN1CCOc2cc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)ccc21 ZINC001141142970 1378248549 /nfs/dbraw/zinc/24/85/49/1378248549.db2.gz IHZZOBCFJYWWKB-LJQANCHMSA-N 2 1 343.515 3.356 20 10 EGCDMP CN1CCOc2cc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)ccc21 ZINC001141142970 1378248556 /nfs/dbraw/zinc/24/85/56/1378248556.db2.gz IHZZOBCFJYWWKB-LJQANCHMSA-N 2 1 343.515 3.356 20 10 EGCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)cc1O)C2 ZINC001172113377 1384731424 /nfs/dbraw/zinc/73/14/24/1384731424.db2.gz GPZIMKDSAAELFD-QKDCVEJESA-N 2 1 339.277 3.260 20 10 EGCDMP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC001321024283 1386786524 /nfs/dbraw/zinc/78/65/24/1386786524.db2.gz RGICZPJNDCBENF-WMZOPIPTSA-N 2 1 345.531 3.112 20 10 EGCDMP C[NH+](C/C=C/C[N@H+](C)Cc1ccccc1O)Cc1ccccc1O ZINC000111235031 454858841 /nfs/dbraw/zinc/85/88/41/454858841.db2.gz SZEPPZXYPAWZSQ-BQYQJAHWSA-N 2 1 326.440 3.218 20 10 EGCDMP COc1ccc(N2CCC[N@@H+](CCCCn3ccnc3C)CC2)cc1 ZINC000179039882 455001413 /nfs/dbraw/zinc/00/14/13/455001413.db2.gz KNCCCIFHFCXQES-UHFFFAOYSA-N 2 1 342.487 3.193 20 10 EGCDMP COc1ccc(N2CCC[N@H+](CCCCn3cc[nH+]c3C)CC2)cc1 ZINC000179039882 455001415 /nfs/dbraw/zinc/00/14/15/455001415.db2.gz KNCCCIFHFCXQES-UHFFFAOYSA-N 2 1 342.487 3.193 20 10 EGCDMP COc1ccc(N2CCC[N@@H+](CCCCn3cc[nH+]c3C)CC2)cc1 ZINC000179039882 455001416 /nfs/dbraw/zinc/00/14/16/455001416.db2.gz KNCCCIFHFCXQES-UHFFFAOYSA-N 2 1 342.487 3.193 20 10 EGCDMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1O ZINC000192750075 455685026 /nfs/dbraw/zinc/68/50/26/455685026.db2.gz ZCFNDRUQHNPKNQ-UHFFFAOYSA-N 2 1 333.520 3.020 20 10 EGCDMP CCOc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000192924767 455719722 /nfs/dbraw/zinc/71/97/22/455719722.db2.gz DGQYAFLXDHJHTA-GOSISDBHSA-N 2 1 340.467 3.403 20 10 EGCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c(O)ccc2ccccc21 ZINC000366545712 457847411 /nfs/dbraw/zinc/84/74/11/457847411.db2.gz LAIDNZVEMASRCL-BSIFCXSSSA-N 2 1 340.467 3.229 20 10 EGCDMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(O)c1 ZINC000186520322 547130739 /nfs/dbraw/zinc/13/07/39/547130739.db2.gz QSKSTPSWVKPNLZ-LPHOPBHVSA-N 2 1 340.467 3.118 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2c1 ZINC000131370816 1293688318 /nfs/dbraw/zinc/68/83/18/1293688318.db2.gz XQMABBGDPZAQFO-INIZCTEOSA-N 2 1 340.467 3.472 20 10 EGCDMP COc1cc(Cl)cc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1O ZINC000303988711 1296886839 /nfs/dbraw/zinc/88/68/39/1296886839.db2.gz OUQGNDJBVLOEMH-UHFFFAOYSA-N 2 1 334.847 3.405 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000756381088 1300480406 /nfs/dbraw/zinc/48/04/06/1300480406.db2.gz WQKLTZOYTFZXBA-AWEZNQCLSA-N 2 1 342.439 3.091 20 10 EGCDMP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)cc1O ZINC000756549282 1300520075 /nfs/dbraw/zinc/52/00/75/1300520075.db2.gz NEEFUTQWHURLLW-OAHLLOKOSA-N 2 1 346.446 3.365 20 10 EGCDMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000765973072 1302358698 /nfs/dbraw/zinc/35/86/98/1302358698.db2.gz BPJGXLGMQJGPHG-NHCUHLMSSA-N 2 1 345.531 3.437 20 10 EGCDMP Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000772827792 1303583207 /nfs/dbraw/zinc/58/32/07/1303583207.db2.gz KAITVLSAWLBYRM-OXQOHEQNSA-N 2 1 337.467 3.389 20 10 EGCDMP Oc1ccc2ccncc2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000772827792 1303583212 /nfs/dbraw/zinc/58/32/12/1303583212.db2.gz KAITVLSAWLBYRM-OXQOHEQNSA-N 2 1 337.467 3.389 20 10 EGCDMP Oc1ccc2ccncc2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000772827792 1303583216 /nfs/dbraw/zinc/58/32/16/1303583216.db2.gz KAITVLSAWLBYRM-OXQOHEQNSA-N 2 1 337.467 3.389 20 10 EGCDMP CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1(C)C ZINC000775716418 1304019351 /nfs/dbraw/zinc/01/93/51/1304019351.db2.gz WRWIMABFOSQAPG-PMACEKPBSA-N 2 1 345.531 3.074 20 10 EGCDMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000792920534 1309260574 /nfs/dbraw/zinc/26/05/74/1309260574.db2.gz ZDNSLOUOIOTXNZ-ZBFHGGJFSA-N 2 1 341.421 3.488 20 10 EGCDMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000792920534 1309260580 /nfs/dbraw/zinc/26/05/80/1309260580.db2.gz ZDNSLOUOIOTXNZ-ZBFHGGJFSA-N 2 1 341.421 3.488 20 10 EGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1O ZINC000808717306 1317721779 /nfs/dbraw/zinc/72/17/79/1317721779.db2.gz BUKPNKSKQGKDNX-AWEZNQCLSA-N 2 1 339.911 3.031 20 10 EGCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000843052963 1321461828 /nfs/dbraw/zinc/46/18/28/1321461828.db2.gz QOSQJCPABLDDBL-KRWDZBQOSA-N 2 1 326.440 3.013 20 10 EGCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C(F)(F)F)c1 ZINC000843058959 1321464202 /nfs/dbraw/zinc/46/42/02/1321464202.db2.gz ANTPAASSIUYVGW-MJEQTWJJSA-N 2 1 341.421 3.331 20 10 EGCDMP Oc1ccccc1C[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000843356699 1321505125 /nfs/dbraw/zinc/50/51/25/1321505125.db2.gz WIQYAJSUKYIKGU-IBGZPJMESA-N 2 1 332.488 3.153 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1O ZINC000862482406 1329490125 /nfs/dbraw/zinc/49/01/25/1329490125.db2.gz HWADCJDSOVNOLV-CYBMUJFWSA-N 2 1 341.293 3.285 20 10 EGCDMP Cc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(O)cc1Br ZINC001206581555 1371099524 /nfs/dbraw/zinc/09/95/24/1371099524.db2.gz KEOPWBMMYXTSJP-INIZCTEOSA-N 2 1 341.293 3.414 20 10 EGCDMP Oc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001204277621 1370430470 /nfs/dbraw/zinc/43/04/70/1370430470.db2.gz HBECIAFSNHHAQL-MJGOQNOKSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001204277621 1370430471 /nfs/dbraw/zinc/43/04/71/1370430471.db2.gz HBECIAFSNHHAQL-MJGOQNOKSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001204277621 1370430472 /nfs/dbraw/zinc/43/04/72/1370430472.db2.gz HBECIAFSNHHAQL-MJGOQNOKSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c1 ZINC001204278757 1370430589 /nfs/dbraw/zinc/43/05/89/1370430589.db2.gz JPEVYNLNBRIBBI-NRFANRHFSA-N 2 1 338.451 3.196 20 10 EGCDMP Oc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(O)c1 ZINC001204278757 1370430592 /nfs/dbraw/zinc/43/05/92/1370430592.db2.gz JPEVYNLNBRIBBI-NRFANRHFSA-N 2 1 338.451 3.196 20 10 EGCDMP Oc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(O)c1 ZINC001204278757 1370430595 /nfs/dbraw/zinc/43/05/95/1370430595.db2.gz JPEVYNLNBRIBBI-NRFANRHFSA-N 2 1 338.451 3.196 20 10 EGCDMP C[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)CC[C@H]1C[NH3+] ZINC001205627740 1370817301 /nfs/dbraw/zinc/81/73/01/1370817301.db2.gz SDQGCTHJXZNAII-MNOVXSKESA-N 2 1 345.256 3.101 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)CC[C@H]1C[NH3+] ZINC001205627740 1370817304 /nfs/dbraw/zinc/81/73/04/1370817304.db2.gz SDQGCTHJXZNAII-MNOVXSKESA-N 2 1 345.256 3.101 20 10 EGCDMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(O)cc1Br ZINC001205923173 1370911934 /nfs/dbraw/zinc/91/19/34/1370911934.db2.gz KALOVCYLRDDALM-VXGBXAGGSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(O)cc1Br ZINC001205923173 1370911938 /nfs/dbraw/zinc/91/19/38/1370911938.db2.gz KALOVCYLRDDALM-VXGBXAGGSA-N 2 1 327.266 3.022 20 10 EGCDMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001206263070 1371007342 /nfs/dbraw/zinc/00/73/42/1371007342.db2.gz NHXSYYRUXZAMNS-INIZCTEOSA-N 2 1 326.440 3.155 20 10 EGCDMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001206263070 1371007344 /nfs/dbraw/zinc/00/73/44/1371007344.db2.gz NHXSYYRUXZAMNS-INIZCTEOSA-N 2 1 326.440 3.155 20 10 EGCDMP Oc1ccc(OCc2ccccc2)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235031368 1376831882 /nfs/dbraw/zinc/83/18/82/1376831882.db2.gz FWKYDHPVHXCPCT-OAQYLSRUSA-N 2 1 338.451 3.157 20 10 EGCDMP Oc1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430883 1376872125 /nfs/dbraw/zinc/87/21/25/1376872125.db2.gz YKFKSKHZOLDWTO-CHWSQXEVSA-N 2 1 326.843 3.396 20 10 EGCDMP Oc1cc(Cl)c(F)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430883 1376872131 /nfs/dbraw/zinc/87/21/31/1376872131.db2.gz YKFKSKHZOLDWTO-CHWSQXEVSA-N 2 1 326.843 3.396 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(OC)c1 ZINC001138390363 1377714540 /nfs/dbraw/zinc/71/45/40/1377714540.db2.gz TWJBYUBWWPFERG-UHFFFAOYSA-N 2 1 345.531 3.459 20 10 EGCDMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(N2CCOCC2)cc1 ZINC001140802721 1378141819 /nfs/dbraw/zinc/14/18/19/1378141819.db2.gz CUVYTTRYYHYDQF-UHFFFAOYSA-N 2 1 336.439 3.032 20 10 EGCDMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(N2CCOCC2)cc1 ZINC001140802721 1378141822 /nfs/dbraw/zinc/14/18/22/1378141822.db2.gz CUVYTTRYYHYDQF-UHFFFAOYSA-N 2 1 336.439 3.032 20 10 EGCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319715518 1386266777 /nfs/dbraw/zinc/26/67/77/1386266777.db2.gz CVXSVXVKICFUDN-OAQYLSRUSA-N 2 1 345.531 3.220 20 10 EGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC001321024282 1386786676 /nfs/dbraw/zinc/78/66/76/1386786676.db2.gz RGICZPJNDCBENF-SJLPKXTDSA-N 2 1 345.531 3.112 20 10 EGCDMP COc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1O ZINC000093336928 454703693 /nfs/dbraw/zinc/70/36/93/454703693.db2.gz FYGWETQXSZFAPW-SFHVURJKSA-N 2 1 340.467 3.355 20 10 EGCDMP COc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000093336928 454703697 /nfs/dbraw/zinc/70/36/97/454703697.db2.gz FYGWETQXSZFAPW-SFHVURJKSA-N 2 1 340.467 3.355 20 10 EGCDMP COc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000093336928 454703700 /nfs/dbraw/zinc/70/37/00/454703700.db2.gz FYGWETQXSZFAPW-SFHVURJKSA-N 2 1 340.467 3.355 20 10 EGCDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000742374697 576775540 /nfs/dbraw/zinc/77/55/40/576775540.db2.gz CXOWXDPJFUUKQF-RDJZCZTQSA-N 2 1 346.475 3.157 20 10 EGCDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000742374697 576775541 /nfs/dbraw/zinc/77/55/41/576775541.db2.gz CXOWXDPJFUUKQF-RDJZCZTQSA-N 2 1 346.475 3.157 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2c1 ZINC000131370582 1293688195 /nfs/dbraw/zinc/68/81/95/1293688195.db2.gz XQMABBGDPZAQFO-MRXNPFEDSA-N 2 1 340.467 3.472 20 10 EGCDMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725849766 1298374833 /nfs/dbraw/zinc/37/48/33/1298374833.db2.gz XBBLTMNRRQXSTD-OAHLLOKOSA-N 2 1 334.464 3.015 20 10 EGCDMP Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(O)c1 ZINC000876970266 1299095300 /nfs/dbraw/zinc/09/53/00/1299095300.db2.gz NCYGAZMXGVSFGU-KRWDZBQOSA-N 2 1 340.467 3.211 20 10 EGCDMP Cc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(O)c1 ZINC000876970266 1299095309 /nfs/dbraw/zinc/09/53/09/1299095309.db2.gz NCYGAZMXGVSFGU-KRWDZBQOSA-N 2 1 340.467 3.211 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000756433366 1300490378 /nfs/dbraw/zinc/49/03/78/1300490378.db2.gz YILHGEPCQUNIAY-HZPDHXFCSA-N 2 1 348.487 3.484 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000756433366 1300490379 /nfs/dbraw/zinc/49/03/79/1300490379.db2.gz YILHGEPCQUNIAY-HZPDHXFCSA-N 2 1 348.487 3.484 20 10 EGCDMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2c1c(F)ccc2O ZINC000756570829 1300523970 /nfs/dbraw/zinc/52/39/70/1300523970.db2.gz BNGKLXWKNIMSKG-FRFSOERESA-N 2 1 348.462 3.313 20 10 EGCDMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cc(Br)ccc1O ZINC000767411567 1302664444 /nfs/dbraw/zinc/66/44/44/1302664444.db2.gz NOPAWWFNTGPURO-HNNXBMFYSA-N 2 1 341.293 3.461 20 10 EGCDMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cc(Br)ccc1O ZINC000767411567 1302664458 /nfs/dbraw/zinc/66/44/58/1302664458.db2.gz NOPAWWFNTGPURO-HNNXBMFYSA-N 2 1 341.293 3.461 20 10 EGCDMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cc(Br)ccc1O ZINC000767411567 1302664467 /nfs/dbraw/zinc/66/44/67/1302664467.db2.gz NOPAWWFNTGPURO-HNNXBMFYSA-N 2 1 341.293 3.461 20 10 EGCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccccc1F ZINC000775641467 1304000117 /nfs/dbraw/zinc/00/01/17/1304000117.db2.gz ABIFPMOZQSZDMK-UHFFFAOYSA-N 2 1 327.447 3.210 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC12CCC2 ZINC000779604141 1304586942 /nfs/dbraw/zinc/58/69/42/1304586942.db2.gz IHAIQORPCGWZBN-GOSISDBHSA-N 2 1 327.516 3.451 20 10 EGCDMP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000810251896 1317986491 /nfs/dbraw/zinc/98/64/91/1317986491.db2.gz BGIGBBJNSDROMZ-HNNXBMFYSA-N 2 1 326.481 3.399 20 10 EGCDMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)c2ccccc21 ZINC000817887892 1319450920 /nfs/dbraw/zinc/45/09/20/1319450920.db2.gz GOMYVYFBIQASTR-UXHICEINSA-N 2 1 339.508 3.474 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]4(CCSC4)C3)cc2)CC1 ZINC000825215606 1320318606 /nfs/dbraw/zinc/31/86/06/1320318606.db2.gz SSMRJOJSCNNEAB-HXUWFJFHSA-N 2 1 345.556 3.158 20 10 EGCDMP Cc1cc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc2cccnc12 ZINC000841045188 1321208444 /nfs/dbraw/zinc/20/84/44/1321208444.db2.gz JEMVTLZYHNGJAD-FQEVSTJZSA-N 2 1 334.467 3.399 20 10 EGCDMP CC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000843050178 1321461121 /nfs/dbraw/zinc/46/11/21/1321461121.db2.gz ALQCOKMGPWRAMK-IAGOWNOFSA-N 2 1 346.475 3.144 20 10 EGCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000843050178 1321461126 /nfs/dbraw/zinc/46/11/26/1321461126.db2.gz ALQCOKMGPWRAMK-IAGOWNOFSA-N 2 1 346.475 3.144 20 10 EGCDMP C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC(C)(C)C[NH3+] ZINC000843056374 1321463095 /nfs/dbraw/zinc/46/30/95/1321463095.db2.gz HYKGEISPMHLAHU-UHFFFAOYSA-N 2 1 334.464 3.002 20 10 EGCDMP CCN(CC)c1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001203940342 1370323391 /nfs/dbraw/zinc/32/33/91/1370323391.db2.gz WQDWKQUOYVXTRN-UHFFFAOYSA-N 2 1 344.503 3.163 20 10 EGCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001205288840 1370708625 /nfs/dbraw/zinc/70/86/25/1370708625.db2.gz OZHFCNLZXFGZRD-OAHLLOKOSA-N 2 1 332.366 3.037 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)c2c1 ZINC001206369573 1371035574 /nfs/dbraw/zinc/03/55/74/1371035574.db2.gz FWBXCXKHENIWPI-LJQANCHMSA-N 2 1 332.419 3.207 20 10 EGCDMP COc1cc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139258307 1377858397 /nfs/dbraw/zinc/85/83/97/1377858397.db2.gz PHGFFOPKXZMTDH-SJORKVTESA-N 2 1 332.488 3.475 20 10 EGCDMP CCN(CC)c1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001353604596 1392048296 /nfs/dbraw/zinc/04/82/96/1392048296.db2.gz LOJOPSZJRXSXSB-UHFFFAOYSA-N 2 1 345.531 3.266 20 10 EGCDMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Br)ccc1O ZINC000181011494 455275452 /nfs/dbraw/zinc/27/54/52/455275452.db2.gz HQFCAKJBSMNJOG-RYUDHWBXSA-N 2 1 339.277 3.290 20 10 EGCDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000160710775 455491166 /nfs/dbraw/zinc/49/11/66/455491166.db2.gz MNSUQGMHTLCOFB-WOJBJXKFSA-N 2 1 333.520 3.030 20 10 EGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)[C@H](C)C1 ZINC000185461322 455561118 /nfs/dbraw/zinc/56/11/18/455561118.db2.gz BEFFDUVDKQAQPR-AOIWGVFYSA-N 2 1 334.504 3.488 20 10 EGCDMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000268824231 455716124 /nfs/dbraw/zinc/71/61/24/455716124.db2.gz IIGVLFWYTUYUHW-GOSISDBHSA-N 2 1 345.531 3.174 20 10 EGCDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279989779 455880555 /nfs/dbraw/zinc/88/05/55/455880555.db2.gz RDZSORJQTUWREW-UHFFFAOYSA-N 2 1 340.393 3.456 20 10 EGCDMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000374879228 457725673 /nfs/dbraw/zinc/72/56/73/457725673.db2.gz SGBBPYLXHYKQRU-LPHOPBHVSA-N 2 1 340.467 3.401 20 10 EGCDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000164428374 1294347764 /nfs/dbraw/zinc/34/77/64/1294347764.db2.gz RZXVFLOGFGVJEX-HNNXBMFYSA-N 2 1 334.504 3.472 20 10 EGCDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000164428374 1294347769 /nfs/dbraw/zinc/34/77/69/1294347769.db2.gz RZXVFLOGFGVJEX-HNNXBMFYSA-N 2 1 334.504 3.472 20 10 EGCDMP COc1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000184932957 1295229430 /nfs/dbraw/zinc/22/94/30/1295229430.db2.gz ZFZUOQOCZXMWFN-INIZCTEOSA-N 2 1 340.467 3.500 20 10 EGCDMP COc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000184932957 1295229433 /nfs/dbraw/zinc/22/94/33/1295229433.db2.gz ZFZUOQOCZXMWFN-INIZCTEOSA-N 2 1 340.467 3.500 20 10 EGCDMP C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)[C@@H]1CC[NH3+] ZINC000404293589 1297749154 /nfs/dbraw/zinc/74/91/54/1297749154.db2.gz WFMDYSZLKPSGTM-BXUZGUMPSA-N 2 1 327.266 3.104 20 10 EGCDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c(O)ccc3ccncc32)C1 ZINC000746384599 1298578163 /nfs/dbraw/zinc/57/81/63/1298578163.db2.gz ZIHZUXRXVKANFB-MRXNPFEDSA-N 2 1 325.456 3.104 20 10 EGCDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000746384599 1298578173 /nfs/dbraw/zinc/57/81/73/1298578173.db2.gz ZIHZUXRXVKANFB-MRXNPFEDSA-N 2 1 325.456 3.104 20 10 EGCDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000746384599 1298578178 /nfs/dbraw/zinc/57/81/78/1298578178.db2.gz ZIHZUXRXVKANFB-MRXNPFEDSA-N 2 1 325.456 3.104 20 10 EGCDMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877527477 1299369307 /nfs/dbraw/zinc/36/93/07/1299369307.db2.gz OGRDWCARVBDAPB-UHFFFAOYSA-N 2 1 347.547 3.202 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000756762586 1300563169 /nfs/dbraw/zinc/56/31/69/1300563169.db2.gz UTDXSGDBTMTCLD-JKSUJKDBSA-N 2 1 348.487 3.197 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000756762586 1300563172 /nfs/dbraw/zinc/56/31/72/1300563172.db2.gz UTDXSGDBTMTCLD-JKSUJKDBSA-N 2 1 348.487 3.197 20 10 EGCDMP CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(O)c1 ZINC000770374401 1303255888 /nfs/dbraw/zinc/25/58/88/1303255888.db2.gz NFZIUJZTNLNLDU-KXBFYZLASA-N 2 1 330.472 3.240 20 10 EGCDMP CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(O)c1 ZINC000770374401 1303255891 /nfs/dbraw/zinc/25/58/91/1303255891.db2.gz NFZIUJZTNLNLDU-KXBFYZLASA-N 2 1 330.472 3.240 20 10 EGCDMP CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(O)c1 ZINC000770374401 1303255898 /nfs/dbraw/zinc/25/58/98/1303255898.db2.gz NFZIUJZTNLNLDU-KXBFYZLASA-N 2 1 330.472 3.240 20 10 EGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000772998430 1303603686 /nfs/dbraw/zinc/60/36/86/1303603686.db2.gz KNSNYHAVQIQZLI-ICSRJNTNSA-N 2 1 347.547 3.288 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4ccc(F)cc4C3)cc2)CC1 ZINC000775702175 1304017945 /nfs/dbraw/zinc/01/79/45/1304017945.db2.gz RPWBRWRRNIMDIH-UHFFFAOYSA-N 2 1 339.458 3.136 20 10 EGCDMP Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775736575 1304024190 /nfs/dbraw/zinc/02/41/90/1304024190.db2.gz ASMIFXXTDRLUJQ-UHFFFAOYSA-N 2 1 346.906 3.062 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4cc(F)ccc4C3)cc2)CC1 ZINC000779597753 1304585168 /nfs/dbraw/zinc/58/51/68/1304585168.db2.gz FYRXLHCVINIXCL-UHFFFAOYSA-N 2 1 339.458 3.136 20 10 EGCDMP COc1cc(C)cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000894150181 1306247072 /nfs/dbraw/zinc/24/70/72/1306247072.db2.gz VTSLWFKNDXTQOH-UHFFFAOYSA-N 2 1 340.467 3.463 20 10 EGCDMP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000796727892 1310073964 /nfs/dbraw/zinc/07/39/64/1310073964.db2.gz JGVJTOMIKKRSCZ-MPGHIAIKSA-N 2 1 338.467 3.461 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1O ZINC000839183578 1320888991 /nfs/dbraw/zinc/88/89/91/1320888991.db2.gz YTSRHQNDTVMSGE-CYBMUJFWSA-N 2 1 341.293 3.285 20 10 EGCDMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000813877370 1318647974 /nfs/dbraw/zinc/64/79/74/1318647974.db2.gz UCBGTWOWXGQSEP-LSDHHAIUSA-N 2 1 339.911 3.025 20 10 EGCDMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000840807526 1321153161 /nfs/dbraw/zinc/15/31/61/1321153161.db2.gz CPJJNCMUJFWOSA-SJORKVTESA-N 2 1 349.494 3.045 20 10 EGCDMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841072087 1321213702 /nfs/dbraw/zinc/21/37/02/1321213702.db2.gz FYQMKDJZEKTKES-SFHVURJKSA-N 2 1 346.475 3.063 20 10 EGCDMP Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000843120869 1321473126 /nfs/dbraw/zinc/47/31/26/1321473126.db2.gz WYWZEQFOAGTOAU-NRFANRHFSA-N 2 1 338.451 3.157 20 10 EGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000863646706 1329570206 /nfs/dbraw/zinc/57/02/06/1329570206.db2.gz XTTOPUPYKCCIDA-ZBFHGGJFSA-N 2 1 329.410 3.020 20 10 EGCDMP CC[N@H+](CCC(F)(F)F)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323305515 1387330590 /nfs/dbraw/zinc/33/05/90/1387330590.db2.gz XQONZNCMUDWEOV-UHFFFAOYSA-N 2 1 347.400 3.352 20 10 EGCDMP CC[N@@H+](CCC(F)(F)F)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323305515 1387330594 /nfs/dbraw/zinc/33/05/94/1387330594.db2.gz XQONZNCMUDWEOV-UHFFFAOYSA-N 2 1 347.400 3.352 20 10 EGCDMP Oc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001204277619 1370429797 /nfs/dbraw/zinc/42/97/97/1370429797.db2.gz HBECIAFSNHHAQL-HKUYNNGSSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001204277619 1370429802 /nfs/dbraw/zinc/42/98/02/1370429802.db2.gz HBECIAFSNHHAQL-HKUYNNGSSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001204277619 1370429807 /nfs/dbraw/zinc/42/98/07/1370429807.db2.gz HBECIAFSNHHAQL-HKUYNNGSSA-N 2 1 338.451 3.052 20 10 EGCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001205570927 1370795157 /nfs/dbraw/zinc/79/51/57/1370795157.db2.gz PVUIIYIKGLGFJC-HXUWFJFHSA-N 2 1 331.479 3.038 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCC[C@H]1C[NH3+] ZINC001206023300 1370941202 /nfs/dbraw/zinc/94/12/02/1370941202.db2.gz FTRXOXXGPAKUMK-OLZOCXBDSA-N 2 1 346.393 3.140 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCC[C@@H]1C[NH3+] ZINC001206023299 1370941448 /nfs/dbraw/zinc/94/14/48/1370941448.db2.gz FTRXOXXGPAKUMK-CHWSQXEVSA-N 2 1 346.393 3.140 20 10 EGCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)CC[C@H]1F ZINC001206201882 1370991816 /nfs/dbraw/zinc/99/18/16/1370991816.db2.gz ZPENVVYADYVYMV-RTBURBONSA-N 2 1 344.430 3.232 20 10 EGCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC001206292878 1371014041 /nfs/dbraw/zinc/01/40/41/1371014041.db2.gz FCQIYBBEZYBBAH-HNNXBMFYSA-N 2 1 327.266 3.106 20 10 EGCDMP CCOc1ccc(N2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC001232018337 1376385734 /nfs/dbraw/zinc/38/57/34/1376385734.db2.gz IQCUDEXVJXKRQA-UHFFFAOYSA-N 2 1 336.439 3.284 20 10 EGCDMP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327211986 1388444669 /nfs/dbraw/zinc/44/46/69/1388444669.db2.gz ABNOZINBRKQIOP-HZPDHXFCSA-N 2 1 333.495 3.492 20 10 EGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138342342 1377706718 /nfs/dbraw/zinc/70/67/18/1377706718.db2.gz RAPQWTQEIOSLSG-UHFFFAOYSA-N 2 1 345.531 3.255 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC(F)(F)[C@@H](F)C3)cc2)CC1 ZINC001139407950 1377880743 /nfs/dbraw/zinc/88/07/43/1377880743.db2.gz HRRKTHJQGDOYDU-KRWDZBQOSA-N 2 1 341.421 3.008 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC(F)(F)[C@@H](F)C3)cc2)CC1 ZINC001139407950 1377880744 /nfs/dbraw/zinc/88/07/44/1377880744.db2.gz HRRKTHJQGDOYDU-KRWDZBQOSA-N 2 1 341.421 3.008 20 10 EGCDMP CC[NH+]1CCC([N@H+](C)Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141076416 1378232390 /nfs/dbraw/zinc/23/23/90/1378232390.db2.gz QZYODQDDTTUBQA-UHFFFAOYSA-N 2 1 327.516 3.302 20 10 EGCDMP CC[NH+]1CCC([N@@H+](C)Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141076416 1378232394 /nfs/dbraw/zinc/23/23/94/1378232394.db2.gz QZYODQDDTTUBQA-UHFFFAOYSA-N 2 1 327.516 3.302 20 10 EGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC001320760452 1386711201 /nfs/dbraw/zinc/71/12/01/1386711201.db2.gz VYDJZMBFZOGGML-ZACQAIPSSA-N 2 1 332.488 3.339 20 10 EGCDMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)[C@H](C)C1 ZINC000185461131 455560709 /nfs/dbraw/zinc/56/07/09/455560709.db2.gz OFZSCEKHRUMHMI-ZIFCJYIRSA-N 2 1 334.504 3.488 20 10 EGCDMP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000192924862 455719627 /nfs/dbraw/zinc/71/96/27/455719627.db2.gz WLCHYHOAZIXRBJ-KRWDZBQOSA-N 2 1 326.440 3.013 20 10 EGCDMP Oc1cccc2c1[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000295844732 455861866 /nfs/dbraw/zinc/86/18/66/455861866.db2.gz FSHVCPBNTSWZSZ-LJQANCHMSA-N 2 1 338.451 3.002 20 10 EGCDMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1O ZINC000377905768 458569663 /nfs/dbraw/zinc/56/96/63/458569663.db2.gz UCSNNKWPBVWBOO-CQSZACIVSA-N 2 1 338.879 3.218 20 10 EGCDMP Oc1ccc2ccncc2c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738264572 576308085 /nfs/dbraw/zinc/30/80/85/576308085.db2.gz DWOICGBDPDNVEM-KRWDZBQOSA-N 2 1 325.456 3.391 20 10 EGCDMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000092587812 1292876918 /nfs/dbraw/zinc/87/69/18/1292876918.db2.gz FDOMHBRAJZYTPE-MRXNPFEDSA-N 2 1 346.471 3.065 20 10 EGCDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000092587812 1292876931 /nfs/dbraw/zinc/87/69/31/1292876931.db2.gz FDOMHBRAJZYTPE-MRXNPFEDSA-N 2 1 346.471 3.065 20 10 EGCDMP COc1ccc(O)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000708563431 1298242461 /nfs/dbraw/zinc/24/24/61/1298242461.db2.gz XIECOEQKFSIEQX-APWZRJJASA-N 2 1 340.467 3.259 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000756433364 1300489367 /nfs/dbraw/zinc/48/93/67/1300489367.db2.gz YILHGEPCQUNIAY-HOTGVXAUSA-N 2 1 348.487 3.484 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000756433364 1300489374 /nfs/dbraw/zinc/48/93/74/1300489374.db2.gz YILHGEPCQUNIAY-HOTGVXAUSA-N 2 1 348.487 3.484 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000756630985 1300536854 /nfs/dbraw/zinc/53/68/54/1300536854.db2.gz WTQVUUCMYIDZAS-HNNXBMFYSA-N 2 1 336.476 3.338 20 10 EGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000765977007 1302359900 /nfs/dbraw/zinc/35/99/00/1302359900.db2.gz PFQORJPRKYSURW-UTKZUKDTSA-N 2 1 345.531 3.437 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]2CCCC[C@H]12 ZINC000783592538 1305114194 /nfs/dbraw/zinc/11/41/94/1305114194.db2.gz IPDWSQIZXRFLFP-UIFIKXQLSA-N 2 1 327.516 3.449 20 10 EGCDMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788622475 1305985854 /nfs/dbraw/zinc/98/58/54/1305985854.db2.gz AWIAATAORRVUED-CHWSQXEVSA-N 2 1 348.409 3.418 20 10 EGCDMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000840807519 1321153149 /nfs/dbraw/zinc/15/31/49/1321153149.db2.gz CPJJNCMUJFWOSA-DLBZAZTESA-N 2 1 349.494 3.045 20 10 EGCDMP CN(C)c1ccc([C@H](N)C[NH2+]Cc2cccc3c2OC(C)(C)C3)cc1 ZINC000841045379 1321208307 /nfs/dbraw/zinc/20/83/07/1321208307.db2.gz KMAWOZCIUSESTG-LJQANCHMSA-N 2 1 339.483 3.256 20 10 EGCDMP Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843125938 1321474384 /nfs/dbraw/zinc/47/43/84/1321474384.db2.gz DAAGTQYIECTSOP-STQMWFEESA-N 2 1 326.843 3.396 20 10 EGCDMP Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843125938 1321474388 /nfs/dbraw/zinc/47/43/88/1321474388.db2.gz DAAGTQYIECTSOP-STQMWFEESA-N 2 1 326.843 3.396 20 10 EGCDMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(Br)ccc1O ZINC000843359572 1321506081 /nfs/dbraw/zinc/50/60/81/1321506081.db2.gz XJSCSMBQHZHSTA-UHFFFAOYSA-N 2 1 341.293 3.366 20 10 EGCDMP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1O ZINC000843387836 1321509788 /nfs/dbraw/zinc/50/97/88/1321509788.db2.gz JBZUFSYKWKPSOK-ZIAGYGMSSA-N 2 1 336.863 3.070 20 10 EGCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1O ZINC000843387836 1321509795 /nfs/dbraw/zinc/50/97/95/1321509795.db2.gz JBZUFSYKWKPSOK-ZIAGYGMSSA-N 2 1 336.863 3.070 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC001206806227 1371174597 /nfs/dbraw/zinc/17/45/97/1371174597.db2.gz GICVWWZPKZHPKI-NWDGAFQWSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(O)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC001206806227 1371174602 /nfs/dbraw/zinc/17/46/02/1371174602.db2.gz GICVWWZPKZHPKI-NWDGAFQWSA-N 2 1 327.266 3.022 20 10 EGCDMP CN(Cc1ccc(O)c(O)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001203880787 1370298670 /nfs/dbraw/zinc/29/86/70/1370298670.db2.gz ZROWDDSFFNLDOH-GOSISDBHSA-N 2 1 326.440 3.052 20 10 EGCDMP C[N@@H+](Cc1ccc(O)c(O)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001203880787 1370298675 /nfs/dbraw/zinc/29/86/75/1370298675.db2.gz ZROWDDSFFNLDOH-GOSISDBHSA-N 2 1 326.440 3.052 20 10 EGCDMP C[N@H+](Cc1ccc(O)c(O)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001203880787 1370298677 /nfs/dbraw/zinc/29/86/77/1370298677.db2.gz ZROWDDSFFNLDOH-GOSISDBHSA-N 2 1 326.440 3.052 20 10 EGCDMP C[NH+](Cc1ccc(O)c(O)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001203880787 1370298680 /nfs/dbraw/zinc/29/86/80/1370298680.db2.gz ZROWDDSFFNLDOH-GOSISDBHSA-N 2 1 326.440 3.052 20 10 EGCDMP C[NH+](Cc1ccc(O)c(O)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001203880787 1370298682 /nfs/dbraw/zinc/29/86/82/1370298682.db2.gz ZROWDDSFFNLDOH-GOSISDBHSA-N 2 1 326.440 3.052 20 10 EGCDMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(O)cc1Br ZINC001205666062 1370834866 /nfs/dbraw/zinc/83/48/66/1370834866.db2.gz ZGYPKMKKSMADIN-AAEUAGOBSA-N 2 1 341.293 3.270 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1O ZINC001205913484 1370908411 /nfs/dbraw/zinc/90/84/11/1370908411.db2.gz ILJGWCODTRVGRC-VXGBXAGGSA-N 2 1 327.266 3.022 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(OC)c1 ZINC001205995866 1370933395 /nfs/dbraw/zinc/93/33/95/1370933395.db2.gz RENTZQZLSIUTEH-SJORKVTESA-N 2 1 333.520 3.348 20 10 EGCDMP C[C@H]1C[NH2+]CC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001206277259 1371011298 /nfs/dbraw/zinc/01/12/98/1371011298.db2.gz PXYNHIHDDBIWNE-INIZCTEOSA-N 2 1 326.440 3.013 20 10 EGCDMP C[C@H]1C[NH2+]CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001206277259 1371011303 /nfs/dbraw/zinc/01/13/03/1371011303.db2.gz PXYNHIHDDBIWNE-INIZCTEOSA-N 2 1 326.440 3.013 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4ccsc4C3)cc2)CC1 ZINC001139408621 1377880685 /nfs/dbraw/zinc/88/06/85/1377880685.db2.gz AUWLNYQJJNWXAC-UHFFFAOYSA-N 2 1 327.497 3.058 20 10 EGCDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC001340513666 1390302649 /nfs/dbraw/zinc/30/26/49/1390302649.db2.gz HQFPTOJVTRONKF-IAGOWNOFSA-N 2 1 349.494 3.045 20 10 EGCDMP CCN(C)c1ccc([C@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)cc1 ZINC000154465570 454899790 /nfs/dbraw/zinc/89/97/90/454899790.db2.gz SUXRHJHIAQCOBY-IBGZPJMESA-N 2 1 346.563 3.211 20 10 EGCDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1O ZINC000183386842 455285825 /nfs/dbraw/zinc/28/58/25/455285825.db2.gz ZMLJOFFNHUGVMZ-INIZCTEOSA-N 2 1 326.440 3.075 20 10 EGCDMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(O)c1 ZINC000184894376 455468569 /nfs/dbraw/zinc/46/85/69/455468569.db2.gz CJJBPEILFHVKPY-QGZVFWFLSA-N 2 1 340.467 3.384 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1O ZINC000277551918 455596110 /nfs/dbraw/zinc/59/61/10/455596110.db2.gz RBKBQHOMQLGSFV-OAHLLOKOSA-N 2 1 341.293 3.379 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1O ZINC000277551918 455596115 /nfs/dbraw/zinc/59/61/15/455596115.db2.gz RBKBQHOMQLGSFV-OAHLLOKOSA-N 2 1 341.293 3.379 20 10 EGCDMP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000192924756 455718746 /nfs/dbraw/zinc/71/87/46/455718746.db2.gz DGQYAFLXDHJHTA-SFHVURJKSA-N 2 1 340.467 3.403 20 10 EGCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Br)ccc1O ZINC000363861410 457457208 /nfs/dbraw/zinc/45/72/08/457457208.db2.gz WPEUQTMRYXWLNT-FPMFFAJLSA-N 2 1 339.277 3.432 20 10 EGCDMP Oc1ccccc1C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCCO1 ZINC000161797459 1294300437 /nfs/dbraw/zinc/30/04/37/1294300437.db2.gz TZGJQZPWTJFKFD-IBGZPJMESA-N 2 1 332.488 3.249 20 10 EGCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(C(C)(C)C)cc(O)c3O)CC[C@H]21 ZINC000164689540 1294352354 /nfs/dbraw/zinc/35/23/54/1294352354.db2.gz ZRVYIBWHNMCVRX-RHSMWYFYSA-N 2 1 332.488 3.311 20 10 EGCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(C(C)(C)C)cc(O)c3O)CC[C@H]21 ZINC000164689540 1294352361 /nfs/dbraw/zinc/35/23/61/1294352361.db2.gz ZRVYIBWHNMCVRX-RHSMWYFYSA-N 2 1 332.488 3.311 20 10 EGCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(C(C)(C)C)cc(O)c3O)CC[C@H]21 ZINC000164689540 1294352365 /nfs/dbraw/zinc/35/23/65/1294352365.db2.gz ZRVYIBWHNMCVRX-RHSMWYFYSA-N 2 1 332.488 3.311 20 10 EGCDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000179884532 1294835977 /nfs/dbraw/zinc/83/59/77/1294835977.db2.gz GJFBPQAMEKBNSD-KRWDZBQOSA-N 2 1 332.488 3.345 20 10 EGCDMP C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)[C@H]1CC[NH3+] ZINC000404293595 1297749660 /nfs/dbraw/zinc/74/96/60/1297749660.db2.gz WFMDYSZLKPSGTM-RISCZKNCSA-N 2 1 327.266 3.104 20 10 EGCDMP COCC[N@@H+](C)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725847025 1298373594 /nfs/dbraw/zinc/37/35/94/1298373594.db2.gz AYJNSUFOZAZGCL-UHFFFAOYSA-N 2 1 328.456 3.117 20 10 EGCDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876897729 1299055638 /nfs/dbraw/zinc/05/56/38/1299055638.db2.gz VKNPNROZKQTNPV-SFHVURJKSA-N 2 1 345.531 3.002 20 10 EGCDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3c(C)cccc3O)CC2)oc1C ZINC000877009035 1299111841 /nfs/dbraw/zinc/11/18/41/1299111841.db2.gz RTLLAAPVDZSTOZ-UHFFFAOYSA-N 2 1 343.471 3.307 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000756762581 1300562453 /nfs/dbraw/zinc/56/24/53/1300562453.db2.gz UTDXSGDBTMTCLD-HZPDHXFCSA-N 2 1 348.487 3.197 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000756762581 1300562459 /nfs/dbraw/zinc/56/24/59/1300562459.db2.gz UTDXSGDBTMTCLD-HZPDHXFCSA-N 2 1 348.487 3.197 20 10 EGCDMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000762648987 1301720907 /nfs/dbraw/zinc/72/09/07/1301720907.db2.gz KLNCKPAZKOANPK-YLJYHZDGSA-N 2 1 333.520 3.294 20 10 EGCDMP COc1cccc(O)c1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000769147272 1303056133 /nfs/dbraw/zinc/05/61/33/1303056133.db2.gz DKNFWJMXKGNQLC-QGZVFWFLSA-N 2 1 332.488 3.345 20 10 EGCDMP COc1cccc(O)c1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000769147272 1303056135 /nfs/dbraw/zinc/05/61/35/1303056135.db2.gz DKNFWJMXKGNQLC-QGZVFWFLSA-N 2 1 332.488 3.345 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000775652309 1304004887 /nfs/dbraw/zinc/00/48/87/1304004887.db2.gz XPEUWGIHHYXTNE-OAQYLSRUSA-N 2 1 335.495 3.428 20 10 EGCDMP COc1ccc(O)c(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000775664651 1304009292 /nfs/dbraw/zinc/00/92/92/1304009292.db2.gz OFKGUSDVZKONAA-SJORKVTESA-N 2 1 332.488 3.487 20 10 EGCDMP COc1ccc(O)c(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000775664651 1304009298 /nfs/dbraw/zinc/00/92/98/1304009298.db2.gz OFKGUSDVZKONAA-SJORKVTESA-N 2 1 332.488 3.487 20 10 EGCDMP COc1ccc(O)c(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000775664651 1304009306 /nfs/dbraw/zinc/00/93/06/1304009306.db2.gz OFKGUSDVZKONAA-SJORKVTESA-N 2 1 332.488 3.487 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCS[C@H]4CCCC[C@H]43)cc2)CC1 ZINC000775725238 1304021961 /nfs/dbraw/zinc/02/19/61/1304021961.db2.gz QVLXVTFPROXQTJ-UXHICEINSA-N 2 1 345.556 3.298 20 10 EGCDMP COc1cccc(O)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793207693 1309317521 /nfs/dbraw/zinc/31/75/21/1309317521.db2.gz RLIPSDOKCGKCTL-QGZVFWFLSA-N 2 1 326.440 3.013 20 10 EGCDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(O)cccc1Br ZINC000858145435 1328695389 /nfs/dbraw/zinc/69/53/89/1328695389.db2.gz UIHWBZQQQYIWBQ-UHFFFAOYSA-N 2 1 338.249 3.230 20 10 EGCDMP Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000858245746 1328720884 /nfs/dbraw/zinc/72/08/84/1328720884.db2.gz NIXFDWSNMNLDPU-CYBMUJFWSA-N 2 1 341.293 3.285 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000858245746 1328720889 /nfs/dbraw/zinc/72/08/89/1328720889.db2.gz NIXFDWSNMNLDPU-CYBMUJFWSA-N 2 1 341.293 3.285 20 10 EGCDMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000817890870 1319453854 /nfs/dbraw/zinc/45/38/54/1319453854.db2.gz ATTAFCCPJARZEH-IWMITWMQSA-N 2 1 337.467 3.319 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]4(CCSC4)C3)cc2)CC1 ZINC000825215605 1320318525 /nfs/dbraw/zinc/31/85/25/1320318525.db2.gz SSMRJOJSCNNEAB-FQEVSTJZSA-N 2 1 345.556 3.158 20 10 EGCDMP C[C@]1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000841056611 1321210941 /nfs/dbraw/zinc/21/09/41/1321210941.db2.gz HEAKNUJQJUBJHE-IBGZPJMESA-N 2 1 346.475 3.064 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843052019 1321461750 /nfs/dbraw/zinc/46/17/50/1321461750.db2.gz OCJHYFUBQBKJIP-VXGBXAGGSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(O)cc1Br ZINC001205296350 1370711359 /nfs/dbraw/zinc/71/13/59/1370711359.db2.gz NFUAWNRTXATELY-HNNXBMFYSA-N 2 1 327.266 3.166 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(OC)c1 ZINC001206304229 1371015626 /nfs/dbraw/zinc/01/56/26/1371015626.db2.gz HVYQFLKPGXUHHV-HXUWFJFHSA-N 2 1 333.520 3.492 20 10 EGCDMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(O)cc1Br ZINC001206338214 1371027194 /nfs/dbraw/zinc/02/71/94/1371027194.db2.gz YGLNQOGJONYVEU-INIZCTEOSA-N 2 1 341.293 3.414 20 10 EGCDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001206547057 1371090690 /nfs/dbraw/zinc/09/06/90/1371090690.db2.gz AZXYRDLWMHQDNW-OAQYLSRUSA-N 2 1 343.515 3.042 20 10 EGCDMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N(CC)CC)cc3OC)C[C@@H]2C1 ZINC001138392240 1377714238 /nfs/dbraw/zinc/71/42/38/1377714238.db2.gz UASNSQCWSKHHHN-KDURUIRLSA-N 2 1 345.531 3.315 20 10 EGCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N(CC)CC)cc3OC)C[C@@H]2C1 ZINC001138392240 1377714239 /nfs/dbraw/zinc/71/42/39/1377714239.db2.gz UASNSQCWSKHHHN-KDURUIRLSA-N 2 1 345.531 3.315 20 10 EGCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N(CC)CC)cc3OC)C[C@@H]2C1 ZINC001138392240 1377714240 /nfs/dbraw/zinc/71/42/40/1377714240.db2.gz UASNSQCWSKHHHN-KDURUIRLSA-N 2 1 345.531 3.315 20 10 EGCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N(CC)CC)cc3OC)C[C@@H]2C1 ZINC001138392240 1377714241 /nfs/dbraw/zinc/71/42/41/1377714241.db2.gz UASNSQCWSKHHHN-KDURUIRLSA-N 2 1 345.531 3.315 20 10 EGCDMP CCN(CC)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(OC)c1 ZINC001138389391 1377714293 /nfs/dbraw/zinc/71/42/93/1377714293.db2.gz NPWUQBLXSYOVEW-UHFFFAOYSA-N 2 1 333.520 3.315 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC(F)(F)[C@H](F)C3)cc2)CC1 ZINC001139407952 1377880676 /nfs/dbraw/zinc/88/06/76/1377880676.db2.gz HRRKTHJQGDOYDU-QGZVFWFLSA-N 2 1 341.421 3.008 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC(F)(F)[C@H](F)C3)cc2)CC1 ZINC001139407952 1377880677 /nfs/dbraw/zinc/88/06/77/1377880677.db2.gz HRRKTHJQGDOYDU-QGZVFWFLSA-N 2 1 341.421 3.008 20 10 EGCDMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c1 ZINC001140619903 1378099586 /nfs/dbraw/zinc/09/95/86/1378099586.db2.gz UMLAWSRMEQEXFI-FQEVSTJZSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1ccc(O)c(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001140619903 1378099588 /nfs/dbraw/zinc/09/95/88/1378099588.db2.gz UMLAWSRMEQEXFI-FQEVSTJZSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1ccc(O)c(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001140619903 1378099590 /nfs/dbraw/zinc/09/95/90/1378099590.db2.gz UMLAWSRMEQEXFI-FQEVSTJZSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001140619903 1378099591 /nfs/dbraw/zinc/09/95/91/1378099591.db2.gz UMLAWSRMEQEXFI-FQEVSTJZSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001140619903 1378099592 /nfs/dbraw/zinc/09/95/92/1378099592.db2.gz UMLAWSRMEQEXFI-FQEVSTJZSA-N 2 1 332.488 3.023 20 10 EGCDMP Oc1ccc(O)c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001141161319 1378254188 /nfs/dbraw/zinc/25/41/88/1378254188.db2.gz DRNQXJUVBAVPLP-HKUYNNGSSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(O)c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001141161319 1378254194 /nfs/dbraw/zinc/25/41/94/1378254194.db2.gz DRNQXJUVBAVPLP-HKUYNNGSSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(O)c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001141161319 1378254197 /nfs/dbraw/zinc/25/41/97/1378254197.db2.gz DRNQXJUVBAVPLP-HKUYNNGSSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(O)c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001141161319 1378254203 /nfs/dbraw/zinc/25/42/03/1378254203.db2.gz DRNQXJUVBAVPLP-HKUYNNGSSA-N 2 1 338.451 3.052 20 10 EGCDMP CC(C)COCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001172463521 1384797642 /nfs/dbraw/zinc/79/76/42/1384797642.db2.gz OZSFTPPAQBBCLN-QGZVFWFLSA-N 2 1 334.504 3.397 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4occc43)cc2F)CC1 ZINC001318630625 1385805100 /nfs/dbraw/zinc/80/51/00/1385805100.db2.gz XFGQRINKYKPXFE-GOSISDBHSA-N 2 1 343.446 3.338 20 10 EGCDMP COC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCCCC1 ZINC001320708269 1386697895 /nfs/dbraw/zinc/69/78/95/1386697895.db2.gz JOWGNLVOAFIGAA-UHFFFAOYSA-N 2 1 349.494 3.016 20 10 EGCDMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H]1C ZINC001338751764 1389751713 /nfs/dbraw/zinc/75/17/13/1389751713.db2.gz QPIGELJEFPGZCO-GPMSIDNRSA-N 2 1 333.495 3.492 20 10 EGCDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC001348447487 1391220791 /nfs/dbraw/zinc/22/07/91/1391220791.db2.gz QDKJGHKUUJZJRM-RDJZCZTQSA-N 2 1 341.421 3.246 20 10 EGCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC001348447487 1391220794 /nfs/dbraw/zinc/22/07/94/1391220794.db2.gz QDKJGHKUUJZJRM-RDJZCZTQSA-N 2 1 341.421 3.246 20 10 EGCDMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1O ZINC000184997884 455483590 /nfs/dbraw/zinc/48/35/90/455483590.db2.gz KHZAXWKJTMZWQD-VXGBXAGGSA-N 2 1 339.277 3.290 20 10 EGCDMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1O ZINC000184997884 455483591 /nfs/dbraw/zinc/48/35/91/455483591.db2.gz KHZAXWKJTMZWQD-VXGBXAGGSA-N 2 1 339.277 3.290 20 10 EGCDMP CCN(C)c1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160683472 455487599 /nfs/dbraw/zinc/48/75/99/455487599.db2.gz VWQCQDDBYZZMAO-FXAWDEMLSA-N 2 1 333.520 3.030 20 10 EGCDMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(C)cc1O ZINC000280097660 455891236 /nfs/dbraw/zinc/89/12/36/455891236.db2.gz MWRZWHOLDLEWOH-LJQANCHMSA-N 2 1 333.520 3.159 20 10 EGCDMP COc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272702638 456045773 /nfs/dbraw/zinc/04/57/73/456045773.db2.gz YYEUNYSLSFYJRC-SJLPKXTDSA-N 2 1 340.467 3.401 20 10 EGCDMP COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272702637 456045890 /nfs/dbraw/zinc/04/58/90/456045890.db2.gz YYEUNYSLSFYJRC-FUHWJXTLSA-N 2 1 340.467 3.401 20 10 EGCDMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Br)cc3O)CC[C@H]21 ZINC000691681811 1298135904 /nfs/dbraw/zinc/13/59/04/1298135904.db2.gz YNKLEKPQSLQXPI-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Br)cc3O)CC[C@H]21 ZINC000691681811 1298135909 /nfs/dbraw/zinc/13/59/09/1298135909.db2.gz YNKLEKPQSLQXPI-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)cc3O)CC[C@H]21 ZINC000691681811 1298135912 /nfs/dbraw/zinc/13/59/12/1298135912.db2.gz YNKLEKPQSLQXPI-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3O)CC[C@H]21 ZINC000691681811 1298135918 /nfs/dbraw/zinc/13/59/18/1298135918.db2.gz YNKLEKPQSLQXPI-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000131379071 1293688499 /nfs/dbraw/zinc/68/84/99/1293688499.db2.gz YSNSWDCYTVLTIR-OAHLLOKOSA-N 2 1 332.488 3.313 20 10 EGCDMP CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000131379071 1293688507 /nfs/dbraw/zinc/68/85/07/1293688507.db2.gz YSNSWDCYTVLTIR-OAHLLOKOSA-N 2 1 332.488 3.313 20 10 EGCDMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000702555041 1298195308 /nfs/dbraw/zinc/19/53/08/1298195308.db2.gz YKBLNBXNRJWGPE-CTNGQTDRSA-N 2 1 340.467 3.070 20 10 EGCDMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000702555041 1298195319 /nfs/dbraw/zinc/19/53/19/1298195319.db2.gz YKBLNBXNRJWGPE-CTNGQTDRSA-N 2 1 340.467 3.070 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000756430992 1300488110 /nfs/dbraw/zinc/48/81/10/1300488110.db2.gz LMVBHYPOUMEGJV-HZPDHXFCSA-N 2 1 348.487 3.342 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000756430992 1300488115 /nfs/dbraw/zinc/48/81/15/1300488115.db2.gz LMVBHYPOUMEGJV-HZPDHXFCSA-N 2 1 348.487 3.342 20 10 EGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC000765623887 1302290752 /nfs/dbraw/zinc/29/07/52/1302290752.db2.gz PRCAJIOTUXDIRL-HKUYNNGSSA-N 2 1 334.504 3.230 20 10 EGCDMP Cc1csc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000883290765 1302369594 /nfs/dbraw/zinc/36/95/94/1302369594.db2.gz GDRXERJFPHLPAX-OAHLLOKOSA-N 2 1 330.501 3.054 20 10 EGCDMP CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(O)c1 ZINC000770374397 1303256259 /nfs/dbraw/zinc/25/62/59/1303256259.db2.gz NFZIUJZTNLNLDU-DNVCBOLYSA-N 2 1 330.472 3.240 20 10 EGCDMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(O)c1 ZINC000770374397 1303256266 /nfs/dbraw/zinc/25/62/66/1303256266.db2.gz NFZIUJZTNLNLDU-DNVCBOLYSA-N 2 1 330.472 3.240 20 10 EGCDMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(O)c1 ZINC000770374397 1303256273 /nfs/dbraw/zinc/25/62/73/1303256273.db2.gz NFZIUJZTNLNLDU-DNVCBOLYSA-N 2 1 330.472 3.240 20 10 EGCDMP C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775688143 1304015498 /nfs/dbraw/zinc/01/54/98/1304015498.db2.gz LFZAZSNNQOSZDW-QGZVFWFLSA-N 2 1 339.483 3.337 20 10 EGCDMP CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1(C)C ZINC000775735488 1304023917 /nfs/dbraw/zinc/02/39/17/1304023917.db2.gz PONGRZLZUCRRIH-FPOVZHCZSA-N 2 1 345.531 3.074 20 10 EGCDMP CC(C)[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCS1 ZINC000775735100 1304024714 /nfs/dbraw/zinc/02/47/14/1304024714.db2.gz HDQAWQVQGASQST-IBGZPJMESA-N 2 1 333.545 3.012 20 10 EGCDMP COc1cc(C)cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1O ZINC000894765670 1309056749 /nfs/dbraw/zinc/05/67/49/1309056749.db2.gz KIMOEAKZEFQXMC-UHFFFAOYSA-N 2 1 328.456 3.403 20 10 EGCDMP C[NH+](Cc1c(O)ccc2c1ccc(O)c2C[N@H+](C)C1CC1)C1CC1 ZINC000902048532 1317513249 /nfs/dbraw/zinc/51/32/49/1317513249.db2.gz IDIFHEDSDOXEKE-UHFFFAOYSA-N 2 1 326.440 3.439 20 10 EGCDMP [NH3+]C1(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000904445633 1317848166 /nfs/dbraw/zinc/84/81/66/1317848166.db2.gz YSYJHJYVRYWENA-UHFFFAOYSA-N 2 1 338.293 3.020 20 10 EGCDMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc(OC)c1O ZINC000809750403 1317889734 /nfs/dbraw/zinc/88/97/34/1317889734.db2.gz USLKKKMUBITHKE-UHFFFAOYSA-N 2 1 326.868 3.362 20 10 EGCDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc(OC)c1O ZINC000809750403 1317889737 /nfs/dbraw/zinc/88/97/37/1317889737.db2.gz USLKKKMUBITHKE-UHFFFAOYSA-N 2 1 326.868 3.362 20 10 EGCDMP C[NH+]1CCC([C@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)CC1 ZINC000809755170 1317891667 /nfs/dbraw/zinc/89/16/67/1317891667.db2.gz GWKLJNKJSNKVDA-ZDUSSCGKSA-N 2 1 326.843 3.348 20 10 EGCDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)CC1 ZINC000809755170 1317891676 /nfs/dbraw/zinc/89/16/76/1317891676.db2.gz GWKLJNKJSNKVDA-ZDUSSCGKSA-N 2 1 326.843 3.348 20 10 EGCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(OCC)ccc1O ZINC000809757277 1317893148 /nfs/dbraw/zinc/89/31/48/1317893148.db2.gz YCJYEYPTYUDUIT-UHFFFAOYSA-N 2 1 331.460 3.462 20 10 EGCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(OCC)ccc1O ZINC000809757277 1317893153 /nfs/dbraw/zinc/89/31/53/1317893153.db2.gz YCJYEYPTYUDUIT-UHFFFAOYSA-N 2 1 331.460 3.462 20 10 EGCDMP CSC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC[NH+](C)CC1 ZINC000816614597 1319195555 /nfs/dbraw/zinc/19/55/55/1319195555.db2.gz AFAUYJCDJIXLTR-UHFFFAOYSA-N 2 1 332.872 3.102 20 10 EGCDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc3ccccc3c2O)CCCO1 ZINC000816592584 1319190366 /nfs/dbraw/zinc/19/03/66/1319190366.db2.gz OBLRDDHYRQDEMZ-INIZCTEOSA-N 2 1 328.456 3.136 20 10 EGCDMP COCC1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC[NH2+]CC1 ZINC000817973881 1319483004 /nfs/dbraw/zinc/48/30/04/1319483004.db2.gz GYDSIHNLSOPSHN-GFCCVEGCSA-N 2 1 346.393 3.078 20 10 EGCDMP C[C@@]1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000841056619 1321210987 /nfs/dbraw/zinc/21/09/87/1321210987.db2.gz HEAKNUJQJUBJHE-LJQANCHMSA-N 2 1 346.475 3.064 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1O ZINC000843056577 1321463143 /nfs/dbraw/zinc/46/31/43/1321463143.db2.gz RAUFLPFOTPDBFA-CQSZACIVSA-N 2 1 329.282 3.268 20 10 EGCDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000843058753 1321463842 /nfs/dbraw/zinc/46/38/42/1321463842.db2.gz XJEIGSHDXCBLPN-WBVHZDCISA-N 2 1 326.440 3.140 20 10 EGCDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843113601 1321472572 /nfs/dbraw/zinc/47/25/72/1321472572.db2.gz YLBWGWCRTAOYKL-INIZCTEOSA-N 2 1 346.475 3.146 20 10 EGCDMP COc1cccc(O)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000865661597 1329726522 /nfs/dbraw/zinc/72/65/22/1329726522.db2.gz UQJCJRYYQDTEDB-SJLPKXTDSA-N 2 1 340.467 3.259 20 10 EGCDMP CC(C)N1CCOC[C@@]2(CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1 ZINC001203930738 1370318798 /nfs/dbraw/zinc/31/87/98/1370318798.db2.gz GXBQQSORCQAXLQ-OAQYLSRUSA-N 2 1 345.531 3.075 20 10 EGCDMP CC(C)N1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)C1 ZINC001203930738 1370318805 /nfs/dbraw/zinc/31/88/05/1370318805.db2.gz GXBQQSORCQAXLQ-OAQYLSRUSA-N 2 1 345.531 3.075 20 10 EGCDMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(N(C)C)cc3)C2)C1 ZINC001203930738 1370318808 /nfs/dbraw/zinc/31/88/08/1370318808.db2.gz GXBQQSORCQAXLQ-OAQYLSRUSA-N 2 1 345.531 3.075 20 10 EGCDMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(N(C)C)cc3)C2)C1 ZINC001203930738 1370318816 /nfs/dbraw/zinc/31/88/16/1370318816.db2.gz GXBQQSORCQAXLQ-OAQYLSRUSA-N 2 1 345.531 3.075 20 10 EGCDMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1 ZINC001203930738 1370318822 /nfs/dbraw/zinc/31/88/22/1370318822.db2.gz GXBQQSORCQAXLQ-OAQYLSRUSA-N 2 1 345.531 3.075 20 10 EGCDMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)C1 ZINC001203930738 1370318828 /nfs/dbraw/zinc/31/88/28/1370318828.db2.gz GXBQQSORCQAXLQ-OAQYLSRUSA-N 2 1 345.531 3.075 20 10 EGCDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(OC)c1 ZINC001205618412 1370812702 /nfs/dbraw/zinc/81/27/02/1370812702.db2.gz VTYLLWJTDZQIRP-IRXDYDNUSA-N 2 1 333.520 3.348 20 10 EGCDMP COCC[N@@H+](Cc1ccc(N(C)C)c2ccccc12)C1CC[NH2+]CC1 ZINC001235946765 1376922249 /nfs/dbraw/zinc/92/22/49/1376922249.db2.gz RYBJEPWZHWPFAR-UHFFFAOYSA-N 2 1 341.499 3.106 20 10 EGCDMP Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4c(O)cccc4F)C[C@H]3C2)cc1 ZINC001137834752 1377625911 /nfs/dbraw/zinc/62/59/11/1377625911.db2.gz RPNUWXSFJAQILW-HDICACEKSA-N 2 1 340.442 3.404 20 10 EGCDMP Cc1cccc2c1CC[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001139404680 1377880118 /nfs/dbraw/zinc/88/01/18/1377880118.db2.gz VSHZPZCQUDSEPA-UHFFFAOYSA-N 2 1 335.495 3.305 20 10 EGCDMP Oc1ccc(F)cc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001140060276 1377998617 /nfs/dbraw/zinc/99/86/17/1377998617.db2.gz SUVYUWQWLFOQGJ-PKOBYXMFSA-N 2 1 340.442 3.485 20 10 EGCDMP Oc1ccc(F)cc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001140060276 1377998618 /nfs/dbraw/zinc/99/86/18/1377998618.db2.gz SUVYUWQWLFOQGJ-PKOBYXMFSA-N 2 1 340.442 3.485 20 10 EGCDMP Oc1ccc(F)cc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001140060276 1377998619 /nfs/dbraw/zinc/99/86/19/1377998619.db2.gz SUVYUWQWLFOQGJ-PKOBYXMFSA-N 2 1 340.442 3.485 20 10 EGCDMP Oc1ccc(F)cc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001140060276 1377998620 /nfs/dbraw/zinc/99/86/20/1377998620.db2.gz SUVYUWQWLFOQGJ-PKOBYXMFSA-N 2 1 340.442 3.485 20 10 EGCDMP Oc1ccccc1C[NH+]1CCC([NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171785535 1384636362 /nfs/dbraw/zinc/63/63/62/1384636362.db2.gz OZXFVBBGFOEBGF-SFHVURJKSA-N 2 1 340.442 3.253 20 10 EGCDMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Br)ccc2O)C1 ZINC000368131637 458014652 /nfs/dbraw/zinc/01/46/52/458014652.db2.gz AXWPYUDAGGQHLK-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Br)ccc2O)C1 ZINC000368131637 458014658 /nfs/dbraw/zinc/01/46/58/458014658.db2.gz AXWPYUDAGGQHLK-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(Br)ccc2O)C1 ZINC000368131637 458014666 /nfs/dbraw/zinc/01/46/66/458014666.db2.gz AXWPYUDAGGQHLK-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(Br)ccc2O)C1 ZINC000368131637 458014669 /nfs/dbraw/zinc/01/46/69/458014669.db2.gz AXWPYUDAGGQHLK-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000124446549 454734501 /nfs/dbraw/zinc/73/45/01/454734501.db2.gz BNCUFKGVOKOUOS-NRFANRHFSA-N 2 1 346.563 3.067 20 10 EGCDMP COc1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@H+](C(C)C)C3)CC2)cc1 ZINC000125847948 454851397 /nfs/dbraw/zinc/85/13/97/454851397.db2.gz QLKKVJIYNSLYFT-SFHVURJKSA-N 2 1 345.531 3.374 20 10 EGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000178695068 454968186 /nfs/dbraw/zinc/96/81/86/454968186.db2.gz UXXGUXMMISWFRY-DLBZAZTESA-N 2 1 342.487 3.015 20 10 EGCDMP CCOCc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000171764716 455093103 /nfs/dbraw/zinc/09/31/03/455093103.db2.gz OEHSCPSNTIFRCT-HNNXBMFYSA-N 2 1 331.460 3.163 20 10 EGCDMP CCCn1ccnc1CCC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000191485190 455489955 /nfs/dbraw/zinc/48/99/55/455489955.db2.gz IPFWCPWXSFMQQC-UHFFFAOYSA-N 2 1 347.434 3.405 20 10 EGCDMP CCCn1ccnc1CCC[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000191485190 455489959 /nfs/dbraw/zinc/48/99/59/455489959.db2.gz IPFWCPWXSFMQQC-UHFFFAOYSA-N 2 1 347.434 3.405 20 10 EGCDMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(C)cc1O ZINC000280188997 455912559 /nfs/dbraw/zinc/91/25/59/455912559.db2.gz SCIQLWBBVBHYFB-IBGZPJMESA-N 2 1 333.520 3.015 20 10 EGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)[C@H](C)C1 ZINC000297549393 456249179 /nfs/dbraw/zinc/24/91/79/456249179.db2.gz FOGDUNIPKURBRW-NJAFHUGGSA-N 2 1 332.488 3.106 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000367767578 457979393 /nfs/dbraw/zinc/97/93/93/457979393.db2.gz BOAQTORIOAHUJA-LSDHHAIUSA-N 2 1 339.277 3.180 20 10 EGCDMP Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729683585 574878996 /nfs/dbraw/zinc/87/89/96/574878996.db2.gz PESXBIGJRZHQII-WOJBJXKFSA-N 2 1 338.451 3.012 20 10 EGCDMP Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729683585 574878998 /nfs/dbraw/zinc/87/89/98/574878998.db2.gz PESXBIGJRZHQII-WOJBJXKFSA-N 2 1 338.451 3.012 20 10 EGCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(Br)c3[O-])CC[C@H]21 ZINC000228183418 1296151675 /nfs/dbraw/zinc/15/16/75/1296151675.db2.gz MLYBDRGLZBETHT-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2c1c(F)ccc2O ZINC000756570840 1300524630 /nfs/dbraw/zinc/52/46/30/1300524630.db2.gz BNGKLXWKNIMSKG-UNEWFSDZSA-N 2 1 348.462 3.313 20 10 EGCDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc(Br)ccc1O ZINC000769483126 1303122270 /nfs/dbraw/zinc/12/22/70/1303122270.db2.gz MHQYPDXHFFXSHB-HNNXBMFYSA-N 2 1 341.293 3.461 20 10 EGCDMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cc(Br)ccc1O ZINC000769483126 1303122255 /nfs/dbraw/zinc/12/22/55/1303122255.db2.gz MHQYPDXHFFXSHB-HNNXBMFYSA-N 2 1 341.293 3.461 20 10 EGCDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(Br)ccc1O ZINC000769483126 1303122257 /nfs/dbraw/zinc/12/22/57/1303122257.db2.gz MHQYPDXHFFXSHB-HNNXBMFYSA-N 2 1 341.293 3.461 20 10 EGCDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(Br)ccc1O ZINC000769483126 1303122263 /nfs/dbraw/zinc/12/22/63/1303122263.db2.gz MHQYPDXHFFXSHB-HNNXBMFYSA-N 2 1 341.293 3.461 20 10 EGCDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(Br)ccc1O ZINC000769483126 1303122267 /nfs/dbraw/zinc/12/22/67/1303122267.db2.gz MHQYPDXHFFXSHB-HNNXBMFYSA-N 2 1 341.293 3.461 20 10 EGCDMP COc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c(O)c1OC ZINC000896027207 1309659326 /nfs/dbraw/zinc/65/93/26/1309659326.db2.gz HMZHNTQPJPRSJN-UHFFFAOYSA-N 2 1 336.476 3.107 20 10 EGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(O)cccc1Br ZINC000858125656 1328689897 /nfs/dbraw/zinc/68/98/97/1328689897.db2.gz JQTJEWLQGIWXCP-LLVKDONJSA-N 2 1 338.249 3.086 20 10 EGCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1O ZINC000818340948 1319530290 /nfs/dbraw/zinc/53/02/90/1319530290.db2.gz SUIYASKVQDZDTN-LBPRGKRZSA-N 2 1 336.863 3.212 20 10 EGCDMP CC(=O)c1cc(Cl)cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1O ZINC000818340948 1319530295 /nfs/dbraw/zinc/53/02/95/1319530295.db2.gz SUIYASKVQDZDTN-LBPRGKRZSA-N 2 1 336.863 3.212 20 10 EGCDMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Br)ccc1O)CC[NH2+]CC2 ZINC000818431922 1319540494 /nfs/dbraw/zinc/54/04/94/1319540494.db2.gz WLYANYXNJZWOOR-GFCCVEGCSA-N 2 1 339.277 3.119 20 10 EGCDMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C(C)(C)C)cc(O)c3O)C2)C1 ZINC000840087430 1321025821 /nfs/dbraw/zinc/02/58/21/1321025821.db2.gz SFSVWJBMAFTADP-HXUWFJFHSA-N 2 1 332.488 3.313 20 10 EGCDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C(C)(C)C)cc(O)c3O)C2)C1 ZINC000840087430 1321025822 /nfs/dbraw/zinc/02/58/22/1321025822.db2.gz SFSVWJBMAFTADP-HXUWFJFHSA-N 2 1 332.488 3.313 20 10 EGCDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C(C)(C)C)cc(O)c3O)C2)C1 ZINC000840087430 1321025823 /nfs/dbraw/zinc/02/58/23/1321025823.db2.gz SFSVWJBMAFTADP-HXUWFJFHSA-N 2 1 332.488 3.313 20 10 EGCDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C(C)(C)C)cc(O)c3O)C2)C1 ZINC000840087430 1321025824 /nfs/dbraw/zinc/02/58/24/1321025824.db2.gz SFSVWJBMAFTADP-HXUWFJFHSA-N 2 1 332.488 3.313 20 10 EGCDMP CC(C)Oc1cccc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000841044841 1321208524 /nfs/dbraw/zinc/20/85/24/1321208524.db2.gz YYNAZCTXTMCZNM-HXUWFJFHSA-N 2 1 327.472 3.329 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000841073736 1321213786 /nfs/dbraw/zinc/21/37/86/1321213786.db2.gz WXZGPNAKOHLFMJ-CYBMUJFWSA-N 2 1 327.266 3.085 20 10 EGCDMP Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843120871 1321473071 /nfs/dbraw/zinc/47/30/71/1321473071.db2.gz WYWZEQFOAGTOAU-OAQYLSRUSA-N 2 1 338.451 3.157 20 10 EGCDMP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1O ZINC000843387824 1321509932 /nfs/dbraw/zinc/50/99/32/1321509932.db2.gz JBZUFSYKWKPSOK-KBPBESRZSA-N 2 1 336.863 3.070 20 10 EGCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1O ZINC000843387824 1321509936 /nfs/dbraw/zinc/50/99/36/1321509936.db2.gz JBZUFSYKWKPSOK-KBPBESRZSA-N 2 1 336.863 3.070 20 10 EGCDMP C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])[C@@H]1CC[NH3+] ZINC000844902317 1321656112 /nfs/dbraw/zinc/65/61/12/1321656112.db2.gz PGTKXOCCFKXLDA-BXUZGUMPSA-N 2 1 327.266 3.104 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000844902226 1321656237 /nfs/dbraw/zinc/65/62/37/1321656237.db2.gz MCWUYLKMKGZZMY-QKNQBKEWSA-N 2 1 345.531 3.251 20 10 EGCDMP [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000862228394 1329468218 /nfs/dbraw/zinc/46/82/18/1329468218.db2.gz BNYOLLSAPYKKSE-LLVKDONJSA-N 2 1 336.233 3.257 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1Br ZINC001206641272 1371116474 /nfs/dbraw/zinc/11/64/74/1371116474.db2.gz VONXJRQUCSDLFT-GFCCVEGCSA-N 2 1 327.266 3.024 20 10 EGCDMP CC(C)(C)c1cc(O)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1Cl ZINC001205254731 1370696860 /nfs/dbraw/zinc/69/68/60/1370696860.db2.gz AQANVSVBELWCPE-SFHVURJKSA-N 2 1 340.895 3.019 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1O ZINC001206011953 1370937951 /nfs/dbraw/zinc/93/79/51/1370937951.db2.gz HUUPXDYXJLUBIR-CHWSQXEVSA-N 2 1 341.293 3.270 20 10 EGCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001206312048 1371018206 /nfs/dbraw/zinc/01/82/06/1371018206.db2.gz YLYBBBBCZQFHSQ-NRFANRHFSA-N 2 1 327.516 3.336 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1O ZINC001206318061 1371019954 /nfs/dbraw/zinc/01/99/54/1371019954.db2.gz LWGNLMQJVBUZAU-MRXNPFEDSA-N 2 1 341.293 3.414 20 10 EGCDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC001206556297 1371091984 /nfs/dbraw/zinc/09/19/84/1371091984.db2.gz QTKMZRSIIYHHQA-OAHLLOKOSA-N 2 1 327.266 3.106 20 10 EGCDMP C[N@H+](Cc1ccsc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326734331 1388294062 /nfs/dbraw/zinc/29/40/62/1388294062.db2.gz LSBVJEAKYCPCFZ-UHFFFAOYSA-N 2 1 333.476 3.271 20 10 EGCDMP C[N@@H+](Cc1ccsc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326734331 1388294068 /nfs/dbraw/zinc/29/40/68/1388294068.db2.gz LSBVJEAKYCPCFZ-UHFFFAOYSA-N 2 1 333.476 3.271 20 10 EGCDMP COCC[N@H+](Cc1cc(C)n(-c2ccccc2)c1C)C1CC[NH2+]CC1 ZINC001235945086 1376922829 /nfs/dbraw/zinc/92/28/29/1376922829.db2.gz AOCYDMUUDWXXOK-UHFFFAOYSA-N 2 1 341.499 3.295 20 10 EGCDMP COCC[N@@H+](Cc1cc(C)n(-c2ccccc2)c1C)C1CC[NH2+]CC1 ZINC001235945086 1376922834 /nfs/dbraw/zinc/92/28/34/1376922834.db2.gz AOCYDMUUDWXXOK-UHFFFAOYSA-N 2 1 341.499 3.295 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCn4cccc4[C@H]3C)cc2)CC1 ZINC001140305659 1378043009 /nfs/dbraw/zinc/04/30/09/1378043009.db2.gz FCUQBZHPCRSGGI-GOSISDBHSA-N 2 1 338.499 3.207 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCn4cccc4[C@H]3C)cc2)CC1 ZINC001140305659 1378043012 /nfs/dbraw/zinc/04/30/12/1378043012.db2.gz FCUQBZHPCRSGGI-GOSISDBHSA-N 2 1 338.499 3.207 20 10 EGCDMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c(O)c1 ZINC001140952096 1378190097 /nfs/dbraw/zinc/19/00/97/1378190097.db2.gz DYYWYAANAVUSSH-IAGOWNOFSA-N 2 1 328.481 3.326 20 10 EGCDMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H](C)C1 ZINC001318565816 1385759487 /nfs/dbraw/zinc/75/94/87/1385759487.db2.gz CSTFTKNXONHMDV-MDZRGWNJSA-N 2 1 333.495 3.492 20 10 EGCDMP C[C@H](c1ccco1)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319691194 1386254011 /nfs/dbraw/zinc/25/40/11/1386254011.db2.gz MAQXCFJFHCTPAQ-OAHLLOKOSA-N 2 1 331.435 3.364 20 10 EGCDMP C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319691194 1386254013 /nfs/dbraw/zinc/25/40/13/1386254013.db2.gz MAQXCFJFHCTPAQ-OAHLLOKOSA-N 2 1 331.435 3.364 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)cc2F)CC1 ZINC001337380915 1389325708 /nfs/dbraw/zinc/32/57/08/1389325708.db2.gz LOOPTLGXNSASDI-GOSISDBHSA-N 2 1 349.494 3.013 20 10 EGCDMP Cc1cc(C)cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001333309660 1390281488 /nfs/dbraw/zinc/28/14/88/1390281488.db2.gz BTPXQMWZSYYYDT-UHFFFAOYSA-N 2 1 341.474 3.484 20 10 EGCDMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC001348447485 1391221016 /nfs/dbraw/zinc/22/10/16/1391221016.db2.gz QDKJGHKUUJZJRM-NVXWUHKLSA-N 2 1 341.421 3.246 20 10 EGCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC001348447485 1391221019 /nfs/dbraw/zinc/22/10/19/1391221019.db2.gz QDKJGHKUUJZJRM-NVXWUHKLSA-N 2 1 341.421 3.246 20 10 EGCDMP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)cc1O ZINC000185054946 455493112 /nfs/dbraw/zinc/49/31/12/455493112.db2.gz OJVDHAGPDDTMRF-AWEZNQCLSA-N 2 1 332.419 3.323 20 10 EGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000178695041 454967835 /nfs/dbraw/zinc/96/78/35/454967835.db2.gz UXXGUXMMISWFRY-IRXDYDNUSA-N 2 1 342.487 3.015 20 10 EGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000178695055 454968425 /nfs/dbraw/zinc/96/84/25/454968425.db2.gz UXXGUXMMISWFRY-SJORKVTESA-N 2 1 342.487 3.015 20 10 EGCDMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccccc1O ZINC000183446109 455293529 /nfs/dbraw/zinc/29/35/29/455293529.db2.gz KKEFWDBLNSKLFN-SJORKVTESA-N 2 1 340.467 3.464 20 10 EGCDMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccccc1O ZINC000183446109 455293533 /nfs/dbraw/zinc/29/35/33/455293533.db2.gz KKEFWDBLNSKLFN-SJORKVTESA-N 2 1 340.467 3.464 20 10 EGCDMP CN(C)c1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(C(F)(F)F)c1 ZINC000280111911 455894965 /nfs/dbraw/zinc/89/49/65/455894965.db2.gz CAFGBIBYQCGPDS-UHFFFAOYSA-N 2 1 327.394 3.123 20 10 EGCDMP COc1cccc(C[N@@H+](Cc2ccco2)C2CCN(C)CC2)c1O ZINC000290334024 456295217 /nfs/dbraw/zinc/29/52/17/456295217.db2.gz DXPBKCATBGAJMM-UHFFFAOYSA-N 2 1 330.428 3.090 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000843113546 1321472372 /nfs/dbraw/zinc/47/23/72/1321472372.db2.gz WOJMHWJVIMPJOX-LBPRGKRZSA-N 2 1 327.266 3.024 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)c2c1 ZINC000129305248 1293620751 /nfs/dbraw/zinc/62/07/51/1293620751.db2.gz YBAHTQMKKLPASR-UZLBHIALSA-N 2 1 340.467 3.470 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c2c1 ZINC000129305248 1293620757 /nfs/dbraw/zinc/62/07/57/1293620757.db2.gz YBAHTQMKKLPASR-UZLBHIALSA-N 2 1 340.467 3.470 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c2c1 ZINC000129305248 1293620760 /nfs/dbraw/zinc/62/07/60/1293620760.db2.gz YBAHTQMKKLPASR-UZLBHIALSA-N 2 1 340.467 3.470 20 10 EGCDMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(O)c(C(C)(C)C)c1 ZINC000164294929 1294346777 /nfs/dbraw/zinc/34/67/77/1294346777.db2.gz QUDCAKMKIFWFKR-UHFFFAOYSA-N 2 1 334.504 3.472 20 10 EGCDMP COc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1O ZINC000708548863 1298242632 /nfs/dbraw/zinc/24/26/32/1298242632.db2.gz BUKWYEBFERMKPH-LPHOPBHVSA-N 2 1 340.467 3.259 20 10 EGCDMP C[C@@H](C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nccs1 ZINC000753595667 1299986190 /nfs/dbraw/zinc/98/61/90/1299986190.db2.gz QQJSSEMGOMHFJH-INIZCTEOSA-N 2 1 344.528 3.130 20 10 EGCDMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000762555409 1301701574 /nfs/dbraw/zinc/70/15/74/1301701574.db2.gz IUILUHSYYARENK-OAQYLSRUSA-N 2 1 348.531 3.143 20 10 EGCDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000762555409 1301701583 /nfs/dbraw/zinc/70/15/83/1301701583.db2.gz IUILUHSYYARENK-OAQYLSRUSA-N 2 1 348.531 3.143 20 10 EGCDMP C[N@@H+](CCc1ccccc1F)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775663320 1304009497 /nfs/dbraw/zinc/00/94/97/1304009497.db2.gz MACIKMMFMWMXDM-UHFFFAOYSA-N 2 1 341.474 3.252 20 10 EGCDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000776170192 1304106160 /nfs/dbraw/zinc/10/61/60/1304106160.db2.gz ZWBFNDFWKSYORM-HNNXBMFYSA-N 2 1 349.906 3.089 20 10 EGCDMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(O)c1OC ZINC000893488834 1305922253 /nfs/dbraw/zinc/92/22/53/1305922253.db2.gz UGWQMVVMFVBHFT-HOCLYGCPSA-N 2 1 348.487 3.152 20 10 EGCDMP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000796727895 1310074138 /nfs/dbraw/zinc/07/41/38/1310074138.db2.gz JGVJTOMIKKRSCZ-RVKKMQEKSA-N 2 1 338.467 3.461 20 10 EGCDMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000796727895 1310074146 /nfs/dbraw/zinc/07/41/46/1310074146.db2.gz JGVJTOMIKKRSCZ-RVKKMQEKSA-N 2 1 338.467 3.461 20 10 EGCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1O ZINC000808693047 1317717144 /nfs/dbraw/zinc/71/71/44/1317717144.db2.gz UUKKULPSZYOGKQ-OAHLLOKOSA-N 2 1 339.911 3.032 20 10 EGCDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccccc1O ZINC000840964420 1321189173 /nfs/dbraw/zinc/18/91/73/1321189173.db2.gz SFNVXWPFVAZGEP-TZIWHRDSSA-N 2 1 340.467 3.019 20 10 EGCDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccccc1O ZINC000840964420 1321189177 /nfs/dbraw/zinc/18/91/77/1321189177.db2.gz SFNVXWPFVAZGEP-TZIWHRDSSA-N 2 1 340.467 3.019 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000843113546 1321472366 /nfs/dbraw/zinc/47/23/66/1321472366.db2.gz WOJMHWJVIMPJOX-LBPRGKRZSA-N 2 1 327.266 3.024 20 10 EGCDMP COc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c(O)c1 ZINC001203622324 1370190160 /nfs/dbraw/zinc/19/01/60/1370190160.db2.gz YCOGZMLPXSZMOJ-HZPDHXFCSA-N 2 1 344.480 3.026 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CCC[C@H]1C[NH3+] ZINC001206026273 1370942135 /nfs/dbraw/zinc/94/21/35/1370942135.db2.gz RGEJXZCBXNPROD-NEPJUHHUSA-N 2 1 332.366 3.098 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206025814 1370942373 /nfs/dbraw/zinc/94/23/73/1370942373.db2.gz PJOMKXCHGXGBET-OLZOCXBDSA-N 2 1 341.293 3.270 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206025814 1370942376 /nfs/dbraw/zinc/94/23/76/1370942376.db2.gz PJOMKXCHGXGBET-OLZOCXBDSA-N 2 1 341.293 3.270 20 10 EGCDMP CCCCN(CCCC)c1ccc(C[NH+]2CC(C[NH2+]C)C2)c(O)c1 ZINC001210561172 1372378997 /nfs/dbraw/zinc/37/89/97/1372378997.db2.gz HVPHFCIDLVUONC-UHFFFAOYSA-N 2 1 333.520 3.450 20 10 EGCDMP COc1cc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc(C[NH+](C)C)c1O ZINC001139252938 1377857854 /nfs/dbraw/zinc/85/78/54/1377857854.db2.gz GHVXSSQIVRVODI-GOSISDBHSA-N 2 1 341.455 3.195 20 10 EGCDMP COC(=O)CCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001173445898 1384971567 /nfs/dbraw/zinc/97/15/67/1384971567.db2.gz PBUUYQVDJDAEEK-MRXNPFEDSA-N 2 1 348.487 3.068 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH2+]C3(c4ccccc4)CC3)cc2F)CC1 ZINC001322650937 1387219787 /nfs/dbraw/zinc/21/97/87/1387219787.db2.gz VERAGHLCNAFYQA-UHFFFAOYSA-N 2 1 339.458 3.356 20 10 EGCDMP c1cc(N2CCCC2)ccc1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001350337805 1391449721 /nfs/dbraw/zinc/44/97/21/1391449721.db2.gz GEUUJQGXWLCMCF-UHFFFAOYSA-N 2 1 343.515 3.020 20 10 EGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)cc1 ZINC000154465677 454900101 /nfs/dbraw/zinc/90/01/01/454900101.db2.gz SUXRHJHIAQCOBY-LJQANCHMSA-N 2 1 346.563 3.211 20 10 EGCDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccccc3O)CC2)C[C@H](C)O1 ZINC000179584074 455060839 /nfs/dbraw/zinc/06/08/39/455060839.db2.gz QGGRMNCBLGIOIK-CALCHBBNSA-N 2 1 332.488 3.104 20 10 EGCDMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(O)c1 ZINC000184894395 455468512 /nfs/dbraw/zinc/46/85/12/455468512.db2.gz CJJBPEILFHVKPY-KRWDZBQOSA-N 2 1 340.467 3.384 20 10 EGCDMP COc1ccc(N2CCC([NH2+][C@H](C)C[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000151961447 1293946658 /nfs/dbraw/zinc/94/66/58/1293946658.db2.gz VMTUFVLCZNACJW-QZTJIDSGSA-N 2 1 345.531 3.374 20 10 EGCDMP COc1ccc(N2CCC([NH2+][C@H](C)C[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000151961447 1293946661 /nfs/dbraw/zinc/94/66/61/1293946661.db2.gz VMTUFVLCZNACJW-QZTJIDSGSA-N 2 1 345.531 3.374 20 10 EGCDMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)cc(C)c1O ZINC000230744777 1296165936 /nfs/dbraw/zinc/16/59/36/1296165936.db2.gz JKVXSVWKXVCFRZ-UHFFFAOYSA-N 2 1 329.282 3.237 20 10 EGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000765977004 1302361731 /nfs/dbraw/zinc/36/17/31/1302361731.db2.gz PFQORJPRKYSURW-DYESRHJHSA-N 2 1 345.531 3.437 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000781915008 1304890896 /nfs/dbraw/zinc/89/08/96/1304890896.db2.gz WIFRMHQXLJXHFY-UHFFFAOYSA-N 2 1 341.293 3.237 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000781915008 1304890901 /nfs/dbraw/zinc/89/09/01/1304890901.db2.gz WIFRMHQXLJXHFY-UHFFFAOYSA-N 2 1 341.293 3.237 20 10 EGCDMP CN(Cc1cccs1)c1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000857783172 1328596838 /nfs/dbraw/zinc/59/68/38/1328596838.db2.gz XIHLGEDVCYACKJ-UHFFFAOYSA-N 2 1 340.496 3.450 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1Cl ZINC000824938178 1320297520 /nfs/dbraw/zinc/29/75/20/1320297520.db2.gz GSERLZCQAJWPSY-QGPMSJSTSA-N 2 1 338.879 3.038 20 10 EGCDMP Cc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1Cl ZINC000824938178 1320297526 /nfs/dbraw/zinc/29/75/26/1320297526.db2.gz GSERLZCQAJWPSY-QGPMSJSTSA-N 2 1 338.879 3.038 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](C4CC4)[C@H]3C3CC3)cc2)CC1 ZINC000824942018 1320298877 /nfs/dbraw/zinc/29/88/77/1320298877.db2.gz UONYBXZLVZJFHY-LEWJYISDSA-N 2 1 325.500 3.059 20 10 EGCDMP Oc1c(F)cccc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000841074240 1321214125 /nfs/dbraw/zinc/21/41/25/1321214125.db2.gz VBPPJFSVYNNIPI-DOTOQJQBSA-N 2 1 332.394 3.153 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+][C@H](C[NH3+])C2CCCC2)c1O ZINC000841087798 1321216848 /nfs/dbraw/zinc/21/68/48/1321216848.db2.gz PXRXSQXZHHJWKZ-CQSZACIVSA-N 2 1 327.266 3.070 20 10 EGCDMP CC[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)CC[C@@H]1[NH3+] ZINC000843052338 1321461847 /nfs/dbraw/zinc/46/18/47/1321461847.db2.gz OWDNYFHGWXLLFW-RISCZKNCSA-N 2 1 327.266 3.022 20 10 EGCDMP CC[C@@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)CC[C@@H]1[NH3+] ZINC000843052338 1321461851 /nfs/dbraw/zinc/46/18/51/1321461851.db2.gz OWDNYFHGWXLLFW-RISCZKNCSA-N 2 1 327.266 3.022 20 10 EGCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000843052964 1321462045 /nfs/dbraw/zinc/46/20/45/1321462045.db2.gz QOSQJCPABLDDBL-QGZVFWFLSA-N 2 1 326.440 3.013 20 10 EGCDMP CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000843051349 1321462411 /nfs/dbraw/zinc/46/24/11/1321462411.db2.gz WXBRFPSZADHZOR-MLGOLLRUSA-N 2 1 329.410 3.331 20 10 EGCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000843051349 1321462414 /nfs/dbraw/zinc/46/24/14/1321462414.db2.gz WXBRFPSZADHZOR-MLGOLLRUSA-N 2 1 329.410 3.331 20 10 EGCDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000843058502 1321464161 /nfs/dbraw/zinc/46/41/61/1321464161.db2.gz UTFXACYBQLUSQU-RDJZCZTQSA-N 2 1 326.440 3.140 20 10 EGCDMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850029409 1322185724 /nfs/dbraw/zinc/18/57/24/1322185724.db2.gz IGKWIRBHUMCCMC-AWEZNQCLSA-N 2 1 332.488 3.272 20 10 EGCDMP Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1N(C)C ZINC000923402108 1322745704 /nfs/dbraw/zinc/74/57/04/1322745704.db2.gz TZYFMFKAJQWFMW-GJZGRUSLSA-N 2 1 329.410 3.020 20 10 EGCDMP Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1N(C)C ZINC000923402108 1322745707 /nfs/dbraw/zinc/74/57/07/1322745707.db2.gz TZYFMFKAJQWFMW-GJZGRUSLSA-N 2 1 329.410 3.020 20 10 EGCDMP CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001324904996 1387814900 /nfs/dbraw/zinc/81/49/00/1387814900.db2.gz QRZXDQKGONCRRW-RBUKOAKNSA-N 2 1 333.545 3.154 20 10 EGCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001205570926 1370795730 /nfs/dbraw/zinc/79/57/30/1370795730.db2.gz PVUIIYIKGLGFJC-FQEVSTJZSA-N 2 1 331.479 3.038 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1O ZINC001206563258 1371094333 /nfs/dbraw/zinc/09/43/33/1371094333.db2.gz AKLCAXNFOFMKJM-INIZCTEOSA-N 2 1 341.293 3.414 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1Br ZINC001206574629 1371097462 /nfs/dbraw/zinc/09/74/62/1371097462.db2.gz SPSQTZFQXOWNEI-MRXNPFEDSA-N 2 1 341.293 3.414 20 10 EGCDMP COc1ccc(N2CC[NH+](CC3(C[NH+](C)C)CCCC3)CC2)c(C)c1 ZINC001208187453 1371627077 /nfs/dbraw/zinc/62/70/77/1371627077.db2.gz LFGRJXXWWHDMCS-UHFFFAOYSA-N 2 1 345.531 3.248 20 10 EGCDMP Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235943891 1376920109 /nfs/dbraw/zinc/92/01/09/1376920109.db2.gz ZSIFTAQBXFRTFP-AEFFLSMTSA-N 2 1 326.415 3.240 20 10 EGCDMP Oc1ccc(F)cc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001140054960 1377997204 /nfs/dbraw/zinc/99/72/04/1377997204.db2.gz BMKVWFVWZPDZSU-QZTJIDSGSA-N 2 1 326.415 3.095 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)Cc3cccnc3C)cc2)CC1 ZINC001140309624 1378044343 /nfs/dbraw/zinc/04/43/43/1378044343.db2.gz ODXDRYHNTMKUKN-UHFFFAOYSA-N 2 1 338.499 3.164 20 10 EGCDMP c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001327804423 1388598184 /nfs/dbraw/zinc/59/81/84/1388598184.db2.gz SSGHWAOVFNKLLA-HXUWFJFHSA-N 2 1 327.516 3.498 20 10 EGCDMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Br)ccc1O ZINC000181011534 455275684 /nfs/dbraw/zinc/27/56/84/455275684.db2.gz HQFCAKJBSMNJOG-NWDGAFQWSA-N 2 1 339.277 3.290 20 10 EGCDMP CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCCn2ccnc2C)c1[O-] ZINC000130692233 454213376 /nfs/dbraw/zinc/21/33/76/454213376.db2.gz AZCMBYVRKNTLCB-UHFFFAOYSA-N 2 1 335.835 3.275 20 10 EGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000184894114 455468456 /nfs/dbraw/zinc/46/84/56/455468456.db2.gz QMCOWNOMFQDOAG-QGZVFWFLSA-N 2 1 340.467 3.384 20 10 EGCDMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000374879229 457725490 /nfs/dbraw/zinc/72/54/90/457725490.db2.gz SGBBPYLXHYKQRU-QFBILLFUSA-N 2 1 340.467 3.401 20 10 EGCDMP Cc1cc(O)c(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1C(C)C ZINC000738214206 576300674 /nfs/dbraw/zinc/30/06/74/576300674.db2.gz OVACBCXBKYBZFR-LJQANCHMSA-N 2 1 345.531 3.036 20 10 EGCDMP COc1ccc(N2CCC([NH2+]C[C@@H](C(C)C)[NH+]3CCCC3)CC2)cc1 ZINC000132992263 1293734195 /nfs/dbraw/zinc/73/41/95/1293734195.db2.gz WQWOFSWJIMIAQB-NRFANRHFSA-N 2 1 345.531 3.374 20 10 EGCDMP COc1ccc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000775642240 1304000263 /nfs/dbraw/zinc/00/02/63/1304000263.db2.gz CTBIBTRZOQPITB-UHFFFAOYSA-N 2 1 339.483 3.079 20 10 EGCDMP CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1(C)C ZINC000775735490 1304023931 /nfs/dbraw/zinc/02/39/31/1304023931.db2.gz PONGRZLZUCRRIH-TZIWHRDSSA-N 2 1 345.531 3.074 20 10 EGCDMP COc1cc(C)cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1O ZINC000894433826 1308880752 /nfs/dbraw/zinc/88/07/52/1308880752.db2.gz DKBBFRKPYHRCOK-CVEARBPZSA-N 2 1 332.488 3.452 20 10 EGCDMP COc1cccc(O)c1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798498468 1310373612 /nfs/dbraw/zinc/37/36/12/1310373612.db2.gz CDQFHTBLEVKESX-NRFANRHFSA-N 2 1 340.467 3.403 20 10 EGCDMP C[N@@H+](CCCC[NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000858175826 1328703534 /nfs/dbraw/zinc/70/35/34/1328703534.db2.gz XRXXKOIUTYLHDG-UHFFFAOYSA-N 2 1 327.266 3.119 20 10 EGCDMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cc(Br)ccc1O ZINC000842473127 1321393612 /nfs/dbraw/zinc/39/36/12/1321393612.db2.gz QFSYSSPTKPKWGT-CYBMUJFWSA-N 2 1 341.293 3.366 20 10 EGCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001203930742 1370319029 /nfs/dbraw/zinc/31/90/29/1370319029.db2.gz HARFCTVLIOZVFA-QZTJIDSGSA-N 2 1 341.524 3.378 20 10 EGCDMP C[C@@]1([NH3+])CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001204791755 1370576961 /nfs/dbraw/zinc/57/69/61/1370576961.db2.gz SCIJTTPBYPXZIS-MRXNPFEDSA-N 2 1 335.245 3.231 20 10 EGCDMP C[C@@]1([NH3+])CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001204791755 1370576956 /nfs/dbraw/zinc/57/69/56/1370576956.db2.gz SCIJTTPBYPXZIS-MRXNPFEDSA-N 2 1 335.245 3.231 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205288130 1370708072 /nfs/dbraw/zinc/70/80/72/1370708072.db2.gz GPHJDLVJJXFHOJ-HNNXBMFYSA-N 2 1 327.266 3.166 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205288130 1370708077 /nfs/dbraw/zinc/70/80/77/1370708077.db2.gz GPHJDLVJJXFHOJ-HNNXBMFYSA-N 2 1 327.266 3.166 20 10 EGCDMP [NH3+][C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[C@H]1F ZINC001206197900 1370989953 /nfs/dbraw/zinc/98/99/53/1370989953.db2.gz KGGCLNQDTXBBJC-MSOLQXFVSA-N 2 1 332.394 3.460 20 10 EGCDMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001206317799 1371020101 /nfs/dbraw/zinc/02/01/01/1371020101.db2.gz ISIQUCMWMSMBPT-HNNXBMFYSA-N 2 1 345.256 3.245 20 10 EGCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001206317799 1371020103 /nfs/dbraw/zinc/02/01/03/1371020103.db2.gz ISIQUCMWMSMBPT-HNNXBMFYSA-N 2 1 345.256 3.245 20 10 EGCDMP Cc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(O)cc1Br ZINC001206649061 1371119067 /nfs/dbraw/zinc/11/90/67/1371119067.db2.gz PGQDFCIVFWLYOJ-GFCCVEGCSA-N 2 1 327.266 3.024 20 10 EGCDMP Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235032897 1376831889 /nfs/dbraw/zinc/83/18/89/1376831889.db2.gz MODWDSNTUYNDAX-HXUWFJFHSA-N 2 1 326.415 3.384 20 10 EGCDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138497631 1377733746 /nfs/dbraw/zinc/73/37/46/1377733746.db2.gz LOWTYKJUTNRWEW-UHFFFAOYSA-N 2 1 345.531 3.075 20 10 EGCDMP Cc1ccc2c(c1)CC[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001139411590 1377880445 /nfs/dbraw/zinc/88/04/45/1377880445.db2.gz URLQQHKKTRDZQN-UHFFFAOYSA-N 2 1 335.495 3.305 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(F)[C@H](F)C3)cc2)CC1 ZINC001140302658 1378042764 /nfs/dbraw/zinc/04/27/64/1378042764.db2.gz WZBKEOUNNKQABZ-RTBURBONSA-N 2 1 337.458 3.101 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(F)[C@H](F)C3)cc2)CC1 ZINC001140302658 1378042765 /nfs/dbraw/zinc/04/27/65/1378042765.db2.gz WZBKEOUNNKQABZ-RTBURBONSA-N 2 1 337.458 3.101 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3CCOC)cc2)CC1 ZINC001140304105 1378043101 /nfs/dbraw/zinc/04/31/01/1378043101.db2.gz IIXMSDWHUNVUOD-HXUWFJFHSA-N 2 1 345.531 3.220 20 10 EGCDMP CCN(CC)c1ccc(CN2CC3(C2)CC[N@@H+](CC2CC2)C3)c(O)c1 ZINC001140853459 1378158379 /nfs/dbraw/zinc/15/83/79/1378158379.db2.gz YMFDHGVRDODXCN-UHFFFAOYSA-N 2 1 343.515 3.156 20 10 EGCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N(CC)CC)cc3O)C[C@@H]2C1 ZINC001140857599 1378159178 /nfs/dbraw/zinc/15/91/78/1378159178.db2.gz SPKPGEFNWBZXFC-HDICACEKSA-N 2 1 331.504 3.012 20 10 EGCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N(CC)CC)cc3O)C[C@@H]2C1 ZINC001140857599 1378159185 /nfs/dbraw/zinc/15/91/85/1378159185.db2.gz SPKPGEFNWBZXFC-HDICACEKSA-N 2 1 331.504 3.012 20 10 EGCDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3c(c1O)C=CC(C)(C)O3)C2 ZINC001277423928 1378222766 /nfs/dbraw/zinc/22/27/66/1378222766.db2.gz WJKFQYZVFACXQB-NRFANRHFSA-N 2 1 342.483 3.494 20 10 EGCDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc3c(c1O)C=CC(C)(C)O3)C2 ZINC001277423928 1378222768 /nfs/dbraw/zinc/22/27/68/1378222768.db2.gz WJKFQYZVFACXQB-NRFANRHFSA-N 2 1 342.483 3.494 20 10 EGCDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc3c(c1O)C=CC(C)(C)O3)C2 ZINC001277423928 1378222771 /nfs/dbraw/zinc/22/27/71/1378222771.db2.gz WJKFQYZVFACXQB-NRFANRHFSA-N 2 1 342.483 3.494 20 10 EGCDMP CC(C)COCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001172463520 1384797966 /nfs/dbraw/zinc/79/79/66/1384797966.db2.gz OZSFTPPAQBBCLN-KRWDZBQOSA-N 2 1 334.504 3.397 20 10 EGCDMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H](C)C1 ZINC001318565813 1385759581 /nfs/dbraw/zinc/75/95/81/1385759581.db2.gz CSTFTKNXONHMDV-GJYPPUQNSA-N 2 1 333.495 3.492 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C3CCC3)cc2F)CC1 ZINC001319814704 1386311762 /nfs/dbraw/zinc/31/17/62/1386311762.db2.gz IQRFZZGYWUMSRT-IBGZPJMESA-N 2 1 331.479 3.342 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3C3CCC3)cc2F)CC1 ZINC001319814704 1386311767 /nfs/dbraw/zinc/31/17/67/1386311767.db2.gz IQRFZZGYWUMSRT-IBGZPJMESA-N 2 1 331.479 3.342 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC(F)(F)CC3)cc2F)CC1 ZINC001351629318 1391660364 /nfs/dbraw/zinc/66/03/64/1391660364.db2.gz WRWDBIYRWCLTTB-UHFFFAOYSA-N 2 1 341.421 3.199 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC(F)(F)CC3)cc2F)CC1 ZINC001351629318 1391660368 /nfs/dbraw/zinc/66/03/68/1391660368.db2.gz WRWDBIYRWCLTTB-UHFFFAOYSA-N 2 1 341.421 3.199 20 10 EGCDMP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000129374155 455108755 /nfs/dbraw/zinc/10/87/55/455108755.db2.gz NYGVZZAQFFFWRG-SJCJKPOMSA-N 2 1 331.391 3.014 20 10 EGCDMP CCCOc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000290590798 456375740 /nfs/dbraw/zinc/37/57/40/456375740.db2.gz VFJCLHXBKPVBDY-KRWDZBQOSA-N 2 1 332.488 3.345 20 10 EGCDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000731041571 575045971 /nfs/dbraw/zinc/04/59/71/575045971.db2.gz HFQZEWYRDVUDJN-QGZVFWFLSA-N 2 1 346.475 3.017 20 10 EGCDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000731041571 575045973 /nfs/dbraw/zinc/04/59/73/575045973.db2.gz HFQZEWYRDVUDJN-QGZVFWFLSA-N 2 1 346.475 3.017 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000841029423 1321203761 /nfs/dbraw/zinc/20/37/61/1321203761.db2.gz GYPXBYVJKAICSE-FZMZJTMJSA-N 2 1 327.266 3.070 20 10 EGCDMP COc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1O ZINC000092588000 1292877368 /nfs/dbraw/zinc/87/73/68/1292877368.db2.gz YTWWRUWCNVDKBN-DLBZAZTESA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1O ZINC000092588000 1292877382 /nfs/dbraw/zinc/87/73/82/1292877382.db2.gz YTWWRUWCNVDKBN-DLBZAZTESA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1O ZINC000092588000 1292877395 /nfs/dbraw/zinc/87/73/95/1292877395.db2.gz YTWWRUWCNVDKBN-DLBZAZTESA-N 2 1 332.488 3.487 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)c2c1 ZINC000247099002 1296383312 /nfs/dbraw/zinc/38/33/12/1296383312.db2.gz YBAHTQMKKLPASR-JXFKEZNVSA-N 2 1 340.467 3.470 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@@H]43)c2c1 ZINC000247099002 1296383323 /nfs/dbraw/zinc/38/33/23/1296383323.db2.gz YBAHTQMKKLPASR-JXFKEZNVSA-N 2 1 340.467 3.470 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)c2c1 ZINC000247099002 1296383335 /nfs/dbraw/zinc/38/33/35/1296383335.db2.gz YBAHTQMKKLPASR-JXFKEZNVSA-N 2 1 340.467 3.470 20 10 EGCDMP C[N@H+]1CCC[C@@H]2CN(Cc3c(O)cccc3Br)CC[C@H]21 ZINC000707145831 1298226555 /nfs/dbraw/zinc/22/65/55/1298226555.db2.gz IBWMIELMARJPMP-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(O)cccc3Br)CC[C@H]21 ZINC000707145831 1298226566 /nfs/dbraw/zinc/22/65/66/1298226566.db2.gz IBWMIELMARJPMP-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(O)cccc3Br)CC[C@H]21 ZINC000707145831 1298226575 /nfs/dbraw/zinc/22/65/75/1298226575.db2.gz IBWMIELMARJPMP-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(O)cccc3Br)CC[C@H]21 ZINC000707145831 1298226581 /nfs/dbraw/zinc/22/65/81/1298226581.db2.gz IBWMIELMARJPMP-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(O)cccc3Br)CC[C@H]21 ZINC000707145831 1298226588 /nfs/dbraw/zinc/22/65/88/1298226588.db2.gz IBWMIELMARJPMP-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4scnc43)cc2)CC1 ZINC000883290763 1302368963 /nfs/dbraw/zinc/36/89/63/1302368963.db2.gz GCXRUWGXKOOBSE-QGZVFWFLSA-N 2 1 342.512 3.062 20 10 EGCDMP COc1cccc(O)c1CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000769148799 1303056059 /nfs/dbraw/zinc/05/60/59/1303056059.db2.gz SDWYVDUNGLGJSR-DLBZAZTESA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000769148799 1303056063 /nfs/dbraw/zinc/05/60/63/1303056063.db2.gz SDWYVDUNGLGJSR-DLBZAZTESA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(O)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000769148799 1303056068 /nfs/dbraw/zinc/05/60/68/1303056068.db2.gz SDWYVDUNGLGJSR-DLBZAZTESA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(O)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000769148799 1303056074 /nfs/dbraw/zinc/05/60/74/1303056074.db2.gz SDWYVDUNGLGJSR-DLBZAZTESA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(O)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000769148799 1303056076 /nfs/dbraw/zinc/05/60/76/1303056076.db2.gz SDWYVDUNGLGJSR-DLBZAZTESA-N 2 1 332.488 3.487 20 10 EGCDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000772998441 1303603810 /nfs/dbraw/zinc/60/38/10/1303603810.db2.gz KNSNYHAVQIQZLI-UYAOXDASSA-N 2 1 347.547 3.288 20 10 EGCDMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000775258296 1303930937 /nfs/dbraw/zinc/93/09/37/1303930937.db2.gz WNFHNMGTSULNJQ-MJGOQNOKSA-N 2 1 331.504 3.048 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)c2c1 ZINC000793742595 1309434991 /nfs/dbraw/zinc/43/49/91/1309434991.db2.gz GXFUKLAMAOWZKL-HXUWFJFHSA-N 2 1 326.440 3.082 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)c2c1 ZINC000793742595 1309434996 /nfs/dbraw/zinc/43/49/96/1309434996.db2.gz GXFUKLAMAOWZKL-HXUWFJFHSA-N 2 1 326.440 3.082 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC000793742595 1309435000 /nfs/dbraw/zinc/43/50/00/1309435000.db2.gz GXFUKLAMAOWZKL-HXUWFJFHSA-N 2 1 326.440 3.082 20 10 EGCDMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000858127444 1328689492 /nfs/dbraw/zinc/68/94/92/1328689492.db2.gz FMVIRXWMEQYBOF-CYBMUJFWSA-N 2 1 341.293 3.365 20 10 EGCDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000858127444 1328689496 /nfs/dbraw/zinc/68/94/96/1328689496.db2.gz FMVIRXWMEQYBOF-CYBMUJFWSA-N 2 1 341.293 3.365 20 10 EGCDMP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000810251897 1317986821 /nfs/dbraw/zinc/98/68/21/1317986821.db2.gz BGIGBBJNSDROMZ-OAHLLOKOSA-N 2 1 326.481 3.399 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](C4CC4)[C@H]3C3CC3)cc2)CC1 ZINC000824942022 1320298781 /nfs/dbraw/zinc/29/87/81/1320298781.db2.gz UONYBXZLVZJFHY-NHCUHLMSSA-N 2 1 325.500 3.059 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](C4CC4)[C@@H]3C3CC3)cc2)CC1 ZINC000824942024 1320299059 /nfs/dbraw/zinc/29/90/59/1320299059.db2.gz UONYBXZLVZJFHY-RTWAWAEBSA-N 2 1 325.500 3.059 20 10 EGCDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2c(O)cccc2Br)C1 ZINC000862368104 1329478616 /nfs/dbraw/zinc/47/86/16/1329478616.db2.gz COQIQVJNDRDDQA-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2c(O)cccc2Br)C1 ZINC000862368104 1329478617 /nfs/dbraw/zinc/47/86/17/1329478617.db2.gz COQIQVJNDRDDQA-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2c(O)cccc2Br)C1 ZINC000862368104 1329478619 /nfs/dbraw/zinc/47/86/19/1329478619.db2.gz COQIQVJNDRDDQA-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP Oc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1O ZINC001203877910 1370297571 /nfs/dbraw/zinc/29/75/71/1370297571.db2.gz ZIYUKPJPWRCUAE-UHFFFAOYSA-N 2 1 342.439 3.179 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)C[C@H]1C[NH3+] ZINC001205317972 1370720348 /nfs/dbraw/zinc/72/03/48/1370720348.db2.gz RBYQLIRXGHIQQA-VQIMIIECSA-N 2 1 340.467 3.388 20 10 EGCDMP C[C@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)CC[C@H]1C[NH3+] ZINC001205627742 1370817629 /nfs/dbraw/zinc/81/76/29/1370817629.db2.gz SDQGCTHJXZNAII-QWRGUYRKSA-N 2 1 345.256 3.101 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)CC[C@H]1C[NH3+] ZINC001205627742 1370817634 /nfs/dbraw/zinc/81/76/34/1370817634.db2.gz SDQGCTHJXZNAII-QWRGUYRKSA-N 2 1 345.256 3.101 20 10 EGCDMP C[C@H]1C[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCC[C@H]1C[NH3+] ZINC001206034784 1370944769 /nfs/dbraw/zinc/94/47/69/1370944769.db2.gz AAUCQCBDKQJQCI-GJZGRUSLSA-N 2 1 330.472 3.383 20 10 EGCDMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001206351839 1371029222 /nfs/dbraw/zinc/02/92/22/1371029222.db2.gz JSCNCDRLXUMXQU-HXUWFJFHSA-N 2 1 331.479 3.038 20 10 EGCDMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001206351839 1371029226 /nfs/dbraw/zinc/02/92/26/1371029226.db2.gz JSCNCDRLXUMXQU-HXUWFJFHSA-N 2 1 331.479 3.038 20 10 EGCDMP COc1cc(O)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC001206598190 1371105589 /nfs/dbraw/zinc/10/55/89/1371105589.db2.gz ILFLHDGSHYWQQP-CYBMUJFWSA-N 2 1 326.868 3.407 20 10 EGCDMP COc1cc(O)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC001206598190 1371105592 /nfs/dbraw/zinc/10/55/92/1371105592.db2.gz ILFLHDGSHYWQQP-CYBMUJFWSA-N 2 1 326.868 3.407 20 10 EGCDMP Cc1cccc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c1O ZINC001231593685 1376274277 /nfs/dbraw/zinc/27/42/77/1376274277.db2.gz YPCMOQFFFUCNFG-QUCCMNQESA-N 2 1 337.467 3.050 20 10 EGCDMP Cc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1O ZINC001231593685 1376274283 /nfs/dbraw/zinc/27/42/83/1376274283.db2.gz YPCMOQFFFUCNFG-QUCCMNQESA-N 2 1 337.467 3.050 20 10 EGCDMP Cc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1O ZINC001231593685 1376274287 /nfs/dbraw/zinc/27/42/87/1376274287.db2.gz YPCMOQFFFUCNFG-QUCCMNQESA-N 2 1 337.467 3.050 20 10 EGCDMP Cc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1O ZINC001231593685 1376274291 /nfs/dbraw/zinc/27/42/91/1376274291.db2.gz YPCMOQFFFUCNFG-QUCCMNQESA-N 2 1 337.467 3.050 20 10 EGCDMP Cc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1O ZINC001231593685 1376274295 /nfs/dbraw/zinc/27/42/95/1376274295.db2.gz YPCMOQFFFUCNFG-QUCCMNQESA-N 2 1 337.467 3.050 20 10 EGCDMP COc1cc(C[N@@H+](C)Cc2ccc(F)cc2)cc(C[NH+](C)C)c1O ZINC001139252989 1377858595 /nfs/dbraw/zinc/85/85/95/1377858595.db2.gz HTYAQKYEMODYOU-UHFFFAOYSA-N 2 1 332.419 3.234 20 10 EGCDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140180858 1378027326 /nfs/dbraw/zinc/02/73/26/1378027326.db2.gz NJESGDUOZCMMPI-UHFFFAOYSA-N 2 1 325.456 3.451 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC001140304238 1378042996 /nfs/dbraw/zinc/04/29/96/1378042996.db2.gz JZQMPPMTCLRJTI-MRXNPFEDSA-N 2 1 341.421 3.213 20 10 EGCDMP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC001342390444 1390608023 /nfs/dbraw/zinc/60/80/23/1390608023.db2.gz PSXQZFWBKVTWTN-HNNXBMFYSA-N 2 1 343.446 3.134 20 10 EGCDMP CCN(C)c1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124362480 454723909 /nfs/dbraw/zinc/72/39/09/454723909.db2.gz YEOLFFKFZGOVHY-SFHVURJKSA-N 2 1 346.563 3.067 20 10 EGCDMP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000129373952 455108802 /nfs/dbraw/zinc/10/88/02/455108802.db2.gz NYGVZZAQFFFWRG-PXAZEXFGSA-N 2 1 331.391 3.014 20 10 EGCDMP COc1ccc(O)c(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272702636 456045291 /nfs/dbraw/zinc/04/52/91/456045291.db2.gz YYEUNYSLSFYJRC-AEFFLSMTSA-N 2 1 340.467 3.401 20 10 EGCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1c(O)ccc2ccccc21 ZINC000366545713 457847841 /nfs/dbraw/zinc/84/78/41/457847841.db2.gz LAIDNZVEMASRCL-LKUPVBHCSA-N 2 1 340.467 3.229 20 10 EGCDMP CCN(CC)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000733330779 575328822 /nfs/dbraw/zinc/32/88/22/575328822.db2.gz MKJHLLOEJDJIDG-OAQYLSRUSA-N 2 1 345.531 3.266 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000756420105 1300487116 /nfs/dbraw/zinc/48/71/16/1300487116.db2.gz HCPYHUWXGKUYJY-OAGGEKHMSA-N 2 1 348.487 3.197 20 10 EGCDMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2c1c(F)ccc2O ZINC000756570838 1300524452 /nfs/dbraw/zinc/52/44/52/1300524452.db2.gz BNGKLXWKNIMSKG-UKPHBRMFSA-N 2 1 348.462 3.313 20 10 EGCDMP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1O ZINC000769133887 1303053385 /nfs/dbraw/zinc/05/33/85/1303053385.db2.gz MSZOMXXOXISAFZ-XLIONFOSSA-N 2 1 339.483 3.032 20 10 EGCDMP CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000770373571 1303255977 /nfs/dbraw/zinc/25/59/77/1303255977.db2.gz HMBCIEXJIJQAHB-APWZRJJASA-N 2 1 331.479 3.340 20 10 EGCDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000770373571 1303255982 /nfs/dbraw/zinc/25/59/82/1303255982.db2.gz HMBCIEXJIJQAHB-APWZRJJASA-N 2 1 331.479 3.340 20 10 EGCDMP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000770373571 1303255989 /nfs/dbraw/zinc/25/59/89/1303255989.db2.gz HMBCIEXJIJQAHB-APWZRJJASA-N 2 1 331.479 3.340 20 10 EGCDMP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000770373571 1303255993 /nfs/dbraw/zinc/25/59/93/1303255993.db2.gz HMBCIEXJIJQAHB-APWZRJJASA-N 2 1 331.479 3.340 20 10 EGCDMP C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775688142 1304015646 /nfs/dbraw/zinc/01/56/46/1304015646.db2.gz LFZAZSNNQOSZDW-KRWDZBQOSA-N 2 1 339.483 3.337 20 10 EGCDMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1O ZINC000783489378 1305097799 /nfs/dbraw/zinc/09/77/99/1305097799.db2.gz COPXQJUQFWZYJK-NVXWUHKLSA-N 2 1 345.512 3.093 20 10 EGCDMP COc1cc(C)cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000894597994 1308971815 /nfs/dbraw/zinc/97/18/15/1308971815.db2.gz VIBSRHRWVTYBNU-SFHVURJKSA-N 2 1 340.467 3.321 20 10 EGCDMP CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000796727888 1310074348 /nfs/dbraw/zinc/07/43/48/1310074348.db2.gz JGVJTOMIKKRSCZ-DAYGRLMNSA-N 2 1 338.467 3.461 20 10 EGCDMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000796727888 1310074356 /nfs/dbraw/zinc/07/43/56/1310074356.db2.gz JGVJTOMIKKRSCZ-DAYGRLMNSA-N 2 1 338.467 3.461 20 10 EGCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1O ZINC000808694579 1317718016 /nfs/dbraw/zinc/71/80/16/1317718016.db2.gz FKGSYGFFSSHDKX-ZBFHGGJFSA-N 2 1 340.895 3.242 20 10 EGCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1O ZINC000808717307 1317722485 /nfs/dbraw/zinc/72/24/85/1317722485.db2.gz BUKPNKSKQGKDNX-CQSZACIVSA-N 2 1 339.911 3.031 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1O ZINC000809735537 1317882923 /nfs/dbraw/zinc/88/29/23/1317882923.db2.gz KACSMMJOIDKOBA-ZDUSSCGKSA-N 2 1 341.293 3.283 20 10 EGCDMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934842 1320372340 /nfs/dbraw/zinc/37/23/40/1320372340.db2.gz LKCTZPRLGBWOAD-KDOFPFPSSA-N 2 1 334.504 3.470 20 10 EGCDMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934842 1320372343 /nfs/dbraw/zinc/37/23/43/1320372343.db2.gz LKCTZPRLGBWOAD-KDOFPFPSSA-N 2 1 334.504 3.470 20 10 EGCDMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934842 1320372346 /nfs/dbraw/zinc/37/23/46/1320372346.db2.gz LKCTZPRLGBWOAD-KDOFPFPSSA-N 2 1 334.504 3.470 20 10 EGCDMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934842 1320372351 /nfs/dbraw/zinc/37/23/51/1320372351.db2.gz LKCTZPRLGBWOAD-KDOFPFPSSA-N 2 1 334.504 3.470 20 10 EGCDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000843058503 1321464022 /nfs/dbraw/zinc/46/40/22/1321464022.db2.gz UTFXACYBQLUSQU-WBVHZDCISA-N 2 1 326.440 3.140 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1O ZINC001205638851 1370822932 /nfs/dbraw/zinc/82/29/32/1370822932.db2.gz SOXRSNNBZRZXCD-YPMHNXCESA-N 2 1 341.293 3.270 20 10 EGCDMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(O)cc1Br ZINC001206809399 1371175702 /nfs/dbraw/zinc/17/57/02/1371175702.db2.gz LPMUYZNJKSIWJC-NEPJUHHUSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(O)cc1Br ZINC001206809399 1371175703 /nfs/dbraw/zinc/17/57/03/1371175703.db2.gz LPMUYZNJKSIWJC-NEPJUHHUSA-N 2 1 327.266 3.022 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC[C@H]1C[NH3+] ZINC001205626941 1370816668 /nfs/dbraw/zinc/81/66/68/1370816668.db2.gz KVMUAKRMKKJCPX-JXFKEZNVSA-N 2 1 327.516 3.192 20 10 EGCDMP [NH3+][C@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)CC[C@H]1F ZINC001206201879 1370991221 /nfs/dbraw/zinc/99/12/21/1370991221.db2.gz ZPENVVYADYVYMV-MOPGFXCFSA-N 2 1 344.430 3.232 20 10 EGCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001206327832 1371024760 /nfs/dbraw/zinc/02/47/60/1371024760.db2.gz YQNUPWLHYIIYIB-OAHLLOKOSA-N 2 1 332.366 3.242 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(OC)c1 ZINC001206547737 1371089864 /nfs/dbraw/zinc/08/98/64/1371089864.db2.gz FSMCOIIYMHRBSE-HXUWFJFHSA-N 2 1 333.520 3.492 20 10 EGCDMP Cc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1O ZINC001231592772 1376273262 /nfs/dbraw/zinc/27/32/62/1376273262.db2.gz UMNGUWLGVWSUCW-IAGOWNOFSA-N 2 1 328.481 3.326 20 10 EGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(OC(F)(F)F)c1O ZINC001233776728 1376714389 /nfs/dbraw/zinc/71/43/89/1376714389.db2.gz XHMSCJULYSUVRW-UHFFFAOYSA-N 2 1 334.382 3.455 20 10 EGCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235254580 1376863552 /nfs/dbraw/zinc/86/35/52/1376863552.db2.gz CGJFROVHSYZNPU-LRDDRELGSA-N 2 1 347.256 3.102 20 10 EGCDMP c1ccc2c(c1)C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)CCS2 ZINC001236240703 1376944139 /nfs/dbraw/zinc/94/41/39/1376944139.db2.gz OHIWBQKBFVGARN-UHFFFAOYSA-N 2 1 339.508 3.204 20 10 EGCDMP CCCC[C@@H]1C[C@H]([NH+]2CCN(c3ccc(OC)cc3C)CC2)CC[NH2+]1 ZINC001246937166 1377056478 /nfs/dbraw/zinc/05/64/78/1377056478.db2.gz ZLYPWGVEMFVRQY-RTBURBONSA-N 2 1 345.531 3.436 20 10 EGCDMP Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c(O)c1 ZINC001140952187 1378190143 /nfs/dbraw/zinc/19/01/43/1378190143.db2.gz HQUSEZFTXDYUCH-HXUWFJFHSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c(O)c1 ZINC001140952187 1378190149 /nfs/dbraw/zinc/19/01/49/1378190149.db2.gz HQUSEZFTXDYUCH-HXUWFJFHSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c(O)c1 ZINC001140952187 1378190156 /nfs/dbraw/zinc/19/01/56/1378190156.db2.gz HQUSEZFTXDYUCH-HXUWFJFHSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c(O)c1 ZINC001140952187 1378190160 /nfs/dbraw/zinc/19/01/60/1378190160.db2.gz HQUSEZFTXDYUCH-HXUWFJFHSA-N 2 1 332.488 3.023 20 10 EGCDMP Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c(O)c1 ZINC001140952187 1378190166 /nfs/dbraw/zinc/19/01/66/1378190166.db2.gz HQUSEZFTXDYUCH-HXUWFJFHSA-N 2 1 332.488 3.023 20 10 EGCDMP COC(=O)CCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001173445897 1384971589 /nfs/dbraw/zinc/97/15/89/1384971589.db2.gz PBUUYQVDJDAEEK-INIZCTEOSA-N 2 1 348.487 3.068 20 10 EGCDMP C[N@H+](Cc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319513142 1386154714 /nfs/dbraw/zinc/15/47/14/1386154714.db2.gz NECJSAFNIWGSAC-UHFFFAOYSA-N 2 1 327.447 3.210 20 10 EGCDMP C[N@@H+](Cc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319513142 1386154717 /nfs/dbraw/zinc/15/47/17/1386154717.db2.gz NECJSAFNIWGSAC-UHFFFAOYSA-N 2 1 327.447 3.210 20 10 EGCDMP CSCCCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321386573 1386891583 /nfs/dbraw/zinc/89/15/83/1386891583.db2.gz GTHPIYQPNVFHOW-UHFFFAOYSA-N 2 1 339.524 3.200 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH+](CC3CC3)CC3CC3)cc2F)CC1 ZINC001347323412 1391054305 /nfs/dbraw/zinc/05/43/05/1391054305.db2.gz RAAQFBZPYTZSAM-UHFFFAOYSA-N 2 1 331.479 3.200 20 10 EGCDMP COc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272702639 456045519 /nfs/dbraw/zinc/04/55/19/456045519.db2.gz YYEUNYSLSFYJRC-WMZOPIPTSA-N 2 1 340.467 3.401 20 10 EGCDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273363786 456224914 /nfs/dbraw/zinc/22/49/14/456224914.db2.gz DPQGBLHVCSETTH-LLVKDONJSA-N 2 1 338.249 3.401 20 10 EGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)[C@@H](C)C1 ZINC000297549394 456249539 /nfs/dbraw/zinc/24/95/39/456249539.db2.gz FOGDUNIPKURBRW-RYQLBKOJSA-N 2 1 332.488 3.106 20 10 EGCDMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(Br)ccc2O)CC1 ZINC000373699734 458576668 /nfs/dbraw/zinc/57/66/68/458576668.db2.gz YSOWUZRWVIDZRW-UHFFFAOYSA-N 2 1 339.277 3.215 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000841083947 1321215748 /nfs/dbraw/zinc/21/57/48/1321215748.db2.gz USUCNCIBNZZWNF-JOCQHMNTSA-N 2 1 341.293 3.318 20 10 EGCDMP COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1O ZINC000827951339 1292411559 /nfs/dbraw/zinc/41/15/59/1292411559.db2.gz XUUXFHJJMXLGQN-AWEZNQCLSA-N 2 1 338.879 3.266 20 10 EGCDMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834908439 1293173274 /nfs/dbraw/zinc/17/32/74/1293173274.db2.gz DWMFFOZVAPABRE-INIZCTEOSA-N 2 1 349.494 3.187 20 10 EGCDMP COc1ccc(N2CCC([NH2+]C[C@H](C(C)C)[NH+]3CCCC3)CC2)cc1 ZINC000132992084 1293734354 /nfs/dbraw/zinc/73/43/54/1293734354.db2.gz WQWOFSWJIMIAQB-OAQYLSRUSA-N 2 1 345.531 3.374 20 10 EGCDMP C[C@H](CC[N@@H+](C)Cc1ccccc1O)[NH+](C)Cc1ccccc1O ZINC000153450451 1294015442 /nfs/dbraw/zinc/01/54/42/1294015442.db2.gz IRZXYOMHAITGSR-MRXNPFEDSA-N 2 1 328.456 3.440 20 10 EGCDMP C[C@H](CC[NH+](C)Cc1ccccc1O)[N@H+](C)Cc1ccccc1O ZINC000153450451 1294015445 /nfs/dbraw/zinc/01/54/45/1294015445.db2.gz IRZXYOMHAITGSR-MRXNPFEDSA-N 2 1 328.456 3.440 20 10 EGCDMP C[C@H](CC[NH+](C)Cc1ccccc1O)[N@@H+](C)Cc1ccccc1O ZINC000153450451 1294015451 /nfs/dbraw/zinc/01/54/51/1294015451.db2.gz IRZXYOMHAITGSR-MRXNPFEDSA-N 2 1 328.456 3.440 20 10 EGCDMP C[N@H+](Cc1cc(F)ccc1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180139411 1294861990 /nfs/dbraw/zinc/86/19/90/1294861990.db2.gz ODVMNRWOAJTDRU-QGZVFWFLSA-N 2 1 328.431 3.485 20 10 EGCDMP C[NH+](Cc1cc(F)ccc1O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180139411 1294861998 /nfs/dbraw/zinc/86/19/98/1294861998.db2.gz ODVMNRWOAJTDRU-QGZVFWFLSA-N 2 1 328.431 3.485 20 10 EGCDMP C[NH+](Cc1cc(F)ccc1O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180139411 1294862005 /nfs/dbraw/zinc/86/20/05/1294862005.db2.gz ODVMNRWOAJTDRU-QGZVFWFLSA-N 2 1 328.431 3.485 20 10 EGCDMP COc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1O ZINC000708548864 1298243411 /nfs/dbraw/zinc/24/34/11/1298243411.db2.gz BUKWYEBFERMKPH-QFBILLFUSA-N 2 1 340.467 3.259 20 10 EGCDMP CCN(C)c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000762650790 1301720615 /nfs/dbraw/zinc/72/06/15/1301720615.db2.gz RWVCGQLPHUOOSD-ROUUACIJSA-N 2 1 333.520 3.294 20 10 EGCDMP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000762648471 1301721240 /nfs/dbraw/zinc/72/12/40/1301721240.db2.gz IZWKVLOXIFDFCC-SQWLQELKSA-N 2 1 336.451 3.170 20 10 EGCDMP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000762648471 1301721248 /nfs/dbraw/zinc/72/12/48/1301721248.db2.gz IZWKVLOXIFDFCC-SQWLQELKSA-N 2 1 336.451 3.170 20 10 EGCDMP CCN(C)c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000762650785 1301721560 /nfs/dbraw/zinc/72/15/60/1301721560.db2.gz RWVCGQLPHUOOSD-MSOLQXFVSA-N 2 1 333.520 3.294 20 10 EGCDMP Cc1nc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000883289289 1302368429 /nfs/dbraw/zinc/36/84/29/1302368429.db2.gz KAUMXLMKYAAKMW-CQSZACIVSA-N 2 1 330.501 3.054 20 10 EGCDMP COc1cccc(O)c1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000769402105 1303107612 /nfs/dbraw/zinc/10/76/12/1303107612.db2.gz AWOLFUKWFPOBAR-GOSISDBHSA-N 2 1 340.467 3.355 20 10 EGCDMP COc1cccc(O)c1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000769402105 1303107616 /nfs/dbraw/zinc/10/76/16/1303107616.db2.gz AWOLFUKWFPOBAR-GOSISDBHSA-N 2 1 340.467 3.355 20 10 EGCDMP COc1cccc(O)c1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769402105 1303107619 /nfs/dbraw/zinc/10/76/19/1303107619.db2.gz AWOLFUKWFPOBAR-GOSISDBHSA-N 2 1 340.467 3.355 20 10 EGCDMP COc1cccc(O)c1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769402105 1303107621 /nfs/dbraw/zinc/10/76/21/1303107621.db2.gz AWOLFUKWFPOBAR-GOSISDBHSA-N 2 1 340.467 3.355 20 10 EGCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1Cc2ccccc2C1 ZINC000775660704 1304007708 /nfs/dbraw/zinc/00/77/08/1304007708.db2.gz IKDNYWFMCWGWMB-UHFFFAOYSA-N 2 1 335.495 3.038 20 10 EGCDMP CCSCC[C@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775735588 1304024009 /nfs/dbraw/zinc/02/40/09/1304024009.db2.gz SQOKONIAVSFYMX-KRWDZBQOSA-N 2 1 335.561 3.402 20 10 EGCDMP CC[N@H+](Cc1cc(Br)ccc1O)CC1CC[NH+](C)CC1 ZINC000892195536 1305278031 /nfs/dbraw/zinc/27/80/31/1305278031.db2.gz RMPVLQRBGMBFIP-UHFFFAOYSA-N 2 1 341.293 3.318 20 10 EGCDMP C[C@H]1CC2(C[N@H+]1Cc1cc(Br)ccc1O)CC[NH2+]CC2 ZINC000818431923 1319540871 /nfs/dbraw/zinc/54/08/71/1319540871.db2.gz WLYANYXNJZWOOR-LBPRGKRZSA-N 2 1 339.277 3.119 20 10 EGCDMP COc1ccc(N2CCC([NH2+][C@@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000841039104 1321207144 /nfs/dbraw/zinc/20/71/44/1321207144.db2.gz ALFIQGICCLDSHG-FQEVSTJZSA-N 2 1 331.504 3.161 20 10 EGCDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000841088172 1321216815 /nfs/dbraw/zinc/21/68/15/1321216815.db2.gz ZFZDUTBYVUFRRR-LJQANCHMSA-N 2 1 328.456 3.434 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1O ZINC000843059271 1321463716 /nfs/dbraw/zinc/46/37/16/1321463716.db2.gz ITIJWUUBPHLNQM-TUKIKUTGSA-N 2 1 339.277 3.022 20 10 EGCDMP Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843125937 1321473859 /nfs/dbraw/zinc/47/38/59/1321473859.db2.gz DAAGTQYIECTSOP-QWHCGFSZSA-N 2 1 326.843 3.396 20 10 EGCDMP Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843125937 1321473860 /nfs/dbraw/zinc/47/38/60/1321473860.db2.gz DAAGTQYIECTSOP-QWHCGFSZSA-N 2 1 326.843 3.396 20 10 EGCDMP Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843126756 1321474582 /nfs/dbraw/zinc/47/45/82/1321474582.db2.gz MQZFEGGUTLTTMN-FXAWDEMLSA-N 2 1 338.451 3.155 20 10 EGCDMP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1O ZINC000843387832 1321509724 /nfs/dbraw/zinc/50/97/24/1321509724.db2.gz JBZUFSYKWKPSOK-UONOGXRCSA-N 2 1 336.863 3.070 20 10 EGCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1O ZINC000843387832 1321509728 /nfs/dbraw/zinc/50/97/28/1321509728.db2.gz JBZUFSYKWKPSOK-UONOGXRCSA-N 2 1 336.863 3.070 20 10 EGCDMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(O)cc1Br ZINC001206809407 1371175697 /nfs/dbraw/zinc/17/56/97/1371175697.db2.gz LPMUYZNJKSIWJC-VXGBXAGGSA-N 2 1 327.266 3.022 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(OC)c1 ZINC001205618411 1370813125 /nfs/dbraw/zinc/81/31/25/1370813125.db2.gz VTYLLWJTDZQIRP-IAGOWNOFSA-N 2 1 333.520 3.348 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1Br ZINC001205914795 1370908920 /nfs/dbraw/zinc/90/89/20/1370908920.db2.gz NTDUGFZXQNTMBM-NWDGAFQWSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1Br ZINC001205914795 1370908928 /nfs/dbraw/zinc/90/89/28/1370908928.db2.gz NTDUGFZXQNTMBM-NWDGAFQWSA-N 2 1 327.266 3.022 20 10 EGCDMP CC1(C)C=Cc2c(O)c(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)ccc2O1 ZINC001206380823 1371039904 /nfs/dbraw/zinc/03/99/04/1371039904.db2.gz UCIHJTMMBOXJEJ-IBGZPJMESA-N 2 1 334.435 3.229 20 10 EGCDMP CC1(C)C=Cc2c(O)c(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)ccc2O1 ZINC001206380823 1371039909 /nfs/dbraw/zinc/03/99/09/1371039909.db2.gz UCIHJTMMBOXJEJ-IBGZPJMESA-N 2 1 334.435 3.229 20 10 EGCDMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(O)cc1Br ZINC001206809407 1371175694 /nfs/dbraw/zinc/17/56/94/1371175694.db2.gz LPMUYZNJKSIWJC-VXGBXAGGSA-N 2 1 327.266 3.022 20 10 EGCDMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC001232014221 1376384407 /nfs/dbraw/zinc/38/44/07/1376384407.db2.gz LHJKKFSPCZDAST-UHFFFAOYSA-N 2 1 336.439 3.032 20 10 EGCDMP Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041194 1376838952 /nfs/dbraw/zinc/83/89/52/1376838952.db2.gz YCFCXJNCPNSKFR-INIZCTEOSA-N 2 1 344.377 3.399 20 10 EGCDMP Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041194 1376838959 /nfs/dbraw/zinc/83/89/59/1376838959.db2.gz YCFCXJNCPNSKFR-INIZCTEOSA-N 2 1 344.377 3.399 20 10 EGCDMP Oc1ccc(Br)cc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189848 1376856242 /nfs/dbraw/zinc/85/62/42/1376856242.db2.gz DYPJHKLROREMMU-UHFFFAOYSA-N 2 1 339.277 3.263 20 10 EGCDMP CC[N@@H+](Cc1ccccc1O)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140971616 1378195491 /nfs/dbraw/zinc/19/54/91/1378195491.db2.gz YMQVGWFOIVGBLV-UHFFFAOYSA-N 2 1 339.483 3.166 20 10 EGCDMP COc1cc(O)c(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c(OC)c1 ZINC001141028369 1378212822 /nfs/dbraw/zinc/21/28/22/1378212822.db2.gz MEGXVSUOPVBGRO-INIZCTEOSA-N 2 1 348.487 3.250 20 10 EGCDMP COc1cc(O)c(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c(OC)c1 ZINC001141028369 1378212827 /nfs/dbraw/zinc/21/28/27/1378212827.db2.gz MEGXVSUOPVBGRO-INIZCTEOSA-N 2 1 348.487 3.250 20 10 EGCDMP CCCC[NH+]1CCC([N@H+](C)Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141033082 1378213787 /nfs/dbraw/zinc/21/37/87/1378213787.db2.gz YZQZMDHIUDOKSZ-UHFFFAOYSA-N 2 1 336.476 3.106 20 10 EGCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141033082 1378213792 /nfs/dbraw/zinc/21/37/92/1378213792.db2.gz YZQZMDHIUDOKSZ-UHFFFAOYSA-N 2 1 336.476 3.106 20 10 EGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000178695079 454967790 /nfs/dbraw/zinc/96/77/90/454967790.db2.gz UXXGUXMMISWFRY-IAGOWNOFSA-N 2 1 342.487 3.015 20 10 EGCDMP CC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000268845441 455715922 /nfs/dbraw/zinc/71/59/22/455715922.db2.gz DSWKEHKRFDAUEF-HXUWFJFHSA-N 2 1 345.531 3.438 20 10 EGCDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000278029991 455738738 /nfs/dbraw/zinc/73/87/38/455738738.db2.gz WWOTZJKNLWIUCJ-LJQANCHMSA-N 2 1 345.531 3.267 20 10 EGCDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(OC)ccc1O ZINC000289482937 456127202 /nfs/dbraw/zinc/12/72/02/456127202.db2.gz QTTWSHACCQCJLT-UHFFFAOYSA-N 2 1 328.456 3.485 20 10 EGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000122698574 1293422029 /nfs/dbraw/zinc/42/20/29/1293422029.db2.gz AFQATQFDLCJTLM-NQIIRXRSSA-N 2 1 347.547 3.288 20 10 EGCDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000180547807 1294899346 /nfs/dbraw/zinc/89/93/46/1294899346.db2.gz LMIGALYDHHESGR-UHFFFAOYSA-N 2 1 334.504 3.271 20 10 EGCDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c(O)ccc4ccncc43)C2)CC1 ZINC000755782208 1300396795 /nfs/dbraw/zinc/39/67/95/1300396795.db2.gz YJZFTHTUAVWQIV-KRWDZBQOSA-N 2 1 325.456 3.104 20 10 EGCDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000762650161 1301720867 /nfs/dbraw/zinc/72/08/67/1301720867.db2.gz POZXIRBCEQIBAZ-DLBZAZTESA-N 2 1 346.515 3.423 20 10 EGCDMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000765972597 1302358955 /nfs/dbraw/zinc/35/89/55/1302358955.db2.gz BHKMASPBELXFHU-UZLBHIALSA-N 2 1 331.504 3.047 20 10 EGCDMP CCN(Cc1ccccc1)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000770395147 1303261489 /nfs/dbraw/zinc/26/14/89/1303261489.db2.gz QOASZFDFEXBVRQ-OYRHEFFESA-N 2 1 335.495 3.364 20 10 EGCDMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(O)c1OC ZINC000893488829 1305922779 /nfs/dbraw/zinc/92/27/79/1305922779.db2.gz UGWQMVVMFVBHFT-GDBMZVCRSA-N 2 1 348.487 3.152 20 10 EGCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816516998 1319173200 /nfs/dbraw/zinc/17/32/00/1319173200.db2.gz ZSBCSPHMKXWMCM-LJQANCHMSA-N 2 1 342.483 3.478 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000817984433 1319485706 /nfs/dbraw/zinc/48/57/06/1319485706.db2.gz YCLFPQLYDXTKAP-KSSFIOAISA-N 2 1 342.439 3.310 20 10 EGCDMP [NH3+]C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000841086825 1321215819 /nfs/dbraw/zinc/21/58/19/1321215819.db2.gz MVVHNBUWTFZQAX-KRWDZBQOSA-N 2 1 346.475 3.192 20 10 EGCDMP CCC[N@H+](Cc1ccccc1O)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000842472273 1321392474 /nfs/dbraw/zinc/39/24/74/1321392474.db2.gz VVHGZDFKPXRWBW-GOSISDBHSA-N 2 1 328.456 3.355 20 10 EGCDMP Oc1c(Br)cccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000843045026 1321460474 /nfs/dbraw/zinc/46/04/74/1321460474.db2.gz GKGNAOVFHKUHFV-OAHLLOKOSA-N 2 1 339.277 3.119 20 10 EGCDMP C[N@@H+](CCC[NH3+])Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000843050530 1321461241 /nfs/dbraw/zinc/46/12/41/1321461241.db2.gz MVTJBCYNPBBQTN-UHFFFAOYSA-N 2 1 340.309 3.220 20 10 EGCDMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843052885 1321461761 /nfs/dbraw/zinc/46/17/61/1321461761.db2.gz XOYDWZLCIFUOSM-DOTOQJQBSA-N 2 1 346.475 3.144 20 10 EGCDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843052885 1321461763 /nfs/dbraw/zinc/46/17/63/1321461763.db2.gz XOYDWZLCIFUOSM-DOTOQJQBSA-N 2 1 346.475 3.144 20 10 EGCDMP CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000843051350 1321462423 /nfs/dbraw/zinc/46/24/23/1321462423.db2.gz WXBRFPSZADHZOR-WBMJQRKESA-N 2 1 329.410 3.331 20 10 EGCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000843051350 1321462425 /nfs/dbraw/zinc/46/24/25/1321462425.db2.gz WXBRFPSZADHZOR-WBMJQRKESA-N 2 1 329.410 3.331 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+](C)C2CCC([NH3+])CC2)c1O ZINC000843055796 1321463056 /nfs/dbraw/zinc/46/30/56/1321463056.db2.gz OWEZYWPTISRBCA-UHFFFAOYSA-N 2 1 327.266 3.165 20 10 EGCDMP CN(C)c1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)c(C(F)(F)F)c1 ZINC000843055132 1321463324 /nfs/dbraw/zinc/46/33/24/1321463324.db2.gz SHZHHHAQZDKXTN-UHFFFAOYSA-N 2 1 329.410 3.473 20 10 EGCDMP CC[N@H+]1CC[C@@H](N(C)Cc2c(O)cccc2Br)C[C@@H]1C ZINC000862248759 1329470917 /nfs/dbraw/zinc/47/09/17/1329470917.db2.gz RAVIZZRRFNCWFI-QWHCGFSZSA-N 2 1 341.293 3.459 20 10 EGCDMP CN(c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000863551309 1329562248 /nfs/dbraw/zinc/56/22/48/1329562248.db2.gz KDAHHDJPCSAXGQ-NRFANRHFSA-N 2 1 345.531 3.002 20 10 EGCDMP CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001324904994 1387814042 /nfs/dbraw/zinc/81/40/42/1387814042.db2.gz QRZXDQKGONCRRW-MOPGFXCFSA-N 2 1 333.545 3.154 20 10 EGCDMP CN(C)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001203930743 1370319639 /nfs/dbraw/zinc/31/96/39/1370319639.db2.gz HARFCTVLIOZVFA-ROUUACIJSA-N 2 1 341.524 3.378 20 10 EGCDMP CCOC(=O)c1c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c2ccccc2n1C ZINC001205288709 1370708525 /nfs/dbraw/zinc/70/85/25/1370708525.db2.gz NPWMDOXNJXMUSK-HXUWFJFHSA-N 2 1 343.471 3.058 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)c2c1 ZINC001205638480 1370822952 /nfs/dbraw/zinc/82/29/52/1370822952.db2.gz OLOHPMZHUXYQNZ-GDBMZVCRSA-N 2 1 328.456 3.361 20 10 EGCDMP Cc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1Br ZINC001205652391 1370829137 /nfs/dbraw/zinc/82/91/37/1370829137.db2.gz PJEZJDZQQAGDAW-WCQYABFASA-N 2 1 341.293 3.270 20 10 EGCDMP C[N@H+](Cc1cccs1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116439777 1370911494 /nfs/dbraw/zinc/91/14/94/1370911494.db2.gz SKCVBRHDCNNLSC-UHFFFAOYSA-N 2 1 333.476 3.271 20 10 EGCDMP C[N@@H+](Cc1cccs1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116439777 1370911502 /nfs/dbraw/zinc/91/15/02/1370911502.db2.gz SKCVBRHDCNNLSC-UHFFFAOYSA-N 2 1 333.476 3.271 20 10 EGCDMP Oc1cccc(Br)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235046584 1376843039 /nfs/dbraw/zinc/84/30/39/1376843039.db2.gz RNSHXHXIVHOUCF-INIZCTEOSA-N 2 1 339.277 3.263 20 10 EGCDMP Oc1cccc(Br)c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235046584 1376843036 /nfs/dbraw/zinc/84/30/36/1376843036.db2.gz RNSHXHXIVHOUCF-INIZCTEOSA-N 2 1 339.277 3.263 20 10 EGCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235254585 1376863922 /nfs/dbraw/zinc/86/39/22/1376863922.db2.gz CGJFROVHSYZNPU-MLGOLLRUSA-N 2 1 347.256 3.102 20 10 EGCDMP Oc1ccc(F)c(Cl)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427581 1376870963 /nfs/dbraw/zinc/87/09/63/1376870963.db2.gz NPRPOXGZYDCQFI-CHWSQXEVSA-N 2 1 326.843 3.396 20 10 EGCDMP CCC[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)C1CC[NH2+]CC1 ZINC001236182589 1376939917 /nfs/dbraw/zinc/93/99/17/1376939917.db2.gz RWYDGOWGJHOOIK-UHFFFAOYSA-N 2 1 327.516 3.349 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)Cc3cccc(O)c3)cc2)CC1 ZINC001140302739 1378042784 /nfs/dbraw/zinc/04/27/84/1378042784.db2.gz ZAXCBHXFSYRUIL-UHFFFAOYSA-N 2 1 339.483 3.166 20 10 EGCDMP Oc1ccc(O)c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001141161322 1378255180 /nfs/dbraw/zinc/25/51/80/1378255180.db2.gz DRNQXJUVBAVPLP-PKOBYXMFSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(O)c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001141161322 1378255201 /nfs/dbraw/zinc/25/52/01/1378255201.db2.gz DRNQXJUVBAVPLP-PKOBYXMFSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(O)c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001141161322 1378255207 /nfs/dbraw/zinc/25/52/07/1378255207.db2.gz DRNQXJUVBAVPLP-PKOBYXMFSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(O)c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001141161322 1378255208 /nfs/dbraw/zinc/25/52/08/1378255208.db2.gz DRNQXJUVBAVPLP-PKOBYXMFSA-N 2 1 338.451 3.052 20 10 EGCDMP C[NH+](CCCC[N@H+](C)Cc1ccccc1O)Cc1ccccc1O ZINC000077284306 454085616 /nfs/dbraw/zinc/08/56/16/454085616.db2.gz IEHFSAFXEVELPE-UHFFFAOYSA-N 2 1 328.456 3.442 20 10 EGCDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000278029977 455739045 /nfs/dbraw/zinc/73/90/45/455739045.db2.gz WWOTZJKNLWIUCJ-IBGZPJMESA-N 2 1 345.531 3.267 20 10 EGCDMP COc1cc(C)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000164538029 1294349654 /nfs/dbraw/zinc/34/96/54/1294349654.db2.gz TZIAUTBKDRNUAE-QAPCUYQASA-N 2 1 330.472 3.158 20 10 EGCDMP COc1cc(C)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000164538029 1294349656 /nfs/dbraw/zinc/34/96/56/1294349656.db2.gz TZIAUTBKDRNUAE-QAPCUYQASA-N 2 1 330.472 3.158 20 10 EGCDMP COc1cc(C)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000164538029 1294349661 /nfs/dbraw/zinc/34/96/61/1294349661.db2.gz TZIAUTBKDRNUAE-QAPCUYQASA-N 2 1 330.472 3.158 20 10 EGCDMP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C ZINC000873138996 1297293958 /nfs/dbraw/zinc/29/39/58/1297293958.db2.gz QQOHFHOMLOHKSX-IBGZPJMESA-N 2 1 332.488 3.127 20 10 EGCDMP CC[NH+]1CCN(CCCC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756408107 1300485863 /nfs/dbraw/zinc/48/58/63/1300485863.db2.gz JXSAAWPDUUYNDH-WBVHZDCISA-N 2 1 349.494 3.087 20 10 EGCDMP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1O ZINC000769133890 1303053795 /nfs/dbraw/zinc/05/37/95/1303053795.db2.gz MSZOMXXOXISAFZ-YLJYHZDGSA-N 2 1 339.483 3.032 20 10 EGCDMP CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000770373572 1303256535 /nfs/dbraw/zinc/25/65/35/1303256535.db2.gz HMBCIEXJIJQAHB-LPHOPBHVSA-N 2 1 331.479 3.340 20 10 EGCDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000770373572 1303256540 /nfs/dbraw/zinc/25/65/40/1303256540.db2.gz HMBCIEXJIJQAHB-LPHOPBHVSA-N 2 1 331.479 3.340 20 10 EGCDMP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000770373572 1303256546 /nfs/dbraw/zinc/25/65/46/1303256546.db2.gz HMBCIEXJIJQAHB-LPHOPBHVSA-N 2 1 331.479 3.340 20 10 EGCDMP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000770373572 1303256551 /nfs/dbraw/zinc/25/65/51/1303256551.db2.gz HMBCIEXJIJQAHB-LPHOPBHVSA-N 2 1 331.479 3.340 20 10 EGCDMP CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775206034 1303924610 /nfs/dbraw/zinc/92/46/10/1303924610.db2.gz UCPDJEPLRHGUQH-OAQYLSRUSA-N 2 1 345.531 3.220 20 10 EGCDMP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1O ZINC000796727894 1310073717 /nfs/dbraw/zinc/07/37/17/1310073717.db2.gz JGVJTOMIKKRSCZ-RKVPGOIHSA-N 2 1 338.467 3.461 20 10 EGCDMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858491002 1328778347 /nfs/dbraw/zinc/77/83/47/1328778347.db2.gz UYGPGQQVJRJBOI-SJORKVTESA-N 2 1 349.494 3.045 20 10 EGCDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C)c(C)cc3O)CC2)CC1 ZINC000817373310 1319343532 /nfs/dbraw/zinc/34/35/32/1319343532.db2.gz OLQBMYPDEGHYNG-UHFFFAOYSA-N 2 1 345.531 3.001 20 10 EGCDMP C[C@H]1CC2(C[N@@H+]1Cc1cccc(Br)c1O)CC[NH2+]CC2 ZINC000818431149 1319541205 /nfs/dbraw/zinc/54/12/05/1319541205.db2.gz GSCNQKNOTXRUMU-LBPRGKRZSA-N 2 1 339.277 3.119 20 10 EGCDMP C[C@H]1CC2(C[N@H+]1Cc1cccc(Br)c1O)CC[NH2+]CC2 ZINC000818431149 1319541220 /nfs/dbraw/zinc/54/12/20/1319541220.db2.gz GSCNQKNOTXRUMU-LBPRGKRZSA-N 2 1 339.277 3.119 20 10 EGCDMP CN(Cc1cccs1)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000823490227 1320183647 /nfs/dbraw/zinc/18/36/47/1320183647.db2.gz XRYDTRHCGHIMTI-CALCHBBNSA-N 2 1 327.497 3.036 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1Cl ZINC000824938182 1320298230 /nfs/dbraw/zinc/29/82/30/1320298230.db2.gz GSERLZCQAJWPSY-QILLFSRXSA-N 2 1 338.879 3.038 20 10 EGCDMP Cc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1Cl ZINC000824938182 1320298235 /nfs/dbraw/zinc/29/82/35/1320298235.db2.gz GSERLZCQAJWPSY-QILLFSRXSA-N 2 1 338.879 3.038 20 10 EGCDMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000841039003 1321207085 /nfs/dbraw/zinc/20/70/85/1321207085.db2.gz WTTVEIPRHYRDHF-GOSISDBHSA-N 2 1 328.456 3.434 20 10 EGCDMP CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cccc3c2OC(C)(C)C3)cc1 ZINC000841045378 1321208612 /nfs/dbraw/zinc/20/86/12/1321208612.db2.gz KMAWOZCIUSESTG-IBGZPJMESA-N 2 1 339.483 3.256 20 10 EGCDMP CC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000843050179 1321461518 /nfs/dbraw/zinc/46/15/18/1321461518.db2.gz ALQCOKMGPWRAMK-IRXDYDNUSA-N 2 1 346.475 3.144 20 10 EGCDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000843050179 1321461519 /nfs/dbraw/zinc/46/15/19/1321461519.db2.gz ALQCOKMGPWRAMK-IRXDYDNUSA-N 2 1 346.475 3.144 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000843056719 1321462805 /nfs/dbraw/zinc/46/28/05/1321462805.db2.gz XQYFPEDQNDWBKQ-AWEZNQCLSA-N 2 1 329.282 3.268 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000843056719 1321462807 /nfs/dbraw/zinc/46/28/07/1321462807.db2.gz XQYFPEDQNDWBKQ-AWEZNQCLSA-N 2 1 329.282 3.268 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205288131 1370708231 /nfs/dbraw/zinc/70/82/31/1370708231.db2.gz GPHJDLVJJXFHOJ-OAHLLOKOSA-N 2 1 327.266 3.166 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205288131 1370708233 /nfs/dbraw/zinc/70/82/33/1370708233.db2.gz GPHJDLVJJXFHOJ-OAHLLOKOSA-N 2 1 327.266 3.166 20 10 EGCDMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(O)cc1Br ZINC001205923172 1370911980 /nfs/dbraw/zinc/91/19/80/1370911980.db2.gz KALOVCYLRDDALM-RYUDHWBXSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(O)cc1Br ZINC001205923172 1370911978 /nfs/dbraw/zinc/91/19/78/1370911978.db2.gz KALOVCYLRDDALM-RYUDHWBXSA-N 2 1 327.266 3.022 20 10 EGCDMP C[C@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC[C@H]1C[NH3+] ZINC001206003462 1370935539 /nfs/dbraw/zinc/93/55/39/1370935539.db2.gz IHENVTNLAGFTDI-JXFKEZNVSA-N 2 1 327.516 3.192 20 10 EGCDMP C[C@@H]1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C[C@H]1[NH3+] ZINC001206043903 1370946809 /nfs/dbraw/zinc/94/68/09/1370946809.db2.gz ZDXSNSJDOCONCK-BDJLRTHQSA-N 2 1 349.272 3.477 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C[C@H]1[NH3+] ZINC001206043903 1370946814 /nfs/dbraw/zinc/94/68/14/1370946814.db2.gz ZDXSNSJDOCONCK-BDJLRTHQSA-N 2 1 349.272 3.477 20 10 EGCDMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001206262955 1371006958 /nfs/dbraw/zinc/00/69/58/1371006958.db2.gz KGAPGSKNSUQWBR-LBPRGKRZSA-N 2 1 349.272 3.492 20 10 EGCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001206324878 1371023609 /nfs/dbraw/zinc/02/36/09/1371023609.db2.gz FHLGBYZXMZMTSH-MRXNPFEDSA-N 2 1 346.393 3.284 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Br ZINC001206325295 1371023897 /nfs/dbraw/zinc/02/38/97/1371023897.db2.gz HHGTVWOYKRXOKC-MRXNPFEDSA-N 2 1 341.293 3.414 20 10 EGCDMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001206573231 1371097729 /nfs/dbraw/zinc/09/77/29/1371097729.db2.gz KJRCLLZHJBWGDE-OAHLLOKOSA-N 2 1 332.366 3.242 20 10 EGCDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001206573231 1371097731 /nfs/dbraw/zinc/09/77/31/1371097731.db2.gz KJRCLLZHJBWGDE-OAHLLOKOSA-N 2 1 332.366 3.242 20 10 EGCDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001327241324 1388460654 /nfs/dbraw/zinc/46/06/54/1388460654.db2.gz WVTMTFVFBIILJM-ZVDOUQERSA-N 2 1 343.515 3.005 20 10 EGCDMP COc1ccc(C[N@@H+](C)Cc2cc(C[NH+](C)C)c(O)c(OC)c2)cc1 ZINC001139254005 1377858223 /nfs/dbraw/zinc/85/82/23/1377858223.db2.gz BLRNFIFBSQBSSD-UHFFFAOYSA-N 2 1 344.455 3.103 20 10 EGCDMP COc1cc(C[N@@H+](C)Cc2ccc(C)cc2)cc(C[NH+](C)C)c1O ZINC001139256990 1377858620 /nfs/dbraw/zinc/85/86/20/1377858620.db2.gz OCDDVOHQTSVLJV-UHFFFAOYSA-N 2 1 328.456 3.403 20 10 EGCDMP Cc1cc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)ccc1N(C)C ZINC001139673743 1377931474 /nfs/dbraw/zinc/93/14/74/1377931474.db2.gz XJLAAQCHEQQSPQ-UHFFFAOYSA-N 2 1 345.531 3.136 20 10 EGCDMP Cc1cc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)ccc1N(C)C ZINC001139673743 1377931477 /nfs/dbraw/zinc/93/14/77/1377931477.db2.gz XJLAAQCHEQQSPQ-UHFFFAOYSA-N 2 1 345.531 3.136 20 10 EGCDMP Cc1ccc(O)c(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001140619706 1378099811 /nfs/dbraw/zinc/09/98/11/1378099811.db2.gz LMTOVCNCRQVDIW-IRXDYDNUSA-N 2 1 328.481 3.326 20 10 EGCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccsc1 ZINC001321395201 1386893428 /nfs/dbraw/zinc/89/34/28/1386893428.db2.gz BKJIEYKMSXACIN-CQSZACIVSA-N 2 1 333.476 3.490 20 10 EGCDMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273439681 456232067 /nfs/dbraw/zinc/23/20/67/456232067.db2.gz YBXYLYNDZKOXSJ-LSDHHAIUSA-N 2 1 336.476 3.340 20 10 EGCDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000246201577 1296342429 /nfs/dbraw/zinc/34/24/29/1296342429.db2.gz AXPKSFXZFHTHPQ-RHSMWYFYSA-N 2 1 332.488 3.311 20 10 EGCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000246201577 1296342444 /nfs/dbraw/zinc/34/24/44/1296342444.db2.gz AXPKSFXZFHTHPQ-RHSMWYFYSA-N 2 1 332.488 3.311 20 10 EGCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000246201577 1296342461 /nfs/dbraw/zinc/34/24/61/1296342461.db2.gz AXPKSFXZFHTHPQ-RHSMWYFYSA-N 2 1 332.488 3.311 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000756369701 1300477922 /nfs/dbraw/zinc/47/79/22/1300477922.db2.gz UARNUWKQTGDHOD-OAHLLOKOSA-N 2 1 348.487 3.484 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000756369701 1300477924 /nfs/dbraw/zinc/47/79/24/1300477924.db2.gz UARNUWKQTGDHOD-OAHLLOKOSA-N 2 1 348.487 3.484 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000756430993 1300487994 /nfs/dbraw/zinc/48/79/94/1300487994.db2.gz LMVBHYPOUMEGJV-JKSUJKDBSA-N 2 1 348.487 3.342 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000756430993 1300488000 /nfs/dbraw/zinc/48/80/00/1300488000.db2.gz LMVBHYPOUMEGJV-JKSUJKDBSA-N 2 1 348.487 3.342 20 10 EGCDMP COc1ccc(N2CCC([NH2+]CC3([NH+](C)C)CCCC3)CC2)cc1 ZINC000764653469 1302110348 /nfs/dbraw/zinc/11/03/48/1302110348.db2.gz FLGWROJRJGOVSM-UHFFFAOYSA-N 2 1 331.504 3.128 20 10 EGCDMP CCN(C)c1ccc(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)cc1 ZINC000773754312 1303735437 /nfs/dbraw/zinc/73/54/37/1303735437.db2.gz LXJBOIANDUFQSJ-FQEVSTJZSA-N 2 1 333.520 3.075 20 10 EGCDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000776170194 1304106315 /nfs/dbraw/zinc/10/63/15/1304106315.db2.gz ZWBFNDFWKSYORM-OAHLLOKOSA-N 2 1 349.906 3.089 20 10 EGCDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1O ZINC000783492903 1305099215 /nfs/dbraw/zinc/09/92/15/1305099215.db2.gz ATRBHVABCLYGFI-MRXNPFEDSA-N 2 1 326.440 3.075 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1Cl ZINC000826538526 1320387158 /nfs/dbraw/zinc/38/71/58/1320387158.db2.gz FGIKMDNERCSWBY-MRXNPFEDSA-N 2 1 338.879 3.041 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000839182949 1320887645 /nfs/dbraw/zinc/88/76/45/1320887645.db2.gz SBTJVNPGZXULEH-ZDUSSCGKSA-N 2 1 341.293 3.285 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000839182949 1320887649 /nfs/dbraw/zinc/88/76/49/1320887649.db2.gz SBTJVNPGZXULEH-ZDUSSCGKSA-N 2 1 341.293 3.285 20 10 EGCDMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)c2ccccc21 ZINC000817887891 1319451413 /nfs/dbraw/zinc/45/14/13/1319451413.db2.gz GOMYVYFBIQASTR-PMACEKPBSA-N 2 1 339.508 3.474 20 10 EGCDMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(C(F)(F)F)c1O ZINC000817987387 1319487025 /nfs/dbraw/zinc/48/70/25/1319487025.db2.gz TWPDWLAMAWNWIC-ZDEQEGDKSA-N 2 1 328.378 3.450 20 10 EGCDMP CN(c1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1)C1CCCCC1 ZINC000818979980 1319602617 /nfs/dbraw/zinc/60/26/17/1319602617.db2.gz FGCJEZJKUCVOOU-OAQYLSRUSA-N 2 1 345.531 3.000 20 10 EGCDMP CN(c1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1)C1CCCCC1 ZINC000818979980 1319602628 /nfs/dbraw/zinc/60/26/28/1319602628.db2.gz FGCJEZJKUCVOOU-OAQYLSRUSA-N 2 1 345.531 3.000 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1C[NH3+] ZINC000841101718 1321218718 /nfs/dbraw/zinc/21/87/18/1321218718.db2.gz ZPQWMNGKSOIMGP-QFBILLFUSA-N 2 1 340.467 3.388 20 10 EGCDMP C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C1CC[NH2+]CC1 ZINC000843046608 1321460868 /nfs/dbraw/zinc/46/08/68/1321460868.db2.gz XCIZZTHVODBLHI-UHFFFAOYSA-N 2 1 326.440 3.155 20 10 EGCDMP CCN(CC)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000848527918 1321969016 /nfs/dbraw/zinc/96/90/16/1321969016.db2.gz IDVJCMLCONORIQ-SFHVURJKSA-N 2 1 349.494 3.015 20 10 EGCDMP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1O ZINC000850516679 1322260015 /nfs/dbraw/zinc/26/00/15/1322260015.db2.gz JUNQXAORJQGRCV-OAHLLOKOSA-N 2 1 343.446 3.489 20 10 EGCDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2c(O)cccc2Br)C1 ZINC000862368100 1329478479 /nfs/dbraw/zinc/47/84/79/1329478479.db2.gz COQIQVJNDRDDQA-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2c(O)cccc2Br)C1 ZINC000862368100 1329478481 /nfs/dbraw/zinc/47/84/81/1329478481.db2.gz COQIQVJNDRDDQA-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2c(O)cccc2Br)C1 ZINC000862368100 1329478482 /nfs/dbraw/zinc/47/84/82/1329478482.db2.gz COQIQVJNDRDDQA-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCC1(F)F ZINC001324207668 1387557332 /nfs/dbraw/zinc/55/73/32/1387557332.db2.gz ICFGOALFEDKZRR-CQSZACIVSA-N 2 1 341.421 3.055 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCC1(F)F ZINC001324207668 1387557335 /nfs/dbraw/zinc/55/73/35/1387557335.db2.gz ICFGOALFEDKZRR-CQSZACIVSA-N 2 1 341.421 3.055 20 10 EGCDMP Oc1ccc(C(F)(F)F)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204743029 1370562271 /nfs/dbraw/zinc/56/22/71/1370562271.db2.gz XSFCWBRGOLHWMX-UHFFFAOYSA-N 2 1 328.378 3.377 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1O ZINC001205638848 1370822786 /nfs/dbraw/zinc/82/27/86/1370822786.db2.gz SOXRSNNBZRZXCD-AAEUAGOBSA-N 2 1 341.293 3.270 20 10 EGCDMP C[C@@H]1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C[C@@H]1[NH3+] ZINC001205881357 1370899185 /nfs/dbraw/zinc/89/91/85/1370899185.db2.gz ZDXSNSJDOCONCK-BZNIZROVSA-N 2 1 349.272 3.477 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C[C@@H]1[NH3+] ZINC001205881357 1370899192 /nfs/dbraw/zinc/89/91/92/1370899192.db2.gz ZDXSNSJDOCONCK-BZNIZROVSA-N 2 1 349.272 3.477 20 10 EGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001116564890 1370937491 /nfs/dbraw/zinc/93/74/91/1370937491.db2.gz AKKBLMRLRZNZMC-NJAFHUGGSA-N 2 1 344.499 3.482 20 10 EGCDMP c1c(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc2c3c1CCCN3CCC2 ZINC001226783058 1375333552 /nfs/dbraw/zinc/33/35/52/1375333552.db2.gz DOFFLNGKVNXDJM-UHFFFAOYSA-N 2 1 325.500 3.103 20 10 EGCDMP Oc1cccc(Br)c1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235046586 1376842799 /nfs/dbraw/zinc/84/27/99/1376842799.db2.gz RNSHXHXIVHOUCF-MRXNPFEDSA-N 2 1 339.277 3.263 20 10 EGCDMP Oc1cccc(Br)c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235046586 1376842806 /nfs/dbraw/zinc/84/28/06/1376842806.db2.gz RNSHXHXIVHOUCF-MRXNPFEDSA-N 2 1 339.277 3.263 20 10 EGCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235254590 1376864206 /nfs/dbraw/zinc/86/42/06/1376864206.db2.gz CGJFROVHSYZNPU-WBMJQRKESA-N 2 1 347.256 3.102 20 10 EGCDMP COc1cc(C[N@@H+]2Cc3cccc(C)c3C2)cc(C[NH+](C)C)c1O ZINC001139255881 1377858875 /nfs/dbraw/zinc/85/88/75/1377858875.db2.gz SKJHFEXCDIQHQS-UHFFFAOYSA-N 2 1 326.440 3.287 20 10 EGCDMP COc1cc(C[N@H+]2Cc3cccc(C)c3C2)cc(C[NH+](C)C)c1O ZINC001139255881 1377858883 /nfs/dbraw/zinc/85/88/83/1377858883.db2.gz SKJHFEXCDIQHQS-UHFFFAOYSA-N 2 1 326.440 3.287 20 10 EGCDMP Oc1ccc(F)cc1CN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001140062723 1377999117 /nfs/dbraw/zinc/99/91/17/1377999117.db2.gz FJROBWMNLISXER-GASCZTMLSA-N 2 1 332.444 3.157 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(CC4(F)F)C3)cc2)CC1 ZINC001140303781 1378042794 /nfs/dbraw/zinc/04/27/94/1378042794.db2.gz AMTDZOAGUUTTCW-SFHVURJKSA-N 2 1 335.442 3.060 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(CC4(F)F)C3)cc2)CC1 ZINC001140303780 1378042879 /nfs/dbraw/zinc/04/28/79/1378042879.db2.gz AMTDZOAGUUTTCW-GOSISDBHSA-N 2 1 335.442 3.060 20 10 EGCDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)C1CCOCC1 ZINC001140309332 1378044379 /nfs/dbraw/zinc/04/43/79/1378044379.db2.gz BMLTWMDMMGSKRG-UHFFFAOYSA-N 2 1 345.531 3.220 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](CCCCCO)C(C)C)cc2)CC1 ZINC001140309765 1378044417 /nfs/dbraw/zinc/04/44/17/1378044417.db2.gz UCDIJWQHXYSRFU-UHFFFAOYSA-N 2 1 347.547 3.202 20 10 EGCDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076456 1378232637 /nfs/dbraw/zinc/23/26/37/1378232637.db2.gz SHMVDSJFXXGELS-UHFFFAOYSA-N 2 1 327.516 3.303 20 10 EGCDMP Oc1ccc(O)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001141159593 1378255022 /nfs/dbraw/zinc/25/50/22/1378255022.db2.gz HNGSUHOEADXXSS-UHFFFAOYSA-N 2 1 342.439 3.179 20 10 EGCDMP C[N@H+](Cc1cc(O)ccc1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001141161382 1378255093 /nfs/dbraw/zinc/25/50/93/1378255093.db2.gz QXXICEXCDSYXON-QGZVFWFLSA-N 2 1 326.440 3.052 20 10 EGCDMP C[NH+](Cc1cc(O)ccc1O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001141161382 1378255095 /nfs/dbraw/zinc/25/50/95/1378255095.db2.gz QXXICEXCDSYXON-QGZVFWFLSA-N 2 1 326.440 3.052 20 10 EGCDMP C[NH+](Cc1cc(O)ccc1O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001141161382 1378255102 /nfs/dbraw/zinc/25/51/02/1378255102.db2.gz QXXICEXCDSYXON-QGZVFWFLSA-N 2 1 326.440 3.052 20 10 EGCDMP CCOc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000092066519 454512857 /nfs/dbraw/zinc/51/28/57/454512857.db2.gz CECAYSRYVVMZEW-CRAIPNDOSA-N 2 1 330.472 3.240 20 10 EGCDMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000092066519 454512861 /nfs/dbraw/zinc/51/28/61/454512861.db2.gz CECAYSRYVVMZEW-CRAIPNDOSA-N 2 1 330.472 3.240 20 10 EGCDMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000092066519 454512864 /nfs/dbraw/zinc/51/28/64/454512864.db2.gz CECAYSRYVVMZEW-CRAIPNDOSA-N 2 1 330.472 3.240 20 10 EGCDMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000268813808 455714221 /nfs/dbraw/zinc/71/42/21/455714221.db2.gz FPEXOQACVVNVQB-WIYYLYMNSA-N 2 1 345.531 3.174 20 10 EGCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1O ZINC000363862379 457457120 /nfs/dbraw/zinc/45/71/20/457457120.db2.gz YWACRISIESXXDW-IACUBPJLSA-N 2 1 339.277 3.432 20 10 EGCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Br)ccc1O ZINC000363861415 457455870 /nfs/dbraw/zinc/45/58/70/457455870.db2.gz WPEUQTMRYXWLNT-UBHSHLNASA-N 2 1 339.277 3.432 20 10 EGCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1O ZINC000363862379 457457114 /nfs/dbraw/zinc/45/71/14/457457114.db2.gz YWACRISIESXXDW-IACUBPJLSA-N 2 1 339.277 3.432 20 10 EGCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1c(O)ccc2ccccc21 ZINC000366545714 457847804 /nfs/dbraw/zinc/84/78/04/457847804.db2.gz LAIDNZVEMASRCL-OZOXKJRCSA-N 2 1 340.467 3.229 20 10 EGCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000742374698 576775591 /nfs/dbraw/zinc/77/55/91/576775591.db2.gz CXOWXDPJFUUKQF-WBVHZDCISA-N 2 1 346.475 3.157 20 10 EGCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000742374698 576775592 /nfs/dbraw/zinc/77/55/92/576775592.db2.gz CXOWXDPJFUUKQF-WBVHZDCISA-N 2 1 346.475 3.157 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000835062641 1293196568 /nfs/dbraw/zinc/19/65/68/1293196568.db2.gz DYZWWSMIFPGAKC-UHFFFAOYSA-N 2 1 341.293 3.427 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000835062641 1293196573 /nfs/dbraw/zinc/19/65/73/1293196573.db2.gz DYZWWSMIFPGAKC-UHFFFAOYSA-N 2 1 341.293 3.427 20 10 EGCDMP COc1cc(C)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000246991268 1296378838 /nfs/dbraw/zinc/37/88/38/1296378838.db2.gz TZIAUTBKDRNUAE-YJBOKZPZSA-N 2 1 330.472 3.158 20 10 EGCDMP COc1cc(C)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000246991268 1296378846 /nfs/dbraw/zinc/37/88/46/1296378846.db2.gz TZIAUTBKDRNUAE-YJBOKZPZSA-N 2 1 330.472 3.158 20 10 EGCDMP COc1cc(C)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000246991268 1296378860 /nfs/dbraw/zinc/37/88/60/1296378860.db2.gz TZIAUTBKDRNUAE-YJBOKZPZSA-N 2 1 330.472 3.158 20 10 EGCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000747470591 1298787528 /nfs/dbraw/zinc/78/75/28/1298787528.db2.gz MPXYUXPUFMUQOI-SFHVURJKSA-N 2 1 342.483 3.478 20 10 EGCDMP Cc1cccc(O)c1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000876970297 1299094744 /nfs/dbraw/zinc/09/47/44/1299094744.db2.gz NZMFRPLQAZAKMA-QGZVFWFLSA-N 2 1 340.467 3.211 20 10 EGCDMP Cc1cccc(O)c1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000876970297 1299094757 /nfs/dbraw/zinc/09/47/57/1299094757.db2.gz NZMFRPLQAZAKMA-QGZVFWFLSA-N 2 1 340.467 3.211 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000756433363 1300489801 /nfs/dbraw/zinc/48/98/01/1300489801.db2.gz YILHGEPCQUNIAY-CVEARBPZSA-N 2 1 348.487 3.484 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000756433363 1300489806 /nfs/dbraw/zinc/48/98/06/1300489806.db2.gz YILHGEPCQUNIAY-CVEARBPZSA-N 2 1 348.487 3.484 20 10 EGCDMP COc1cccc(O)c1CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000769148804 1303055454 /nfs/dbraw/zinc/05/54/54/1303055454.db2.gz SDWYVDUNGLGJSR-SJORKVTESA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(O)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000769148804 1303055457 /nfs/dbraw/zinc/05/54/57/1303055457.db2.gz SDWYVDUNGLGJSR-SJORKVTESA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(O)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000769148804 1303055467 /nfs/dbraw/zinc/05/54/67/1303055467.db2.gz SDWYVDUNGLGJSR-SJORKVTESA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(O)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000769148804 1303055477 /nfs/dbraw/zinc/05/54/77/1303055477.db2.gz SDWYVDUNGLGJSR-SJORKVTESA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(O)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000769148804 1303055478 /nfs/dbraw/zinc/05/54/78/1303055478.db2.gz SDWYVDUNGLGJSR-SJORKVTESA-N 2 1 332.488 3.487 20 10 EGCDMP CN(C)c1ccc(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000771934828 1303463637 /nfs/dbraw/zinc/46/36/37/1303463637.db2.gz APTHOWCDQDQIRZ-UHFFFAOYSA-N 2 1 341.499 3.325 20 10 EGCDMP CCCO[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775687558 1304016204 /nfs/dbraw/zinc/01/62/04/1304016204.db2.gz FHHJDSKWRHCZBO-NRFANRHFSA-N 2 1 345.531 3.220 20 10 EGCDMP CN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(C(F)(F)F)c1 ZINC000792972723 1309272742 /nfs/dbraw/zinc/27/27/42/1309272742.db2.gz AXOHCJLLRCRBCX-CYBMUJFWSA-N 2 1 329.410 3.203 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1C[NH3+] ZINC000841101716 1321218742 /nfs/dbraw/zinc/21/87/42/1321218742.db2.gz ZPQWMNGKSOIMGP-LPHOPBHVSA-N 2 1 340.467 3.388 20 10 EGCDMP [NH3+][C@H]1CCC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)CC1 ZINC001205124415 1370657955 /nfs/dbraw/zinc/65/79/55/1370657955.db2.gz QTWNIWJIEGYTPH-SFHVURJKSA-N 2 1 326.440 3.284 20 10 EGCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001206327829 1371024925 /nfs/dbraw/zinc/02/49/25/1371024925.db2.gz YQNUPWLHYIIYIB-HNNXBMFYSA-N 2 1 332.366 3.242 20 10 EGCDMP Cc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(O)cc1Br ZINC001206581556 1371099282 /nfs/dbraw/zinc/09/92/82/1371099282.db2.gz KEOPWBMMYXTSJP-MRXNPFEDSA-N 2 1 341.293 3.414 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206641495 1371115998 /nfs/dbraw/zinc/11/59/98/1371115998.db2.gz YENKPXWQCFCPTE-GFCCVEGCSA-N 2 1 327.266 3.024 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206641495 1371116000 /nfs/dbraw/zinc/11/60/00/1371116000.db2.gz YENKPXWQCFCPTE-GFCCVEGCSA-N 2 1 327.266 3.024 20 10 EGCDMP Cc1cc(C)c(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c(O)c1 ZINC001231845623 1376325735 /nfs/dbraw/zinc/32/57/35/1376325735.db2.gz DKDDYRBOLIFVHC-UHFFFAOYSA-N 2 1 332.488 3.084 20 10 EGCDMP CCCC[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(OC)cc3C)CC2)CC[NH2+]1 ZINC001246937162 1377055911 /nfs/dbraw/zinc/05/59/11/1377055911.db2.gz ZLYPWGVEMFVRQY-MOPGFXCFSA-N 2 1 345.531 3.436 20 10 EGCDMP COc1cc(C[N@@H+]2CCc3ccsc3C2)cc(C[NH+](C)C)c1O ZINC001139257029 1377857937 /nfs/dbraw/zinc/85/79/37/1377857937.db2.gz PCVCGVOIVLHXKC-UHFFFAOYSA-N 2 1 332.469 3.082 20 10 EGCDMP COc1cc(C[N@H+]2CCc3ccsc3C2)cc(C[NH+](C)C)c1O ZINC001139257029 1377857941 /nfs/dbraw/zinc/85/79/41/1377857941.db2.gz PCVCGVOIVLHXKC-UHFFFAOYSA-N 2 1 332.469 3.082 20 10 EGCDMP COc1cc(C[N@H+](C)Cc2ccccc2F)cc(C[NH+](C)C)c1O ZINC001139256428 1377858025 /nfs/dbraw/zinc/85/80/25/1377858025.db2.gz AZOZEYMZDGIJGI-UHFFFAOYSA-N 2 1 332.419 3.234 20 10 EGCDMP COc1cc(C[N@@H+](C)Cc2ccccc2F)cc(C[NH+](C)C)c1O ZINC001139256428 1377858030 /nfs/dbraw/zinc/85/80/30/1377858030.db2.gz AZOZEYMZDGIJGI-UHFFFAOYSA-N 2 1 332.419 3.234 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C(F)F)C3)cc2)CC1 ZINC001140304560 1378043027 /nfs/dbraw/zinc/04/30/27/1378043027.db2.gz UXEVFNXJBIDSSP-KRWDZBQOSA-N 2 1 337.458 3.306 20 10 EGCDMP Cc1c(O)ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1O ZINC001140744164 1378128285 /nfs/dbraw/zinc/12/82/85/1378128285.db2.gz NQENSIRYPOMXMX-HZPDHXFCSA-N 2 1 344.480 3.032 20 10 EGCDMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(C(F)(F)F)ccc1O)CC2 ZINC001276837382 1378189018 /nfs/dbraw/zinc/18/90/18/1378189018.db2.gz AHPPPSZKRMWMHE-UHFFFAOYSA-N 2 1 328.378 3.329 20 10 EGCDMP Oc1cc2ccccc2cc1CNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001171404355 1384513890 /nfs/dbraw/zinc/51/38/90/1384513890.db2.gz AYTQQCMORJPCDH-UHFFFAOYSA-N 2 1 344.418 3.492 20 10 EGCDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC001340513665 1390302624 /nfs/dbraw/zinc/30/26/24/1390302624.db2.gz HQFPTOJVTRONKF-DLBZAZTESA-N 2 1 349.494 3.045 20 10 EGCDMP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185145059 455509802 /nfs/dbraw/zinc/50/98/02/455509802.db2.gz VQJPFZMSEPUIES-HNNXBMFYSA-N 2 1 332.488 3.032 20 10 EGCDMP COc1ccc(O)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000279483681 455865338 /nfs/dbraw/zinc/86/53/38/455865338.db2.gz UDYYGOFXHALDBI-UHFFFAOYSA-N 2 1 341.455 3.313 20 10 EGCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(OCC)c1O ZINC000290440719 456328664 /nfs/dbraw/zinc/32/86/64/456328664.db2.gz LUWYVMIUONRCCM-UHFFFAOYSA-N 2 1 331.460 3.462 20 10 EGCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(OCC)c1O ZINC000290440719 456328671 /nfs/dbraw/zinc/32/86/71/456328671.db2.gz LUWYVMIUONRCCM-UHFFFAOYSA-N 2 1 331.460 3.462 20 10 EGCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000742374696 576775535 /nfs/dbraw/zinc/77/55/35/576775535.db2.gz CXOWXDPJFUUKQF-NVXWUHKLSA-N 2 1 346.475 3.157 20 10 EGCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000742374696 576775536 /nfs/dbraw/zinc/77/55/36/576775536.db2.gz CXOWXDPJFUUKQF-NVXWUHKLSA-N 2 1 346.475 3.157 20 10 EGCDMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Br)cc3O)CC[C@@H]21 ZINC000691681814 1298136389 /nfs/dbraw/zinc/13/63/89/1298136389.db2.gz YNKLEKPQSLQXPI-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Br)cc3O)CC[C@@H]21 ZINC000691681814 1298136395 /nfs/dbraw/zinc/13/63/95/1298136395.db2.gz YNKLEKPQSLQXPI-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Br)cc3O)CC[C@@H]21 ZINC000691681814 1298136400 /nfs/dbraw/zinc/13/64/00/1298136400.db2.gz YNKLEKPQSLQXPI-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)cc3O)CC[C@@H]21 ZINC000691681814 1298136403 /nfs/dbraw/zinc/13/64/03/1298136403.db2.gz YNKLEKPQSLQXPI-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CCC[C@H]2CN(Cc3c(O)cccc3Br)CC[C@H]21 ZINC000707145832 1298226362 /nfs/dbraw/zinc/22/63/62/1298226362.db2.gz IBWMIELMARJPMP-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(O)cccc3Br)CC[C@H]21 ZINC000707145832 1298226372 /nfs/dbraw/zinc/22/63/72/1298226372.db2.gz IBWMIELMARJPMP-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(O)cccc3Br)CC[C@H]21 ZINC000707145832 1298226383 /nfs/dbraw/zinc/22/63/83/1298226383.db2.gz IBWMIELMARJPMP-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(O)cccc3Br)CC[C@H]21 ZINC000707145832 1298226397 /nfs/dbraw/zinc/22/63/97/1298226397.db2.gz IBWMIELMARJPMP-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(O)cccc3Br)CC[C@H]21 ZINC000707145832 1298226403 /nfs/dbraw/zinc/22/64/03/1298226403.db2.gz IBWMIELMARJPMP-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1c(O)cccc1F ZINC000886518671 1303483940 /nfs/dbraw/zinc/48/39/40/1303483940.db2.gz CAKROVIYXCNWKT-CQSZACIVSA-N 2 1 332.419 3.323 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]3Cc3ccccc3)cc2)CC1 ZINC000775725978 1304021690 /nfs/dbraw/zinc/02/16/90/1304021690.db2.gz SONVGRBQSMLNIK-QFIPXVFZSA-N 2 1 335.495 3.255 20 10 EGCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816516997 1319173655 /nfs/dbraw/zinc/17/36/55/1319173655.db2.gz ZSBCSPHMKXWMCM-IBGZPJMESA-N 2 1 342.483 3.478 20 10 EGCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2ccccc2c1O ZINC000816521786 1319175189 /nfs/dbraw/zinc/17/51/89/1319175189.db2.gz YPMAIRGXWPHJIO-YZGWKJHDSA-N 2 1 340.467 3.229 20 10 EGCDMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000915226378 1319448273 /nfs/dbraw/zinc/44/82/73/1319448273.db2.gz JBBWFQNHLUGCIH-UHFFFAOYSA-N 2 1 348.491 3.405 20 10 EGCDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000915226378 1319448275 /nfs/dbraw/zinc/44/82/75/1319448275.db2.gz JBBWFQNHLUGCIH-UHFFFAOYSA-N 2 1 348.491 3.405 20 10 EGCDMP CC[NH2+]CC1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000843055494 1321463316 /nfs/dbraw/zinc/46/33/16/1321463316.db2.gz KQKWQBKSWYPTHC-UHFFFAOYSA-N 2 1 341.293 3.285 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000843059510 1321464318 /nfs/dbraw/zinc/46/43/18/1321464318.db2.gz NOMSNVMKQIREFR-LNSITVRQSA-N 2 1 339.277 3.022 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000843059510 1321464320 /nfs/dbraw/zinc/46/43/20/1321464320.db2.gz NOMSNVMKQIREFR-LNSITVRQSA-N 2 1 339.277 3.022 20 10 EGCDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2c(O)cccc2Br)C1 ZINC000862368106 1329478659 /nfs/dbraw/zinc/47/86/59/1329478659.db2.gz COQIQVJNDRDDQA-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2c(O)cccc2Br)C1 ZINC000862368106 1329478660 /nfs/dbraw/zinc/47/86/60/1329478660.db2.gz COQIQVJNDRDDQA-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2c(O)cccc2Br)C1 ZINC000862368106 1329478661 /nfs/dbraw/zinc/47/86/61/1329478661.db2.gz COQIQVJNDRDDQA-WFASDCNBSA-N 2 1 339.277 3.071 20 10 EGCDMP Clc1ccc2c(c1)C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001204855050 1370591107 /nfs/dbraw/zinc/59/11/07/1370591107.db2.gz YJPYYICWEKNNRO-UHFFFAOYSA-N 2 1 341.886 3.308 20 10 EGCDMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC001205109497 1370652643 /nfs/dbraw/zinc/65/26/43/1370652643.db2.gz HCNNWJOMXUVSGK-SFHVURJKSA-N 2 1 326.440 3.284 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC[C@H]1C[NH3+] ZINC001205626944 1370815876 /nfs/dbraw/zinc/81/58/76/1370815876.db2.gz KVMUAKRMKKJCPX-UZLBHIALSA-N 2 1 327.516 3.192 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC[C@H]1C[NH3+] ZINC001205651449 1370829201 /nfs/dbraw/zinc/82/92/01/1370829201.db2.gz FIBRTIBWTWJOPQ-CABCVRRESA-N 2 1 330.472 3.383 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)cc2F)CC1 ZINC001116440217 1370911969 /nfs/dbraw/zinc/91/19/69/1370911969.db2.gz BIUHJFWABZKTHE-PKOBYXMFSA-N 2 1 331.479 3.342 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]4CCC[C@H]43)cc2F)CC1 ZINC001116440217 1370911971 /nfs/dbraw/zinc/91/19/71/1370911971.db2.gz BIUHJFWABZKTHE-PKOBYXMFSA-N 2 1 331.479 3.342 20 10 EGCDMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(O)cc1Br ZINC001206037099 1370946313 /nfs/dbraw/zinc/94/63/13/1370946313.db2.gz UPDWJUAXDXXGDC-QWHCGFSZSA-N 2 1 341.293 3.270 20 10 EGCDMP C[C@H]1C[NH2+]CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001206277386 1371010902 /nfs/dbraw/zinc/01/09/02/1371010902.db2.gz TUVGDYHNXNRJAG-LBPRGKRZSA-N 2 1 349.272 3.349 20 10 EGCDMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001206755430 1371154791 /nfs/dbraw/zinc/15/47/91/1371154791.db2.gz IBPJSTFNFSWHFW-UHFFFAOYSA-N 2 1 332.394 3.163 20 10 EGCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)Cc1cccc2cccnc21 ZINC001235727954 1376886445 /nfs/dbraw/zinc/88/64/45/1376886445.db2.gz WEJDEQSRIQEZHV-UHFFFAOYSA-N 2 1 346.478 3.276 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3C(C)(C)OC)cc2)CC1 ZINC001140304431 1378042888 /nfs/dbraw/zinc/04/28/88/1378042888.db2.gz PCDVSAZFZHCOIS-FQEVSTJZSA-N 2 1 345.531 3.218 20 10 EGCDMP Cc1c[nH+]c(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1N ZINC001155640630 1380477775 /nfs/dbraw/zinc/47/77/75/1380477775.db2.gz JSZFNOMOZUHLJB-GMLUQMLDSA-N 2 1 338.499 3.372 20 10 EGCDMP C[C@H](C1CC1)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001319688432 1386252757 /nfs/dbraw/zinc/25/27/57/1386252757.db2.gz IMNHRYSVHVBSTQ-OAHLLOKOSA-N 2 1 331.479 3.340 20 10 EGCDMP C[C@H](C1CC1)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001319688432 1386252759 /nfs/dbraw/zinc/25/27/59/1386252759.db2.gz IMNHRYSVHVBSTQ-OAHLLOKOSA-N 2 1 331.479 3.340 20 10 EGCDMP CC[C@H](CSC)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329847304 1389236458 /nfs/dbraw/zinc/23/64/58/1389236458.db2.gz DOXCGXQNONCURS-MRXNPFEDSA-N 2 1 339.524 3.151 20 10 EGCDMP CC[C@H](CSC)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329847304 1389236462 /nfs/dbraw/zinc/23/64/62/1389236462.db2.gz DOXCGXQNONCURS-MRXNPFEDSA-N 2 1 339.524 3.151 20 10 EGCDMP COc1ccc(N2CCC([NH2+][C@H]3CCCC[C@@H]3[NH+](C)C)CC2)cc1 ZINC001340525753 1390305930 /nfs/dbraw/zinc/30/59/30/1390305930.db2.gz DNKQDSWLYMLIGE-PMACEKPBSA-N 2 1 331.504 3.126 20 10 EGCDMP Cc1cc(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1O ZINC000290320615 456291174 /nfs/dbraw/zinc/29/11/74/456291174.db2.gz CYHSZPVKBRXJQL-SWLSCSKDSA-N 2 1 341.293 3.235 20 10 EGCDMP Cc1cc(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1O ZINC000290320615 456291182 /nfs/dbraw/zinc/29/11/82/456291182.db2.gz CYHSZPVKBRXJQL-SWLSCSKDSA-N 2 1 341.293 3.235 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290320615 456291190 /nfs/dbraw/zinc/29/11/90/456291190.db2.gz CYHSZPVKBRXJQL-SWLSCSKDSA-N 2 1 341.293 3.235 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290320615 456291198 /nfs/dbraw/zinc/29/11/98/456291198.db2.gz CYHSZPVKBRXJQL-SWLSCSKDSA-N 2 1 341.293 3.235 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000378371882 457394015 /nfs/dbraw/zinc/39/40/15/457394015.db2.gz QHHMQJLILVDUHI-NJDAHSKKSA-N 2 1 345.531 3.216 20 10 EGCDMP Cc1c2ccccc2n(C)c1C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425897313 457649308 /nfs/dbraw/zinc/64/93/08/457649308.db2.gz TWYCYRMEUNIQSX-UHFFFAOYSA-N 2 1 338.455 3.232 20 10 EGCDMP CC[NH+](CC)CCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743503143 576810650 /nfs/dbraw/zinc/81/06/50/576810650.db2.gz HMSITIZUSZZPRR-UHFFFAOYSA-N 2 1 348.491 3.407 20 10 EGCDMP COc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1O ZINC000092587999 1292876748 /nfs/dbraw/zinc/87/67/48/1292876748.db2.gz YTWWRUWCNVDKBN-IAGOWNOFSA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1O ZINC000092587999 1292876763 /nfs/dbraw/zinc/87/67/63/1292876763.db2.gz YTWWRUWCNVDKBN-IAGOWNOFSA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1O ZINC000092587999 1292876778 /nfs/dbraw/zinc/87/67/78/1292876778.db2.gz YTWWRUWCNVDKBN-IAGOWNOFSA-N 2 1 332.488 3.487 20 10 EGCDMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834908440 1293173480 /nfs/dbraw/zinc/17/34/80/1293173480.db2.gz DWMFFOZVAPABRE-MRXNPFEDSA-N 2 1 349.494 3.187 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)c2c1 ZINC000164652851 1294351595 /nfs/dbraw/zinc/35/15/95/1294351595.db2.gz HMIMPRNQXGUVLI-UZLBHIALSA-N 2 1 340.467 3.470 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2c1 ZINC000164652851 1294351602 /nfs/dbraw/zinc/35/16/02/1294351602.db2.gz HMIMPRNQXGUVLI-UZLBHIALSA-N 2 1 340.467 3.470 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2c1 ZINC000164652851 1294351609 /nfs/dbraw/zinc/35/16/09/1294351609.db2.gz HMIMPRNQXGUVLI-UZLBHIALSA-N 2 1 340.467 3.470 20 10 EGCDMP Oc1ccc2ccncc2c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000772827794 1303583492 /nfs/dbraw/zinc/58/34/92/1303583492.db2.gz KAITVLSAWLBYRM-UZLBHIALSA-N 2 1 337.467 3.389 20 10 EGCDMP Oc1ccc2ccncc2c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000772827794 1303583500 /nfs/dbraw/zinc/58/35/00/1303583500.db2.gz KAITVLSAWLBYRM-UZLBHIALSA-N 2 1 337.467 3.389 20 10 EGCDMP Oc1ccc2ccncc2c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000772827794 1303583510 /nfs/dbraw/zinc/58/35/10/1303583510.db2.gz KAITVLSAWLBYRM-UZLBHIALSA-N 2 1 337.467 3.389 20 10 EGCDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)ccc1O ZINC000775504475 1303975240 /nfs/dbraw/zinc/97/52/40/1303975240.db2.gz YIGBGAVMIYHBKF-WBVHZDCISA-N 2 1 340.895 3.323 20 10 EGCDMP COc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c(O)c1OC ZINC000892461993 1305385359 /nfs/dbraw/zinc/38/53/59/1305385359.db2.gz LMCVHUKUMWGFHJ-UHFFFAOYSA-N 2 1 344.455 3.021 20 10 EGCDMP COc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c(O)c1OC ZINC000892461993 1305385367 /nfs/dbraw/zinc/38/53/67/1305385367.db2.gz LMCVHUKUMWGFHJ-UHFFFAOYSA-N 2 1 344.455 3.021 20 10 EGCDMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc2ccccc2c1O ZINC000799726272 1310606562 /nfs/dbraw/zinc/60/65/62/1310606562.db2.gz MJPBNYGWFNGWBP-MRXNPFEDSA-N 2 1 341.499 3.222 20 10 EGCDMP COc1ccc(N2CCC([NH2+]CC[N@@H+]3CCCC3(C)C)CC2)cc1 ZINC000825327505 1320328943 /nfs/dbraw/zinc/32/89/43/1320328943.db2.gz SNUVLCILYSEYRE-UHFFFAOYSA-N 2 1 331.504 3.128 20 10 EGCDMP COc1ccc(N2CCC([NH2+]CC[N@H+]3CCCC3(C)C)CC2)cc1 ZINC000825327505 1320328944 /nfs/dbraw/zinc/32/89/44/1320328944.db2.gz SNUVLCILYSEYRE-UHFFFAOYSA-N 2 1 331.504 3.128 20 10 EGCDMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000808732919 1317725849 /nfs/dbraw/zinc/72/58/49/1317725849.db2.gz PCQPUBGDKNWJFQ-KRWDZBQOSA-N 2 1 333.520 3.374 20 10 EGCDMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000808732919 1317725853 /nfs/dbraw/zinc/72/58/53/1317725853.db2.gz PCQPUBGDKNWJFQ-KRWDZBQOSA-N 2 1 333.520 3.374 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000841029425 1321203150 /nfs/dbraw/zinc/20/31/50/1321203150.db2.gz GYPXBYVJKAICSE-RISCZKNCSA-N 2 1 327.266 3.070 20 10 EGCDMP COc1ccc(N2CCC([NH2+][C@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000841039105 1321206615 /nfs/dbraw/zinc/20/66/15/1321206615.db2.gz ALFIQGICCLDSHG-HXUWFJFHSA-N 2 1 331.504 3.161 20 10 EGCDMP [NH3+]C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000841086826 1321215968 /nfs/dbraw/zinc/21/59/68/1321215968.db2.gz MVVHNBUWTFZQAX-QGZVFWFLSA-N 2 1 346.475 3.192 20 10 EGCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000843044929 1321460519 /nfs/dbraw/zinc/46/05/19/1321460519.db2.gz MMLMGUMKGDEYTR-SFHVURJKSA-N 2 1 340.467 3.403 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1O ZINC000843118991 1321473027 /nfs/dbraw/zinc/47/30/27/1321473027.db2.gz RXUXFJJLRWBVDM-INIZCTEOSA-N 2 1 339.277 3.039 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1O ZINC000843118991 1321473030 /nfs/dbraw/zinc/47/30/30/1321473030.db2.gz RXUXFJJLRWBVDM-INIZCTEOSA-N 2 1 339.277 3.039 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000844902227 1321655988 /nfs/dbraw/zinc/65/59/88/1321655988.db2.gz MCWUYLKMKGZZMY-ZJOUEHCJSA-N 2 1 345.531 3.251 20 10 EGCDMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000850034597 1322186523 /nfs/dbraw/zinc/18/65/23/1322186523.db2.gz IEMSJYSDYSTAQT-CVEARBPZSA-N 2 1 332.488 3.415 20 10 EGCDMP C[NH+]1CCC2(CCC[N@H+]2Cc2c(O)cccc2Br)CC1 ZINC000862334949 1329475847 /nfs/dbraw/zinc/47/58/47/1329475847.db2.gz UUCDHFXFXKDNRY-UHFFFAOYSA-N 2 1 339.277 3.215 20 10 EGCDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2c(O)cccc2Br)C1 ZINC000862368102 1329478696 /nfs/dbraw/zinc/47/86/96/1329478696.db2.gz COQIQVJNDRDDQA-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2c(O)cccc2Br)C1 ZINC000862368102 1329478698 /nfs/dbraw/zinc/47/86/98/1329478698.db2.gz COQIQVJNDRDDQA-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2c(O)cccc2Br)C1 ZINC000862368102 1329478699 /nfs/dbraw/zinc/47/86/99/1329478699.db2.gz COQIQVJNDRDDQA-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP Oc1ccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1O ZINC001203883019 1370298660 /nfs/dbraw/zinc/29/86/60/1370298660.db2.gz ZTCIUYZLXYSAFT-OAQYLSRUSA-N 2 1 338.451 3.196 20 10 EGCDMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC001205109495 1370653359 /nfs/dbraw/zinc/65/33/59/1370653359.db2.gz HCNNWJOMXUVSGK-GOSISDBHSA-N 2 1 326.440 3.284 20 10 EGCDMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001205332516 1370723450 /nfs/dbraw/zinc/72/34/50/1370723450.db2.gz QTAOQEDZORHZMU-LBPRGKRZSA-N 2 1 349.272 3.492 20 10 EGCDMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001205333268 1370724378 /nfs/dbraw/zinc/72/43/78/1370724378.db2.gz YYOCOKLTJXUUDT-MRXNPFEDSA-N 2 1 326.440 3.155 20 10 EGCDMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001205333268 1370724380 /nfs/dbraw/zinc/72/43/80/1370724380.db2.gz YYOCOKLTJXUUDT-MRXNPFEDSA-N 2 1 326.440 3.155 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1Br ZINC001205914796 1370908669 /nfs/dbraw/zinc/90/86/69/1370908669.db2.gz NTDUGFZXQNTMBM-RYUDHWBXSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1Br ZINC001205914796 1370908672 /nfs/dbraw/zinc/90/86/72/1370908672.db2.gz NTDUGFZXQNTMBM-RYUDHWBXSA-N 2 1 327.266 3.022 20 10 EGCDMP C[C@@H]([NH3+])c1ccc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001118018339 1371122282 /nfs/dbraw/zinc/12/22/82/1371122282.db2.gz GZLNCBNBJDWBRZ-OAHLLOKOSA-N 2 1 342.462 3.209 20 10 EGCDMP Oc1ccc2cc(Br)ccc2c1C[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222380030 1373829882 /nfs/dbraw/zinc/82/98/82/1373829882.db2.gz QPXDKIWESHAUTJ-UHFFFAOYSA-N 2 1 347.256 3.103 20 10 EGCDMP CCC[N@H+](Cc1cc(Br)c(C)cc1O)C[C@H]1CC[NH2+]C1 ZINC001236845068 1376966679 /nfs/dbraw/zinc/96/66/79/1376966679.db2.gz YPCBWVADBTUNIG-ZDUSSCGKSA-N 2 1 341.293 3.285 20 10 EGCDMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(N(CC)CC)cc3OC)C[C@@H]2C1 ZINC001138392244 1377714532 /nfs/dbraw/zinc/71/45/32/1377714532.db2.gz UASNSQCWSKHHHN-OALUTQOASA-N 2 1 345.531 3.315 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4CCCC[C@H]4C3)cc2)CC1 ZINC001139412025 1377880571 /nfs/dbraw/zinc/88/05/71/1377880571.db2.gz BLBDCSCEKPNCEG-UXHICEINSA-N 2 1 327.516 3.451 20 10 EGCDMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001167826111 1383749955 /nfs/dbraw/zinc/74/99/55/1383749955.db2.gz MGWDNUOPASSZED-IBGZPJMESA-N 2 1 347.547 3.466 20 10 EGCDMP CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NCC[C@@H](C)[NH3+])N=[N+]=[N-] ZINC001170888816 1384406489 /nfs/dbraw/zinc/40/64/89/1384406489.db2.gz DGIPGBXTHFKUHL-RLIURORJSA-N 2 1 332.408 3.062 20 10 EGCDMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC001348447489 1391220984 /nfs/dbraw/zinc/22/09/84/1391220984.db2.gz QDKJGHKUUJZJRM-WBVHZDCISA-N 2 1 341.421 3.246 20 10 EGCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC001348447489 1391220988 /nfs/dbraw/zinc/22/09/88/1391220988.db2.gz QDKJGHKUUJZJRM-WBVHZDCISA-N 2 1 341.421 3.246 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000273440185 456231137 /nfs/dbraw/zinc/23/11/37/456231137.db2.gz YGISTQKLZRFXFR-LBPRGKRZSA-N 2 1 334.460 3.139 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000367767576 457978943 /nfs/dbraw/zinc/97/89/43/457978943.db2.gz BOAQTORIOAHUJA-GJZGRUSLSA-N 2 1 339.277 3.180 20 10 EGCDMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Br)ccc2O)C1 ZINC000368131634 458014365 /nfs/dbraw/zinc/01/43/65/458014365.db2.gz AXWPYUDAGGQHLK-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Br)ccc2O)C1 ZINC000368131634 458014371 /nfs/dbraw/zinc/01/43/71/458014371.db2.gz AXWPYUDAGGQHLK-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(Br)ccc2O)C1 ZINC000368131634 458014380 /nfs/dbraw/zinc/01/43/80/458014380.db2.gz AXWPYUDAGGQHLK-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(Br)ccc2O)C1 ZINC000368131634 458014385 /nfs/dbraw/zinc/01/43/85/458014385.db2.gz AXWPYUDAGGQHLK-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP CC[NH+]1CCC([N@H+](C)Cc2cc(Br)cc(C)c2O)CC1 ZINC000158025157 1294193968 /nfs/dbraw/zinc/19/39/68/1294193968.db2.gz RRJAIOYQZNUOAY-UHFFFAOYSA-N 2 1 341.293 3.379 20 10 EGCDMP CC[NH+]1CCC([N@@H+](C)Cc2cc(Br)cc(C)c2O)CC1 ZINC000158025157 1294193971 /nfs/dbraw/zinc/19/39/71/1294193971.db2.gz RRJAIOYQZNUOAY-UHFFFAOYSA-N 2 1 341.293 3.379 20 10 EGCDMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(O)cc1C ZINC000160459285 1294268752 /nfs/dbraw/zinc/26/87/52/1294268752.db2.gz DIHFFPCDYQKTTG-CRAIPNDOSA-N 2 1 330.472 3.158 20 10 EGCDMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(O)cc1C ZINC000160459285 1294268759 /nfs/dbraw/zinc/26/87/59/1294268759.db2.gz DIHFFPCDYQKTTG-CRAIPNDOSA-N 2 1 330.472 3.158 20 10 EGCDMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(O)cc1C ZINC000160459285 1294268765 /nfs/dbraw/zinc/26/87/65/1294268765.db2.gz DIHFFPCDYQKTTG-CRAIPNDOSA-N 2 1 330.472 3.158 20 10 EGCDMP COc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1O ZINC000708548662 1298243727 /nfs/dbraw/zinc/24/37/27/1298243727.db2.gz BUKWYEBFERMKPH-APWZRJJASA-N 2 1 340.467 3.259 20 10 EGCDMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756408103 1300485794 /nfs/dbraw/zinc/48/57/94/1300485794.db2.gz JXSAAWPDUUYNDH-NVXWUHKLSA-N 2 1 349.494 3.087 20 10 EGCDMP CCN(C)c1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000765977009 1302360900 /nfs/dbraw/zinc/36/09/00/1302360900.db2.gz PFQORJPRKYSURW-UWJYYQICSA-N 2 1 345.531 3.437 20 10 EGCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1O ZINC000883290262 1302369971 /nfs/dbraw/zinc/36/99/71/1302369971.db2.gz PNAPMECGNHYFQW-OAHLLOKOSA-N 2 1 343.446 3.134 20 10 EGCDMP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1O ZINC000769133882 1303053358 /nfs/dbraw/zinc/05/33/58/1303053358.db2.gz MSZOMXXOXISAFZ-FXAWDEMLSA-N 2 1 339.483 3.032 20 10 EGCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1c(O)cccc1F ZINC000886651531 1303539788 /nfs/dbraw/zinc/53/97/88/1303539788.db2.gz IXBBFXRSMUUWPJ-HNNXBMFYSA-N 2 1 343.446 3.134 20 10 EGCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccc(F)cc1F ZINC000775648032 1304004055 /nfs/dbraw/zinc/00/40/55/1304004055.db2.gz NCLSUWCNINQVQO-UHFFFAOYSA-N 2 1 345.437 3.349 20 10 EGCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccc(F)cc1F ZINC000775648032 1304004063 /nfs/dbraw/zinc/00/40/63/1304004063.db2.gz NCLSUWCNINQVQO-UHFFFAOYSA-N 2 1 345.437 3.349 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCS[C@H]4CCCC[C@@H]43)cc2)CC1 ZINC000775725223 1304022353 /nfs/dbraw/zinc/02/23/53/1304022353.db2.gz QVLXVTFPROXQTJ-PMACEKPBSA-N 2 1 345.556 3.298 20 10 EGCDMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000792914733 1309258188 /nfs/dbraw/zinc/25/81/88/1309258188.db2.gz DXSFSKDFXGCAJB-SJORKVTESA-N 2 1 341.421 3.488 20 10 EGCDMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000792914733 1309258198 /nfs/dbraw/zinc/25/81/98/1309258198.db2.gz DXSFSKDFXGCAJB-SJORKVTESA-N 2 1 341.421 3.488 20 10 EGCDMP COc1cccc(O)c1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798498470 1310372999 /nfs/dbraw/zinc/37/29/99/1310372999.db2.gz CDQFHTBLEVKESX-OAQYLSRUSA-N 2 1 340.467 3.403 20 10 EGCDMP Cc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(O)c1 ZINC000815579965 1319020621 /nfs/dbraw/zinc/02/06/21/1319020621.db2.gz ZQNFLOWTWQNGAA-WMZOPIPTSA-N 2 1 332.488 3.303 20 10 EGCDMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)c2ccccc21 ZINC000817887894 1319452030 /nfs/dbraw/zinc/45/20/30/1319452030.db2.gz GOMYVYFBIQASTR-WOJBJXKFSA-N 2 1 339.508 3.474 20 10 EGCDMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(C(F)(F)F)c1O ZINC000817987385 1319486941 /nfs/dbraw/zinc/48/69/41/1319486941.db2.gz TWPDWLAMAWNWIC-WUHRBBMRSA-N 2 1 328.378 3.450 20 10 EGCDMP C[C@@H]1CC2(C[N@@H+]1Cc1cccc(Br)c1O)CC[NH2+]CC2 ZINC000818431148 1319541050 /nfs/dbraw/zinc/54/10/50/1319541050.db2.gz GSCNQKNOTXRUMU-GFCCVEGCSA-N 2 1 339.277 3.119 20 10 EGCDMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(Br)c1O)CC[NH2+]CC2 ZINC000818431148 1319541059 /nfs/dbraw/zinc/54/10/59/1319541059.db2.gz GSCNQKNOTXRUMU-GFCCVEGCSA-N 2 1 339.277 3.119 20 10 EGCDMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000841088169 1321216929 /nfs/dbraw/zinc/21/69/29/1321216929.db2.gz ZFZDUTBYVUFRRR-IBGZPJMESA-N 2 1 328.456 3.434 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000843128945 1321474474 /nfs/dbraw/zinc/47/44/74/1321474474.db2.gz ZWWVIEMKZDNASU-UHFFFAOYSA-N 2 1 339.277 3.039 20 10 EGCDMP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1O ZINC000843387828 1321509951 /nfs/dbraw/zinc/50/99/51/1321509951.db2.gz JBZUFSYKWKPSOK-KGLIPLIRSA-N 2 1 336.863 3.070 20 10 EGCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1O ZINC000843387828 1321509954 /nfs/dbraw/zinc/50/99/54/1321509954.db2.gz JBZUFSYKWKPSOK-KGLIPLIRSA-N 2 1 336.863 3.070 20 10 EGCDMP CCOCc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC ZINC000853093111 1323278580 /nfs/dbraw/zinc/27/85/80/1323278580.db2.gz CHLCCMPXTHVLOD-LJQANCHMSA-N 2 1 346.515 3.443 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206025816 1370942294 /nfs/dbraw/zinc/94/22/94/1370942294.db2.gz PJOMKXCHGXGBET-STQMWFEESA-N 2 1 341.293 3.270 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206025816 1370942295 /nfs/dbraw/zinc/94/22/95/1370942295.db2.gz PJOMKXCHGXGBET-STQMWFEESA-N 2 1 341.293 3.270 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC[C@@H]1C[NH3+] ZINC001206003464 1370935759 /nfs/dbraw/zinc/93/57/59/1370935759.db2.gz IHENVTNLAGFTDI-OXQOHEQNSA-N 2 1 327.516 3.192 20 10 EGCDMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(O)cc1Br ZINC001206037095 1370946174 /nfs/dbraw/zinc/94/61/74/1370946174.db2.gz UPDWJUAXDXXGDC-OLZOCXBDSA-N 2 1 341.293 3.270 20 10 EGCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1cccc(O)c1 ZINC001326562212 1388240441 /nfs/dbraw/zinc/24/04/41/1388240441.db2.gz RAIYBJSDCMFAAL-HNNXBMFYSA-N 2 1 343.446 3.134 20 10 EGCDMP COc1cc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)c(O)cc1O ZINC001231638610 1376289133 /nfs/dbraw/zinc/28/91/33/1376289133.db2.gz ABTILRSUJABPAU-UHFFFAOYSA-N 2 1 348.487 3.335 20 10 EGCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235033278 1376833100 /nfs/dbraw/zinc/83/31/00/1376833100.db2.gz XCIHIBBTXHDLGH-BLLLJJGKSA-N 2 1 347.256 3.102 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccco3)C3CC3)cc2)CC1 ZINC001139410931 1377880604 /nfs/dbraw/zinc/88/06/04/1377880604.db2.gz MMGMNWGATFPAJJ-UHFFFAOYSA-N 2 1 325.456 3.196 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4CCCC[C@@H]4C3)cc2)CC1 ZINC001139410738 1377880662 /nfs/dbraw/zinc/88/06/62/1377880662.db2.gz BLBDCSCEKPNCEG-WOJBJXKFSA-N 2 1 327.516 3.451 20 10 EGCDMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140925851 1378183125 /nfs/dbraw/zinc/18/31/25/1378183125.db2.gz FGIWUURRGNFSGW-UHFFFAOYSA-N 2 1 344.890 3.432 20 10 EGCDMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)cc1O ZINC000185231927 455525487 /nfs/dbraw/zinc/52/54/87/455525487.db2.gz RTQQIDIJINDKGK-CQSZACIVSA-N 2 1 332.419 3.323 20 10 EGCDMP COc1ccc(N2CCC([NH2+]C[C@@H](C)Cn3cc[nH+]c3C)CC2)cc1 ZINC000370633869 457687322 /nfs/dbraw/zinc/68/73/22/457687322.db2.gz JBKWVBZBDNWGIE-MRXNPFEDSA-N 2 1 342.487 3.095 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)c2c1 ZINC000247099020 1296382592 /nfs/dbraw/zinc/38/25/92/1296382592.db2.gz YBAHTQMKKLPASR-OXJNMPFZSA-N 2 1 340.467 3.470 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@H]43)c2c1 ZINC000247099020 1296382604 /nfs/dbraw/zinc/38/26/04/1296382604.db2.gz YBAHTQMKKLPASR-OXJNMPFZSA-N 2 1 340.467 3.470 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@H]43)c2c1 ZINC000247099020 1296382612 /nfs/dbraw/zinc/38/26/12/1296382612.db2.gz YBAHTQMKKLPASR-OXJNMPFZSA-N 2 1 340.467 3.470 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)c1 ZINC000756431702 1300490524 /nfs/dbraw/zinc/49/05/24/1300490524.db2.gz OORUXZXQKKQVFZ-MRXNPFEDSA-N 2 1 348.487 3.342 20 10 EGCDMP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000762648459 1301721293 /nfs/dbraw/zinc/72/12/93/1301721293.db2.gz IZWKVLOXIFDFCC-FMKPAKJESA-N 2 1 336.451 3.170 20 10 EGCDMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000762648459 1301721298 /nfs/dbraw/zinc/72/12/98/1301721298.db2.gz IZWKVLOXIFDFCC-FMKPAKJESA-N 2 1 336.451 3.170 20 10 EGCDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816516851 1319173079 /nfs/dbraw/zinc/17/30/79/1319173079.db2.gz TWIXVBFRKQQKFH-CQSZACIVSA-N 2 1 344.858 3.117 20 10 EGCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816516851 1319173088 /nfs/dbraw/zinc/17/30/88/1319173088.db2.gz TWIXVBFRKQQKFH-CQSZACIVSA-N 2 1 344.858 3.117 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000817415993 1319355351 /nfs/dbraw/zinc/35/53/51/1319355351.db2.gz GLCMWHCIFUJFQK-UHFFFAOYSA-N 2 1 341.293 3.426 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000841031994 1321204436 /nfs/dbraw/zinc/20/44/36/1321204436.db2.gz FUHXODRXCMEQSJ-UHFFFAOYSA-N 2 1 349.272 3.254 20 10 EGCDMP C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000843054718 1321462716 /nfs/dbraw/zinc/46/27/16/1321462716.db2.gz CXRMPBGRMWDYQL-UHFFFAOYSA-N 2 1 346.475 3.287 20 10 EGCDMP CN(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C(F)(F)F)c1 ZINC000843119749 1321473035 /nfs/dbraw/zinc/47/30/35/1321473035.db2.gz GZDKBXQEDQMBTG-UHFFFAOYSA-N 2 1 341.421 3.347 20 10 EGCDMP c1cc(N2CCCCC2)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848526476 1321969281 /nfs/dbraw/zinc/96/92/81/1321969281.db2.gz YQAYCBUXWSXFAI-OAQYLSRUSA-N 2 1 343.515 3.020 20 10 EGCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)C1(F)F ZINC000862438406 1329487124 /nfs/dbraw/zinc/48/71/24/1329487124.db2.gz AOHCXGMJZUEQRH-IYBDPMFKSA-N 2 1 337.458 3.162 20 10 EGCDMP Oc1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001203552615 1370167904 /nfs/dbraw/zinc/16/79/04/1370167904.db2.gz OXJRKSSCZLGNQY-UHFFFAOYSA-N 2 1 337.467 3.275 20 10 EGCDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001206547053 1371090329 /nfs/dbraw/zinc/09/03/29/1371090329.db2.gz AZXYRDLWMHQDNW-NRFANRHFSA-N 2 1 343.515 3.042 20 10 EGCDMP CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c(O)c1 ZINC001222391102 1373834191 /nfs/dbraw/zinc/83/41/91/1373834191.db2.gz XVGRMBGKXXSTCA-FQEVSTJZSA-N 2 1 331.504 3.347 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c(O)c1 ZINC001222391102 1373834196 /nfs/dbraw/zinc/83/41/96/1373834196.db2.gz XVGRMBGKXXSTCA-FQEVSTJZSA-N 2 1 331.504 3.347 20 10 EGCDMP Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235943896 1376919889 /nfs/dbraw/zinc/91/98/89/1376919889.db2.gz ZSIFTAQBXFRTFP-WMZOPIPTSA-N 2 1 326.415 3.240 20 10 EGCDMP CCC[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)C[C@H]1CC[NH2+]C1 ZINC001236843439 1376966741 /nfs/dbraw/zinc/96/67/41/1376966741.db2.gz IKBODASKYWICFP-HNNXBMFYSA-N 2 1 330.472 3.398 20 10 EGCDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237058263 1376974105 /nfs/dbraw/zinc/97/41/05/1376974105.db2.gz XLVHCDYGDGTVOQ-UHFFFAOYSA-N 2 1 346.393 3.251 20 10 EGCDMP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c(O)c(OC)c1 ZINC001237676566 1376983361 /nfs/dbraw/zinc/98/33/61/1376983361.db2.gz PZCJMJGNNYEWMA-QGZVFWFLSA-N 2 1 348.487 3.250 20 10 EGCDMP COc1cc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139260682 1377859332 /nfs/dbraw/zinc/85/93/32/1377859332.db2.gz PHGFFOPKXZMTDH-IAGOWNOFSA-N 2 1 332.488 3.475 20 10 EGCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccccc1O ZINC001139412428 1377880472 /nfs/dbraw/zinc/88/04/72/1377880472.db2.gz KIZKAUQRMIPWTK-UHFFFAOYSA-N 2 1 339.483 3.166 20 10 EGCDMP Oc1cc2c(cc1O)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CCC2 ZINC001168002025 1383793115 /nfs/dbraw/zinc/79/31/15/1383793115.db2.gz BWCAAKJIMAELLO-DFNIBXOVSA-N 2 1 342.483 3.251 20 10 EGCDMP Oc1cc2c(cc1O)C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CCC2 ZINC001168002025 1383793117 /nfs/dbraw/zinc/79/31/17/1383793117.db2.gz BWCAAKJIMAELLO-DFNIBXOVSA-N 2 1 342.483 3.251 20 10 EGCDMP Oc1cc2c(cc1O)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CCC2 ZINC001168002025 1383793119 /nfs/dbraw/zinc/79/31/19/1383793119.db2.gz BWCAAKJIMAELLO-DFNIBXOVSA-N 2 1 342.483 3.251 20 10 EGCDMP Oc1cc2c(cc1O)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCC2 ZINC001168002025 1383793122 /nfs/dbraw/zinc/79/31/22/1383793122.db2.gz BWCAAKJIMAELLO-DFNIBXOVSA-N 2 1 342.483 3.251 20 10 EGCDMP C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319946515 1386409601 /nfs/dbraw/zinc/40/96/01/1386409601.db2.gz NOTOSQCPAOWAFC-MRXNPFEDSA-N 2 1 342.462 3.166 20 10 EGCDMP C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319946515 1386409603 /nfs/dbraw/zinc/40/96/03/1386409603.db2.gz NOTOSQCPAOWAFC-MRXNPFEDSA-N 2 1 342.462 3.166 20 10 EGCDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319964570 1386422475 /nfs/dbraw/zinc/42/24/75/1386422475.db2.gz VGQXNUFURDMXOI-FQEVSTJZSA-N 2 1 327.516 3.451 20 10 EGCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319964570 1386422477 /nfs/dbraw/zinc/42/24/77/1386422477.db2.gz VGQXNUFURDMXOI-FQEVSTJZSA-N 2 1 327.516 3.451 20 10 EGCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319964570 1386422480 /nfs/dbraw/zinc/42/24/80/1386422480.db2.gz VGQXNUFURDMXOI-FQEVSTJZSA-N 2 1 327.516 3.451 20 10 EGCDMP C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321208277 1386841800 /nfs/dbraw/zinc/84/18/00/1386841800.db2.gz QXSRFKLNGWYZHC-LBPRGKRZSA-N 2 1 333.373 3.008 20 10 EGCDMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cc2F)C[C@H](C)O1 ZINC000268841066 455715967 /nfs/dbraw/zinc/71/59/67/455715967.db2.gz HTWBEPXUXMJKKR-XLMAVXFVSA-N 2 1 349.494 3.012 20 10 EGCDMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2F)C[C@H](C)O1 ZINC000268841066 455715970 /nfs/dbraw/zinc/71/59/70/455715970.db2.gz HTWBEPXUXMJKKR-XLMAVXFVSA-N 2 1 349.494 3.012 20 10 EGCDMP Oc1ccc(F)cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279467337 455865931 /nfs/dbraw/zinc/86/59/31/455865931.db2.gz RUHBIWPYSUKDEA-UHFFFAOYSA-N 2 1 329.419 3.444 20 10 EGCDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000273128391 456187756 /nfs/dbraw/zinc/18/77/56/456187756.db2.gz BEEONSYZXZVEEH-UHFFFAOYSA-N 2 1 338.451 3.323 20 10 EGCDMP Cc1cc(O)c(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1C(C)C ZINC000738214205 576300625 /nfs/dbraw/zinc/30/06/25/576300625.db2.gz OVACBCXBKYBZFR-IBGZPJMESA-N 2 1 345.531 3.036 20 10 EGCDMP COc1ccc(O)c(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000179884543 1294836363 /nfs/dbraw/zinc/83/63/63/1294836363.db2.gz GJFBPQAMEKBNSD-QGZVFWFLSA-N 2 1 332.488 3.345 20 10 EGCDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000756791744 1300567131 /nfs/dbraw/zinc/56/71/31/1300567131.db2.gz UXMDUDMZSUBSRO-JTQLQIEISA-N 2 1 343.240 3.206 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4scnc43)cc2)CC1 ZINC000883290762 1302369499 /nfs/dbraw/zinc/36/94/99/1302369499.db2.gz GCXRUWGXKOOBSE-KRWDZBQOSA-N 2 1 342.512 3.062 20 10 EGCDMP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1c(O)cccc1F ZINC000886636707 1303534260 /nfs/dbraw/zinc/53/42/60/1303534260.db2.gz SPRLPGWHIWLLCA-OAHLLOKOSA-N 2 1 343.446 3.489 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3ccccn3)cc2)CC1 ZINC000775650475 1304004682 /nfs/dbraw/zinc/00/46/82/1304004682.db2.gz DOLOGUNXPMSYDA-NRFANRHFSA-N 2 1 336.483 3.171 20 10 EGCDMP CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1(C)C ZINC000775716419 1304019279 /nfs/dbraw/zinc/01/92/79/1304019279.db2.gz WRWIMABFOSQAPG-UXHICEINSA-N 2 1 345.531 3.074 20 10 EGCDMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C)cc1O ZINC000794811309 1309599853 /nfs/dbraw/zinc/59/98/53/1309599853.db2.gz WTRRIIFALZVDNS-IEBWSBKVSA-N 2 1 332.488 3.385 20 10 EGCDMP C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C[NH+](C)C ZINC000813877368 1318649105 /nfs/dbraw/zinc/64/91/05/1318649105.db2.gz UCBGTWOWXGQSEP-GJZGRUSLSA-N 2 1 339.911 3.025 20 10 EGCDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc3ccccc3c2O)CCCO1 ZINC000816592585 1319189305 /nfs/dbraw/zinc/18/93/05/1319189305.db2.gz OBLRDDHYRQDEMZ-MRXNPFEDSA-N 2 1 328.456 3.136 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000817984435 1319486880 /nfs/dbraw/zinc/48/68/80/1319486880.db2.gz YCLFPQLYDXTKAP-RDTXWAMCSA-N 2 1 342.439 3.310 20 10 EGCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000843044927 1321460707 /nfs/dbraw/zinc/46/07/07/1321460707.db2.gz MMLMGUMKGDEYTR-GOSISDBHSA-N 2 1 340.467 3.403 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843052016 1321462072 /nfs/dbraw/zinc/46/20/72/1321462072.db2.gz OCJHYFUBQBKJIP-NWDGAFQWSA-N 2 1 327.266 3.022 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000844902228 1321656357 /nfs/dbraw/zinc/65/63/57/1321656357.db2.gz MCWUYLKMKGZZMY-ZVDOUQERSA-N 2 1 345.531 3.251 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)c1 ZINC000866470189 1330116369 /nfs/dbraw/zinc/11/63/69/1330116369.db2.gz UXEQPZAZSWUDOJ-HNNXBMFYSA-N 2 1 348.487 3.340 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205651411 1370828365 /nfs/dbraw/zinc/82/83/65/1370828365.db2.gz DXYPFTFSDMVPPM-QWHCGFSZSA-N 2 1 341.293 3.270 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205651411 1370828370 /nfs/dbraw/zinc/82/83/70/1370828370.db2.gz DXYPFTFSDMVPPM-QWHCGFSZSA-N 2 1 341.293 3.270 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC[C@@H]1C[NH3+] ZINC001205636532 1370821012 /nfs/dbraw/zinc/82/10/12/1370821012.db2.gz DGJFORTZDVARRT-VXGBXAGGSA-N 2 1 332.366 3.098 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC[C@@H]1C[NH3+] ZINC001205651451 1370829228 /nfs/dbraw/zinc/82/92/28/1370829228.db2.gz FIBRTIBWTWJOPQ-HUUCEWRRSA-N 2 1 330.472 3.383 20 10 EGCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)CCC1(F)F ZINC001205789215 1370871541 /nfs/dbraw/zinc/87/15/41/1370871541.db2.gz XPEQPLKQJTWKDB-INIZCTEOSA-N 2 1 332.394 3.475 20 10 EGCDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001206575856 1371098486 /nfs/dbraw/zinc/09/84/86/1371098486.db2.gz ZYCYAPFWZHSCOQ-INIZCTEOSA-N 2 1 346.393 3.284 20 10 EGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237061553 1376974730 /nfs/dbraw/zinc/97/47/30/1376974730.db2.gz INVLHKOYAMVCSV-UHFFFAOYSA-N 2 1 348.409 3.497 20 10 EGCDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337545 1377705625 /nfs/dbraw/zinc/70/56/25/1377705625.db2.gz UDRMMHYWMHISEJ-UHFFFAOYSA-N 2 1 343.515 3.009 20 10 EGCDMP Cc1cscc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320938544 1386764256 /nfs/dbraw/zinc/76/42/56/1386764256.db2.gz RCEMPVOIHWWLQT-UHFFFAOYSA-N 2 1 333.476 3.237 20 10 EGCDMP C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321208276 1386841449 /nfs/dbraw/zinc/84/14/49/1386841449.db2.gz QXSRFKLNGWYZHC-GFCCVEGCSA-N 2 1 333.373 3.008 20 10 EGCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000151139830 454943122 /nfs/dbraw/zinc/94/31/22/454943122.db2.gz WUTSBYNTQHDUCI-IRXDYDNUSA-N 2 1 349.494 3.045 20 10 EGCDMP CCOc1ccc(O)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192920642 455718331 /nfs/dbraw/zinc/71/83/31/455718331.db2.gz YNQUMXWPDCNIGQ-SFHVURJKSA-N 2 1 340.467 3.403 20 10 EGCDMP Oc1ccc2ccncc2c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000742169937 576754918 /nfs/dbraw/zinc/75/49/18/576754918.db2.gz VFCMCUABSFQPDC-MRXNPFEDSA-N 2 1 325.456 3.248 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000756572595 1300524336 /nfs/dbraw/zinc/52/43/36/1300524336.db2.gz GXPDOUXNSKXQLA-INIZCTEOSA-N 2 1 348.487 3.486 20 10 EGCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768466719 1302913574 /nfs/dbraw/zinc/91/35/74/1302913574.db2.gz VGISEZGGKLZOFM-FQEVSTJZSA-N 2 1 346.515 3.204 20 10 EGCDMP COc1cccc(O)c1CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000769148802 1303055815 /nfs/dbraw/zinc/05/58/15/1303055815.db2.gz SDWYVDUNGLGJSR-IRXDYDNUSA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(O)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000769148802 1303055820 /nfs/dbraw/zinc/05/58/20/1303055820.db2.gz SDWYVDUNGLGJSR-IRXDYDNUSA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(O)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000769148802 1303055827 /nfs/dbraw/zinc/05/58/27/1303055827.db2.gz SDWYVDUNGLGJSR-IRXDYDNUSA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(O)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000769148802 1303055835 /nfs/dbraw/zinc/05/58/35/1303055835.db2.gz SDWYVDUNGLGJSR-IRXDYDNUSA-N 2 1 332.488 3.487 20 10 EGCDMP COc1cccc(O)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000769148802 1303055841 /nfs/dbraw/zinc/05/58/41/1303055841.db2.gz SDWYVDUNGLGJSR-IRXDYDNUSA-N 2 1 332.488 3.487 20 10 EGCDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000775664644 1304008917 /nfs/dbraw/zinc/00/89/17/1304008917.db2.gz OFKGUSDVZKONAA-IAGOWNOFSA-N 2 1 332.488 3.487 20 10 EGCDMP COc1ccc(O)c(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000775664644 1304008924 /nfs/dbraw/zinc/00/89/24/1304008924.db2.gz OFKGUSDVZKONAA-IAGOWNOFSA-N 2 1 332.488 3.487 20 10 EGCDMP COc1ccc(O)c(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000775664644 1304008926 /nfs/dbraw/zinc/00/89/26/1304008926.db2.gz OFKGUSDVZKONAA-IAGOWNOFSA-N 2 1 332.488 3.487 20 10 EGCDMP CS[C@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775741250 1304026344 /nfs/dbraw/zinc/02/63/44/1304026344.db2.gz QSXKKMIMMODGIB-IBGZPJMESA-N 2 1 333.545 3.156 20 10 EGCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894478945 1308913353 /nfs/dbraw/zinc/91/33/53/1308913353.db2.gz GKQUOALFONSUCC-UHFFFAOYSA-N 2 1 347.459 3.081 20 10 EGCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894478945 1308913357 /nfs/dbraw/zinc/91/33/57/1308913357.db2.gz GKQUOALFONSUCC-UHFFFAOYSA-N 2 1 347.459 3.081 20 10 EGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1O ZINC000808694577 1317717187 /nfs/dbraw/zinc/71/71/87/1317717187.db2.gz FKGSYGFFSSHDKX-GOEBONIOSA-N 2 1 340.895 3.242 20 10 EGCDMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934846 1320372372 /nfs/dbraw/zinc/37/23/72/1320372372.db2.gz LKCTZPRLGBWOAD-RDTXWAMCSA-N 2 1 334.504 3.470 20 10 EGCDMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934846 1320372373 /nfs/dbraw/zinc/37/23/73/1320372373.db2.gz LKCTZPRLGBWOAD-RDTXWAMCSA-N 2 1 334.504 3.470 20 10 EGCDMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934846 1320372376 /nfs/dbraw/zinc/37/23/76/1320372376.db2.gz LKCTZPRLGBWOAD-RDTXWAMCSA-N 2 1 334.504 3.470 20 10 EGCDMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934846 1320372379 /nfs/dbraw/zinc/37/23/79/1320372379.db2.gz LKCTZPRLGBWOAD-RDTXWAMCSA-N 2 1 334.504 3.470 20 10 EGCDMP CC(C)([NH3+])C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000841029898 1321203233 /nfs/dbraw/zinc/20/32/33/1321203233.db2.gz CXSSTIGSZKTZLZ-UHFFFAOYSA-N 2 1 340.309 3.266 20 10 EGCDMP c1cc(N2CCCCC2)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848526475 1321969497 /nfs/dbraw/zinc/96/94/97/1321969497.db2.gz YQAYCBUXWSXFAI-NRFANRHFSA-N 2 1 343.515 3.020 20 10 EGCDMP CCc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1O ZINC000848891423 1322031347 /nfs/dbraw/zinc/03/13/47/1322031347.db2.gz RYGBUBHLBKICOY-UHFFFAOYSA-N 2 1 340.467 3.077 20 10 EGCDMP [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000862228396 1329468074 /nfs/dbraw/zinc/46/80/74/1329468074.db2.gz BNYOLLSAPYKKSE-NSHDSACASA-N 2 1 336.233 3.257 20 10 EGCDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000863646937 1329570240 /nfs/dbraw/zinc/57/02/40/1329570240.db2.gz SDEAGKIADIXDAH-NVXWUHKLSA-N 2 1 343.437 3.492 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000863646937 1329570241 /nfs/dbraw/zinc/57/02/41/1329570241.db2.gz SDEAGKIADIXDAH-NVXWUHKLSA-N 2 1 343.437 3.492 20 10 EGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001205082204 1370644890 /nfs/dbraw/zinc/64/48/90/1370644890.db2.gz CJFJAFHWJLNQAF-YJBOKZPZSA-N 2 1 326.440 3.283 20 10 EGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001205082204 1370644895 /nfs/dbraw/zinc/64/48/95/1370644895.db2.gz CJFJAFHWJLNQAF-YJBOKZPZSA-N 2 1 326.440 3.283 20 10 EGCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001206317539 1371020093 /nfs/dbraw/zinc/02/00/93/1371020093.db2.gz GRRINAPNFOEZLF-OAHLLOKOSA-N 2 1 332.366 3.242 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCC(F)(F)F)cc2F)CC1 ZINC001327028574 1388365851 /nfs/dbraw/zinc/36/58/51/1388365851.db2.gz BXFMIMAVRKNNHQ-UHFFFAOYSA-N 2 1 333.373 3.010 20 10 EGCDMP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001235726425 1376887086 /nfs/dbraw/zinc/88/70/86/1376887086.db2.gz YLHKSYHCYFBABC-ZDUSSCGKSA-N 2 1 335.245 3.231 20 10 EGCDMP [NH3+]C[C@@H]1CCC[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001235726425 1376887090 /nfs/dbraw/zinc/88/70/90/1376887090.db2.gz YLHKSYHCYFBABC-ZDUSSCGKSA-N 2 1 335.245 3.231 20 10 EGCDMP COc1cc(C[N@@H+]2CC[C@H]2c2ccccc2)cc(C[NH+](C)C)c1O ZINC001139258896 1377857946 /nfs/dbraw/zinc/85/79/46/1377857946.db2.gz ZXTFTEDBRQUHAV-SFHVURJKSA-N 2 1 326.440 3.409 20 10 EGCDMP COc1cc(C[N@H+]2CC[C@H]2c2ccccc2)cc(C[NH+](C)C)c1O ZINC001139258896 1377857949 /nfs/dbraw/zinc/85/79/49/1377857949.db2.gz ZXTFTEDBRQUHAV-SFHVURJKSA-N 2 1 326.440 3.409 20 10 EGCDMP Cc1c(O)ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001140744163 1378128480 /nfs/dbraw/zinc/12/84/80/1378128480.db2.gz NQENSIRYPOMXMX-HOTGVXAUSA-N 2 1 344.480 3.032 20 10 EGCDMP Oc1ccc(O)c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001141161321 1378254760 /nfs/dbraw/zinc/25/47/60/1378254760.db2.gz DRNQXJUVBAVPLP-MJGOQNOKSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(O)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001141161321 1378254764 /nfs/dbraw/zinc/25/47/64/1378254764.db2.gz DRNQXJUVBAVPLP-MJGOQNOKSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(O)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001141161321 1378254766 /nfs/dbraw/zinc/25/47/66/1378254766.db2.gz DRNQXJUVBAVPLP-MJGOQNOKSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(O)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001141161321 1378254770 /nfs/dbraw/zinc/25/47/70/1378254770.db2.gz DRNQXJUVBAVPLP-MJGOQNOKSA-N 2 1 338.451 3.052 20 10 EGCDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](C)C1 ZINC001318652751 1385817057 /nfs/dbraw/zinc/81/70/57/1385817057.db2.gz XSMKZYUWGICTBS-VQFNDLOPSA-N 2 1 333.495 3.492 20 10 EGCDMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cc2F)C[C@@H](C)O1 ZINC000268841069 455715667 /nfs/dbraw/zinc/71/56/67/455715667.db2.gz HTWBEPXUXMJKKR-YFHUEUNASA-N 2 1 349.494 3.012 20 10 EGCDMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2F)C[C@@H](C)O1 ZINC000268841069 455715670 /nfs/dbraw/zinc/71/56/70/455715670.db2.gz HTWBEPXUXMJKKR-YFHUEUNASA-N 2 1 349.494 3.012 20 10 EGCDMP CN(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C(F)(F)F)c1 ZINC000295100694 547427735 /nfs/dbraw/zinc/42/77/35/547427735.db2.gz UUYIQWAWSFCEPY-VHRNVKJDSA-N 2 1 341.421 3.486 20 10 EGCDMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1ccccc1O ZINC000091974713 1292851852 /nfs/dbraw/zinc/85/18/52/1292851852.db2.gz VRGKHTGRINVLTN-UHFFFAOYSA-N 2 1 340.467 3.499 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)c2c1 ZINC000246938838 1296377182 /nfs/dbraw/zinc/37/71/82/1296377182.db2.gz HMIMPRNQXGUVLI-OXQOHEQNSA-N 2 1 340.467 3.470 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2c1 ZINC000246938838 1296377198 /nfs/dbraw/zinc/37/71/98/1296377198.db2.gz HMIMPRNQXGUVLI-OXQOHEQNSA-N 2 1 340.467 3.470 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2c1 ZINC000246938838 1296377209 /nfs/dbraw/zinc/37/72/09/1296377209.db2.gz HMIMPRNQXGUVLI-OXQOHEQNSA-N 2 1 340.467 3.470 20 10 EGCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1c(O)cccc1F ZINC000886651532 1303539597 /nfs/dbraw/zinc/53/95/97/1303539597.db2.gz IXBBFXRSMUUWPJ-OAHLLOKOSA-N 2 1 343.446 3.134 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCS[C@@H]4CCCC[C@H]43)cc2)CC1 ZINC000775725243 1304022257 /nfs/dbraw/zinc/02/22/57/1304022257.db2.gz QVLXVTFPROXQTJ-WOJBJXKFSA-N 2 1 345.556 3.298 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000776222288 1304116399 /nfs/dbraw/zinc/11/63/99/1304116399.db2.gz BFZJYRZNSVHFRA-FZMZJTMJSA-N 2 1 327.266 3.035 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000776222288 1304116403 /nfs/dbraw/zinc/11/64/03/1304116403.db2.gz BFZJYRZNSVHFRA-FZMZJTMJSA-N 2 1 327.266 3.035 20 10 EGCDMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)ccc1O ZINC000799725121 1310605880 /nfs/dbraw/zinc/60/58/80/1310605880.db2.gz CZYSWUOOFRFIAB-MRXNPFEDSA-N 2 1 339.911 3.112 20 10 EGCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2ccccc2c1O ZINC000816521783 1319175110 /nfs/dbraw/zinc/17/51/10/1319175110.db2.gz YPMAIRGXWPHJIO-HOJAQTOUSA-N 2 1 340.467 3.229 20 10 EGCDMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000817981262 1319485533 /nfs/dbraw/zinc/48/55/33/1319485533.db2.gz QSFCFKPJCZWBHP-XLIONFOSSA-N 2 1 331.504 3.096 20 10 EGCDMP CC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000843051348 1321462058 /nfs/dbraw/zinc/46/20/58/1321462058.db2.gz WXBRFPSZADHZOR-LRDDRELGSA-N 2 1 329.410 3.331 20 10 EGCDMP CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000843051348 1321462062 /nfs/dbraw/zinc/46/20/62/1321462062.db2.gz WXBRFPSZADHZOR-LRDDRELGSA-N 2 1 329.410 3.331 20 10 EGCDMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000843117304 1321473166 /nfs/dbraw/zinc/47/31/66/1321473166.db2.gz OHCJTNDZGWHTKR-HXUWFJFHSA-N 2 1 326.440 3.142 20 10 EGCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1O ZINC000843127883 1321474251 /nfs/dbraw/zinc/47/42/51/1321474251.db2.gz UFJVAFUBQRQQFH-KGLIPLIRSA-N 2 1 338.879 3.266 20 10 EGCDMP Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1N(C)C ZINC000923402113 1322745664 /nfs/dbraw/zinc/74/56/64/1322745664.db2.gz TZYFMFKAJQWFMW-LSDHHAIUSA-N 2 1 329.410 3.020 20 10 EGCDMP Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1N(C)C ZINC000923402113 1322745666 /nfs/dbraw/zinc/74/56/66/1322745666.db2.gz TZYFMFKAJQWFMW-LSDHHAIUSA-N 2 1 329.410 3.020 20 10 EGCDMP COc1ccc(O)c(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1 ZINC001203671785 1370211149 /nfs/dbraw/zinc/21/11/49/1370211149.db2.gz XSNVGARTAOLAIU-HZPDHXFCSA-N 2 1 344.480 3.026 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)cc2F)CC1 ZINC001116440215 1370911306 /nfs/dbraw/zinc/91/13/06/1370911306.db2.gz BIUHJFWABZKTHE-IEBWSBKVSA-N 2 1 331.479 3.342 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]4CCC[C@H]43)cc2F)CC1 ZINC001116440215 1370911309 /nfs/dbraw/zinc/91/13/09/1370911309.db2.gz BIUHJFWABZKTHE-IEBWSBKVSA-N 2 1 331.479 3.342 20 10 EGCDMP Fc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001235726116 1376886379 /nfs/dbraw/zinc/88/63/79/1376886379.db2.gz MTLQMWGFUHWEHT-SFHVURJKSA-N 2 1 339.458 3.225 20 10 EGCDMP CCC[N@H+](Cc1c(O)cccc1OC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236843843 1376967178 /nfs/dbraw/zinc/96/71/78/1376967178.db2.gz RMBNWMMJXJGXLB-LBPRGKRZSA-N 2 1 332.366 3.112 20 10 EGCDMP COc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139259218 1377858168 /nfs/dbraw/zinc/85/81/68/1377858168.db2.gz NAVAXIGYCUAHEL-OAHLLOKOSA-N 2 1 340.467 3.409 20 10 EGCDMP COc1cc(C[N@H+]2CCc3ccc(C)cc3C2)cc(C[NH+](C)C)c1O ZINC001139252817 1377858411 /nfs/dbraw/zinc/85/84/11/1377858411.db2.gz AEMVYFXNWFPFQI-UHFFFAOYSA-N 2 1 340.467 3.329 20 10 EGCDMP COc1cc(C[N@@H+](C)Cc2cccc(F)c2)cc(C[NH+](C)C)c1O ZINC001139254560 1377858761 /nfs/dbraw/zinc/85/87/61/1377858761.db2.gz IOXRZOBVZBBXRO-UHFFFAOYSA-N 2 1 332.419 3.234 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1(F)F ZINC001139409052 1377880584 /nfs/dbraw/zinc/88/05/84/1377880584.db2.gz TWMAKYDHONXWGY-MRXNPFEDSA-N 2 1 337.458 3.306 20 10 EGCDMP C[N@@H+](CCc1cccc(F)c1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410750 1377880639 /nfs/dbraw/zinc/88/06/39/1377880639.db2.gz CDUCZBDKVZZSNB-UHFFFAOYSA-N 2 1 341.474 3.252 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)Cc3ccc(C)nc3)cc2)CC1 ZINC001140309441 1378044366 /nfs/dbraw/zinc/04/43/66/1378044366.db2.gz HACVLPCVYWHWAQ-UHFFFAOYSA-N 2 1 338.499 3.164 20 10 EGCDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(N3CCCC3)cc2)C[C@H](C)O1 ZINC001322376289 1387174770 /nfs/dbraw/zinc/17/47/70/1387174770.db2.gz OVEHFCJFXBUUJL-KDURUIRLSA-N 2 1 345.531 3.266 20 10 EGCDMP Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337282850 1389293280 /nfs/dbraw/zinc/29/32/80/1389293280.db2.gz VMQIWNUKDWDVCY-INIZCTEOSA-N 2 1 342.462 3.132 20 10 EGCDMP CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337872280 1389465470 /nfs/dbraw/zinc/46/54/70/1389465470.db2.gz VVZLCPKPBIMQBZ-CQSZACIVSA-N 2 1 347.400 3.398 20 10 EGCDMP COc1cccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1O ZINC000093336929 454704682 /nfs/dbraw/zinc/70/46/82/454704682.db2.gz FYGWETQXSZFAPW-GOSISDBHSA-N 2 1 340.467 3.355 20 10 EGCDMP COc1cccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000093336929 454704685 /nfs/dbraw/zinc/70/46/85/454704685.db2.gz FYGWETQXSZFAPW-GOSISDBHSA-N 2 1 340.467 3.355 20 10 EGCDMP COc1cccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000093336929 454704687 /nfs/dbraw/zinc/70/46/87/454704687.db2.gz FYGWETQXSZFAPW-GOSISDBHSA-N 2 1 340.467 3.355 20 10 EGCDMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1O ZINC000184997841 455483585 /nfs/dbraw/zinc/48/35/85/455483585.db2.gz KHZAXWKJTMZWQD-NEPJUHHUSA-N 2 1 339.277 3.290 20 10 EGCDMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1O ZINC000184997841 455483586 /nfs/dbraw/zinc/48/35/86/455483586.db2.gz KHZAXWKJTMZWQD-NEPJUHHUSA-N 2 1 339.277 3.290 20 10 EGCDMP COc1ccc(O)c(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000180197144 455147465 /nfs/dbraw/zinc/14/74/65/455147465.db2.gz PZEMUDMTLCVOIH-SFHVURJKSA-N 2 1 340.467 3.355 20 10 EGCDMP COc1ccc(O)c(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000180197144 455147467 /nfs/dbraw/zinc/14/74/67/455147467.db2.gz PZEMUDMTLCVOIH-SFHVURJKSA-N 2 1 340.467 3.355 20 10 EGCDMP COc1ccc(O)c(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000180197144 455147470 /nfs/dbraw/zinc/14/74/70/455147470.db2.gz PZEMUDMTLCVOIH-SFHVURJKSA-N 2 1 340.467 3.355 20 10 EGCDMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268737919 455711387 /nfs/dbraw/zinc/71/13/87/455711387.db2.gz CEQJANVCEKJBNF-INIZCTEOSA-N 2 1 337.483 3.043 20 10 EGCDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268737919 455711394 /nfs/dbraw/zinc/71/13/94/455711394.db2.gz CEQJANVCEKJBNF-INIZCTEOSA-N 2 1 337.483 3.043 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000293607846 455793003 /nfs/dbraw/zinc/79/30/03/455793003.db2.gz DWLXSNSOWQKQSH-HNNXBMFYSA-N 2 1 334.460 3.096 20 10 EGCDMP COc1cc(Cl)cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1O ZINC000377905763 458569820 /nfs/dbraw/zinc/56/98/20/458569820.db2.gz UCSNNKWPBVWBOO-AWEZNQCLSA-N 2 1 338.879 3.218 20 10 EGCDMP CC[NH+]1CCC([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000743644336 576813977 /nfs/dbraw/zinc/81/39/77/576813977.db2.gz JIZBAYIPUSADFV-UHFFFAOYSA-N 2 1 346.475 3.159 20 10 EGCDMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000715542431 1298280037 /nfs/dbraw/zinc/28/00/37/1298280037.db2.gz LDHHIRBEGPOSCH-VXGBXAGGSA-N 2 1 327.266 3.117 20 10 EGCDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c(O)ccc4ccncc43)C2)CC1 ZINC000755782210 1300396967 /nfs/dbraw/zinc/39/69/67/1300396967.db2.gz YJZFTHTUAVWQIV-QGZVFWFLSA-N 2 1 325.456 3.104 20 10 EGCDMP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756527979 1300514494 /nfs/dbraw/zinc/51/44/94/1300514494.db2.gz LMLXRSHVTUFOGO-CZUORRHYSA-N 2 1 336.451 3.170 20 10 EGCDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765514260 1302276203 /nfs/dbraw/zinc/27/62/03/1302276203.db2.gz NTLKWXVNKKJJDV-CQSZACIVSA-N 2 1 348.878 3.032 20 10 EGCDMP CCN(C)c1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000765977005 1302359840 /nfs/dbraw/zinc/35/98/40/1302359840.db2.gz PFQORJPRKYSURW-LAUBAEHRSA-N 2 1 345.531 3.437 20 10 EGCDMP CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1(C)C ZINC000775735489 1304024080 /nfs/dbraw/zinc/02/40/80/1304024080.db2.gz PONGRZLZUCRRIH-PZJWPPBQSA-N 2 1 345.531 3.074 20 10 EGCDMP COc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c(O)c1OC ZINC000892583783 1305452996 /nfs/dbraw/zinc/45/29/96/1305452996.db2.gz FADZJRPAUWJDSZ-HNNXBMFYSA-N 2 1 336.476 3.011 20 10 EGCDMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000792920533 1309261292 /nfs/dbraw/zinc/26/12/92/1309261292.db2.gz ZDNSLOUOIOTXNZ-HOCLYGCPSA-N 2 1 341.421 3.488 20 10 EGCDMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000792920533 1309261295 /nfs/dbraw/zinc/26/12/95/1309261295.db2.gz ZDNSLOUOIOTXNZ-HOCLYGCPSA-N 2 1 341.421 3.488 20 10 EGCDMP CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809763833 1317894189 /nfs/dbraw/zinc/89/41/89/1317894189.db2.gz AHRAAACPYVYKPC-NRFANRHFSA-N 2 1 338.499 3.417 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000817984431 1319485918 /nfs/dbraw/zinc/48/59/18/1319485918.db2.gz YCLFPQLYDXTKAP-KBXCAEBGSA-N 2 1 342.439 3.310 20 10 EGCDMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843053196 1321461661 /nfs/dbraw/zinc/46/16/61/1321461661.db2.gz YZWJULSYCOSYFW-OLZOCXBDSA-N 2 1 329.410 3.331 20 10 EGCDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843053196 1321461664 /nfs/dbraw/zinc/46/16/64/1321461664.db2.gz YZWJULSYCOSYFW-OLZOCXBDSA-N 2 1 329.410 3.331 20 10 EGCDMP Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843126759 1321474517 /nfs/dbraw/zinc/47/45/17/1321474517.db2.gz MQZFEGGUTLTTMN-YLJYHZDGSA-N 2 1 338.451 3.155 20 10 EGCDMP C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])[C@@H]1CC[NH3+] ZINC000844902322 1321655938 /nfs/dbraw/zinc/65/59/38/1321655938.db2.gz PGTKXOCCFKXLDA-SMDDNHRTSA-N 2 1 327.266 3.104 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000844902852 1321656331 /nfs/dbraw/zinc/65/63/31/1321656331.db2.gz URXABLPTFBEXDP-BBRMVZONSA-N 2 1 339.277 3.024 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000844902852 1321656336 /nfs/dbraw/zinc/65/63/36/1321656336.db2.gz URXABLPTFBEXDP-BBRMVZONSA-N 2 1 339.277 3.024 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206025815 1370942217 /nfs/dbraw/zinc/94/22/17/1370942217.db2.gz PJOMKXCHGXGBET-QWHCGFSZSA-N 2 1 341.293 3.270 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206025815 1370942220 /nfs/dbraw/zinc/94/22/20/1370942220.db2.gz PJOMKXCHGXGBET-QWHCGFSZSA-N 2 1 341.293 3.270 20 10 EGCDMP COc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001203589742 1370180693 /nfs/dbraw/zinc/18/06/93/1370180693.db2.gz MUFKUXAORBGDPE-IYBDPMFKSA-N 2 1 344.480 3.026 20 10 EGCDMP COc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001203589742 1370180694 /nfs/dbraw/zinc/18/06/94/1370180694.db2.gz MUFKUXAORBGDPE-IYBDPMFKSA-N 2 1 344.480 3.026 20 10 EGCDMP COc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001203589742 1370180696 /nfs/dbraw/zinc/18/06/96/1370180696.db2.gz MUFKUXAORBGDPE-IYBDPMFKSA-N 2 1 344.480 3.026 20 10 EGCDMP COc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001203589742 1370180698 /nfs/dbraw/zinc/18/06/98/1370180698.db2.gz MUFKUXAORBGDPE-IYBDPMFKSA-N 2 1 344.480 3.026 20 10 EGCDMP Oc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c(O)c1 ZINC001204273406 1370428536 /nfs/dbraw/zinc/42/85/36/1370428536.db2.gz BNPZVACFLYWTRP-UHFFFAOYSA-N 2 1 342.439 3.179 20 10 EGCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)C[NH2+]CCO2 ZINC001206050014 1370948322 /nfs/dbraw/zinc/94/83/22/1370948322.db2.gz XJHKJKRHIYVLNI-GOSISDBHSA-N 2 1 342.414 3.350 20 10 EGCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1)C[NH2+]CCO2 ZINC001206050015 1370948815 /nfs/dbraw/zinc/94/88/15/1370948815.db2.gz XJHKJKRHIYVLNI-SFHVURJKSA-N 2 1 342.414 3.350 20 10 EGCDMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(O)cc1Br ZINC001206338215 1371026937 /nfs/dbraw/zinc/02/69/37/1371026937.db2.gz YGLNQOGJONYVEU-MRXNPFEDSA-N 2 1 341.293 3.414 20 10 EGCDMP COc1cc(O)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC001206597371 1371104746 /nfs/dbraw/zinc/10/47/46/1371104746.db2.gz BHIVDDWIVXTSFQ-CQSZACIVSA-N 2 1 326.868 3.407 20 10 EGCDMP COc1cc(O)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC001206597371 1371104747 /nfs/dbraw/zinc/10/47/47/1371104747.db2.gz BHIVDDWIVXTSFQ-CQSZACIVSA-N 2 1 326.868 3.407 20 10 EGCDMP COc1cc(Cl)cc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c1O ZINC001233291322 1376606186 /nfs/dbraw/zinc/60/61/86/1376606186.db2.gz VWEUQLWJPCKHJN-UHFFFAOYSA-N 2 1 347.846 3.080 20 10 EGCDMP COc1cc(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)cc(C[NH+](C)C)c1O ZINC001139255114 1377858774 /nfs/dbraw/zinc/85/87/74/1377858774.db2.gz NEUSPTXTTTXJSZ-CYBMUJFWSA-N 2 1 342.430 3.330 20 10 EGCDMP COc1cc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)cc(C[NH+](C)C)c1O ZINC001139252964 1377858929 /nfs/dbraw/zinc/85/89/29/1377858929.db2.gz HDHXXTHSZVVCRU-HNNXBMFYSA-N 2 1 346.393 3.032 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@](C)(F)[C@@H](F)C3)cc2)CC1 ZINC001140302656 1378042810 /nfs/dbraw/zinc/04/28/10/1378042810.db2.gz WZBKEOUNNKQABZ-OALUTQOASA-N 2 1 337.458 3.101 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)(F)[C@@H](F)C3)cc2)CC1 ZINC001140302656 1378042811 /nfs/dbraw/zinc/04/28/11/1378042811.db2.gz WZBKEOUNNKQABZ-OALUTQOASA-N 2 1 337.458 3.101 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCc4ccsc4C3)cc2)CC1 ZINC001140304092 1378042831 /nfs/dbraw/zinc/04/28/31/1378042831.db2.gz HRUCCAMXJKJEOQ-UHFFFAOYSA-N 2 1 341.524 3.448 20 10 EGCDMP CN(C)c1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC001140921972 1378181087 /nfs/dbraw/zinc/18/10/87/1378181087.db2.gz YOFMKZSURHBLRL-UHFFFAOYSA-N 2 1 330.863 3.123 20 10 EGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC001320760447 1386710818 /nfs/dbraw/zinc/71/08/18/1386710818.db2.gz VYDJZMBFZOGGML-BRWVUGGUSA-N 2 1 332.488 3.339 20 10 EGCDMP COc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3[NH+](C)C)CC2)cc1 ZINC001340525754 1390305714 /nfs/dbraw/zinc/30/57/14/1390305714.db2.gz DNKQDSWLYMLIGE-UXHICEINSA-N 2 1 331.504 3.126 20 10 EGCDMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2F)C[C@@H](C)O1 ZINC000268841061 455715166 /nfs/dbraw/zinc/71/51/66/455715166.db2.gz HTWBEPXUXMJKKR-BVIKNXMNSA-N 2 1 349.494 3.012 20 10 EGCDMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2F)C[C@@H](C)O1 ZINC000268841061 455715169 /nfs/dbraw/zinc/71/51/69/455715169.db2.gz HTWBEPXUXMJKKR-BVIKNXMNSA-N 2 1 349.494 3.012 20 10 EGCDMP Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000186520057 455785213 /nfs/dbraw/zinc/78/52/13/455785213.db2.gz ZPADYGISRLJBSQ-LPHOPBHVSA-N 2 1 340.467 3.118 20 10 EGCDMP COc1ccc(O)c(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000374176584 457509876 /nfs/dbraw/zinc/50/98/76/457509876.db2.gz MOQFXHIERMKZTG-OAQYLSRUSA-N 2 1 340.467 3.403 20 10 EGCDMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Br)ccc2O)C1 ZINC000368131636 458013075 /nfs/dbraw/zinc/01/30/75/458013075.db2.gz AXWPYUDAGGQHLK-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Br)ccc2O)C1 ZINC000368131636 458013083 /nfs/dbraw/zinc/01/30/83/458013083.db2.gz AXWPYUDAGGQHLK-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(Br)ccc2O)C1 ZINC000368131636 458013091 /nfs/dbraw/zinc/01/30/91/458013091.db2.gz AXWPYUDAGGQHLK-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(Br)ccc2O)C1 ZINC000368131636 458013098 /nfs/dbraw/zinc/01/30/98/458013098.db2.gz AXWPYUDAGGQHLK-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1O ZINC000705207877 1298212800 /nfs/dbraw/zinc/21/28/00/1298212800.db2.gz VFKLVVNZMLSKOA-ZDUSSCGKSA-N 2 1 341.293 3.237 20 10 EGCDMP Cc1cc(Br)cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1O ZINC000705207877 1298212810 /nfs/dbraw/zinc/21/28/10/1298212810.db2.gz VFKLVVNZMLSKOA-ZDUSSCGKSA-N 2 1 341.293 3.237 20 10 EGCDMP Cc1cc(Br)cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000705207877 1298212819 /nfs/dbraw/zinc/21/28/19/1298212819.db2.gz VFKLVVNZMLSKOA-ZDUSSCGKSA-N 2 1 341.293 3.237 20 10 EGCDMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000762648985 1301721177 /nfs/dbraw/zinc/72/11/77/1301721177.db2.gz KLNCKPAZKOANPK-XLIONFOSSA-N 2 1 333.520 3.294 20 10 EGCDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765514259 1302276075 /nfs/dbraw/zinc/27/60/75/1302276075.db2.gz NTLKWXVNKKJJDV-AWEZNQCLSA-N 2 1 348.878 3.032 20 10 EGCDMP Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000775651090 1304005248 /nfs/dbraw/zinc/00/52/48/1304005248.db2.gz XMNDEKBIHGGUMQ-FQEVSTJZSA-N 2 1 340.471 3.072 20 10 EGCDMP Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000775651090 1304005251 /nfs/dbraw/zinc/00/52/51/1304005251.db2.gz XMNDEKBIHGGUMQ-FQEVSTJZSA-N 2 1 340.471 3.072 20 10 EGCDMP Oc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420755 1317845573 /nfs/dbraw/zinc/84/55/73/1317845573.db2.gz WHLOJBAKHGULDM-PKOBYXMFSA-N 2 1 338.451 3.013 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC=C(c4ccco4)C3)cc2)CC1 ZINC000809689313 1317862781 /nfs/dbraw/zinc/86/27/81/1317862781.db2.gz XKWGAENIIZPNMP-UHFFFAOYSA-N 2 1 337.467 3.321 20 10 EGCDMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Br)cc2O)C1 ZINC000825935597 1320372297 /nfs/dbraw/zinc/37/22/97/1320372297.db2.gz YLLGZRMJPNCKGK-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Br)cc2O)C1 ZINC000825935597 1320372300 /nfs/dbraw/zinc/37/23/00/1320372300.db2.gz YLLGZRMJPNCKGK-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(Br)cc2O)C1 ZINC000825935597 1320372304 /nfs/dbraw/zinc/37/23/04/1320372304.db2.gz YLLGZRMJPNCKGK-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(Br)cc2O)C1 ZINC000825935597 1320372307 /nfs/dbraw/zinc/37/23/07/1320372307.db2.gz YLLGZRMJPNCKGK-IUODEOHRSA-N 2 1 339.277 3.071 20 10 EGCDMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cc(Br)ccc1O ZINC000842473159 1321393028 /nfs/dbraw/zinc/39/30/28/1321393028.db2.gz QFSYSSPTKPKWGT-ZDUSSCGKSA-N 2 1 341.293 3.366 20 10 EGCDMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843052887 1321462011 /nfs/dbraw/zinc/46/20/11/1321462011.db2.gz XOYDWZLCIFUOSM-RDJZCZTQSA-N 2 1 346.475 3.144 20 10 EGCDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843052887 1321462014 /nfs/dbraw/zinc/46/20/14/1321462014.db2.gz XOYDWZLCIFUOSM-RDJZCZTQSA-N 2 1 346.475 3.144 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843055139 1321463293 /nfs/dbraw/zinc/46/32/93/1321463293.db2.gz SWQRKIUJUFSZOC-UHFFFAOYSA-N 2 1 327.266 3.165 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843055139 1321463296 /nfs/dbraw/zinc/46/32/96/1321463296.db2.gz SWQRKIUJUFSZOC-UHFFFAOYSA-N 2 1 327.266 3.165 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1O ZINC000843118992 1321473102 /nfs/dbraw/zinc/47/31/02/1321473102.db2.gz RXUXFJJLRWBVDM-MRXNPFEDSA-N 2 1 339.277 3.039 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1O ZINC000843118992 1321473105 /nfs/dbraw/zinc/47/31/05/1321473105.db2.gz RXUXFJJLRWBVDM-MRXNPFEDSA-N 2 1 339.277 3.039 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1O ZINC000844901638 1321656088 /nfs/dbraw/zinc/65/60/88/1321656088.db2.gz JLLJMABGPFOOPN-BBRMVZONSA-N 2 1 339.277 3.024 20 10 EGCDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000846703528 1321803062 /nfs/dbraw/zinc/80/30/62/1321803062.db2.gz OOEWXUUGNCLVMI-YJBOKZPZSA-N 2 1 326.440 3.283 20 10 EGCDMP CC[N@H+]1CC[C@H](N(C)Cc2c(O)cccc2Br)C[C@H]1C ZINC000862248758 1329471036 /nfs/dbraw/zinc/47/10/36/1329471036.db2.gz RAVIZZRRFNCWFI-OLZOCXBDSA-N 2 1 341.293 3.459 20 10 EGCDMP Cc1cc(N2CC[NH+](Cc3ccc(O)c(O)c3)CC2)c2ccccc2[nH+]1 ZINC001203875745 1370296155 /nfs/dbraw/zinc/29/61/55/1370296155.db2.gz UBVHBOFYNORQCA-UHFFFAOYSA-N 2 1 349.434 3.277 20 10 EGCDMP CC(C)(C)c1cc(O)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1Cl ZINC001205254729 1370697230 /nfs/dbraw/zinc/69/72/30/1370697230.db2.gz AQANVSVBELWCPE-GOSISDBHSA-N 2 1 340.895 3.019 20 10 EGCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001205288839 1370708326 /nfs/dbraw/zinc/70/83/26/1370708326.db2.gz OZHFCNLZXFGZRD-HNNXBMFYSA-N 2 1 332.366 3.037 20 10 EGCDMP C[C@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)CC[C@@H]1C[NH3+] ZINC001205627746 1370818070 /nfs/dbraw/zinc/81/80/70/1370818070.db2.gz SDQGCTHJXZNAII-WDEREUQCSA-N 2 1 345.256 3.101 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)CC[C@@H]1C[NH3+] ZINC001205627746 1370818072 /nfs/dbraw/zinc/81/80/72/1370818072.db2.gz SDQGCTHJXZNAII-WDEREUQCSA-N 2 1 345.256 3.101 20 10 EGCDMP C[C@@H]1C[N@H+](Cc2cc(Br)c(F)cc2O)CCC[C@H]1C[NH3+] ZINC001206014026 1370939439 /nfs/dbraw/zinc/93/94/39/1370939439.db2.gz VFCRSUHUXOLVEZ-MNOVXSKESA-N 2 1 345.256 3.101 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2cc(Br)c(F)cc2O)CCC[C@H]1C[NH3+] ZINC001206014026 1370939441 /nfs/dbraw/zinc/93/94/41/1370939441.db2.gz VFCRSUHUXOLVEZ-MNOVXSKESA-N 2 1 345.256 3.101 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206025813 1370941861 /nfs/dbraw/zinc/94/18/61/1370941861.db2.gz PJOMKXCHGXGBET-CHWSQXEVSA-N 2 1 341.293 3.270 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206025813 1370941864 /nfs/dbraw/zinc/94/18/64/1370941864.db2.gz PJOMKXCHGXGBET-CHWSQXEVSA-N 2 1 341.293 3.270 20 10 EGCDMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001206276539 1371009864 /nfs/dbraw/zinc/00/98/64/1371009864.db2.gz GDPFBQZGZXJXPX-INIZCTEOSA-N 2 1 326.440 3.013 20 10 EGCDMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001206276539 1371009867 /nfs/dbraw/zinc/00/98/67/1371009867.db2.gz GDPFBQZGZXJXPX-INIZCTEOSA-N 2 1 326.440 3.013 20 10 EGCDMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327211988 1388444986 /nfs/dbraw/zinc/44/49/86/1388444986.db2.gz ABNOZINBRKQIOP-IGOJGBNBSA-N 2 1 333.495 3.492 20 10 EGCDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001327241323 1388460215 /nfs/dbraw/zinc/46/02/15/1388460215.db2.gz WVTMTFVFBIILJM-SFHLNBCPSA-N 2 1 343.515 3.005 20 10 EGCDMP Oc1ccc(F)c(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427584 1376870219 /nfs/dbraw/zinc/87/02/19/1376870219.db2.gz NPRPOXGZYDCQFI-OLZOCXBDSA-N 2 1 326.843 3.396 20 10 EGCDMP COc1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc(C[NH+](C)C)c1O ZINC001139257231 1377858837 /nfs/dbraw/zinc/85/88/37/1377858837.db2.gz VGBZKKYXJGOQLA-AWEZNQCLSA-N 2 1 346.393 3.237 20 10 EGCDMP COc1cc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc(C[NH+](C)C)c1O ZINC001139257231 1377858838 /nfs/dbraw/zinc/85/88/38/1377858838.db2.gz VGBZKKYXJGOQLA-AWEZNQCLSA-N 2 1 346.393 3.237 20 10 EGCDMP Cc1c(O)ccc(C[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c1O ZINC001140744165 1378128610 /nfs/dbraw/zinc/12/86/10/1378128610.db2.gz NQENSIRYPOMXMX-IYBDPMFKSA-N 2 1 344.480 3.032 20 10 EGCDMP Cc1c(O)ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001140744165 1378128611 /nfs/dbraw/zinc/12/86/11/1378128611.db2.gz NQENSIRYPOMXMX-IYBDPMFKSA-N 2 1 344.480 3.032 20 10 EGCDMP Cc1c(O)ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001140744165 1378128612 /nfs/dbraw/zinc/12/86/12/1378128612.db2.gz NQENSIRYPOMXMX-IYBDPMFKSA-N 2 1 344.480 3.032 20 10 EGCDMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001140952097 1378190015 /nfs/dbraw/zinc/19/00/15/1378190015.db2.gz DYYWYAANAVUSSH-IRXDYDNUSA-N 2 1 328.481 3.326 20 10 EGCDMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001140949573 1378190537 /nfs/dbraw/zinc/19/05/37/1378190537.db2.gz DTTBEEYAGFTQOK-QUCCMNQESA-N 2 1 337.467 3.050 20 10 EGCDMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001140949573 1378190543 /nfs/dbraw/zinc/19/05/43/1378190543.db2.gz DTTBEEYAGFTQOK-QUCCMNQESA-N 2 1 337.467 3.050 20 10 EGCDMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001140949573 1378190548 /nfs/dbraw/zinc/19/05/48/1378190548.db2.gz DTTBEEYAGFTQOK-QUCCMNQESA-N 2 1 337.467 3.050 20 10 EGCDMP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001140949573 1378190554 /nfs/dbraw/zinc/19/05/54/1378190554.db2.gz DTTBEEYAGFTQOK-QUCCMNQESA-N 2 1 337.467 3.050 20 10 EGCDMP CN1CCOc2cc(C[N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)ccc21 ZINC001141144808 1378248633 /nfs/dbraw/zinc/24/86/33/1378248633.db2.gz LFZYMIDRAUJDLM-RBUKOAKNSA-N 2 1 343.515 3.354 20 10 EGCDMP CN1CCOc2cc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)ccc21 ZINC001141144808 1378248635 /nfs/dbraw/zinc/24/86/35/1378248635.db2.gz LFZYMIDRAUJDLM-RBUKOAKNSA-N 2 1 343.515 3.354 20 10 EGCDMP CN1CCOc2cc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)ccc21 ZINC001141144808 1378248637 /nfs/dbraw/zinc/24/86/37/1378248637.db2.gz LFZYMIDRAUJDLM-RBUKOAKNSA-N 2 1 343.515 3.354 20 10 EGCDMP Oc1ccc(O)c(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001141159462 1378254581 /nfs/dbraw/zinc/25/45/81/1378254581.db2.gz GVGQICXRLNISDB-NRFANRHFSA-N 2 1 338.451 3.196 20 10 EGCDMP Oc1ccc(O)c(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001141159462 1378254586 /nfs/dbraw/zinc/25/45/86/1378254586.db2.gz GVGQICXRLNISDB-NRFANRHFSA-N 2 1 338.451 3.196 20 10 EGCDMP Oc1ccc(O)c(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001141159462 1378254590 /nfs/dbraw/zinc/25/45/90/1378254590.db2.gz GVGQICXRLNISDB-NRFANRHFSA-N 2 1 338.451 3.196 20 10 EGCDMP Oc1ccc(O)c(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001141159462 1378254592 /nfs/dbraw/zinc/25/45/92/1378254592.db2.gz GVGQICXRLNISDB-NRFANRHFSA-N 2 1 338.451 3.196 20 10 EGCDMP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC001321024281 1386786593 /nfs/dbraw/zinc/78/65/93/1386786593.db2.gz RGICZPJNDCBENF-FUHWJXTLSA-N 2 1 345.531 3.112 20 10 EGCDMP c1cc(N2CCCC2)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733330927 575328771 /nfs/dbraw/zinc/32/87/71/575328771.db2.gz SPHAONDFNSXDNR-NRFANRHFSA-N 2 1 343.515 3.020 20 10 EGCDMP Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000841029420 1321203778 /nfs/dbraw/zinc/20/37/78/1321203778.db2.gz GYPXBYVJKAICSE-BXUZGUMPSA-N 2 1 327.266 3.070 20 10 EGCDMP Oc1ccc2ccncc2c1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000749662042 1299251663 /nfs/dbraw/zinc/25/16/63/1299251663.db2.gz MHDGKHJXPPIBSD-UHFFFAOYSA-N 2 1 325.456 3.391 20 10 EGCDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000756409315 1300486012 /nfs/dbraw/zinc/48/60/12/1300486012.db2.gz YFXHOGXSAVFRBG-SFHVURJKSA-N 2 1 333.520 3.077 20 10 EGCDMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000762648983 1301721201 /nfs/dbraw/zinc/72/12/01/1301721201.db2.gz KLNCKPAZKOANPK-PXNSSMCTSA-N 2 1 333.520 3.294 20 10 EGCDMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1c(O)cccc1F ZINC000886518670 1303483958 /nfs/dbraw/zinc/48/39/58/1303483958.db2.gz CAKROVIYXCNWKT-AWEZNQCLSA-N 2 1 332.419 3.323 20 10 EGCDMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)ccc1O ZINC000775501229 1303975256 /nfs/dbraw/zinc/97/52/56/1303975256.db2.gz CNRMRRWYBXNINU-KRWDZBQOSA-N 2 1 339.911 3.114 20 10 EGCDMP C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775716755 1304020465 /nfs/dbraw/zinc/02/04/65/1304020465.db2.gz NKPUAXGQGFSJAJ-SFHVURJKSA-N 2 1 335.495 3.385 20 10 EGCDMP COc1cc(C)cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000894597993 1308972209 /nfs/dbraw/zinc/97/22/09/1308972209.db2.gz VIBSRHRWVTYBNU-GOSISDBHSA-N 2 1 340.467 3.321 20 10 EGCDMP COc1cc(O)c(C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1OC ZINC000895683686 1309464728 /nfs/dbraw/zinc/46/47/28/1309464728.db2.gz SFIGUICBTVIYOC-UHFFFAOYSA-N 2 1 336.476 3.107 20 10 EGCDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000904406456 1317843578 /nfs/dbraw/zinc/84/35/78/1317843578.db2.gz VPEJRAUSLQESKB-MRXNPFEDSA-N 2 1 326.440 3.142 20 10 EGCDMP CCOc1ccc(O)c(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809738997 1317884566 /nfs/dbraw/zinc/88/45/66/1317884566.db2.gz SSSRPMYOCZDOJB-UHFFFAOYSA-N 2 1 328.456 3.485 20 10 EGCDMP CCN(C)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1 ZINC000815210099 1318928763 /nfs/dbraw/zinc/92/87/63/1318928763.db2.gz IPTLMHWEXHRYGM-WCRBZPEASA-N 2 1 345.531 3.216 20 10 EGCDMP CCN(C)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1 ZINC000815210099 1318928773 /nfs/dbraw/zinc/92/87/73/1318928773.db2.gz IPTLMHWEXHRYGM-WCRBZPEASA-N 2 1 345.531 3.216 20 10 EGCDMP CCN(C)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000815210099 1318928784 /nfs/dbraw/zinc/92/87/84/1318928784.db2.gz IPTLMHWEXHRYGM-WCRBZPEASA-N 2 1 345.531 3.216 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000843059512 1321463754 /nfs/dbraw/zinc/46/37/54/1321463754.db2.gz NOMSNVMKQIREFR-WHOFXGATSA-N 2 1 339.277 3.022 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000843059512 1321463757 /nfs/dbraw/zinc/46/37/57/1321463757.db2.gz NOMSNVMKQIREFR-WHOFXGATSA-N 2 1 339.277 3.022 20 10 EGCDMP C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])[C@H]1CC[NH3+] ZINC000844902319 1321656048 /nfs/dbraw/zinc/65/60/48/1321656048.db2.gz PGTKXOCCFKXLDA-FZMZJTMJSA-N 2 1 327.266 3.104 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1O ZINC000862482408 1329490094 /nfs/dbraw/zinc/49/00/94/1329490094.db2.gz HWADCJDSOVNOLV-ZDUSSCGKSA-N 2 1 341.293 3.285 20 10 EGCDMP C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323844449 1387471467 /nfs/dbraw/zinc/47/14/67/1387471467.db2.gz KBJLZPNZPTUFPB-MRXNPFEDSA-N 2 1 342.462 3.166 20 10 EGCDMP C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323844449 1387471471 /nfs/dbraw/zinc/47/14/71/1387471471.db2.gz KBJLZPNZPTUFPB-MRXNPFEDSA-N 2 1 342.462 3.166 20 10 EGCDMP CC(C)[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001204604496 1370528962 /nfs/dbraw/zinc/52/89/62/1370528962.db2.gz SMABVSZLWZCCNG-UHFFFAOYSA-N 2 1 326.440 3.285 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1Br ZINC001205287688 1370707361 /nfs/dbraw/zinc/70/73/61/1370707361.db2.gz AQVCYPQWDYTFHJ-HNNXBMFYSA-N 2 1 327.266 3.166 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(OC)c1 ZINC001205995863 1370933166 /nfs/dbraw/zinc/93/31/66/1370933166.db2.gz RENTZQZLSIUTEH-DLBZAZTESA-N 2 1 333.520 3.348 20 10 EGCDMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001206263136 1371007155 /nfs/dbraw/zinc/00/71/55/1371007155.db2.gz OQASNYWFSOSYHM-INIZCTEOSA-N 2 1 326.440 3.155 20 10 EGCDMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001206263136 1371007162 /nfs/dbraw/zinc/00/71/62/1371007162.db2.gz OQASNYWFSOSYHM-INIZCTEOSA-N 2 1 326.440 3.155 20 10 EGCDMP COc1cc(C[N@H+]2CCc3ccccc3C2)cc(C[NH+](C)C)c1O ZINC001139252920 1377858704 /nfs/dbraw/zinc/85/87/04/1377858704.db2.gz FMHUURISIUEOIH-UHFFFAOYSA-N 2 1 326.440 3.021 20 10 EGCDMP COc1cc(C[N@H+]2CC[C@H](C)C(F)(F)CC2)cc(C[NH+](C)C)c1O ZINC001139255115 1377858828 /nfs/dbraw/zinc/85/88/28/1377858828.db2.gz NEUSPTXTTTXJSZ-ZDUSSCGKSA-N 2 1 342.430 3.330 20 10 EGCDMP CN1CCOc2cc(C[N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)ccc21 ZINC001141144807 1378248648 /nfs/dbraw/zinc/24/86/48/1378248648.db2.gz LFZYMIDRAUJDLM-OALUTQOASA-N 2 1 343.515 3.354 20 10 EGCDMP CN1CCOc2cc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)ccc21 ZINC001141144807 1378248650 /nfs/dbraw/zinc/24/86/50/1378248650.db2.gz LFZYMIDRAUJDLM-OALUTQOASA-N 2 1 343.515 3.354 20 10 EGCDMP CN1CCOc2cc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)ccc21 ZINC001141144807 1378248653 /nfs/dbraw/zinc/24/86/53/1378248653.db2.gz LFZYMIDRAUJDLM-OALUTQOASA-N 2 1 343.515 3.354 20 10 EGCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(Br)ccc1O)C2 ZINC001172113317 1384730885 /nfs/dbraw/zinc/73/08/85/1384730885.db2.gz CAFIEHWLYGNOJD-QKDCVEJESA-N 2 1 339.277 3.260 20 10 EGCDMP CC(C)c1nc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC001331932301 1389916947 /nfs/dbraw/zinc/91/69/47/1389916947.db2.gz HDMZUAXVZLAFKQ-UHFFFAOYSA-N 2 1 344.528 3.308 20 10 EGCDMP CN1CCN(c2ccc(C[N@H+]3CC(C)(C)[C@H]3C3CC3)cc2F)CC1 ZINC001343552193 1390722182 /nfs/dbraw/zinc/72/21/82/1390722182.db2.gz LCUFYLVVFGDSJN-LJQANCHMSA-N 2 1 331.479 3.198 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)[C@H]3C3CC3)cc2F)CC1 ZINC001343552193 1390722185 /nfs/dbraw/zinc/72/21/85/1390722185.db2.gz LCUFYLVVFGDSJN-LJQANCHMSA-N 2 1 331.479 3.198 20 10 EGCDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1O ZINC000184997862 455484138 /nfs/dbraw/zinc/48/41/38/455484138.db2.gz KHZAXWKJTMZWQD-NWDGAFQWSA-N 2 1 339.277 3.290 20 10 EGCDMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1O ZINC000184997862 455484142 /nfs/dbraw/zinc/48/41/42/455484142.db2.gz KHZAXWKJTMZWQD-NWDGAFQWSA-N 2 1 339.277 3.290 20 10 EGCDMP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(F)cc1O ZINC000185056441 455493012 /nfs/dbraw/zinc/49/30/12/455493012.db2.gz DOFGGIIUTNYLCR-AWEZNQCLSA-N 2 1 332.419 3.323 20 10 EGCDMP C[N@@H+](CCCC[NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000835061409 1293195745 /nfs/dbraw/zinc/19/57/45/1293195745.db2.gz HPMZPGTZWJDLLF-UHFFFAOYSA-N 2 1 327.266 3.119 20 10 EGCDMP C[N@H+]1CCC[C@@H]2CN(Cc3c(O)cccc3Br)CC[C@@H]21 ZINC000707145830 1298226607 /nfs/dbraw/zinc/22/66/07/1298226607.db2.gz IBWMIELMARJPMP-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(O)cccc3Br)CC[C@@H]21 ZINC000707145830 1298226611 /nfs/dbraw/zinc/22/66/11/1298226611.db2.gz IBWMIELMARJPMP-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(O)cccc3Br)CC[C@@H]21 ZINC000707145830 1298226615 /nfs/dbraw/zinc/22/66/15/1298226615.db2.gz IBWMIELMARJPMP-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(O)cccc3Br)CC[C@@H]21 ZINC000707145830 1298226619 /nfs/dbraw/zinc/22/66/19/1298226619.db2.gz IBWMIELMARJPMP-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(O)cccc3Br)CC[C@@H]21 ZINC000707145830 1298226624 /nfs/dbraw/zinc/22/66/24/1298226624.db2.gz IBWMIELMARJPMP-DOMZBBRYSA-N 2 1 339.277 3.071 20 10 EGCDMP CC(=O)c1cc(F)cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1O ZINC000750826726 1299459787 /nfs/dbraw/zinc/45/97/87/1299459787.db2.gz WUIQNUUFHVXLHA-UHFFFAOYSA-N 2 1 336.451 3.286 20 10 EGCDMP COCCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756527975 1300515010 /nfs/dbraw/zinc/51/50/10/1300515010.db2.gz LMLXRSHVTUFOGO-CJNGLKHVSA-N 2 1 336.451 3.170 20 10 EGCDMP C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775643193 1304002070 /nfs/dbraw/zinc/00/20/70/1304002070.db2.gz OHEKEIKPYYCRAI-UHFFFAOYSA-N 2 1 327.447 3.210 20 10 EGCDMP COc1cccc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000775643334 1304002480 /nfs/dbraw/zinc/00/24/80/1304002480.db2.gz UUIJYVSHZQPBIF-UHFFFAOYSA-N 2 1 339.483 3.079 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](c4ccco4)C3)cc2)CC1 ZINC000775693334 1304016654 /nfs/dbraw/zinc/01/66/54/1304016654.db2.gz ZHRUFWKKAOJCRB-GOSISDBHSA-N 2 1 325.456 3.021 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]3Cc3ccccc3)cc2)CC1 ZINC000775725972 1304021705 /nfs/dbraw/zinc/02/17/05/1304021705.db2.gz SONVGRBQSMLNIK-JOCHJYFZSA-N 2 1 335.495 3.255 20 10 EGCDMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788622476 1305985877 /nfs/dbraw/zinc/98/58/77/1305985877.db2.gz AWIAATAORRVUED-OLZOCXBDSA-N 2 1 348.409 3.418 20 10 EGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1O ZINC000808693046 1317717676 /nfs/dbraw/zinc/71/76/76/1317717676.db2.gz UUKKULPSZYOGKQ-HNNXBMFYSA-N 2 1 339.911 3.032 20 10 EGCDMP C[NH+](C)CCC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000809730085 1317881522 /nfs/dbraw/zinc/88/15/22/1317881522.db2.gz ZUHMXNOBRNZMTF-UHFFFAOYSA-N 2 1 328.456 3.355 20 10 EGCDMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000809730085 1317881530 /nfs/dbraw/zinc/88/15/30/1317881530.db2.gz ZUHMXNOBRNZMTF-UHFFFAOYSA-N 2 1 328.456 3.355 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1O ZINC000809735536 1317883621 /nfs/dbraw/zinc/88/36/21/1317883621.db2.gz KACSMMJOIDKOBA-CYBMUJFWSA-N 2 1 341.293 3.283 20 10 EGCDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)CC1 ZINC000816610834 1319193827 /nfs/dbraw/zinc/19/38/27/1319193827.db2.gz AOZBHPCYZJTMKC-CYBMUJFWSA-N 2 1 326.843 3.348 20 10 EGCDMP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)CC1 ZINC000816610834 1319193830 /nfs/dbraw/zinc/19/38/30/1319193830.db2.gz AOZBHPCYZJTMKC-CYBMUJFWSA-N 2 1 326.843 3.348 20 10 EGCDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)CC1 ZINC000816610834 1319193833 /nfs/dbraw/zinc/19/38/33/1319193833.db2.gz AOZBHPCYZJTMKC-CYBMUJFWSA-N 2 1 326.843 3.348 20 10 EGCDMP Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000817865941 1319448555 /nfs/dbraw/zinc/44/85/55/1319448555.db2.gz PYCNVJRKCNSENZ-UHFFFAOYSA-N 2 1 338.451 3.299 20 10 EGCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1O ZINC000818340946 1319530990 /nfs/dbraw/zinc/53/09/90/1319530990.db2.gz SUIYASKVQDZDTN-GFCCVEGCSA-N 2 1 336.863 3.212 20 10 EGCDMP CC(=O)c1cc(Cl)cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1O ZINC000818340946 1319531001 /nfs/dbraw/zinc/53/10/01/1319531001.db2.gz SUIYASKVQDZDTN-GFCCVEGCSA-N 2 1 336.863 3.212 20 10 EGCDMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841745590 1321305844 /nfs/dbraw/zinc/30/58/44/1321305844.db2.gz QNICVCNBHHYFQB-HNNXBMFYSA-N 2 1 339.911 3.114 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1O ZINC000843123801 1321473509 /nfs/dbraw/zinc/47/35/09/1321473509.db2.gz PQKGLTBBOAWMJJ-CQSZACIVSA-N 2 1 327.266 3.166 20 10 EGCDMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000846824396 1321812991 /nfs/dbraw/zinc/81/29/91/1321812991.db2.gz MSOHOKBZVCNYSY-UHFFFAOYSA-N 2 1 325.412 3.354 20 10 EGCDMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000846824396 1321812996 /nfs/dbraw/zinc/81/29/96/1321812996.db2.gz MSOHOKBZVCNYSY-UHFFFAOYSA-N 2 1 325.412 3.354 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1O ZINC001206633108 1371114153 /nfs/dbraw/zinc/11/41/53/1371114153.db2.gz SZGGEKBQNBSKSA-GFCCVEGCSA-N 2 1 327.266 3.024 20 10 EGCDMP CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001203617888 1370189704 /nfs/dbraw/zinc/18/97/04/1370189704.db2.gz XGJSUAVWUDGXQW-MRXNPFEDSA-N 2 1 328.412 3.148 20 10 EGCDMP CCOc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001203617888 1370189710 /nfs/dbraw/zinc/18/97/10/1370189710.db2.gz XGJSUAVWUDGXQW-MRXNPFEDSA-N 2 1 328.412 3.148 20 10 EGCDMP Oc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c1 ZINC001204278763 1370429828 /nfs/dbraw/zinc/42/98/28/1370429828.db2.gz JPEVYNLNBRIBBI-OAQYLSRUSA-N 2 1 338.451 3.196 20 10 EGCDMP Oc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(O)c1 ZINC001204278763 1370429832 /nfs/dbraw/zinc/42/98/32/1370429832.db2.gz JPEVYNLNBRIBBI-OAQYLSRUSA-N 2 1 338.451 3.196 20 10 EGCDMP Oc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(O)c1 ZINC001204278763 1370429837 /nfs/dbraw/zinc/42/98/37/1370429837.db2.gz JPEVYNLNBRIBBI-OAQYLSRUSA-N 2 1 338.451 3.196 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205582214 1370799839 /nfs/dbraw/zinc/79/98/39/1370799839.db2.gz XHMPNLOVQNUNQB-OAHLLOKOSA-N 2 1 345.256 3.116 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205582214 1370799840 /nfs/dbraw/zinc/79/98/40/1370799840.db2.gz XHMPNLOVQNUNQB-OAHLLOKOSA-N 2 1 345.256 3.116 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(OC)c1 ZINC001205618410 1370813271 /nfs/dbraw/zinc/81/32/71/1370813271.db2.gz VTYLLWJTDZQIRP-DLBZAZTESA-N 2 1 333.520 3.348 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CC[C@H]1C[NH3+] ZINC001205652013 1370829076 /nfs/dbraw/zinc/82/90/76/1370829076.db2.gz NGEQZDHIJXEXJP-NEPJUHHUSA-N 2 1 332.366 3.098 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1Br ZINC001205914797 1370908869 /nfs/dbraw/zinc/90/88/69/1370908869.db2.gz NTDUGFZXQNTMBM-VXGBXAGGSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1Br ZINC001205914797 1370908871 /nfs/dbraw/zinc/90/88/71/1370908871.db2.gz NTDUGFZXQNTMBM-VXGBXAGGSA-N 2 1 327.266 3.022 20 10 EGCDMP CCC[N@@H+](Cc1cc(C)cc(Br)c1O)C[C@@H]1CC[NH2+]C1 ZINC001236843096 1376966260 /nfs/dbraw/zinc/96/62/60/1376966260.db2.gz KZBUVNKISDNDDD-CYBMUJFWSA-N 2 1 341.293 3.285 20 10 EGCDMP CCC[N@H+](Cc1cc(C)cc(Br)c1O)C[C@@H]1CC[NH2+]C1 ZINC001236843096 1376966272 /nfs/dbraw/zinc/96/62/72/1376966272.db2.gz KZBUVNKISDNDDD-CYBMUJFWSA-N 2 1 341.293 3.285 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC001140304237 1378042922 /nfs/dbraw/zinc/04/29/22/1378042922.db2.gz JZQMPPMTCLRJTI-INIZCTEOSA-N 2 1 341.421 3.213 20 10 EGCDMP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC001342390445 1390608007 /nfs/dbraw/zinc/60/80/07/1390608007.db2.gz PSXQZFWBKVTWTN-OAHLLOKOSA-N 2 1 343.446 3.134 20 10 EGCDMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Br)ccc3O)CC[C@H]21 ZINC000228183520 456121613 /nfs/dbraw/zinc/12/16/13/456121613.db2.gz TUYPNQAMPWNAKI-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Br)ccc3O)CC[C@H]21 ZINC000228183520 456121620 /nfs/dbraw/zinc/12/16/20/456121620.db2.gz TUYPNQAMPWNAKI-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Br)ccc3O)CC[C@H]21 ZINC000228183520 456121626 /nfs/dbraw/zinc/12/16/26/456121626.db2.gz TUYPNQAMPWNAKI-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Br)ccc3O)CC[C@H]21 ZINC000228183520 456121635 /nfs/dbraw/zinc/12/16/35/456121635.db2.gz TUYPNQAMPWNAKI-SWLSCSKDSA-N 2 1 339.277 3.071 20 10 EGCDMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(N(C)C)cc1 ZINC000154493843 454901478 /nfs/dbraw/zinc/90/14/78/454901478.db2.gz UPEQFCAFDIWMMO-NRFANRHFSA-N 2 1 346.563 3.211 20 10 EGCDMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185116504 455504501 /nfs/dbraw/zinc/50/45/01/455504501.db2.gz PKHNSMGJBZPJQT-LLVKDONJSA-N 2 1 347.286 3.196 20 10 EGCDMP COc1ccc(N2CC[NH+](CCCNc3cccc(C)[nH+]3)CC2)cc1 ZINC000301269425 456077198 /nfs/dbraw/zinc/07/71/98/456077198.db2.gz JEXLSRWXZIEMGR-UHFFFAOYSA-N 2 1 340.471 3.023 20 10 EGCDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000236668697 456165987 /nfs/dbraw/zinc/16/59/87/456165987.db2.gz FKNRSJKACTVLDM-UHFFFAOYSA-N 2 1 342.439 3.251 20 10 EGCDMP c1cc(N2CCCC2)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733330928 575328649 /nfs/dbraw/zinc/32/86/49/575328649.db2.gz SPHAONDFNSXDNR-OAQYLSRUSA-N 2 1 343.515 3.020 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1O ZINC000843112570 1321472399 /nfs/dbraw/zinc/47/23/99/1321472399.db2.gz HPQAFTZSZHQABL-LBPRGKRZSA-N 2 1 327.266 3.024 20 10 EGCDMP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)cc1O ZINC000756549270 1300520154 /nfs/dbraw/zinc/52/01/54/1300520154.db2.gz NEEFUTQWHURLLW-HNNXBMFYSA-N 2 1 346.446 3.365 20 10 EGCDMP Cc1nc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c(C)s1 ZINC000883289177 1302368188 /nfs/dbraw/zinc/36/81/88/1302368188.db2.gz GZQCVXFPMWDCLG-AWEZNQCLSA-N 2 1 344.528 3.363 20 10 EGCDMP CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(O)c1 ZINC000770374399 1303256138 /nfs/dbraw/zinc/25/61/38/1303256138.db2.gz NFZIUJZTNLNLDU-HNAYVOBHSA-N 2 1 330.472 3.240 20 10 EGCDMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(O)c1 ZINC000770374399 1303256143 /nfs/dbraw/zinc/25/61/43/1303256143.db2.gz NFZIUJZTNLNLDU-HNAYVOBHSA-N 2 1 330.472 3.240 20 10 EGCDMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(O)c1 ZINC000770374399 1303256149 /nfs/dbraw/zinc/25/61/49/1303256149.db2.gz NFZIUJZTNLNLDU-HNAYVOBHSA-N 2 1 330.472 3.240 20 10 EGCDMP Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)on1 ZINC000775655336 1304006384 /nfs/dbraw/zinc/00/63/84/1304006384.db2.gz FCJIYIICAQZDQY-LJQANCHMSA-N 2 1 340.471 3.072 20 10 EGCDMP Cc1ccc(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000775675945 1304013062 /nfs/dbraw/zinc/01/30/62/1304013062.db2.gz HFFHKMJEXFZDSE-UHFFFAOYSA-N 2 1 329.513 3.440 20 10 EGCDMP COc1cc(C)cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1O ZINC000894433828 1308881659 /nfs/dbraw/zinc/88/16/59/1308881659.db2.gz DKBBFRKPYHRCOK-HZPDHXFCSA-N 2 1 332.488 3.452 20 10 EGCDMP Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1O ZINC000817960357 1319478320 /nfs/dbraw/zinc/47/83/20/1319478320.db2.gz YEQFUMLLUJBISM-DGCLKSJQSA-N 2 1 329.282 3.487 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1C[NH3+] ZINC000841101720 1321218892 /nfs/dbraw/zinc/21/88/92/1321218892.db2.gz ZPQWMNGKSOIMGP-VQIMIIECSA-N 2 1 340.467 3.388 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1[NH3+] ZINC000843051438 1321462144 /nfs/dbraw/zinc/46/21/44/1321462144.db2.gz HTVFUPYJQYXUKL-DNVCBOLYSA-N 2 1 326.440 3.140 20 10 EGCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C(F)(F)F)c1 ZINC000843058960 1321464342 /nfs/dbraw/zinc/46/43/42/1321464342.db2.gz ANTPAASSIUYVGW-NUTKFTJISA-N 2 1 341.421 3.331 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)cc2F)CC1 ZINC001116440216 1370911385 /nfs/dbraw/zinc/91/13/85/1370911385.db2.gz BIUHJFWABZKTHE-MJGOQNOKSA-N 2 1 331.479 3.342 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)cc2F)CC1 ZINC001116440216 1370911391 /nfs/dbraw/zinc/91/13/91/1370911391.db2.gz BIUHJFWABZKTHE-MJGOQNOKSA-N 2 1 331.479 3.342 20 10 EGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001116564889 1370937439 /nfs/dbraw/zinc/93/74/39/1370937439.db2.gz AKKBLMRLRZNZMC-KBAYOESNSA-N 2 1 344.499 3.482 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CCC[C@@H]1C[NH3+] ZINC001206027702 1370941876 /nfs/dbraw/zinc/94/18/76/1370941876.db2.gz WQPORWVVVSQISG-VXGBXAGGSA-N 2 1 332.366 3.098 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCC[C@@H]1C[NH3+] ZINC001206034785 1370945338 /nfs/dbraw/zinc/94/53/38/1370945338.db2.gz AAUCQCBDKQJQCI-HUUCEWRRSA-N 2 1 330.472 3.383 20 10 EGCDMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC001231871432 1376334048 /nfs/dbraw/zinc/33/40/48/1376334048.db2.gz KRFCPTHOKVHSGF-UHFFFAOYSA-N 2 1 331.847 3.380 20 10 EGCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235254574 1376863527 /nfs/dbraw/zinc/86/35/27/1376863527.db2.gz CGJFROVHSYZNPU-BLLLJJGKSA-N 2 1 347.256 3.102 20 10 EGCDMP COCC[N@@H+](Cc1ccc(-n2c(C)ccc2C)cc1)C1CC[NH2+]CC1 ZINC001235946954 1376922964 /nfs/dbraw/zinc/92/29/64/1376922964.db2.gz SYTSUMNNYCRQLN-UHFFFAOYSA-N 2 1 341.499 3.295 20 10 EGCDMP COc1cc(C[N@H+]2CCc3c(C)cccc3C2)cc(C[NH+](C)C)c1O ZINC001139253007 1377857861 /nfs/dbraw/zinc/85/78/61/1377857861.db2.gz IIDZNHASUCWMKP-UHFFFAOYSA-N 2 1 340.467 3.329 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)Cc3ccccc3O)cc2)CC1 ZINC001140306599 1378043855 /nfs/dbraw/zinc/04/38/55/1378043855.db2.gz VBVROZBOTMVLMM-UHFFFAOYSA-N 2 1 339.483 3.166 20 10 EGCDMP CCN(CC)c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(O)c1 ZINC001140851485 1378158043 /nfs/dbraw/zinc/15/80/43/1378158043.db2.gz JRAWEDZHLMZJTO-UHFFFAOYSA-N 2 1 331.504 3.299 20 10 EGCDMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H](C)C1 ZINC001318565814 1385759838 /nfs/dbraw/zinc/75/98/38/1385759838.db2.gz CSTFTKNXONHMDV-GPMSIDNRSA-N 2 1 333.495 3.492 20 10 EGCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319715517 1386266520 /nfs/dbraw/zinc/26/65/20/1386266520.db2.gz CVXSVXVKICFUDN-NRFANRHFSA-N 2 1 345.531 3.220 20 10 EGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001320760449 1386711021 /nfs/dbraw/zinc/71/10/21/1386711021.db2.gz VYDJZMBFZOGGML-IKGGRYGDSA-N 2 1 332.488 3.339 20 10 EGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001320760450 1386711146 /nfs/dbraw/zinc/71/11/46/1386711146.db2.gz VYDJZMBFZOGGML-IXDOHACOSA-N 2 1 332.488 3.339 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCCC3(F)F)cc2F)CC1 ZINC001344074415 1390754062 /nfs/dbraw/zinc/75/40/62/1390754062.db2.gz HQRZTHLITSHDRT-OAHLLOKOSA-N 2 1 341.421 3.103 20 10 EGCDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000113329675 454923379 /nfs/dbraw/zinc/92/33/79/454923379.db2.gz ZEBUTYUEZVLSIC-OKILXGFUSA-N 2 1 326.868 3.025 20 10 EGCDMP COCC[NH+]1CCC([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185145075 455510160 /nfs/dbraw/zinc/51/01/60/455510160.db2.gz VQJPFZMSEPUIES-OAHLLOKOSA-N 2 1 332.488 3.032 20 10 EGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)[C@H](C)C1 ZINC000185461109 455560673 /nfs/dbraw/zinc/56/06/73/455560673.db2.gz OFZSCEKHRUMHMI-AOIWGVFYSA-N 2 1 334.504 3.488 20 10 EGCDMP Cc1cc(Br)cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1O ZINC000186946864 455855139 /nfs/dbraw/zinc/85/51/39/455855139.db2.gz KZWGUOCSJOCCDI-LLVKDONJSA-N 2 1 327.266 3.208 20 10 EGCDMP Cc1cc(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1O ZINC000290320600 456290981 /nfs/dbraw/zinc/29/09/81/456290981.db2.gz CYHSZPVKBRXJQL-IUODEOHRSA-N 2 1 341.293 3.235 20 10 EGCDMP Cc1cc(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1O ZINC000290320600 456290988 /nfs/dbraw/zinc/29/09/88/456290988.db2.gz CYHSZPVKBRXJQL-IUODEOHRSA-N 2 1 341.293 3.235 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290320600 456290998 /nfs/dbraw/zinc/29/09/98/456290998.db2.gz CYHSZPVKBRXJQL-IUODEOHRSA-N 2 1 341.293 3.235 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290320600 456291004 /nfs/dbraw/zinc/29/10/04/456291004.db2.gz CYHSZPVKBRXJQL-IUODEOHRSA-N 2 1 341.293 3.235 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000367767577 457978836 /nfs/dbraw/zinc/97/88/36/457978836.db2.gz BOAQTORIOAHUJA-HUUCEWRRSA-N 2 1 339.277 3.180 20 10 EGCDMP Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729683583 574879070 /nfs/dbraw/zinc/87/90/70/574879070.db2.gz PESXBIGJRZHQII-UXHICEINSA-N 2 1 338.451 3.012 20 10 EGCDMP Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729683583 574879074 /nfs/dbraw/zinc/87/90/74/574879074.db2.gz PESXBIGJRZHQII-UXHICEINSA-N 2 1 338.451 3.012 20 10 EGCDMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000715542427 1298280582 /nfs/dbraw/zinc/28/05/82/1298280582.db2.gz LDHHIRBEGPOSCH-NWDGAFQWSA-N 2 1 327.266 3.117 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000756430991 1300488131 /nfs/dbraw/zinc/48/81/31/1300488131.db2.gz LMVBHYPOUMEGJV-HOTGVXAUSA-N 2 1 348.487 3.342 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000756430991 1300488136 /nfs/dbraw/zinc/48/81/36/1300488136.db2.gz LMVBHYPOUMEGJV-HOTGVXAUSA-N 2 1 348.487 3.342 20 10 EGCDMP CC(C)c1cnc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883283530 1302359646 /nfs/dbraw/zinc/35/96/46/1302359646.db2.gz ITUNGFNOCIHEKI-UHFFFAOYSA-N 2 1 344.528 3.308 20 10 EGCDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000769514953 1303133559 /nfs/dbraw/zinc/13/35/59/1303133559.db2.gz PQURLALMNAFOMB-UHFFFAOYSA-N 2 1 347.547 3.323 20 10 EGCDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)ccc1O ZINC000775504472 1303975318 /nfs/dbraw/zinc/97/53/18/1303975318.db2.gz YIGBGAVMIYHBKF-DOTOQJQBSA-N 2 1 340.895 3.323 20 10 EGCDMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C)cc1O ZINC000794811315 1309600764 /nfs/dbraw/zinc/60/07/64/1309600764.db2.gz WTRRIIFALZVDNS-PKOBYXMFSA-N 2 1 332.488 3.385 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c(F)cc(F)cc3F)cc2)CC1 ZINC000815152440 1318914285 /nfs/dbraw/zinc/91/42/85/1318914285.db2.gz SXFQDCSNKJGHGT-UHFFFAOYSA-N 2 1 349.400 3.146 20 10 EGCDMP Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1O ZINC000817960359 1319477894 /nfs/dbraw/zinc/47/78/94/1319477894.db2.gz YEQFUMLLUJBISM-WCQYABFASA-N 2 1 329.282 3.487 20 10 EGCDMP CCC[N@@H+](Cc1cc(Br)cc(C)c1O)C1CC[NH2+]CC1 ZINC000843045660 1321461011 /nfs/dbraw/zinc/46/10/11/1321461011.db2.gz ZYWKLBUBMLVCBJ-UHFFFAOYSA-N 2 1 341.293 3.427 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000843056720 1321463035 /nfs/dbraw/zinc/46/30/35/1321463035.db2.gz XQYFPEDQNDWBKQ-CQSZACIVSA-N 2 1 329.282 3.268 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000843056720 1321463040 /nfs/dbraw/zinc/46/30/40/1321463040.db2.gz XQYFPEDQNDWBKQ-CQSZACIVSA-N 2 1 329.282 3.268 20 10 EGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(C(F)(F)F)c1 ZINC000843113191 1321472837 /nfs/dbraw/zinc/47/28/37/1321472837.db2.gz OJZMNHWSORJGQW-ZDUSSCGKSA-N 2 1 329.410 3.332 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206327011 1371023670 /nfs/dbraw/zinc/02/36/70/1371023670.db2.gz RGTXFFGAQFGSPA-MRXNPFEDSA-N 2 1 341.293 3.414 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206327011 1371023674 /nfs/dbraw/zinc/02/36/74/1371023674.db2.gz RGTXFFGAQFGSPA-MRXNPFEDSA-N 2 1 341.293 3.414 20 10 EGCDMP COc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1O ZINC001203589741 1370180476 /nfs/dbraw/zinc/18/04/76/1370180476.db2.gz MUFKUXAORBGDPE-HZPDHXFCSA-N 2 1 344.480 3.026 20 10 EGCDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)cc1 ZINC001203930741 1370319254 /nfs/dbraw/zinc/31/92/54/1370319254.db2.gz HARFCTVLIOZVFA-HDICACEKSA-N 2 1 341.524 3.378 20 10 EGCDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001203930741 1370319257 /nfs/dbraw/zinc/31/92/57/1370319257.db2.gz HARFCTVLIOZVFA-HDICACEKSA-N 2 1 341.524 3.378 20 10 EGCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001203930741 1370319262 /nfs/dbraw/zinc/31/92/62/1370319262.db2.gz HARFCTVLIOZVFA-HDICACEKSA-N 2 1 341.524 3.378 20 10 EGCDMP Oc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001204277622 1370430278 /nfs/dbraw/zinc/43/02/78/1370430278.db2.gz HBECIAFSNHHAQL-PKOBYXMFSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001204277622 1370430281 /nfs/dbraw/zinc/43/02/81/1370430281.db2.gz HBECIAFSNHHAQL-PKOBYXMFSA-N 2 1 338.451 3.052 20 10 EGCDMP Oc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001204277622 1370430284 /nfs/dbraw/zinc/43/02/84/1370430284.db2.gz HBECIAFSNHHAQL-PKOBYXMFSA-N 2 1 338.451 3.052 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC[C@H]1C[NH3+] ZINC001205636528 1370820795 /nfs/dbraw/zinc/82/07/95/1370820795.db2.gz DGJFORTZDVARRT-NEPJUHHUSA-N 2 1 332.366 3.098 20 10 EGCDMP C[C@@H]1C[NH2+]CC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001206277260 1371010852 /nfs/dbraw/zinc/01/08/52/1371010852.db2.gz PXYNHIHDDBIWNE-MRXNPFEDSA-N 2 1 326.440 3.013 20 10 EGCDMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001206277260 1371010853 /nfs/dbraw/zinc/01/08/53/1371010853.db2.gz PXYNHIHDDBIWNE-MRXNPFEDSA-N 2 1 326.440 3.013 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1O ZINC001206318059 1371020261 /nfs/dbraw/zinc/02/02/61/1371020261.db2.gz LWGNLMQJVBUZAU-INIZCTEOSA-N 2 1 341.293 3.414 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)c2c1 ZINC001206369572 1371035411 /nfs/dbraw/zinc/03/54/11/1371035411.db2.gz FWBXCXKHENIWPI-IBGZPJMESA-N 2 1 332.419 3.207 20 10 EGCDMP Oc1c(Br)cccc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118243090 1371152964 /nfs/dbraw/zinc/15/29/64/1371152964.db2.gz ODDUHPZSQIDULH-UHFFFAOYSA-N 2 1 339.277 3.120 20 10 EGCDMP Oc1c(Br)cccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118243090 1371152967 /nfs/dbraw/zinc/15/29/67/1371152967.db2.gz ODDUHPZSQIDULH-UHFFFAOYSA-N 2 1 339.277 3.120 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1Br ZINC001206806226 1371174430 /nfs/dbraw/zinc/17/44/30/1371174430.db2.gz GICVWWZPKZHPKI-NEPJUHHUSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(O)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1Br ZINC001206806226 1371174435 /nfs/dbraw/zinc/17/44/35/1371174435.db2.gz GICVWWZPKZHPKI-NEPJUHHUSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001231592773 1376273504 /nfs/dbraw/zinc/27/35/04/1376273504.db2.gz UMNGUWLGVWSUCW-IRXDYDNUSA-N 2 1 328.481 3.326 20 10 EGCDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001327241321 1388460271 /nfs/dbraw/zinc/46/02/71/1388460271.db2.gz WVTMTFVFBIILJM-QKNQBKEWSA-N 2 1 343.515 3.005 20 10 EGCDMP Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235941617 1376920242 /nfs/dbraw/zinc/92/02/42/1376920242.db2.gz WHLOJBAKHGULDM-IEBWSBKVSA-N 2 1 338.451 3.013 20 10 EGCDMP CCC[N@H+](Cc1c(O)cccc1OC(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236843842 1376965719 /nfs/dbraw/zinc/96/57/19/1376965719.db2.gz RMBNWMMJXJGXLB-GFCCVEGCSA-N 2 1 332.366 3.112 20 10 EGCDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC001138390340 1377714248 /nfs/dbraw/zinc/71/42/48/1377714248.db2.gz RVYHYYPMFFUBBQ-HXUWFJFHSA-N 2 1 331.504 3.069 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC001138390340 1377714249 /nfs/dbraw/zinc/71/42/49/1377714249.db2.gz RVYHYYPMFFUBBQ-HXUWFJFHSA-N 2 1 331.504 3.069 20 10 EGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(OC)c1 ZINC001138390340 1377714250 /nfs/dbraw/zinc/71/42/50/1377714250.db2.gz RVYHYYPMFFUBBQ-HXUWFJFHSA-N 2 1 331.504 3.069 20 10 EGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(OC)c1 ZINC001138390340 1377714251 /nfs/dbraw/zinc/71/42/51/1377714251.db2.gz RVYHYYPMFFUBBQ-HXUWFJFHSA-N 2 1 331.504 3.069 20 10 EGCDMP CC[N@@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)Cc1ccccc1O ZINC001139259091 1377858686 /nfs/dbraw/zinc/85/86/86/1377858686.db2.gz HWYMMVQZGODVKF-UHFFFAOYSA-N 2 1 344.455 3.190 20 10 EGCDMP Cc1ccc(CC[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001139412441 1377880672 /nfs/dbraw/zinc/88/06/72/1377880672.db2.gz LGQTUSHAEDLIKE-UHFFFAOYSA-N 2 1 337.511 3.421 20 10 EGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCc4sccc4C3)cc2)CC1 ZINC001140302079 1378042871 /nfs/dbraw/zinc/04/28/71/1378042871.db2.gz JMFVWVJQRSXYPV-UHFFFAOYSA-N 2 1 341.524 3.448 20 10 EGCDMP C[N@H+](Cc1cc(O)ccc1O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001141160930 1378254255 /nfs/dbraw/zinc/25/42/55/1378254255.db2.gz JUZRGVNJCHFLCU-UHFFFAOYSA-N 2 1 340.467 3.442 20 10 EGCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C1CC1)C1CC1 ZINC001319815045 1386311198 /nfs/dbraw/zinc/31/11/98/1386311198.db2.gz OAKWIDKCFVBFIO-UHFFFAOYSA-N 2 1 331.479 3.198 20 10 EGCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C1CC1)C1CC1 ZINC001319815045 1386311203 /nfs/dbraw/zinc/31/12/03/1386311203.db2.gz OAKWIDKCFVBFIO-UHFFFAOYSA-N 2 1 331.479 3.198 20 10 EGCDMP C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001338752207 1389752580 /nfs/dbraw/zinc/75/25/80/1389752580.db2.gz UCHDMGOICDKMLL-IRXDYDNUSA-N 2 1 333.495 3.493 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[NH+](C3CCC3)C3CCC3)cc2F)CC1 ZINC001343800266 1390737641 /nfs/dbraw/zinc/73/76/41/1390737641.db2.gz OGFIYSQFCKPQHR-UHFFFAOYSA-N 2 1 331.479 3.485 20 10 EGCDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1O ZINC000184997821 455483601 /nfs/dbraw/zinc/48/36/01/455483601.db2.gz KHZAXWKJTMZWQD-RYUDHWBXSA-N 2 1 339.277 3.290 20 10 EGCDMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1O ZINC000184997821 455483602 /nfs/dbraw/zinc/48/36/02/455483602.db2.gz KHZAXWKJTMZWQD-RYUDHWBXSA-N 2 1 339.277 3.290 20 10 EGCDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000160710642 455490788 /nfs/dbraw/zinc/49/07/88/455490788.db2.gz MNSUQGMHTLCOFB-UXHICEINSA-N 2 1 333.520 3.030 20 10 EGCDMP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1O ZINC000185869892 455638744 /nfs/dbraw/zinc/63/87/44/455638744.db2.gz IYAFIHLHUSJVDA-AWEZNQCLSA-N 2 1 329.419 3.494 20 10 EGCDMP COc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1O ZINC000263692398 456194503 /nfs/dbraw/zinc/19/45/03/456194503.db2.gz PCTIBKTVRSNOBN-UHFFFAOYSA-N 2 1 340.467 3.198 20 10 EGCDMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273439677 456231525 /nfs/dbraw/zinc/23/15/25/456231525.db2.gz YBXYLYNDZKOXSJ-HUUCEWRRSA-N 2 1 336.476 3.340 20 10 EGCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1c(O)ccc2ccccc21 ZINC000366545715 457847428 /nfs/dbraw/zinc/84/74/28/457847428.db2.gz LAIDNZVEMASRCL-PBEJRMEISA-N 2 1 340.467 3.229 20 10 EGCDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000731041570 575046000 /nfs/dbraw/zinc/04/60/00/575046000.db2.gz HFQZEWYRDVUDJN-KRWDZBQOSA-N 2 1 346.475 3.017 20 10 EGCDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000731041570 575046002 /nfs/dbraw/zinc/04/60/02/575046002.db2.gz HFQZEWYRDVUDJN-KRWDZBQOSA-N 2 1 346.475 3.017 20 10 EGCDMP CC[NH+]1CCC([N@H+](C)Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000827973864 1292414679 /nfs/dbraw/zinc/41/46/79/1292414679.db2.gz MWDFPVQGVOQHSK-UHFFFAOYSA-N 2 1 345.531 3.218 20 10 EGCDMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000827973864 1292414686 /nfs/dbraw/zinc/41/46/86/1292414686.db2.gz MWDFPVQGVOQHSK-UHFFFAOYSA-N 2 1 345.531 3.218 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)c2c1 ZINC000246938812 1296377037 /nfs/dbraw/zinc/37/70/37/1296377037.db2.gz HMIMPRNQXGUVLI-OXJNMPFZSA-N 2 1 340.467 3.470 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1 ZINC000246938812 1296377043 /nfs/dbraw/zinc/37/70/43/1296377043.db2.gz HMIMPRNQXGUVLI-OXJNMPFZSA-N 2 1 340.467 3.470 20 10 EGCDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2c1 ZINC000246938812 1296377052 /nfs/dbraw/zinc/37/70/52/1296377052.db2.gz HMIMPRNQXGUVLI-OXJNMPFZSA-N 2 1 340.467 3.470 20 10 EGCDMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1c(O)cccc1F ZINC000886610666 1303522481 /nfs/dbraw/zinc/52/24/81/1303522481.db2.gz GXXYSTXENMBYHE-CQSZACIVSA-N 2 1 347.434 3.108 20 10 EGCDMP Cc1cc(Br)cc([C@H](C)[NH2+]CCc2c[nH+]cn2C)c1O ZINC000788258333 1305910319 /nfs/dbraw/zinc/91/03/19/1305910319.db2.gz VIQXRYSZTUWXGU-NSHDSACASA-N 2 1 338.249 3.090 20 10 EGCDMP COc1cc(C)cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1O ZINC000894433829 1308880541 /nfs/dbraw/zinc/88/05/41/1308880541.db2.gz DKBBFRKPYHRCOK-JKSUJKDBSA-N 2 1 332.488 3.452 20 10 EGCDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000791619374 1309034921 /nfs/dbraw/zinc/03/49/21/1309034921.db2.gz BMRZOAAEJZOJCS-OYRHEFFESA-N 2 1 335.495 3.316 20 10 EGCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC[N@H+]1C ZINC000793003803 1309279861 /nfs/dbraw/zinc/27/98/61/1309279861.db2.gz ZZEFDVXSIPXPFD-OCCSQVGLSA-N 2 1 329.410 3.344 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1O ZINC000839183581 1320888637 /nfs/dbraw/zinc/88/86/37/1320888637.db2.gz YTSRHQNDTVMSGE-ZDUSSCGKSA-N 2 1 341.293 3.285 20 10 EGCDMP CCOc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(O)c1 ZINC000809739007 1317884865 /nfs/dbraw/zinc/88/48/65/1317884865.db2.gz SXGVXOCHRCYSJW-UHFFFAOYSA-N 2 1 328.456 3.485 20 10 EGCDMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)c2ccccc21 ZINC000817887893 1319451662 /nfs/dbraw/zinc/45/16/62/1319451662.db2.gz GOMYVYFBIQASTR-VQTJNVASSA-N 2 1 339.508 3.474 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000817984432 1319485457 /nfs/dbraw/zinc/48/54/57/1319485457.db2.gz YCLFPQLYDXTKAP-KDOFPFPSSA-N 2 1 342.439 3.310 20 10 EGCDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(CC)c2O)[C@@H](C)C1 ZINC000848895310 1322034325 /nfs/dbraw/zinc/03/43/25/1322034325.db2.gz LWWBWEGEFKRICY-QFBILLFUSA-N 2 1 334.504 3.181 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(OC)c1 ZINC001205558067 1370791258 /nfs/dbraw/zinc/79/12/58/1370791258.db2.gz BHZXNPOVGAHOOP-IBGZPJMESA-N 2 1 337.483 3.194 20 10 EGCDMP C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CCC[C@H]1C[NH3+] ZINC001206027700 1370942126 /nfs/dbraw/zinc/94/21/26/1370942126.db2.gz WQPORWVVVSQISG-RYUDHWBXSA-N 2 1 332.366 3.098 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(OC)c1 ZINC001206304228 1371015797 /nfs/dbraw/zinc/01/57/97/1371015797.db2.gz HVYQFLKPGXUHHV-FQEVSTJZSA-N 2 1 333.520 3.492 20 10 EGCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001206324877 1371023493 /nfs/dbraw/zinc/02/34/93/1371023493.db2.gz FHLGBYZXMZMTSH-INIZCTEOSA-N 2 1 346.393 3.284 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CC[NH2+]1 ZINC001210497102 1372366554 /nfs/dbraw/zinc/36/65/54/1372366554.db2.gz KVZHYETUGSBXAT-LBPRGKRZSA-N 2 1 349.272 3.492 20 10 EGCDMP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[NH2+]1 ZINC001210498780 1372367602 /nfs/dbraw/zinc/36/76/02/1372367602.db2.gz RSBCHKXCWDUTLP-MRXNPFEDSA-N 2 1 326.440 3.155 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[NH2+]1 ZINC001210498780 1372367604 /nfs/dbraw/zinc/36/76/04/1372367604.db2.gz RSBCHKXCWDUTLP-MRXNPFEDSA-N 2 1 326.440 3.155 20 10 EGCDMP CC[N@H+](C)C1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138343140 1377706666 /nfs/dbraw/zinc/70/66/66/1377706666.db2.gz YJUXDXMUXJXINL-UHFFFAOYSA-N 2 1 343.515 3.007 20 10 EGCDMP CC[N@@H+](C)C1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138343140 1377706670 /nfs/dbraw/zinc/70/66/70/1377706670.db2.gz YJUXDXMUXJXINL-UHFFFAOYSA-N 2 1 343.515 3.007 20 10 EGCDMP COc1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)cc(C[NH+](C)C)c1O ZINC001139258895 1377858941 /nfs/dbraw/zinc/85/89/41/1377858941.db2.gz ZXTFTEDBRQUHAV-GOSISDBHSA-N 2 1 326.440 3.409 20 10 EGCDMP COc1cc(C[N@H+]2CC[C@@H]2c2ccccc2)cc(C[NH+](C)C)c1O ZINC001139258895 1377858946 /nfs/dbraw/zinc/85/89/46/1377858946.db2.gz ZXTFTEDBRQUHAV-GOSISDBHSA-N 2 1 326.440 3.409 20 10 EGCDMP COc1cc(C[N@@H+](C)CCc2cccc(F)c2)cc(C[NH+](C)C)c1O ZINC001139260247 1377859626 /nfs/dbraw/zinc/85/96/26/1377859626.db2.gz IZBAJFGKPKDKAQ-UHFFFAOYSA-N 2 1 346.446 3.276 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](F)C(F)(F)CC3)cc2)CC1 ZINC001139404705 1377880279 /nfs/dbraw/zinc/88/02/79/1377880279.db2.gz WJRKXHFSICSNRY-QGZVFWFLSA-N 2 1 341.421 3.008 20 10 EGCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)Cc1cccnc1 ZINC001140304260 1378042863 /nfs/dbraw/zinc/04/28/63/1378042863.db2.gz KZMIDXMMMCIISN-UHFFFAOYSA-N 2 1 338.499 3.246 20 10 EGCDMP COc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3[NH+](C)C)CC2)cc1 ZINC001340525756 1390305863 /nfs/dbraw/zinc/30/58/63/1390305863.db2.gz DNKQDSWLYMLIGE-WOJBJXKFSA-N 2 1 331.504 3.126 20 10 EGCDMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000154814425 454932345 /nfs/dbraw/zinc/93/23/45/454932345.db2.gz RIQYZVGEROELPS-GOSISDBHSA-N 2 1 345.531 3.438 20 10 EGCDMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)cc1O ZINC000185231912 455525519 /nfs/dbraw/zinc/52/55/19/455525519.db2.gz RTQQIDIJINDKGK-AWEZNQCLSA-N 2 1 332.419 3.323 20 10 EGCDMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(F)cc3O)CC2)nc(C)n1 ZINC000185654783 455590446 /nfs/dbraw/zinc/59/04/46/455590446.db2.gz FFGBYINOROYRGR-ZDUSSCGKSA-N 2 1 344.434 3.258 20 10 EGCDMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000268813802 455714653 /nfs/dbraw/zinc/71/46/53/455714653.db2.gz FPEXOQACVVNVQB-GHTZIAJQSA-N 2 1 345.531 3.174 20 10 EGCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000273440184 456231376 /nfs/dbraw/zinc/23/13/76/456231376.db2.gz YGISTQKLZRFXFR-GFCCVEGCSA-N 2 1 334.460 3.139 20 10 EGCDMP Cc1cc(N2CCC([NH2+][C@@H]3CCc4cccc(O)c43)CC2)nc(C)[nH+]1 ZINC000297856763 456311666 /nfs/dbraw/zinc/31/16/66/456311666.db2.gz TWSUJMSAITXMFF-QGZVFWFLSA-N 2 1 338.455 3.045 20 10 EGCDMP [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000827949855 1292410823 /nfs/dbraw/zinc/41/08/23/1292410823.db2.gz OKSQYQKUDGJJMG-CYBMUJFWSA-N 2 1 326.843 3.396 20 10 EGCDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000092587811 1292876962 /nfs/dbraw/zinc/87/69/62/1292876962.db2.gz FDOMHBRAJZYTPE-INIZCTEOSA-N 2 1 346.471 3.065 20 10 EGCDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000092587811 1292876978 /nfs/dbraw/zinc/87/69/78/1292876978.db2.gz FDOMHBRAJZYTPE-INIZCTEOSA-N 2 1 346.471 3.065 20 10 EGCDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000246985511 1296378343 /nfs/dbraw/zinc/37/83/43/1296378343.db2.gz HMEFGQNGHDYZIQ-HOTGVXAUSA-N 2 1 346.471 3.207 20 10 EGCDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000246985511 1296378353 /nfs/dbraw/zinc/37/83/53/1296378353.db2.gz HMEFGQNGHDYZIQ-HOTGVXAUSA-N 2 1 346.471 3.207 20 10 EGCDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000246985511 1296378363 /nfs/dbraw/zinc/37/83/63/1296378363.db2.gz HMEFGQNGHDYZIQ-HOTGVXAUSA-N 2 1 346.471 3.207 20 10 EGCDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000246985511 1296378370 /nfs/dbraw/zinc/37/83/70/1296378370.db2.gz HMEFGQNGHDYZIQ-HOTGVXAUSA-N 2 1 346.471 3.207 20 10 EGCDMP COc1ccc(N2CCC([NH2+][C@@H](C)C[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000765302148 1302241869 /nfs/dbraw/zinc/24/18/69/1302241869.db2.gz VMTUFVLCZNACJW-MSOLQXFVSA-N 2 1 345.531 3.374 20 10 EGCDMP COc1ccc(N2CCC([NH2+][C@@H](C)C[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000765302148 1302241880 /nfs/dbraw/zinc/24/18/80/1302241880.db2.gz VMTUFVLCZNACJW-MSOLQXFVSA-N 2 1 345.531 3.374 20 10 EGCDMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000765972595 1302358884 /nfs/dbraw/zinc/35/88/84/1302358884.db2.gz BHKMASPBELXFHU-OXJNMPFZSA-N 2 1 331.504 3.047 20 10 EGCDMP CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775206033 1303925604 /nfs/dbraw/zinc/92/56/04/1303925604.db2.gz UCPDJEPLRHGUQH-NRFANRHFSA-N 2 1 345.531 3.220 20 10 EGCDMP COc1ccc(O)c(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000775664647 1304008962 /nfs/dbraw/zinc/00/89/62/1304008962.db2.gz OFKGUSDVZKONAA-IRXDYDNUSA-N 2 1 332.488 3.487 20 10 EGCDMP COc1ccc(O)c(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000775664647 1304008967 /nfs/dbraw/zinc/00/89/67/1304008967.db2.gz OFKGUSDVZKONAA-IRXDYDNUSA-N 2 1 332.488 3.487 20 10 EGCDMP COc1ccc(O)c(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000775664647 1304008973 /nfs/dbraw/zinc/00/89/73/1304008973.db2.gz OFKGUSDVZKONAA-IRXDYDNUSA-N 2 1 332.488 3.487 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000776222290 1304116895 /nfs/dbraw/zinc/11/68/95/1304116895.db2.gz BFZJYRZNSVHFRA-SMDDNHRTSA-N 2 1 327.266 3.035 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000776222290 1304116899 /nfs/dbraw/zinc/11/68/99/1304116899.db2.gz BFZJYRZNSVHFRA-SMDDNHRTSA-N 2 1 327.266 3.035 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCSC(C)(C)CC3)cc2)CC1 ZINC000789762940 1306212022 /nfs/dbraw/zinc/21/20/22/1306212022.db2.gz BUEAVEAETWUUFU-UHFFFAOYSA-N 2 1 333.545 3.156 20 10 EGCDMP CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000858196187 1328709446 /nfs/dbraw/zinc/70/94/46/1328709446.db2.gz JETNYWUOEQPEKA-HNNXBMFYSA-N 2 1 337.458 3.242 20 10 EGCDMP CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000858196187 1328709451 /nfs/dbraw/zinc/70/94/51/1328709451.db2.gz JETNYWUOEQPEKA-HNNXBMFYSA-N 2 1 337.458 3.242 20 10 EGCDMP C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C[NH+](C)C ZINC000813877367 1318648266 /nfs/dbraw/zinc/64/82/66/1318648266.db2.gz UCBGTWOWXGQSEP-CABCVRRESA-N 2 1 339.911 3.025 20 10 EGCDMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000843117302 1321473635 /nfs/dbraw/zinc/47/36/35/1321473635.db2.gz OHCJTNDZGWHTKR-FQEVSTJZSA-N 2 1 326.440 3.142 20 10 EGCDMP Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1N(C)C ZINC000923402106 1322745504 /nfs/dbraw/zinc/74/55/04/1322745504.db2.gz TZYFMFKAJQWFMW-CABCVRRESA-N 2 1 329.410 3.020 20 10 EGCDMP Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1N(C)C ZINC000923402106 1322745506 /nfs/dbraw/zinc/74/55/06/1322745506.db2.gz TZYFMFKAJQWFMW-CABCVRRESA-N 2 1 329.410 3.020 20 10 EGCDMP Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1N(C)C ZINC000923402111 1322745860 /nfs/dbraw/zinc/74/58/60/1322745860.db2.gz TZYFMFKAJQWFMW-HUUCEWRRSA-N 2 1 329.410 3.020 20 10 EGCDMP Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1N(C)C ZINC000923402111 1322745864 /nfs/dbraw/zinc/74/58/64/1322745864.db2.gz TZYFMFKAJQWFMW-HUUCEWRRSA-N 2 1 329.410 3.020 20 10 EGCDMP COc1cccc(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)c1O ZINC001203592164 1370181288 /nfs/dbraw/zinc/18/12/88/1370181288.db2.gz QKNKBFRIIUXNMA-UHFFFAOYSA-N 2 1 330.472 3.241 20 10 EGCDMP COc1cccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c1O ZINC001203592164 1370181290 /nfs/dbraw/zinc/18/12/90/1370181290.db2.gz QKNKBFRIIUXNMA-UHFFFAOYSA-N 2 1 330.472 3.241 20 10 EGCDMP COc1cccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c1O ZINC001203592164 1370181296 /nfs/dbraw/zinc/18/12/96/1370181296.db2.gz QKNKBFRIIUXNMA-UHFFFAOYSA-N 2 1 330.472 3.241 20 10 EGCDMP Oc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1O ZINC001203880855 1370298036 /nfs/dbraw/zinc/29/80/36/1370298036.db2.gz JFPSFAOUPKEIMF-MOPGFXCFSA-N 2 1 338.451 3.052 20 10 EGCDMP C[N@H+](Cc1ccc(O)cc1O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001204278810 1370430647 /nfs/dbraw/zinc/43/06/47/1370430647.db2.gz KAKQSUDQEAOFFZ-UHFFFAOYSA-N 2 1 340.467 3.442 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC[C@H]1C[NH3+] ZINC001205652500 1370828180 /nfs/dbraw/zinc/82/81/80/1370828180.db2.gz PTESOWDXLXBWMJ-STQMWFEESA-N 2 1 346.393 3.140 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CC[C@H]1C[NH3+] ZINC001205652015 1370828316 /nfs/dbraw/zinc/82/83/16/1370828316.db2.gz NGEQZDHIJXEXJP-RYUDHWBXSA-N 2 1 332.366 3.098 20 10 EGCDMP C[C@@H]1CC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205652016 1370828838 /nfs/dbraw/zinc/82/88/38/1370828838.db2.gz NGEQZDHIJXEXJP-VXGBXAGGSA-N 2 1 332.366 3.098 20 10 EGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1O ZINC001206011972 1370937616 /nfs/dbraw/zinc/93/76/16/1370937616.db2.gz HUUPXDYXJLUBIR-STQMWFEESA-N 2 1 341.293 3.270 20 10 EGCDMP C[C@H]1C[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCC[C@@H]1C[NH3+] ZINC001206034786 1370944727 /nfs/dbraw/zinc/94/47/27/1370944727.db2.gz AAUCQCBDKQJQCI-LSDHHAIUSA-N 2 1 330.472 3.383 20 10 EGCDMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001206276541 1371009792 /nfs/dbraw/zinc/00/97/92/1371009792.db2.gz GDPFBQZGZXJXPX-MRXNPFEDSA-N 2 1 326.440 3.013 20 10 EGCDMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001206276541 1371009795 /nfs/dbraw/zinc/00/97/95/1371009795.db2.gz GDPFBQZGZXJXPX-MRXNPFEDSA-N 2 1 326.440 3.013 20 10 EGCDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC001206541730 1371087313 /nfs/dbraw/zinc/08/73/13/1371087313.db2.gz INHHCRFQNZKTFT-OAHLLOKOSA-N 2 1 327.266 3.106 20 10 EGCDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001206563889 1371095300 /nfs/dbraw/zinc/09/53/00/1371095300.db2.gz JTJGHVBFIJFVKY-OAHLLOKOSA-N 2 1 332.366 3.242 20 10 EGCDMP COc1cc(C[N@H+]2CCCC(F)(F)CC2)cc(C[NH+](C)C)c1O ZINC001139252898 1377858633 /nfs/dbraw/zinc/85/86/33/1377858633.db2.gz DTLPEGKMHJDWNK-UHFFFAOYSA-N 2 1 328.403 3.084 20 10 EGCDMP Cc1ccc(O)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001140621085 1378099749 /nfs/dbraw/zinc/09/97/49/1378099749.db2.gz GXZSJBWOFMZKCD-QUCCMNQESA-N 2 1 337.467 3.050 20 10 EGCDMP Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001140621085 1378099752 /nfs/dbraw/zinc/09/97/52/1378099752.db2.gz GXZSJBWOFMZKCD-QUCCMNQESA-N 2 1 337.467 3.050 20 10 EGCDMP Cc1ccc(O)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001140621085 1378099754 /nfs/dbraw/zinc/09/97/54/1378099754.db2.gz GXZSJBWOFMZKCD-QUCCMNQESA-N 2 1 337.467 3.050 20 10 EGCDMP Cc1ccc(O)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001140621085 1378099755 /nfs/dbraw/zinc/09/97/55/1378099755.db2.gz GXZSJBWOFMZKCD-QUCCMNQESA-N 2 1 337.467 3.050 20 10 EGCDMP C[NH+]1C(C)(C)CC([N@H+]2CCCc3cc(O)c(O)cc3C2)CC1(C)C ZINC001171642272 1384590382 /nfs/dbraw/zinc/59/03/82/1384590382.db2.gz IIDXKZAKVWUSQF-UHFFFAOYSA-N 2 1 332.488 3.497 20 10 EGCDMP CC(C)OC(=O)CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001172746916 1384842654 /nfs/dbraw/zinc/84/26/54/1384842654.db2.gz WCNYMOMOUKQWGK-INIZCTEOSA-N 2 1 348.487 3.067 20 10 EGCDMP CC[C@@H](CSC)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329847302 1389236082 /nfs/dbraw/zinc/23/60/82/1389236082.db2.gz DOXCGXQNONCURS-INIZCTEOSA-N 2 1 339.524 3.151 20 10 EGCDMP CC[C@@H](CSC)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329847302 1389236085 /nfs/dbraw/zinc/23/60/85/1389236085.db2.gz DOXCGXQNONCURS-INIZCTEOSA-N 2 1 339.524 3.151 20 10 EGCDMP COc1ccc(N2CCC([NH2+]CC[N@H+](C)C3CCCC3)CC2)cc1 ZINC000133248691 454404071 /nfs/dbraw/zinc/40/40/71/454404071.db2.gz FFCMOYZEEKUECF-UHFFFAOYSA-N 2 1 331.504 3.128 20 10 EGCDMP COc1ccc(N2CCC([NH2+]CC[N@@H+](C)C3CCCC3)CC2)cc1 ZINC000133248691 454404076 /nfs/dbraw/zinc/40/40/76/454404076.db2.gz FFCMOYZEEKUECF-UHFFFAOYSA-N 2 1 331.504 3.128 20 10 EGCDMP COc1cccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000311188448 456588149 /nfs/dbraw/zinc/58/81/49/456588149.db2.gz DFUGKKUXKVEERU-OAQYLSRUSA-N 2 1 340.467 3.403 20 10 EGCDMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743543096 576811564 /nfs/dbraw/zinc/81/15/64/576811564.db2.gz GOKRFWRYNXISOJ-UHFFFAOYSA-N 2 1 348.491 3.263 20 10 EGCDMP CCOc1cccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c1O ZINC000236926624 1296211492 /nfs/dbraw/zinc/21/14/92/1296211492.db2.gz XIKSAPXWGWUAPU-UHFFFAOYSA-N 2 1 328.456 3.403 20 10 EGCDMP CCOc1cccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1O ZINC000236926624 1296211501 /nfs/dbraw/zinc/21/15/01/1296211501.db2.gz XIKSAPXWGWUAPU-UHFFFAOYSA-N 2 1 328.456 3.403 20 10 EGCDMP COc1ccc(O)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000708563435 1298242962 /nfs/dbraw/zinc/24/29/62/1298242962.db2.gz XIECOEQKFSIEQX-QFBILLFUSA-N 2 1 340.467 3.259 20 10 EGCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000756420101 1300486908 /nfs/dbraw/zinc/48/69/08/1300486908.db2.gz HCPYHUWXGKUYJY-JYJNAYRXSA-N 2 1 348.487 3.197 20 10 EGCDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000762650168 1301720993 /nfs/dbraw/zinc/72/09/93/1301720993.db2.gz POZXIRBCEQIBAZ-IRXDYDNUSA-N 2 1 346.515 3.423 20 10 EGCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768466720 1302913707 /nfs/dbraw/zinc/91/37/07/1302913707.db2.gz VGISEZGGKLZOFM-HXUWFJFHSA-N 2 1 346.515 3.204 20 10 EGCDMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000788258876 1305909658 /nfs/dbraw/zinc/90/96/58/1305909658.db2.gz YUNLSFKHYBROCS-OAHLLOKOSA-N 2 1 330.451 3.443 20 10 EGCDMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788622477 1305985169 /nfs/dbraw/zinc/98/51/69/1305985169.db2.gz AWIAATAORRVUED-QWHCGFSZSA-N 2 1 348.409 3.418 20 10 EGCDMP CN1CCCc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)ccc21 ZINC000903083151 1317649115 /nfs/dbraw/zinc/64/91/15/1317649115.db2.gz ADSZSOQIVVWHJL-CTXDPNEZSA-N 2 1 325.500 3.316 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](C4CC4)[C@@H]3C3CC3)cc2)CC1 ZINC000824942026 1320298433 /nfs/dbraw/zinc/29/84/33/1320298433.db2.gz UONYBXZLVZJFHY-SFTDATJTSA-N 2 1 325.500 3.059 20 10 EGCDMP CC[N@@H+](Cc1occc1C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000840969666 1321190744 /nfs/dbraw/zinc/19/07/44/1321190744.db2.gz HSYIDZUFOLFBKF-UHFFFAOYSA-N 2 1 327.472 3.362 20 10 EGCDMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000841039004 1321206495 /nfs/dbraw/zinc/20/64/95/1321206495.db2.gz WTTVEIPRHYRDHF-SFHVURJKSA-N 2 1 328.456 3.434 20 10 EGCDMP C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000841099576 1321218254 /nfs/dbraw/zinc/21/82/54/1321218254.db2.gz MGGDBOXJGAVCDI-RDJZCZTQSA-N 2 1 346.475 3.002 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000841099576 1321218258 /nfs/dbraw/zinc/21/82/58/1321218258.db2.gz MGGDBOXJGAVCDI-RDJZCZTQSA-N 2 1 346.475 3.002 20 10 EGCDMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841745591 1321305575 /nfs/dbraw/zinc/30/55/75/1321305575.db2.gz QNICVCNBHHYFQB-OAHLLOKOSA-N 2 1 339.911 3.114 20 10 EGCDMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@@H]1[NH3+] ZINC000843051440 1321462264 /nfs/dbraw/zinc/46/22/64/1321462264.db2.gz HTVFUPYJQYXUKL-KXBFYZLASA-N 2 1 326.440 3.140 20 10 EGCDMP CC[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)CC[C@H]1[NH3+] ZINC000843052336 1321462391 /nfs/dbraw/zinc/46/23/91/1321462391.db2.gz OWDNYFHGWXLLFW-BXUZGUMPSA-N 2 1 327.266 3.022 20 10 EGCDMP CC[C@@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)CC[C@H]1[NH3+] ZINC000843052336 1321462393 /nfs/dbraw/zinc/46/23/93/1321462393.db2.gz OWDNYFHGWXLLFW-BXUZGUMPSA-N 2 1 327.266 3.022 20 10 EGCDMP COc1cccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1O ZINC000846144372 1321771372 /nfs/dbraw/zinc/77/13/72/1321771372.db2.gz LXRQFAGZBNOMEU-ZDUSSCGKSA-N 2 1 338.411 3.141 20 10 EGCDMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000850034599 1322186739 /nfs/dbraw/zinc/18/67/39/1322186739.db2.gz IEMSJYSDYSTAQT-HZPDHXFCSA-N 2 1 332.488 3.415 20 10 EGCDMP COc1cccc(O)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000865661598 1329726477 /nfs/dbraw/zinc/72/64/77/1329726477.db2.gz UQJCJRYYQDTEDB-WMZOPIPTSA-N 2 1 340.467 3.259 20 10 EGCDMP COc1cccc(O)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000865661595 1329726545 /nfs/dbraw/zinc/72/65/45/1329726545.db2.gz UQJCJRYYQDTEDB-AEFFLSMTSA-N 2 1 340.467 3.259 20 10 EGCDMP Cc1csc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001324691751 1387738841 /nfs/dbraw/zinc/73/88/41/1387738841.db2.gz BJXMQXYHLQAEMH-UHFFFAOYSA-N 2 1 333.476 3.237 20 10 EGCDMP CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001324904995 1387814210 /nfs/dbraw/zinc/81/42/10/1387814210.db2.gz QRZXDQKGONCRRW-OALUTQOASA-N 2 1 333.545 3.154 20 10 EGCDMP CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001324904997 1387814430 /nfs/dbraw/zinc/81/44/30/1387814430.db2.gz QRZXDQKGONCRRW-RTBURBONSA-N 2 1 333.545 3.154 20 10 EGCDMP C[C@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)C[C@H]1C[NH3+] ZINC001205317971 1370719989 /nfs/dbraw/zinc/71/99/89/1370719989.db2.gz RBYQLIRXGHIQQA-QFBILLFUSA-N 2 1 340.467 3.388 20 10 EGCDMP CC[N@@H+](Cc1ccc(CN2CCOCC2)cc1)Cc1ccccc1O ZINC001206722614 1371145400 /nfs/dbraw/zinc/14/54/00/1371145400.db2.gz PNBREMACBVSQTM-UHFFFAOYSA-N 2 1 340.467 3.247 20 10 EGCDMP Oc1ccc(Br)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038190 1376836904 /nfs/dbraw/zinc/83/69/04/1376836904.db2.gz DNLYKESQHAIOJK-MRXNPFEDSA-N 2 1 339.277 3.263 20 10 EGCDMP Oc1ccc(Br)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038190 1376836907 /nfs/dbraw/zinc/83/69/07/1376836907.db2.gz DNLYKESQHAIOJK-MRXNPFEDSA-N 2 1 339.277 3.263 20 10 EGCDMP CCC[N@H+](Cc1cc(C)c(Br)cc1O)C[C@H]1CC[NH2+]C1 ZINC001236843825 1376965425 /nfs/dbraw/zinc/96/54/25/1376965425.db2.gz LYYBRQGGGVKPBJ-ZDUSSCGKSA-N 2 1 341.293 3.285 20 10 EGCDMP COc1cc(C[N@@H+]2CCc3sccc3C2)cc(C[NH+](C)C)c1O ZINC001139256131 1377857880 /nfs/dbraw/zinc/85/78/80/1377857880.db2.gz UUWPKCPKWMEGDK-UHFFFAOYSA-N 2 1 332.469 3.082 20 10 EGCDMP COc1cc(C[N@H+]2CCc3sccc3C2)cc(C[NH+](C)C)c1O ZINC001139256131 1377857881 /nfs/dbraw/zinc/85/78/81/1377857881.db2.gz UUWPKCPKWMEGDK-UHFFFAOYSA-N 2 1 332.469 3.082 20 10 EGCDMP COc1cc(C[N@@H+](C)CCc2ccccc2)cc(C[NH+](C)C)c1O ZINC001139253498 1377858357 /nfs/dbraw/zinc/85/83/57/1377858357.db2.gz WFDBWZCHFZGMOQ-UHFFFAOYSA-N 2 1 328.456 3.137 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](c4ccco4)C3)cc2F)CC1 ZINC001319706735 1386261231 /nfs/dbraw/zinc/26/12/31/1386261231.db2.gz ASFLOCZYZGSBRX-QGZVFWFLSA-N 2 1 343.446 3.160 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](c4ccco4)C3)cc2F)CC1 ZINC001319706735 1386261234 /nfs/dbraw/zinc/26/12/34/1386261234.db2.gz ASFLOCZYZGSBRX-QGZVFWFLSA-N 2 1 343.446 3.160 20 10 EGCDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319964571 1386422678 /nfs/dbraw/zinc/42/26/78/1386422678.db2.gz VGQXNUFURDMXOI-HXUWFJFHSA-N 2 1 327.516 3.451 20 10 EGCDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319964571 1386422680 /nfs/dbraw/zinc/42/26/80/1386422680.db2.gz VGQXNUFURDMXOI-HXUWFJFHSA-N 2 1 327.516 3.451 20 10 EGCDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319964571 1386422683 /nfs/dbraw/zinc/42/26/83/1386422683.db2.gz VGQXNUFURDMXOI-HXUWFJFHSA-N 2 1 327.516 3.451 20 10 EGCDMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(N(C)C)cc1 ZINC000154493927 454901427 /nfs/dbraw/zinc/90/14/27/454901427.db2.gz UPEQFCAFDIWMMO-OAQYLSRUSA-N 2 1 346.563 3.211 20 10 EGCDMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000268813806 455714617 /nfs/dbraw/zinc/71/46/17/455714617.db2.gz FPEXOQACVVNVQB-RXVVDRJESA-N 2 1 345.531 3.174 20 10 EGCDMP C[N@@H+](Cc1cc(Br)ccc1O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289218465 456117175 /nfs/dbraw/zinc/11/71/75/456117175.db2.gz CIMZLXZMIHRBOW-YIONKMFJSA-N 2 1 339.277 3.212 20 10 EGCDMP C[NH+](Cc1cc(Br)ccc1O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289218465 456117178 /nfs/dbraw/zinc/11/71/78/456117178.db2.gz CIMZLXZMIHRBOW-YIONKMFJSA-N 2 1 339.277 3.212 20 10 EGCDMP C[NH+](Cc1cc(Br)ccc1O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289218465 456117181 /nfs/dbraw/zinc/11/71/81/456117181.db2.gz CIMZLXZMIHRBOW-YIONKMFJSA-N 2 1 339.277 3.212 20 10 EGCDMP Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729683582 574879088 /nfs/dbraw/zinc/87/90/88/574879088.db2.gz PESXBIGJRZHQII-PMACEKPBSA-N 2 1 338.451 3.012 20 10 EGCDMP Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729683582 574879091 /nfs/dbraw/zinc/87/90/91/574879091.db2.gz PESXBIGJRZHQII-PMACEKPBSA-N 2 1 338.451 3.012 20 10 EGCDMP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000873138997 1297293619 /nfs/dbraw/zinc/29/36/19/1297293619.db2.gz QQOHFHOMLOHKSX-LJQANCHMSA-N 2 1 332.488 3.127 20 10 EGCDMP CN(Cc1c(O)cccc1Br)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000707165861 1298226211 /nfs/dbraw/zinc/22/62/11/1298226211.db2.gz LWJQYYGTBPYHTO-FUNVUKJBSA-N 2 1 339.277 3.212 20 10 EGCDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000756791746 1300566761 /nfs/dbraw/zinc/56/67/61/1300566761.db2.gz UXMDUDMZSUBSRO-SNVBAGLBSA-N 2 1 343.240 3.206 20 10 EGCDMP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1c(O)cccc1F ZINC000886506161 1303479942 /nfs/dbraw/zinc/47/99/42/1303479942.db2.gz FDGCCVUIPBXDSN-AWEZNQCLSA-N 2 1 332.419 3.323 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3ccccn3)cc2)CC1 ZINC000775650477 1304005537 /nfs/dbraw/zinc/00/55/37/1304005537.db2.gz DOLOGUNXPMSYDA-OAQYLSRUSA-N 2 1 336.483 3.171 20 10 EGCDMP C[N@@H+](CCc1cccs1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775724239 1304021595 /nfs/dbraw/zinc/02/15/95/1304021595.db2.gz KRQLIOUECXCHSO-UHFFFAOYSA-N 2 1 329.513 3.174 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000776222287 1304116553 /nfs/dbraw/zinc/11/65/53/1304116553.db2.gz BFZJYRZNSVHFRA-BXUZGUMPSA-N 2 1 327.266 3.035 20 10 EGCDMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000776222287 1304116559 /nfs/dbraw/zinc/11/65/59/1304116559.db2.gz BFZJYRZNSVHFRA-BXUZGUMPSA-N 2 1 327.266 3.035 20 10 EGCDMP COc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c(O)c1OC ZINC000892583784 1305453657 /nfs/dbraw/zinc/45/36/57/1305453657.db2.gz FADZJRPAUWJDSZ-OAHLLOKOSA-N 2 1 336.476 3.011 20 10 EGCDMP Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)c1O ZINC000788258329 1305909843 /nfs/dbraw/zinc/90/98/43/1305909843.db2.gz VIQXRYSZTUWXGU-LLVKDONJSA-N 2 1 338.249 3.090 20 10 EGCDMP COCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC[C@H](C)C1 ZINC000792192856 1309139448 /nfs/dbraw/zinc/13/94/48/1309139448.db2.gz OJGKAAGPVITYKA-RXVVDRJESA-N 2 1 345.531 3.075 20 10 EGCDMP CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(C(F)(F)F)c1 ZINC000792972724 1309272524 /nfs/dbraw/zinc/27/25/24/1309272524.db2.gz AXOHCJLLRCRBCX-ZDUSSCGKSA-N 2 1 329.410 3.203 20 10 EGCDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000858127671 1328689962 /nfs/dbraw/zinc/68/99/62/1328689962.db2.gz MEDULWVQYQXTEX-AWEZNQCLSA-N 2 1 325.447 3.241 20 10 EGCDMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000858127671 1328689959 /nfs/dbraw/zinc/68/99/59/1328689959.db2.gz MEDULWVQYQXTEX-AWEZNQCLSA-N 2 1 325.447 3.241 20 10 EGCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OCC)cc1O ZINC000809755996 1317891489 /nfs/dbraw/zinc/89/14/89/1317891489.db2.gz NMJYCIZGCGSPGJ-UHFFFAOYSA-N 2 1 331.460 3.462 20 10 EGCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OCC)cc1O ZINC000809755996 1317891495 /nfs/dbraw/zinc/89/14/95/1317891495.db2.gz NMJYCIZGCGSPGJ-UHFFFAOYSA-N 2 1 331.460 3.462 20 10 EGCDMP Cc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(O)c1 ZINC000815579964 1319020978 /nfs/dbraw/zinc/02/09/78/1319020978.db2.gz ZQNFLOWTWQNGAA-SJLPKXTDSA-N 2 1 332.488 3.303 20 10 EGCDMP CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841009375 1321199124 /nfs/dbraw/zinc/19/91/24/1321199124.db2.gz NVBIQDUEPFKUJG-QWHCGFSZSA-N 2 1 341.293 3.365 20 10 EGCDMP CC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000843050180 1321461445 /nfs/dbraw/zinc/46/14/45/1321461445.db2.gz ALQCOKMGPWRAMK-SJORKVTESA-N 2 1 346.475 3.144 20 10 EGCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000843050180 1321461448 /nfs/dbraw/zinc/46/14/48/1321461448.db2.gz ALQCOKMGPWRAMK-SJORKVTESA-N 2 1 346.475 3.144 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843120211 1321473608 /nfs/dbraw/zinc/47/36/08/1321473608.db2.gz YUEPWIYZUOZWCG-UHFFFAOYSA-N 2 1 339.277 3.039 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843120211 1321473611 /nfs/dbraw/zinc/47/36/11/1321473611.db2.gz YUEPWIYZUOZWCG-UHFFFAOYSA-N 2 1 339.277 3.039 20 10 EGCDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000863646938 1329570153 /nfs/dbraw/zinc/57/01/53/1329570153.db2.gz SDEAGKIADIXDAH-RDJZCZTQSA-N 2 1 343.437 3.492 20 10 EGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000863646938 1329570156 /nfs/dbraw/zinc/57/01/56/1329570156.db2.gz SDEAGKIADIXDAH-RDJZCZTQSA-N 2 1 343.437 3.492 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205651410 1370828963 /nfs/dbraw/zinc/82/89/63/1370828963.db2.gz DXYPFTFSDMVPPM-OLZOCXBDSA-N 2 1 341.293 3.270 20 10 EGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205651410 1370828968 /nfs/dbraw/zinc/82/89/68/1370828968.db2.gz DXYPFTFSDMVPPM-OLZOCXBDSA-N 2 1 341.293 3.270 20 10 EGCDMP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(F)(F)F ZINC001325242648 1387920954 /nfs/dbraw/zinc/92/09/54/1387920954.db2.gz SOHSZBOQAMYPAZ-ZDUSSCGKSA-N 2 1 347.400 3.256 20 10 EGCDMP Cc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(O)cc1Br ZINC001205604306 1370807840 /nfs/dbraw/zinc/80/78/40/1370807840.db2.gz UTCCIFNXWDVTAR-OAHLLOKOSA-N 2 1 345.256 3.116 20 10 EGCDMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)c2c1 ZINC001205638483 1370823387 /nfs/dbraw/zinc/82/33/87/1370823387.db2.gz OLOHPMZHUXYQNZ-ZBFHGGJFSA-N 2 1 328.456 3.361 20 10 EGCDMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(O)cc1Br ZINC001205666066 1370834759 /nfs/dbraw/zinc/83/47/59/1370834759.db2.gz ZGYPKMKKSMADIN-YPMHNXCESA-N 2 1 341.293 3.270 20 10 EGCDMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1O ZINC001205913478 1370908339 /nfs/dbraw/zinc/90/83/39/1370908339.db2.gz ILJGWCODTRVGRC-NEPJUHHUSA-N 2 1 327.266 3.022 20 10 EGCDMP C[C@@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001206026278 1370942067 /nfs/dbraw/zinc/94/20/67/1370942067.db2.gz RGEJXZCBXNPROD-VXGBXAGGSA-N 2 1 332.366 3.098 20 10 EGCDMP Cc1cc(O)c(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC001206806228 1371174985 /nfs/dbraw/zinc/17/49/85/1371174985.db2.gz GICVWWZPKZHPKI-RYUDHWBXSA-N 2 1 327.266 3.022 20 10 EGCDMP Cc1cc(O)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC001206806228 1371174988 /nfs/dbraw/zinc/17/49/88/1371174988.db2.gz GICVWWZPKZHPKI-RYUDHWBXSA-N 2 1 327.266 3.022 20 10 EGCDMP Oc1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430890 1376872388 /nfs/dbraw/zinc/87/23/88/1376872388.db2.gz YKFKSKHZOLDWTO-STQMWFEESA-N 2 1 326.843 3.396 20 10 EGCDMP Oc1cc(Cl)c(F)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430890 1376872394 /nfs/dbraw/zinc/87/23/94/1376872394.db2.gz YKFKSKHZOLDWTO-STQMWFEESA-N 2 1 326.843 3.396 20 10 EGCDMP COc1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc(C[NH+](C)C)c1O ZINC001139256475 1377858641 /nfs/dbraw/zinc/85/86/41/1377858641.db2.gz CZLFBJLFEURNJO-GOSISDBHSA-N 2 1 341.455 3.195 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3nccs3)cc2)CC1 ZINC001139412082 1377880608 /nfs/dbraw/zinc/88/06/08/1377880608.db2.gz CNMMLMKNIZSHOI-SFHVURJKSA-N 2 1 342.512 3.232 20 10 EGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3nccs3)cc2)CC1 ZINC001139412082 1377880609 /nfs/dbraw/zinc/88/06/09/1377880609.db2.gz CNMMLMKNIZSHOI-SFHVURJKSA-N 2 1 342.512 3.232 20 10 EGCDMP Cc1cc(N2CC[NH+](Cc3ccc(N(C)C)cc3Cl)CC2)cc[nH+]1 ZINC001140926760 1378183625 /nfs/dbraw/zinc/18/36/25/1378183625.db2.gz UIJMSHANTDVSCF-UHFFFAOYSA-N 2 1 344.890 3.432 20 10 EGCDMP COc1cc(O)c(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c(OC)c1 ZINC001141028847 1378212408 /nfs/dbraw/zinc/21/24/08/1378212408.db2.gz BYACRZGRVDCUSF-HOTGVXAUSA-N 2 1 348.487 3.248 20 10 EGCDMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H]1C ZINC001338751766 1389752076 /nfs/dbraw/zinc/75/20/76/1389752076.db2.gz QPIGELJEFPGZCO-MDZRGWNJSA-N 2 1 333.495 3.492 20 10 EGCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cc(F)cc(F)c1 ZINC001339286360 1389974812 /nfs/dbraw/zinc/97/48/12/1389974812.db2.gz CIOHFGUWNZFUKQ-UHFFFAOYSA-N 2 1 345.437 3.349 20 10 EGCDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC001348447484 1391220901 /nfs/dbraw/zinc/22/09/01/1391220901.db2.gz QDKJGHKUUJZJRM-DOTOQJQBSA-N 2 1 341.421 3.246 20 10 EGCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC001348447484 1391220904 /nfs/dbraw/zinc/22/09/04/1391220904.db2.gz QDKJGHKUUJZJRM-DOTOQJQBSA-N 2 1 341.421 3.246 20 10 EGCDMP