smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2C(C)(C)CCCC2(C)C)cc1 ZINC000016739461 201979700 /nfs/dbraw/zinc/97/97/00/201979700.db2.gz SJOWHVXZXVMLII-KRWDZBQOSA-N 1 0 347.499 4.062 40 0 EIABRO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)on1 ZINC000019234996 202001820 /nfs/dbraw/zinc/00/18/20/202001820.db2.gz OJSDGMNTAJGXCV-SFHVURJKSA-N 1 0 336.439 4.409 40 0 EIABRO c1cc(-c2cc(Nc3ccccc3)nc([C@@H]3CCC[NH2+]C3)n2)cs1 ZINC000019373269 202007350 /nfs/dbraw/zinc/00/73/50/202007350.db2.gz SVQPTOBIESFBRS-CQSZACIVSA-N 1 0 336.464 4.416 40 0 EIABRO CC(C)c1ncc2c(n1)C1(CC[NH+](CC3CCCCC3)CC1)OCC2 ZINC000019454239 202009023 /nfs/dbraw/zinc/00/90/23/202009023.db2.gz ZIPAVRXARIFRMS-UHFFFAOYSA-N 1 0 343.515 4.044 40 0 EIABRO CCCc1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)cn1 ZINC000019525795 202010417 /nfs/dbraw/zinc/01/04/17/202010417.db2.gz GPFKFJRURVSOHE-MXNKGDRCSA-N 1 0 335.495 4.491 40 0 EIABRO O=C(N[C@@H]1CCCc2ccccc21)c1ccc(C[NH+]2CCCC2)cc1 ZINC000020460786 202044447 /nfs/dbraw/zinc/04/44/47/202044447.db2.gz DZGWJEZDIOITQD-OAQYLSRUSA-N 1 0 334.463 4.090 40 0 EIABRO C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000021905936 202074215 /nfs/dbraw/zinc/07/42/15/202074215.db2.gz UDKSZBGSKKHDCO-SFHVURJKSA-N 1 0 336.479 4.206 40 0 EIABRO COc1cccc([C@@]2(O)CCCC[C@H]2C[N@H+](C)Cc2ccccc2)c1 ZINC000022050982 202077138 /nfs/dbraw/zinc/07/71/38/202077138.db2.gz BDLHYNRDCFWMAA-UNMCSNQZSA-N 1 0 339.479 4.205 40 0 EIABRO CC1CC[NH+](Cc2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000030751116 202198266 /nfs/dbraw/zinc/19/82/66/202198266.db2.gz YHDHFDLYXRHSKT-UHFFFAOYSA-N 1 0 348.490 4.117 40 0 EIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cc(F)cc(F)c2)o1 ZINC000036740262 202331114 /nfs/dbraw/zinc/33/11/14/202331114.db2.gz XQSWBUOABHDBIE-UHFFFAOYSA-N 1 0 345.393 4.155 40 0 EIABRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000038849659 202407558 /nfs/dbraw/zinc/40/75/58/202407558.db2.gz SVLYJLYCQVQRKV-KRWDZBQOSA-N 1 0 342.870 4.499 40 0 EIABRO C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@@H]3CCC[C@@H](C)[N@@H+]3C)[C@@H]12 ZINC000004098786 201055430 /nfs/dbraw/zinc/05/54/30/201055430.db2.gz FMPNFDSPHNUFOS-YKCJDCANSA-N 1 0 345.527 4.419 40 0 in-vitro EIABRO CC[N@@H+]1CCC[C@H]1CN(CCCc1ccccc1)Cc1ccncc1 ZINC000023247760 212363639 /nfs/dbraw/zinc/36/36/39/212363639.db2.gz CXLFHBNQONWFGQ-QFIPXVFZSA-N 1 0 337.511 4.001 40 0 EIABRO CC1(C)CC(=O)c2cc3c([n+](-c4ccccc4)c2C1)CC(C)(C)CC3=O ZINC000005415246 201650900 /nfs/dbraw/zinc/65/09/00/201650900.db2.gz IAKAVRREWHVFJP-UHFFFAOYSA-N 1 0 348.466 4.274 40 0 EIABRO Nc1ncc(-c2ccccc2)c([C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000072376751 203209671 /nfs/dbraw/zinc/20/96/71/203209671.db2.gz IHRLAUPZUQJSGR-HXUWFJFHSA-N 1 0 344.462 4.453 40 0 EIABRO Clc1ccccc1C[N@@H+]1CC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000072369817 203209756 /nfs/dbraw/zinc/20/97/56/203209756.db2.gz OZXOTQMGYZXBPC-MRXNPFEDSA-N 1 0 339.826 4.380 40 0 EIABRO Cc1ccsc1C[N@@H+]1CCC[C@H]1c1cccc(-n2ccnc2C)n1 ZINC000072355473 203204781 /nfs/dbraw/zinc/20/47/81/203204781.db2.gz SESCTURNPVEFMW-KRWDZBQOSA-N 1 0 338.480 4.283 40 0 EIABRO CC(C)c1nccn1-c1nccnc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072359235 203204795 /nfs/dbraw/zinc/20/47/95/203204795.db2.gz VOXYOIKNUCFHLE-SFHVURJKSA-N 1 0 347.466 4.123 40 0 EIABRO Cc1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000072358570 203205344 /nfs/dbraw/zinc/20/53/44/203205344.db2.gz LTTYUSJKJMFKDN-FQEVSTJZSA-N 1 0 344.462 4.227 40 0 EIABRO Fc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072358612 203205396 /nfs/dbraw/zinc/20/53/96/203205396.db2.gz UMFGJIORRXRAQL-INIZCTEOSA-N 1 0 348.425 4.057 40 0 EIABRO C[C@@]1(O)CC[C@@H]2[C@H]3CC=C4N5CCC[NH+]=C5CC[C@]4(C)[C@H]3CC[C@]21C ZINC000104182869 204100395 /nfs/dbraw/zinc/10/03/95/204100395.db2.gz MCRLPGBGURQZIL-ABKWMHQRSA-N 1 0 342.527 4.372 40 0 EIABRO COc1ccc2c(c1)C(C)(C)C(/C=C/c1cccc(OC)c1O)=[N+]2C ZINC000006782577 205824661 /nfs/dbraw/zinc/82/46/61/205824661.db2.gz YMYIIPAGNGABOF-UHFFFAOYSA-O 1 0 338.427 4.129 40 0 EIABRO C[NH+](C)CCCn1c(-c2ccccc2)cs/c1=N/c1ccccc1 ZINC000100499159 206244453 /nfs/dbraw/zinc/24/44/53/206244453.db2.gz SKSYBHXULRJCPY-QZQOTICOSA-N 1 0 337.492 4.401 40 0 EIABRO CCC[C@@H](C)c1ccc(OCCCCCCN2CC[NH2+]CC2)cc1 ZINC000022580497 520675929 /nfs/dbraw/zinc/67/59/29/520675929.db2.gz MVSIIQRGZVDOOK-LJQANCHMSA-N 1 0 332.532 4.435 40 0 EIABRO CCC[NH+](CCC)C[C@H](O)c1ccc2cc3c(nc2c1)CCCC3 ZINC000001655477 563399552 /nfs/dbraw/zinc/39/95/52/563399552.db2.gz ZZCDTEJMYPFQTG-NRFANRHFSA-N 1 0 326.484 4.269 40 0 EIABRO CC[NH+](CC)CCC[C@@H](C)Nc1c(C)cnc2c(OC)cccc21 ZINC000002042663 563419016 /nfs/dbraw/zinc/41/90/16/563419016.db2.gz CNKVVSRAKNUCQY-MRXNPFEDSA-N 1 0 329.488 4.474 40 0 EIABRO CCCCOc1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000004367964 563501453 /nfs/dbraw/zinc/50/14/53/563501453.db2.gz UEZLIJVHRKKPRS-OAHLLOKOSA-N 1 0 342.483 4.247 40 0 EIABRO Cc1cc(N)c2cc(NC(=O)/C=C\c3ccccc3Cl)ccc2[nH+]1 ZINC000004769600 563510698 /nfs/dbraw/zinc/51/06/98/563510698.db2.gz MLKVGBZASWPPOU-TWGQIWQCSA-N 1 0 337.810 4.431 40 0 EIABRO Clc1cccc(Cl)c1C[NH2+]CCCSc1ncccn1 ZINC000004984082 563517363 /nfs/dbraw/zinc/51/73/63/563517363.db2.gz QNERUMMVFZFOBM-UHFFFAOYSA-N 1 0 328.268 4.055 40 0 EIABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc2ccccc2o1 ZINC000007850287 563616640 /nfs/dbraw/zinc/61/66/40/563616640.db2.gz HVPCVLGFJLRCSZ-UHFFFAOYSA-N 1 0 348.446 4.349 40 0 EIABRO COc1cccc(C[NH2+]C2CCCC2)c1OCc1ccc(F)cc1 ZINC000008495359 563631191 /nfs/dbraw/zinc/63/11/91/563631191.db2.gz XLGXEUSMYNDEKF-UHFFFAOYSA-N 1 0 329.415 4.446 40 0 EIABRO C[C@H](O)C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008497921 563631593 /nfs/dbraw/zinc/63/15/93/563631593.db2.gz YUJYJMOZWOFBAR-LBPRGKRZSA-N 1 0 340.250 4.043 40 0 EIABRO C[C@@H](O)C[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008535108 563631865 /nfs/dbraw/zinc/63/18/65/563631865.db2.gz VKAXJGOCJWWCEA-GFCCVEGCSA-N 1 0 340.250 4.043 40 0 EIABRO C=Cc1ccc(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119084 563653922 /nfs/dbraw/zinc/65/39/22/563653922.db2.gz XZUGLSUENHORLW-SFHVURJKSA-N 1 0 334.419 4.075 40 0 EIABRO COc1nc2cc(C)ccc2cc1C[N@H+](C)[C@H](C)Cc1ccccn1 ZINC000012148175 563655122 /nfs/dbraw/zinc/65/51/22/563655122.db2.gz WPQULQIPSZNRHL-MRXNPFEDSA-N 1 0 335.451 4.010 40 0 EIABRO Cc1cc2c(cc1C)OC1(C=C2)CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000012187996 563655446 /nfs/dbraw/zinc/65/54/46/563655446.db2.gz JTEUEPDPZVLPDL-NRFANRHFSA-N 1 0 349.474 4.277 40 0 EIABRO COc1ccc2cnc(C3CC[NH+](Cc4cccnc4)CC3)cc2c1C ZINC000012222769 563656109 /nfs/dbraw/zinc/65/61/09/563656109.db2.gz QAYVEIGQFLECFH-UHFFFAOYSA-N 1 0 347.462 4.326 40 0 EIABRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cc(C)no2)c(OC)c1 ZINC000019120279 563854012 /nfs/dbraw/zinc/85/40/12/563854012.db2.gz VHRBOVHKOMCDHD-QGZVFWFLSA-N 1 0 330.428 4.118 40 0 EIABRO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cc(C)no2)c(OC)c1 ZINC000019120282 563854054 /nfs/dbraw/zinc/85/40/54/563854054.db2.gz VHRBOVHKOMCDHD-KRWDZBQOSA-N 1 0 330.428 4.118 40 0 EIABRO Cc1ccccc1C[NH+]1CCC(c2nnc(-c3cccs3)o2)CC1 ZINC000019237173 563855589 /nfs/dbraw/zinc/85/55/89/563855589.db2.gz GBLGDLXLTPCFKV-UHFFFAOYSA-N 1 0 339.464 4.486 40 0 EIABRO Cc1ccccc1CNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000038773190 563922069 /nfs/dbraw/zinc/92/20/69/563922069.db2.gz DVHGRIILFUBPFC-UHFFFAOYSA-N 1 0 336.479 4.157 40 0 EIABRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000038833352 563922203 /nfs/dbraw/zinc/92/22/03/563922203.db2.gz MWZYVEUBAVFOCE-SFHVURJKSA-N 1 0 340.442 4.293 40 0 EIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000038849308 563922358 /nfs/dbraw/zinc/92/23/58/563922358.db2.gz SAPQAPCOFDKHHH-HNNXBMFYSA-N 1 0 326.415 4.310 40 0 EIABRO O=C(NCc1ccc(F)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044932112 563928402 /nfs/dbraw/zinc/92/84/02/563928402.db2.gz WFKFKELHBMTDDS-UHFFFAOYSA-N 1 0 340.442 4.132 40 0 EIABRO CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000585100005 563971482 /nfs/dbraw/zinc/97/14/82/563971482.db2.gz CGWHBWOYWYHLDB-NRFANRHFSA-N 1 0 328.500 4.177 40 0 EIABRO c1cn2c(cccc2[C@@H]2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)n1 ZINC000585182573 563975052 /nfs/dbraw/zinc/97/50/52/563975052.db2.gz UCWUNHNDSWOZEE-GOSISDBHSA-N 1 0 330.435 4.195 40 0 EIABRO c1csc(C[NH+]2CCC3(C[C@H](OCc4ccccc4)CO3)CC2)c1 ZINC000096047845 563978331 /nfs/dbraw/zinc/97/83/31/563978331.db2.gz ANXCOKLRNVCGLH-SFHVURJKSA-N 1 0 343.492 4.088 40 0 EIABRO CN(C)C(=O)CC1CCC2(CC1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096049273 563978437 /nfs/dbraw/zinc/97/84/37/563978437.db2.gz KYRMAPXQTRTGMK-UHFFFAOYSA-N 1 0 346.490 4.076 40 0 EIABRO Fc1cccc(C[N@@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)c1 ZINC000096073456 563979075 /nfs/dbraw/zinc/97/90/75/563979075.db2.gz ARIKQSHOUPLRAL-CTNGQTDRSA-N 1 0 325.427 4.364 40 0 EIABRO Cc1cccc(-c2ccc3nc(C4CC[NH+](CC5CC5)CC4)nn3c2)c1 ZINC000096155835 563979774 /nfs/dbraw/zinc/97/97/74/563979774.db2.gz HJVVRNLUELOXEN-UHFFFAOYSA-N 1 0 346.478 4.294 40 0 EIABRO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2C)cn1 ZINC000072214543 563984813 /nfs/dbraw/zinc/98/48/13/563984813.db2.gz DGGPQGNLJWAWQK-INIZCTEOSA-N 1 0 333.476 4.246 40 0 EIABRO OCCNC(=[NH+]c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000408822206 564007441 /nfs/dbraw/zinc/00/74/41/564007441.db2.gz IKBMQIWAOZJDBV-UHFFFAOYSA-N 1 0 330.431 4.098 40 0 EIABRO COc1cc(C[NH2+]C2CC2)ccc1OCc1c(F)cccc1Cl ZINC000008471315 564016165 /nfs/dbraw/zinc/01/61/65/564016165.db2.gz DZDZMZJZDOKNDJ-UHFFFAOYSA-N 1 0 335.806 4.319 40 0 EIABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000010542858 564017453 /nfs/dbraw/zinc/01/74/53/564017453.db2.gz SAFCROCOINQTEZ-CALCHBBNSA-N 1 0 330.516 4.082 40 0 EIABRO COc1ccc([C@@H]2CC(N)=[NH+]N2c2ccc(Cl)cc2Cl)cc1 ZINC000222547489 564036919 /nfs/dbraw/zinc/03/69/19/564036919.db2.gz GKOGTZXPAJJIHA-HNNXBMFYSA-N 1 0 336.222 4.226 40 0 EIABRO Cc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1Cl ZINC000225399355 564046423 /nfs/dbraw/zinc/04/64/23/564046423.db2.gz IHMXBEBGVMDYSA-UHFFFAOYSA-N 1 0 339.936 4.201 40 0 EIABRO C[C@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000225592762 564048129 /nfs/dbraw/zinc/04/81/29/564048129.db2.gz NNRZUYFQDYTGLL-INIZCTEOSA-N 1 0 332.488 4.315 40 0 EIABRO COc1cc(C)c(C(=O)NCCC[NH+]2CCCCCC2)cc1C(C)C ZINC000225661477 564049144 /nfs/dbraw/zinc/04/91/44/564049144.db2.gz AMHMVCAPHIIENJ-UHFFFAOYSA-N 1 0 346.515 4.123 40 0 EIABRO Cc1csc(Nc2cc(C)nc([C@@H]3CCC[N@H+](CC4CC4)C3)c2)n1 ZINC000257289446 564054787 /nfs/dbraw/zinc/05/47/87/564054787.db2.gz PYQFRBGQRXZTLM-MRXNPFEDSA-N 1 0 342.512 4.488 40 0 EIABRO CCNc1cc(N2CCc3cc(Cl)ccc3C2)nc(C(C)C)[nH+]1 ZINC000328987064 564071235 /nfs/dbraw/zinc/07/12/35/564071235.db2.gz IAJWDPHBARYGSN-UHFFFAOYSA-N 1 0 330.863 4.248 40 0 EIABRO Fc1ccc(CN2C[C@@H]3C[C@@H](c4cccs4)[N@@H+]4CCC[C@]34C2)cc1 ZINC000247531841 564124477 /nfs/dbraw/zinc/12/44/77/564124477.db2.gz PACOWZUQYBZXCZ-QRFRQXIXSA-N 1 0 342.483 4.299 40 0 EIABRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000009062611 564127638 /nfs/dbraw/zinc/12/76/38/564127638.db2.gz SFHARBOLPGHBDF-UHFFFAOYSA-N 1 0 348.490 4.186 40 0 EIABRO O=C(NC1CCCCCCC1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063548 564127642 /nfs/dbraw/zinc/12/76/42/564127642.db2.gz UHQVXTFXVDYAGR-UHFFFAOYSA-N 1 0 346.490 4.267 40 0 EIABRO CCCCOc1ccc(Cl)cc1-c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000256050389 564134742 /nfs/dbraw/zinc/13/47/42/564134742.db2.gz DVHJDESFFRFYRD-GFCCVEGCSA-N 1 0 335.835 4.036 40 0 EIABRO CCCCN(C(=O)c1cc(C)cc(C)c1)C1=C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000003147394 564155498 /nfs/dbraw/zinc/15/54/98/564155498.db2.gz GNYZYYFKNNJUQR-MOPGFXCFSA-N 1 0 326.484 4.296 40 0 EIABRO COc1ccc(C2([NH2+]Cc3cccc(Oc4ncccn4)c3)CC2)cc1 ZINC000012238683 201834412 /nfs/dbraw/zinc/83/44/12/201834412.db2.gz NHELXKWKOLETCI-UHFFFAOYSA-N 1 0 347.418 4.056 40 0 EIABRO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2ccncc2C)cc1 ZINC000019239553 202001574 /nfs/dbraw/zinc/00/15/74/202001574.db2.gz WHHIBUCIOMXLPE-CZYKHXBRSA-N 1 0 336.479 4.461 40 0 EIABRO Fc1ccc([C@@H]2COC[C@H]2[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000019349566 202005591 /nfs/dbraw/zinc/00/55/91/202005591.db2.gz VFCWPRZBGHHDKZ-DOTOQJQBSA-N 1 0 339.332 4.117 40 0 EIABRO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cccc(OCCOC)c1 ZINC000019501001 202009128 /nfs/dbraw/zinc/00/91/28/202009128.db2.gz MJHDXHCGSGLKMX-SFHVURJKSA-N 1 0 331.481 4.283 40 0 EIABRO Cc1sc2c([C@H]3CCC[NH2+]C3)nc(Nc3cccc(F)c3)n2c1C ZINC000019561745 202012118 /nfs/dbraw/zinc/01/21/18/202012118.db2.gz BBQWXQGGRKDBTF-ZDUSSCGKSA-N 1 0 344.459 4.362 40 0 EIABRO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000019851003 202024291 /nfs/dbraw/zinc/02/42/91/202024291.db2.gz NWDHOEOULGWUOX-KAGYGMCKSA-N 1 0 332.491 4.170 40 0 EIABRO Cc1ccc(CN(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000020460614 202044103 /nfs/dbraw/zinc/04/41/03/202044103.db2.gz SZXKBBMLJRYEIP-UHFFFAOYSA-N 1 0 336.479 4.253 40 0 EIABRO OC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000026522507 202145609 /nfs/dbraw/zinc/14/56/09/202145609.db2.gz QNOJLRIMRWPNKS-HSZRJFAPSA-N 1 0 343.470 4.445 40 0 EIABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000030754130 202197869 /nfs/dbraw/zinc/19/78/69/202197869.db2.gz LQCSHWQWCBKHIX-SFHVURJKSA-N 1 0 336.479 4.472 40 0 EIABRO COc1ccc([C@@H](O)[C@@H]([NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000031961935 202216656 /nfs/dbraw/zinc/21/66/56/202216656.db2.gz ZVOJPKQDEDCIGN-FCHUYYIVSA-N 1 0 333.431 4.260 40 0 EIABRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000035986622 202311826 /nfs/dbraw/zinc/31/18/26/202311826.db2.gz HCVTZZOECXSSPG-PIPMEXSNSA-N 1 0 339.479 4.262 40 0 EIABRO CC1=C[C@@H](C[NH2+]C(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 ZINC000072320818 202364368 /nfs/dbraw/zinc/36/43/68/202364368.db2.gz PSIVVTJCLRXXKB-BZSNNMDCSA-N 1 0 340.515 4.353 40 0 biogenic,in-vitro EIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3c(F)cccc3F)cc2)C1 ZINC000216265669 241176751 /nfs/dbraw/zinc/17/67/51/241176751.db2.gz RLTXJOQHEGWIMG-AWEZNQCLSA-N 1 0 344.405 4.449 40 0 EIABRO CCC[NH+](CCC)C[C@@H](O)c1ccc2cc3c(nc2c1)CCCC3 ZINC000005838711 201664812 /nfs/dbraw/zinc/66/48/12/201664812.db2.gz ZZCDTEJMYPFQTG-OAQYLSRUSA-N 1 0 326.484 4.269 40 0 EIABRO CCCC[NH+](CCCC)C[C@@H](O)c1ccc(Br)cc1 ZINC000005973439 201670076 /nfs/dbraw/zinc/67/00/76/201670076.db2.gz DZPCODSIDDFTAM-MRXNPFEDSA-N 1 0 328.294 4.385 40 0 EIABRO COc1cccc(-c2noc([C@H]3CC[N@H+](CC4CCCCC4)C3)n2)c1 ZINC000072369880 203209130 /nfs/dbraw/zinc/20/91/30/203209130.db2.gz IMNJYMKFSXOLSF-KRWDZBQOSA-N 1 0 341.455 4.115 40 0 EIABRO Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000072378682 203210706 /nfs/dbraw/zinc/21/07/06/203210706.db2.gz IBZOFIFQLKWQNW-NRFANRHFSA-N 1 0 346.478 4.345 40 0 EIABRO Cc1cccnc1Nc1cncc([C@H]2CCC[N@H+](CC(C)(C)C)C2)n1 ZINC000072354333 203204412 /nfs/dbraw/zinc/20/44/12/203204412.db2.gz AZKPTBOXKZUMTL-INIZCTEOSA-N 1 0 339.487 4.149 40 0 EIABRO Fc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072358574 203205149 /nfs/dbraw/zinc/20/51/49/203205149.db2.gz CCPRSXXWEDPAIV-KRWDZBQOSA-N 1 0 348.425 4.057 40 0 EIABRO CCC[N@@H+]1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NC ZINC000072370621 203208592 /nfs/dbraw/zinc/20/85/92/203208592.db2.gz LWCQMVSOJBQFRD-OAHLLOKOSA-N 1 0 344.524 4.458 40 0 EIABRO Cc1cc(Nc2nccs2)cc([C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000257257005 244284165 /nfs/dbraw/zinc/28/41/65/244284165.db2.gz KNRJJRMCNYBQEG-OAHLLOKOSA-N 1 0 330.501 4.426 40 0 EIABRO c1cn2ccc([C@@H]3CCCC[N@H+]3Cc3ccc4ncccc4c3)nc2n1 ZINC000257268225 244366607 /nfs/dbraw/zinc/36/66/07/244366607.db2.gz MKTJJRKGMULBHG-FQEVSTJZSA-N 1 0 343.434 4.005 40 0 EIABRO C[NH+]1CCC(CCNC(=O)/C(=C/c2ccccc2)c2ccccc2)CC1 ZINC000078578773 203422018 /nfs/dbraw/zinc/42/20/18/203422018.db2.gz TYQPHDNJXPXTHG-RELWKKBWSA-N 1 0 348.490 4.075 40 0 EIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000039753683 257854693 /nfs/dbraw/zinc/85/46/93/257854693.db2.gz BNABYFFAUITQSX-UHFFFAOYSA-N 1 0 342.870 4.499 40 0 EIABRO CC[NH+](CC)CCOC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001590172 563395072 /nfs/dbraw/zinc/39/50/72/563395072.db2.gz UGCJISLPJOSPBH-UHFFFAOYSA-N 1 0 338.757 4.249 40 0 EIABRO CC(=O)O[C@H](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(Cl)cc1 ZINC000001615832 563396729 /nfs/dbraw/zinc/39/67/29/563396729.db2.gz CDGAJXKXQQRYAY-TXPKVOOTSA-N 1 0 335.875 4.456 40 0 EIABRO CC[C@@H](C)C[NH2+]CCCCCNc1cc(OC)cc2cccnc21 ZINC000001687532 563403880 /nfs/dbraw/zinc/40/38/80/563403880.db2.gz NIVAWDJSAYOWEW-MRXNPFEDSA-N 1 0 329.488 4.461 40 0 EIABRO CC(C)[NH2+][C@@H]1C2CCC(CC2)[C@]1(O)c1ccc(Cl)c(Cl)c1 ZINC000001693022 563404180 /nfs/dbraw/zinc/40/41/80/563404180.db2.gz MQILJMOEUMZBHK-UADMCSNRSA-N 1 0 328.283 4.368 40 0 in-man EIABRO CCC(CC)[NH2+]CCOC(=O)C(c1ccccc1)c1ccccc1 ZINC000001710569 563406162 /nfs/dbraw/zinc/40/61/62/563406162.db2.gz ZJFIASGJJZIKLQ-UHFFFAOYSA-N 1 0 325.452 4.140 40 0 EIABRO CCCOc1cc(C)c(C(=O)OCC[C@@H](C)[NH+]2CCCC2)c(C)c1 ZINC000001712421 563406198 /nfs/dbraw/zinc/40/61/98/563406198.db2.gz GWKHMNYCAUJWBJ-QGZVFWFLSA-N 1 0 333.472 4.123 40 0 EIABRO Cc1ccc(C[NH+](C)C)c(C(O)(c2ccccc2)c2ccccc2)c1 ZINC000004975101 563516687 /nfs/dbraw/zinc/51/66/87/563516687.db2.gz AXVSLCPFYCYOCB-UHFFFAOYSA-N 1 0 331.459 4.341 40 0 EIABRO O[C@](CC[NH+]1CCCC1)(Cc1ccccc1)c1cccc(Cl)c1 ZINC000006580877 563573676 /nfs/dbraw/zinc/57/36/76/563573676.db2.gz YHSIXPJKZVWQQS-HXUWFJFHSA-N 1 0 329.871 4.256 40 0 EIABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)cc1F ZINC000008013023 563619319 /nfs/dbraw/zinc/61/93/19/563619319.db2.gz ATUBOKZFGVMCDI-UHFFFAOYSA-N 1 0 346.833 4.005 40 0 EIABRO CCOCCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000008253197 563624335 /nfs/dbraw/zinc/62/43/35/563624335.db2.gz CJFPYAOMFWKLPS-UHFFFAOYSA-N 1 0 333.859 4.435 40 0 EIABRO CCOc1cc(C[NH2+][C@H](C)CC)cc(Br)c1OCC ZINC000008325880 563626489 /nfs/dbraw/zinc/62/64/89/563626489.db2.gz SMLJGOJRBRHGKL-LLVKDONJSA-N 1 0 330.266 4.135 40 0 EIABRO Fc1cc(C[NH+]2CCC(c3[nH]nc4ncccc43)CC2)ccc1Cl ZINC000012670189 563667541 /nfs/dbraw/zinc/66/75/41/563667541.db2.gz YOHMIQUBAVHQMZ-UHFFFAOYSA-N 1 0 344.821 4.130 40 0 EIABRO Clc1ccccc1COc1ccc(C[NH2+]C[C@H]2CCCO2)cc1 ZINC000016449871 563812060 /nfs/dbraw/zinc/81/20/60/563812060.db2.gz JOZYBTUUABYQNK-GOSISDBHSA-N 1 0 331.843 4.188 40 0 EIABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000019133461 563854488 /nfs/dbraw/zinc/85/44/88/563854488.db2.gz YSSZVJUCJGOGQR-KRWDZBQOSA-N 1 0 335.451 4.260 40 0 EIABRO Cc1ccc(-c2cc([C@H]3CC[N@@H+](C4CCSCC4)C3)[nH]n2)cc1 ZINC000019212108 563854675 /nfs/dbraw/zinc/85/46/75/563854675.db2.gz MDXDDDHFOVMTBG-INIZCTEOSA-N 1 0 327.497 4.070 40 0 EIABRO Fc1ccccc1C1([NH2+]Cc2[nH]nnc2-c2ccccc2)CCCC1 ZINC000019373952 563855856 /nfs/dbraw/zinc/85/58/56/563855856.db2.gz BMGQWKGDYCOSDP-UHFFFAOYSA-N 1 0 336.414 4.170 40 0 EIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CCCCCC3)cc2)C1 ZINC000038852351 563922363 /nfs/dbraw/zinc/92/23/63/563922363.db2.gz IFYCVTVAYDZXEI-QGZVFWFLSA-N 1 0 328.500 4.371 40 0 EIABRO Cc1cc(Cl)ccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038849487 563922387 /nfs/dbraw/zinc/92/23/87/563922387.db2.gz YEOMUODSNUMABT-KRWDZBQOSA-N 1 0 342.870 4.499 40 0 EIABRO Cc1ccc2nc(C(F)(F)F)cc(N3CCCC[NH2+]CCC3)c2c1 ZINC000064220291 563956691 /nfs/dbraw/zinc/95/66/91/563956691.db2.gz PJLNOQRWERCTFM-UHFFFAOYSA-N 1 0 337.389 4.142 40 0 EIABRO C[C@H](c1ccccc1)[N@@H+]1CCC[C@@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099673 563971429 /nfs/dbraw/zinc/97/14/29/563971429.db2.gz WBBARXKFNPVNHN-GCJKJVERSA-N 1 0 340.511 4.252 40 0 EIABRO c1csc(C[NH+]2CCC3(CCN(Cc4nccs4)CC3)CC2)c1 ZINC000096047187 563978160 /nfs/dbraw/zinc/97/81/60/563978160.db2.gz MWIFRLOTDRZZGE-UHFFFAOYSA-N 1 0 347.553 4.083 40 0 EIABRO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072214570 563984840 /nfs/dbraw/zinc/98/48/40/563984840.db2.gz ZSOGPCVLWALPEA-INIZCTEOSA-N 1 0 333.476 4.294 40 0 EIABRO C[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215337 563985199 /nfs/dbraw/zinc/98/51/99/563985199.db2.gz KIYWEFBRPYUKRE-MRXNPFEDSA-N 1 0 331.460 4.142 40 0 EIABRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063394 564016602 /nfs/dbraw/zinc/01/66/02/564016602.db2.gz VNUWQBIMRQQRGB-UHFFFAOYSA-N 1 0 346.833 4.330 40 0 EIABRO CCOc1cccc(NC(=S)NCCC[N@@H+]2CCCC[C@@H]2CC)c1 ZINC000225582702 564048053 /nfs/dbraw/zinc/04/80/53/564048053.db2.gz IIVLPYSAUFAIGJ-KRWDZBQOSA-N 1 0 349.544 4.026 40 0 EIABRO CCC(=O)N1CCC[C@H](c2cc(Nc3ccc(F)cc3)cc(C)[nH+]2)C1 ZINC000257322163 564055465 /nfs/dbraw/zinc/05/54/65/564055465.db2.gz WEVBRBBICASEQX-HNNXBMFYSA-N 1 0 341.430 4.389 40 0 EIABRO C[C@@H](CCc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010358117 564127749 /nfs/dbraw/zinc/12/77/49/564127749.db2.gz GNNGLRVVJJBNGI-SFHVURJKSA-N 1 0 336.479 4.034 40 0 EIABRO CC[N@H+](C)[C@H]1CN(C(=O)CCc2ccc(F)cc2)C2(C1)CCCCC2 ZINC000019704827 564128057 /nfs/dbraw/zinc/12/80/57/564128057.db2.gz ZUSTVTGXLJENDY-LJQANCHMSA-N 1 0 346.490 4.014 40 0 EIABRO Cc1cc(Nc2cc[nH+]cc2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000002358758 564133570 /nfs/dbraw/zinc/13/35/70/564133570.db2.gz BIFXCCIJGJVEMZ-UHFFFAOYSA-N 1 0 335.798 4.497 40 0 EIABRO Cc1n(Cc2ccccc2)cc[n+]1Cc1ccc(Cl)cc1Cl ZINC000017022436 201983406 /nfs/dbraw/zinc/98/34/06/201983406.db2.gz KCIJLECVMSCRMX-UHFFFAOYSA-N 1 0 332.254 4.487 40 0 EIABRO Cc1noc(-c2cn[nH]c2[C@@H]2CCC[N@@H+]2Cc2ccccc2C)c1C ZINC000019237194 202000866 /nfs/dbraw/zinc/00/08/66/202000866.db2.gz KVMULXMXHOEGQQ-SFHVURJKSA-N 1 0 336.439 4.327 40 0 EIABRO Cc1ccccc1C[N@@H+]1CC[C@@H](c2nc(-c3cccs3)no2)C1 ZINC000019237165 202001639 /nfs/dbraw/zinc/00/16/39/202001639.db2.gz WOGMYKLKAAQWJT-OAHLLOKOSA-N 1 0 325.437 4.096 40 0 EIABRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1F ZINC000019292730 202002396 /nfs/dbraw/zinc/00/23/96/202002396.db2.gz HTAVIZFGEJCARW-CQSZACIVSA-N 1 0 327.378 4.221 40 0 EIABRO Fc1ccccc1C[NH+]1CCC(c2nnc(-c3cccs3)o2)CC1 ZINC000019348923 202005848 /nfs/dbraw/zinc/00/58/48/202005848.db2.gz KWAGTIIBRALLBC-UHFFFAOYSA-N 1 0 343.427 4.317 40 0 EIABRO Clc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccs4)no3)C2)cc1 ZINC000019344679 202006411 /nfs/dbraw/zinc/00/64/11/202006411.db2.gz BYSSWFVSPHEAGX-ZDUSSCGKSA-N 1 0 345.855 4.441 40 0 EIABRO CCCc1ncc(C[NH2+][C@@H]2[C@@H](c3ccccc3)[C@H]3CCCC[C@@H]32)cn1 ZINC000019525796 202009812 /nfs/dbraw/zinc/00/98/12/202009812.db2.gz GPFKFJRURVSOHE-LGGPRVQUSA-N 1 0 335.495 4.491 40 0 EIABRO CCCc1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)cn1 ZINC000019525797 202010057 /nfs/dbraw/zinc/01/00/57/202010057.db2.gz GPFKFJRURVSOHE-WKDRNLAYSA-N 1 0 335.495 4.491 40 0 EIABRO O=C(N[C@H]1CCCc2ccccc21)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000020045465 202030505 /nfs/dbraw/zinc/03/05/05/202030505.db2.gz KLHIBZYBGHEVHT-QFIPXVFZSA-N 1 0 348.490 4.480 40 0 EIABRO CCC(=O)N(c1ccccc1)C1CC[NH+](Cc2cccs2)CC1 ZINC000022066941 202078957 /nfs/dbraw/zinc/07/89/57/202078957.db2.gz JSOSWRYHPGIWGT-UHFFFAOYSA-N 1 0 328.481 4.156 40 0 in-vitro EIABRO CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC000026897753 202148592 /nfs/dbraw/zinc/14/85/92/202148592.db2.gz DPSRCYMFYKYHJN-FQEVSTJZSA-N 1 0 330.472 4.052 40 0 EIABRO CCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000039772331 202162621 /nfs/dbraw/zinc/16/26/21/202162621.db2.gz DRKQHFAJFONTHV-UHFFFAOYSA-N 1 0 336.479 4.408 40 0 EIABRO CN(C(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)C1CCCC1 ZINC000030861042 202200473 /nfs/dbraw/zinc/20/04/73/202200473.db2.gz GTSNYGWEHMZGFX-UHFFFAOYSA-N 1 0 348.490 4.260 40 0 EIABRO Cc1ccc(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c(C(C)(C)C)c1 ZINC000035022938 213005669 /nfs/dbraw/zinc/00/56/69/213005669.db2.gz JLKSJXCQCJQNRN-BZSNNMDCSA-N 1 0 333.516 4.295 40 0 EIABRO Fc1cccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCC[NH2+]2)c1 ZINC000072202943 216069130 /nfs/dbraw/zinc/06/91/30/216069130.db2.gz SCODIQXEPJBJLM-FQEVSTJZSA-N 1 0 330.422 4.109 40 0 EIABRO Fc1ccc(CN(Cc2ccc(F)cc2)C[C@H]2CCCC[NH2+]2)cc1 ZINC000072202940 216069481 /nfs/dbraw/zinc/06/94/81/216069481.db2.gz FKPVCFKQZVADLM-HXUWFJFHSA-N 1 0 330.422 4.109 40 0 EIABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000035818589 202310926 /nfs/dbraw/zinc/31/09/26/202310926.db2.gz WSKFYRUSPKZSRW-UHFFFAOYSA-N 1 0 326.415 4.310 40 0 EIABRO C[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000035986624 202312250 /nfs/dbraw/zinc/31/22/50/202312250.db2.gz HCVTZZOECXSSPG-RBDMOPTHSA-N 1 0 339.479 4.262 40 0 EIABRO OCCOc1ccccc1[C@@H](Cc1ccccc1)[NH2+]C1CCCCC1 ZINC000001665321 201516266 /nfs/dbraw/zinc/51/62/66/201516266.db2.gz CRJVEGGYQAPDIC-OAQYLSRUSA-N 1 0 339.479 4.264 40 0 EIABRO Cc1ccc(Nc2nccc([C@@H]3CCC[N@@H+](C4CCCC4)C3)n2)nc1 ZINC000072377352 203209002 /nfs/dbraw/zinc/20/90/02/203209002.db2.gz OLPDDUAPMJNFPX-MRXNPFEDSA-N 1 0 337.471 4.046 40 0 EIABRO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072379063 203211311 /nfs/dbraw/zinc/21/13/11/203211311.db2.gz KXTRASNIXGTSOQ-IBGZPJMESA-N 1 0 347.466 4.123 40 0 EIABRO Cc1cnc2[nH]c(C3CC3)c(C[N@H+](C)CC[C@H](O)c3ccccc3)c2c1 ZINC000072395250 203212915 /nfs/dbraw/zinc/21/29/15/203212915.db2.gz WTDCBGOJLFAUBQ-FQEVSTJZSA-N 1 0 349.478 4.304 40 0 EIABRO Cc1cnc2[nH]c(C3CC3)c(C[N@H+](C)CC[C@@H](O)c3ccccc3)c2c1 ZINC000072395251 203213596 /nfs/dbraw/zinc/21/35/96/203213596.db2.gz WTDCBGOJLFAUBQ-HXUWFJFHSA-N 1 0 349.478 4.304 40 0 EIABRO C[C@@]1(O)CC[C@@H]2[C@H]3CC=C4N5CCC[NH+]=C5CC[C@@]4(C)[C@H]3CC[C@]21C ZINC000104182866 204100030 /nfs/dbraw/zinc/10/00/30/204100030.db2.gz MCRLPGBGURQZIL-AQUCMXFHSA-N 1 0 342.527 4.372 40 0 EIABRO Cc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)nc2c1 ZINC000049168990 204369045 /nfs/dbraw/zinc/36/90/45/204369045.db2.gz AEOZJUJWEQYZMT-AWEZNQCLSA-N 1 0 327.378 4.139 40 0 biogenic,in-vitro EIABRO Cc1ccc(-c2nnc([C@H]3CC[N@H+](CCCc4ccccc4)C3)o2)cc1 ZINC000049169923 204370380 /nfs/dbraw/zinc/37/03/80/204370380.db2.gz HBIQNLCGHQQXBY-FQEVSTJZSA-N 1 0 347.462 4.467 40 0 biogenic,in-vitro EIABRO CC(C)c1ccc2oc(-c3cc(Br)c[n+](C)c3)nc2c1 ZINC000226774843 205153688 /nfs/dbraw/zinc/15/36/88/205153688.db2.gz VLFHFKYKUZUKNB-UHFFFAOYSA-N 1 0 332.221 4.205 40 0 EIABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1C ZINC000009063460 257862115 /nfs/dbraw/zinc/86/21/15/257862115.db2.gz RDQYQSVODWKRNM-UHFFFAOYSA-N 1 0 340.442 4.293 40 0 EIABRO O=C(Nc1sc2c(c1C[NH+]1CCCC1)CCCC2)c1ccccc1 ZINC000001465614 563390585 /nfs/dbraw/zinc/39/05/85/563390585.db2.gz WICIDTOLGDNDLH-UHFFFAOYSA-N 1 0 340.492 4.475 40 0 EIABRO CC[NH+](CC)CC(=O)Nc1ccc(Cl)cc1Cc1ccccc1 ZINC000001565068 563392540 /nfs/dbraw/zinc/39/25/40/563392540.db2.gz SCLSATWHFHMVTM-UHFFFAOYSA-N 1 0 330.859 4.211 40 0 EIABRO CC[NH+](CC)CCOC(=O)C(Cl)(c1ccccc1)c1ccccc1 ZINC000001734033 563408261 /nfs/dbraw/zinc/40/82/61/563408261.db2.gz ZASSLOPXOOJHFR-UHFFFAOYSA-N 1 0 345.870 4.054 40 0 EIABRO CCCCOc1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000004367976 563501472 /nfs/dbraw/zinc/50/14/72/563501472.db2.gz NRCFHJWSSITGIB-HNNXBMFYSA-N 1 0 342.483 4.390 40 0 EIABRO O=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1 ZINC000004882588 563514615 /nfs/dbraw/zinc/51/46/15/563514615.db2.gz RFUVNHLSTXCMKN-LQDVMPOASA-N 1 0 333.863 4.009 40 0 EIABRO O[C@H]1c2c(ccc3ccccc32)CC[C@H]1[C@H]1[NH2+]CCc2ccccc21 ZINC000004913972 563515488 /nfs/dbraw/zinc/51/54/88/563515488.db2.gz NXHJGRJQTMOMRC-ACIOBRDBSA-N 1 0 329.443 4.323 40 0 EIABRO CCCC[NH2+][C@@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 ZINC000005615016 563542934 /nfs/dbraw/zinc/54/29/34/563542934.db2.gz VAKGUDWFEDDYTI-IBGZPJMESA-N 1 0 349.430 4.497 40 0 EIABRO CC(C)CC[C@@H](C(N)=O)[C@H]1[NH2+]C2(CCCCC2)Cc2ccccc21 ZINC000005832624 563551808 /nfs/dbraw/zinc/55/18/08/563551808.db2.gz IEYQENFPCJVEIG-MOPGFXCFSA-N 1 0 328.500 4.114 40 0 EIABRO C[C@@H](C[NH+]1CCC(Cc2ccccc2)CC1)[C@H](O)c1ccc(O)cc1 ZINC000006175401 563560422 /nfs/dbraw/zinc/56/04/22/563560422.db2.gz WVZSEUPGUDIELE-JTSKRJEESA-N 1 0 339.479 4.016 40 0 EIABRO COc1ccc(C[N@@H+]2Cc3cc(OC)c(OC)cc3CC2(C)C)cc1 ZINC000006754923 563585258 /nfs/dbraw/zinc/58/52/58/563585258.db2.gz RORFLMBGUVYSPO-UHFFFAOYSA-N 1 0 341.451 4.049 40 0 EIABRO C[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008377351 563628270 /nfs/dbraw/zinc/62/82/70/563628270.db2.gz VXCXCHWUQYTEBO-UHFFFAOYSA-N 1 0 340.648 4.401 40 0 EIABRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000012284621 563657201 /nfs/dbraw/zinc/65/72/01/563657201.db2.gz ARDWJMAHNFRPJJ-INIZCTEOSA-N 1 0 328.843 4.191 40 0 EIABRO Clc1ccccc1COc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000016449869 563811968 /nfs/dbraw/zinc/81/19/68/563811968.db2.gz JOZYBTUUABYQNK-SFHVURJKSA-N 1 0 331.843 4.188 40 0 EIABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc(Cl)cc1 ZINC000018176830 563850387 /nfs/dbraw/zinc/85/03/87/563850387.db2.gz RCHRDOWJQDCORC-UHFFFAOYSA-N 1 0 343.858 4.258 40 0 EIABRO S=C(NCc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccccc1 ZINC000018943647 563853326 /nfs/dbraw/zinc/85/33/26/563853326.db2.gz SHWHDFSPZMMAGG-UHFFFAOYSA-N 1 0 339.508 4.159 40 0 EIABRO Cc1cc(-c2snnc2[C@H]2CCC[N@H+](CC3CCCCC3)C2)on1 ZINC000019120731 563854007 /nfs/dbraw/zinc/85/40/07/563854007.db2.gz AWSPLLFRFPXNRZ-HNNXBMFYSA-N 1 0 346.500 4.261 40 0 EIABRO CCc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039750899 563900691 /nfs/dbraw/zinc/90/06/91/563900691.db2.gz PMCMHLKGBOIDIZ-UHFFFAOYSA-N 1 0 340.442 4.239 40 0 EIABRO CCc1ccccc1NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000039752776 563900710 /nfs/dbraw/zinc/90/07/10/563900710.db2.gz MQAMMVXWYZUFHY-UHFFFAOYSA-N 1 0 336.479 4.408 40 0 EIABRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000038833224 563922161 /nfs/dbraw/zinc/92/21/61/563922161.db2.gz WXSHICATMWZEPL-KRWDZBQOSA-N 1 0 342.870 4.499 40 0 EIABRO O=C(Nc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038833829 563922197 /nfs/dbraw/zinc/92/21/97/563922197.db2.gz BZAWMIGEMMJFQE-OAHLLOKOSA-N 1 0 346.833 4.330 40 0 EIABRO Fc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccccc2F)cc1 ZINC000043277665 563925473 /nfs/dbraw/zinc/92/54/73/563925473.db2.gz HAROJFDQANRUMW-UHFFFAOYSA-N 1 0 341.405 4.254 40 0 EIABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1F ZINC000046375349 563929576 /nfs/dbraw/zinc/92/95/76/563929576.db2.gz WVLBUHWTSMFLPS-UHFFFAOYSA-N 1 0 346.833 4.005 40 0 EIABRO CC[C@H](C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000085471083 563930735 /nfs/dbraw/zinc/93/07/35/563930735.db2.gz CIFIUKWHRADVGO-BDTNDASRSA-N 1 0 348.490 4.056 40 0 EIABRO Cc1ccc(CN2CCC[C@]3(CC[N@H+](Cc4ccsc4)C3)C2)o1 ZINC000096046935 563978050 /nfs/dbraw/zinc/97/80/50/563978050.db2.gz PZQPKGSIKJNPQD-IBGZPJMESA-N 1 0 330.497 4.138 40 0 EIABRO Fc1ccc(C[N@@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)cc1 ZINC000096061590 563978939 /nfs/dbraw/zinc/97/89/39/563978939.db2.gz INXLQNBGBSRBNY-FCHUYYIVSA-N 1 0 339.454 4.438 40 0 EIABRO Fc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)c1 ZINC000096073455 563979050 /nfs/dbraw/zinc/97/90/50/563979050.db2.gz ARIKQSHOUPLRAL-PZJWPPBQSA-N 1 0 325.427 4.364 40 0 EIABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2CC)cn1 ZINC000072214670 563984829 /nfs/dbraw/zinc/98/48/29/563984829.db2.gz ZZRUGDURCJIHPO-MRXNPFEDSA-N 1 0 333.476 4.390 40 0 EIABRO CC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214849 563984958 /nfs/dbraw/zinc/98/49/58/563984958.db2.gz MNBIYXQAFKTPJI-MRXNPFEDSA-N 1 0 333.476 4.388 40 0 EIABRO COc1cc2cc(C)c(SCC[NH+]3CCCCC3)nc2cc1OC ZINC000004858650 564005430 /nfs/dbraw/zinc/00/54/30/564005430.db2.gz JXENVJZYBKFRGP-UHFFFAOYSA-N 1 0 346.496 4.138 40 0 EIABRO Cc1cc(C)cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3CC(C)C)c1 ZINC000004886489 564005498 /nfs/dbraw/zinc/00/54/98/564005498.db2.gz LUIMAEXUVBRBSM-IHWFROFDSA-N 1 0 343.515 4.466 40 0 EIABRO COCC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000008469027 564016373 /nfs/dbraw/zinc/01/63/73/564016373.db2.gz DVDTVTUNDSQCJA-UHFFFAOYSA-N 1 0 339.410 4.294 40 0 EIABRO CCCC[C@@H](CC)CNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000224552594 564043095 /nfs/dbraw/zinc/04/30/95/564043095.db2.gz UKDKQOPFYNEZMU-QGZVFWFLSA-N 1 0 348.506 4.370 40 0 EIABRO Cc1ccccc1C[N@@H+]1CC[C@@H](c2nc(-c3ccccc3C)no2)C1 ZINC000257344634 564055810 /nfs/dbraw/zinc/05/58/10/564055810.db2.gz ZYCHEDMQEMHNJA-GOSISDBHSA-N 1 0 333.435 4.343 40 0 EIABRO CC(C)Cn1c(C(C)C)nc2c1C1(CC[NH2+]CC1)Oc1ccccc1-2 ZINC000306144484 564062368 /nfs/dbraw/zinc/06/23/68/564062368.db2.gz ZGLCHKBRMCEJQT-UHFFFAOYSA-N 1 0 339.483 4.301 40 0 EIABRO c1csc(-c2ccc3nc([C@H]4CCC[N@@H+](CC5CC5)C4)nn3c2)c1 ZINC000306142911 564062376 /nfs/dbraw/zinc/06/23/76/564062376.db2.gz XOBHPHIINAUCTR-INIZCTEOSA-N 1 0 338.480 4.047 40 0 EIABRO Cc1nc(N2Cc3ccccc3C(C)(C)C2)cc(NC2CCCC2)[nH+]1 ZINC000329063356 564072053 /nfs/dbraw/zinc/07/20/53/564072053.db2.gz XDDPPEFEVNKQPN-UHFFFAOYSA-N 1 0 336.483 4.437 40 0 EIABRO C[N@H+](C[C@@H](O)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 ZINC000028295571 564079202 /nfs/dbraw/zinc/07/92/02/564079202.db2.gz RSPXLQCWKIXQLM-XFIJJGBISA-N 1 0 337.548 4.233 40 0 EIABRO C[N@@H+]1CC[C@@H](C(=O)c2ccccn2)[C@@H](CCc2cccc(Cl)c2)C1 ZINC000584577184 564086125 /nfs/dbraw/zinc/08/61/25/564086125.db2.gz BAPXIHGKPWBXOG-FUHWJXTLSA-N 1 0 342.870 4.118 40 0 EIABRO Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(C)c1 ZINC000019132417 564127948 /nfs/dbraw/zinc/12/79/48/564127948.db2.gz IFBKTSMUHHSBHQ-UTKZUKDTSA-N 1 0 349.478 4.093 40 0 EIABRO c1nc(Nc2cc(C[C@H]3CC[NH2+]C3)ccn2)sc1-c1ccccc1 ZINC000143325966 564174172 /nfs/dbraw/zinc/17/41/72/564174172.db2.gz XBONBWPSZFGBJS-OAHLLOKOSA-N 1 0 336.464 4.101 40 0 EIABRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC/C=C/c1ccccc1 ZINC000079439955 568420556 /nfs/dbraw/zinc/42/05/56/568420556.db2.gz UPYWPYCSSYXYAJ-FWVUHSSSSA-N 1 0 330.472 4.031 40 0 EIABRO Cc1ccc(C)c([C@H](O)C[NH+]2CCC(Oc3ccccc3F)CC2)c1 ZINC000019132009 201999436 /nfs/dbraw/zinc/99/94/36/201999436.db2.gz VVGFVOYDWHHXLU-HXUWFJFHSA-N 1 0 343.442 4.019 40 0 EIABRO Cc1ccsc1-c1nnc(C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000019238729 202000660 /nfs/dbraw/zinc/00/06/60/202000660.db2.gz TWRPZVQVRTUKIB-UHFFFAOYSA-N 1 0 339.464 4.486 40 0 EIABRO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2ccccc2C)on1 ZINC000019237205 202000904 /nfs/dbraw/zinc/00/09/04/202000904.db2.gz TXCVIJJNRDYMTD-SFHVURJKSA-N 1 0 336.439 4.409 40 0 EIABRO Cn1nc([C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c2cccnc21 ZINC000019289497 202002335 /nfs/dbraw/zinc/00/23/35/202002335.db2.gz JLZUWBNJRWTKLQ-OAHLLOKOSA-N 1 0 340.858 4.001 40 0 EIABRO c1csc(-c2nnc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC000019371986 202005210 /nfs/dbraw/zinc/00/52/10/202005210.db2.gz CDXYRMUILHXPIA-OAHLLOKOSA-N 1 0 325.437 4.178 40 0 EIABRO c1csc(-c2nnc(C3CC[NH+](Cc4ccsc4)CC3)o2)c1 ZINC000019344876 202006050 /nfs/dbraw/zinc/00/60/50/202006050.db2.gz NJCIZJGJYQJHDM-UHFFFAOYSA-N 1 0 331.466 4.239 40 0 EIABRO COc1cccc2cc(CN3CCC([N@@H+]4CCC[C@@H](C)C4)CC3)oc21 ZINC000019496482 202008639 /nfs/dbraw/zinc/00/86/39/202008639.db2.gz CNXAZZWCLQSJSK-MRXNPFEDSA-N 1 0 342.483 4.138 40 0 EIABRO Cc1c2ccccc2[nH]c1C[NH+]1CCC(COc2ccccn2)CC1 ZINC000019565895 202012225 /nfs/dbraw/zinc/01/22/25/202012225.db2.gz WRZNGWUCMWGATI-UHFFFAOYSA-N 1 0 335.451 4.162 40 0 EIABRO Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220937 202166832 /nfs/dbraw/zinc/16/68/32/202166832.db2.gz DBORCEXPXAUADP-QGZVFWFLSA-N 1 0 342.870 4.499 40 0 EIABRO COCc1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000029146765 202181571 /nfs/dbraw/zinc/18/15/71/202181571.db2.gz ZTZHYOVBKUPVDT-UHFFFAOYSA-N 1 0 338.451 4.071 40 0 EIABRO F[C@@]1(C2CC[NH2+]CC2)c2ccc(Cl)cc2CCc2cccnc21 ZINC000033968658 202271786 /nfs/dbraw/zinc/27/17/86/202271786.db2.gz UTRNCHWURQHTSN-IBGZPJMESA-N 1 0 330.834 4.046 40 0 in-vitro EIABRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000035986618 202312147 /nfs/dbraw/zinc/31/21/47/202312147.db2.gz HCVTZZOECXSSPG-AGHHOFFYSA-N 1 0 339.479 4.262 40 0 EIABRO c1cnc2[nH]c([C@H]3CCCO3)c(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)c2c1 ZINC000036741432 202330583 /nfs/dbraw/zinc/33/05/83/202330583.db2.gz CGLBQXCRGUSAEM-GPMSIDNRSA-N 1 0 339.483 4.427 40 0 EIABRO CCOc1cc(C[NH2+]CCOC)ccc1OCc1ccc(Cl)cc1 ZINC000008254530 201362946 /nfs/dbraw/zinc/36/29/46/201362946.db2.gz IJWCZZNTUJZKHU-UHFFFAOYSA-N 1 0 349.858 4.054 40 0 EIABRO CC(C)c1ccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000225726616 242005820 /nfs/dbraw/zinc/00/58/20/242005820.db2.gz WIPAEMLHDNSGBY-IRXDYDNUSA-N 1 0 347.572 4.464 40 0 EIABRO CC(=O)N(c1ccccc1)C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000001850113 201520293 /nfs/dbraw/zinc/52/02/93/201520293.db2.gz OKTLVZBUKMRPLL-GOSISDBHSA-N 1 0 336.479 4.135 40 0 in-man EIABRO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCC[NH2+]3)n2)c1 ZINC000257205982 244132416 /nfs/dbraw/zinc/13/24/16/244132416.db2.gz BBJHOFFARUNJHZ-QGZVFWFLSA-N 1 0 349.413 4.236 40 0 EIABRO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@@H+](CC(C)C)C3)n2)n1 ZINC000072375915 203209379 /nfs/dbraw/zinc/20/93/79/203209379.db2.gz RBISKDUPWGSTSI-QGZVFWFLSA-N 1 0 339.487 4.067 40 0 EIABRO CCc1nccn1-c1cccc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000072379090 203210982 /nfs/dbraw/zinc/21/09/82/203210982.db2.gz MHKUUTSFXGSQHI-IBGZPJMESA-N 1 0 346.478 4.209 40 0 EIABRO Fc1ccc([C@H]2C[C@H]3C[N@H+](Cc4cccs4)C[C@]34CCCN24)cc1 ZINC000072342196 203202877 /nfs/dbraw/zinc/20/28/77/203202877.db2.gz KYELLYOWCJKDFN-PWIZWCRZSA-N 1 0 342.483 4.299 40 0 EIABRO Fc1ccc(CN2C[C@H]3C[C@H](c4cccs4)[N@@H+]4CCC[C@@]34C2)cc1 ZINC000072342200 203203669 /nfs/dbraw/zinc/20/36/69/203203669.db2.gz PACOWZUQYBZXCZ-YVWKXTFCSA-N 1 0 342.483 4.299 40 0 EIABRO Cc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000072358607 203204518 /nfs/dbraw/zinc/20/45/18/203204518.db2.gz MRRDXKDFGKASBF-LJQANCHMSA-N 1 0 344.462 4.227 40 0 EIABRO Cc1cc(Oc2cccc(C(F)(F)F)c2)nc(C2CC[NH2+]CC2)n1 ZINC000072361066 203206538 /nfs/dbraw/zinc/20/65/38/203206538.db2.gz FFHSNZPOBDTDPG-UHFFFAOYSA-N 1 0 337.345 4.063 40 0 EIABRO C[N@H+](CCc1ccncc1)Cc1c2cccnc2[nH]c1C1CCCC1 ZINC000072393718 203213320 /nfs/dbraw/zinc/21/33/20/203213320.db2.gz BYTLMKAWYYMUAL-UHFFFAOYSA-N 1 0 334.467 4.290 40 0 EIABRO COc1ccc(C)cc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](c2cc[nH]n2)C1 ZINC000072395791 203213369 /nfs/dbraw/zinc/21/33/69/203213369.db2.gz VOXUOXBFGHMYCX-VQTJNVASSA-N 1 0 347.462 4.110 40 0 EIABRO Fc1ccc(C[NH+]2CCC3(C[C@@H](Oc4ccccc4)CO3)CC2)cc1 ZINC000096221815 203874010 /nfs/dbraw/zinc/87/40/10/203874010.db2.gz NGPURGYCPNXKFF-HXUWFJFHSA-N 1 0 341.426 4.028 40 0 EIABRO COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4c[nH]c5ccccc45)C3)nc2c1 ZINC000049169096 204369812 /nfs/dbraw/zinc/36/98/12/204369812.db2.gz HXSMLQLGFTUNJW-AWEZNQCLSA-N 1 0 346.434 4.042 40 0 biogenic,in-vitro EIABRO Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)C[NH2+]Cc1ccccc1 ZINC000057541656 132200696 /nfs/dbraw/zinc/20/06/96/132200696.db2.gz LHSWQSHIKRJTJV-KRWDZBQOSA-N 1 0 336.479 4.404 40 0 EIABRO CC[C@@H](COC(=O)C(c1ccccc1)c1ccccc1)[NH+](CC)CC ZINC000002023319 563418332 /nfs/dbraw/zinc/41/83/32/563418332.db2.gz YMGXPAUZNSVSLK-FQEVSTJZSA-N 1 0 339.479 4.482 40 0 EIABRO COc1ccc2c(c1)[C@]1(C)CC[N@H+](CCc3ccccc3)[C@H](C2)[C@H]1C ZINC000005048046 563519731 /nfs/dbraw/zinc/51/97/31/563519731.db2.gz DZXSIVYZBVEOTC-NLSFWIRASA-N 1 0 335.491 4.462 40 0 EIABRO CCCCC[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000007261225 563598320 /nfs/dbraw/zinc/59/83/20/563598320.db2.gz GXMQIUOWIYGPKE-UHFFFAOYSA-N 1 0 330.266 4.136 40 0 EIABRO Cc1c2cccc(C)c2oc1C(=O)NCCC[NH+]1Cc2ccccc2C1 ZINC000012193306 563655872 /nfs/dbraw/zinc/65/58/72/563655872.db2.gz QMVDUSINOZTPBY-UHFFFAOYSA-N 1 0 348.446 4.185 40 0 EIABRO COc1ccccc1C1([NH2+]Cc2cc3c(cc2C)OCO3)CCCC1 ZINC000012328263 563658067 /nfs/dbraw/zinc/65/80/67/563658067.db2.gz IFXRBDAJIVLBND-UHFFFAOYSA-N 1 0 339.435 4.291 40 0 EIABRO C[C@H]([NH2+]Cc1ccccc1OCC(=O)NC1CCCCC1)C(C)(C)C ZINC000036612539 563779263 /nfs/dbraw/zinc/77/92/63/563779263.db2.gz IWQNOTGGLMLYRN-INIZCTEOSA-N 1 0 346.515 4.039 40 0 EIABRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000016780526 563950097 /nfs/dbraw/zinc/95/00/97/563950097.db2.gz HCVTZZOECXSSPG-NQSCKRDGSA-N 1 0 339.479 4.262 40 0 EIABRO C/C1=N/CCSCc2ccccc2CSCC[NH2+]C(C)(C)C1 ZINC000068604977 563963289 /nfs/dbraw/zinc/96/32/89/563963289.db2.gz CTYXFIPCLTVCHO-CYVLTUHYSA-N 1 0 336.570 4.386 40 0 EIABRO Cn1cc(C[N@H+](Cc2ccccc2)[C@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000068605832 563963296 /nfs/dbraw/zinc/96/32/96/563963296.db2.gz OUXWLMCCCZTPEC-GOTSBHOMSA-N 1 0 348.490 4.484 40 0 EIABRO NNc1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc[nH+]1 ZINC000089263549 563974703 /nfs/dbraw/zinc/97/47/03/563974703.db2.gz SHQLNDHKJZYBRW-UHFFFAOYSA-N 1 0 337.235 4.465 40 0 EIABRO O[C@@H]1CCCC[C@H]2[C@H]1[C@@H](c1ccccc1F)C[N@@H+]2Cc1ccccc1 ZINC000095951711 563977814 /nfs/dbraw/zinc/97/78/14/563977814.db2.gz IRZZQHFNRRRFMO-FVTFTPSCSA-N 1 0 339.454 4.345 40 0 EIABRO Fc1cccc(C[N@@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)c1 ZINC000096073454 563979064 /nfs/dbraw/zinc/97/90/64/563979064.db2.gz ARIKQSHOUPLRAL-TZIWHRDSSA-N 1 0 325.427 4.364 40 0 EIABRO CCC[NH+]1CCC(c2cc3c(ncn3C)c(-c3ccccc3)n2)CC1 ZINC000096267113 563980655 /nfs/dbraw/zinc/98/06/55/563980655.db2.gz PYAIYGYYULDPTJ-UHFFFAOYSA-N 1 0 334.467 4.225 40 0 EIABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214444 563984783 /nfs/dbraw/zinc/98/47/83/563984783.db2.gz YXDAZUMCOLEERM-INIZCTEOSA-N 1 0 333.476 4.390 40 0 EIABRO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072214873 563984982 /nfs/dbraw/zinc/98/49/82/563984982.db2.gz GAOZPRPCRNBWMK-MRXNPFEDSA-N 1 0 333.476 4.388 40 0 EIABRO C[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215397 563985173 /nfs/dbraw/zinc/98/51/73/563985173.db2.gz ACECEPREPYDIJR-MRXNPFEDSA-N 1 0 331.460 4.142 40 0 EIABRO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCC[NH2+]2)cn1)C1CCC1 ZINC000072215455 563985263 /nfs/dbraw/zinc/98/52/63/563985263.db2.gz XXFRSTNHZYEXGB-MRXNPFEDSA-N 1 0 331.460 4.190 40 0 EIABRO CC1CCN(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000408872900 564007766 /nfs/dbraw/zinc/00/77/66/564007766.db2.gz KWAOPZNIBILGEO-UHFFFAOYSA-N 1 0 348.490 4.117 40 0 EIABRO CCOc1ccc(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000000568287 564012767 /nfs/dbraw/zinc/01/27/67/564012767.db2.gz ZFTYCXWWWROCKK-UHFFFAOYSA-N 1 0 326.440 4.179 40 0 EIABRO CCCCCC(=O)NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000005946120 564014337 /nfs/dbraw/zinc/01/43/37/564014337.db2.gz BOUCTNMKTPENKI-UHFFFAOYSA-N 1 0 347.528 4.066 40 0 EIABRO COCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000008469233 564016356 /nfs/dbraw/zinc/01/63/56/564016356.db2.gz HOLAXOJLTCHKJQ-UHFFFAOYSA-N 1 0 340.250 4.308 40 0 EIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3c(C)cccc3C)CC2)c1 ZINC000009062991 564016576 /nfs/dbraw/zinc/01/65/76/564016576.db2.gz VZVGLQUDNWWETI-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)c1 ZINC000009062992 564016579 /nfs/dbraw/zinc/01/65/79/564016579.db2.gz JAKMEBBZFMQSJZ-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO Fc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccsc1 ZINC000013991313 564020790 /nfs/dbraw/zinc/02/07/90/564020790.db2.gz TXUNPLVYHLKCJI-UHFFFAOYSA-N 1 0 329.444 4.176 40 0 EIABRO O=C(C[NH2+]Cc1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000057711884 564035075 /nfs/dbraw/zinc/03/50/75/564035075.db2.gz WQXAUYJGLLZPRE-UHFFFAOYSA-N 1 0 332.403 4.207 40 0 EIABRO O=C(NCC1=CCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224535789 564043079 /nfs/dbraw/zinc/04/30/79/564043079.db2.gz NPNZCHQUCBRXPF-UHFFFAOYSA-N 1 0 346.902 4.169 40 0 EIABRO O=C(NCC1=CCCCC1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224533931 564043081 /nfs/dbraw/zinc/04/30/81/564043081.db2.gz LMDBSQXRGPIANJ-UHFFFAOYSA-N 1 0 346.902 4.169 40 0 EIABRO CC(C)(C)CC(C)(C)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000224550721 564043093 /nfs/dbraw/zinc/04/30/93/564043093.db2.gz ORAWZMSFAKSMBL-UHFFFAOYSA-N 1 0 348.506 4.369 40 0 EIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccc(Cl)cc1 ZINC000225308797 564045812 /nfs/dbraw/zinc/04/58/12/564045812.db2.gz OJZRXOZANNVFQS-SFHVURJKSA-N 1 0 336.907 4.043 40 0 EIABRO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000225592725 564048106 /nfs/dbraw/zinc/04/81/06/564048106.db2.gz NNRZUYFQDYTGLL-MRXNPFEDSA-N 1 0 332.488 4.315 40 0 EIABRO C[C@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C(C)(C)C)cc2)C1 ZINC000225592677 564048124 /nfs/dbraw/zinc/04/81/24/564048124.db2.gz SMGNKNSQSQIPDI-INIZCTEOSA-N 1 0 332.488 4.172 40 0 EIABRO c1ccc(-c2ccccc2-c2cnc(OCC3CC[NH2+]CC3)nc2)cc1 ZINC000096675129 564051341 /nfs/dbraw/zinc/05/13/41/564051341.db2.gz WNQYADIBXRQLTO-UHFFFAOYSA-N 1 0 345.446 4.189 40 0 EIABRO CCOc1ccccc1NC(=S)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260739995 564052478 /nfs/dbraw/zinc/05/24/78/564052478.db2.gz RKJTYIKBRNAMTE-MRXNPFEDSA-N 1 0 349.544 4.026 40 0 EIABRO C[C@@H]1CCC[C@H](C)[N@H+]1CCC[C@](O)(c1ccccc1)c1ccccn1 ZINC000002020068 564099348 /nfs/dbraw/zinc/09/93/48/564099348.db2.gz APUDBKTWDCXQJA-JQVVWYNYSA-N 1 0 338.495 4.361 40 0 world EIABRO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cccc(OC[C@H]2CCCO2)c1 ZINC000253588987 564124668 /nfs/dbraw/zinc/12/46/68/564124668.db2.gz DJCFMTRMFOSGIU-CRAIPNDOSA-N 1 0 343.492 4.425 40 0 EIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000009063095 564127636 /nfs/dbraw/zinc/12/76/36/564127636.db2.gz FITHMYCUCRIAOT-UHFFFAOYSA-N 1 0 342.870 4.499 40 0 EIABRO Fc1ccc([C@@H]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@]34CCCN24)cc1 ZINC000019343368 564127935 /nfs/dbraw/zinc/12/79/35/564127935.db2.gz KYELLYOWCJKDFN-UXPWSPDFSA-N 1 0 342.483 4.299 40 0 EIABRO C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCCCN2Cc1ccncc1 ZINC000019713449 564128109 /nfs/dbraw/zinc/12/81/09/564128109.db2.gz QGKBIIWLUISYBZ-VJBWXMMDSA-N 1 0 349.522 4.190 40 0 EIABRO COc1ccccc1C[NH2+]CCc1cc(OC)c(C(C)C)cc1OC ZINC000299817184 564150844 /nfs/dbraw/zinc/15/08/44/564150844.db2.gz KMZZEEDFQLXSQF-UHFFFAOYSA-N 1 0 343.467 4.168 40 0 in-vitro EIABRO Cc1[nH+]c([C@H]2CCCN(Cc3cccc(F)c3F)C2)c2ccccn12 ZINC000019240678 202001261 /nfs/dbraw/zinc/00/12/61/202001261.db2.gz ZRNAUBCUAUPYAZ-INIZCTEOSA-N 1 0 341.405 4.301 40 0 EIABRO c1ccc([C@@H]2CC[N@@H+](Cc3c4cccnc4[nH]c3[C@@H]3CCCO3)C2)cc1 ZINC000019369988 202005149 /nfs/dbraw/zinc/00/51/49/202005149.db2.gz HYQUVPAWVMLCGI-XLIONFOSSA-N 1 0 347.462 4.404 40 0 EIABRO CCc1ncc(C[N@H+](CCc2ccccc2)Cc2cccs2)cn1 ZINC000019523289 202010283 /nfs/dbraw/zinc/01/02/83/202010283.db2.gz HLIQLGAAFJSCGG-UHFFFAOYSA-N 1 0 337.492 4.345 40 0 EIABRO COc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020038997 202030686 /nfs/dbraw/zinc/03/06/86/202030686.db2.gz KYWAFFBLSKBQEA-INIZCTEOSA-N 1 0 338.451 4.179 40 0 EIABRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1 ZINC000020111610 202033324 /nfs/dbraw/zinc/03/33/24/202033324.db2.gz DGIMIZYSRAALKA-QGZVFWFLSA-N 1 0 340.467 4.243 40 0 EIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)C1 ZINC000020487838 202045042 /nfs/dbraw/zinc/04/50/42/202045042.db2.gz CWEGTISRNKPRRT-CQSZACIVSA-N 1 0 344.405 4.449 40 0 EIABRO c1ccc(-c2ccc([C@@H](c3ccccc3)N3CC[NH2+]CC3)cc2)cc1 ZINC000022124061 202079941 /nfs/dbraw/zinc/07/99/41/202079941.db2.gz VADQOFSJMVECSB-HSZRJFAPSA-N 1 0 328.459 4.348 40 0 EIABRO CCC[C@H](C)c1ccc(OCCCCCCN2CC[NH2+]CC2)cc1 ZINC000022870985 202093356 /nfs/dbraw/zinc/09/33/56/202093356.db2.gz MVSIIQRGZVDOOK-IBGZPJMESA-N 1 0 332.532 4.435 40 0 EIABRO C[NH+](C)CCN(Cc1cccnc1)CC(C)(C)c1ccc(Cl)cc1 ZINC000022862028 202093541 /nfs/dbraw/zinc/09/35/41/202093541.db2.gz GKWPRYXHMJRCER-UHFFFAOYSA-N 1 0 345.918 4.076 40 0 EIABRO O=C(NC1CCCCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030943982 202201981 /nfs/dbraw/zinc/20/19/81/202201981.db2.gz YRZXQJKBSUWRHC-LJQANCHMSA-N 1 0 328.500 4.128 40 0 EIABRO COc1ccc([C@H](O)[C@@H]([NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000031961938 202216796 /nfs/dbraw/zinc/21/67/96/202216796.db2.gz ZVOJPKQDEDCIGN-VXKWHMMOSA-N 1 0 333.431 4.260 40 0 EIABRO [NH3+]C[C@@H](c1ccc(OCc2ccccc2)cc1)C1(O)CCCCC1 ZINC000077028381 202390470 /nfs/dbraw/zinc/39/04/70/202390470.db2.gz VZCAQVAOYRJTED-FQEVSTJZSA-N 1 0 325.452 4.003 40 0 EIABRO C1=[N+](C23CC4CC(CC(C4)C2)C3)CCN1C12CC3CC(CC(C3)C1)C2 ZINC000044583746 541303905 /nfs/dbraw/zinc/30/39/05/541303905.db2.gz RGROCAXBDFXGOA-UHFFFAOYSA-N 1 0 339.547 4.280 40 0 EIABRO C[NH+](C)CCN(Cc1cccs1)Cc1c(F)cccc1Cl ZINC000023247841 212363348 /nfs/dbraw/zinc/36/33/48/212363348.db2.gz VNNRYMDMYYOSCX-UHFFFAOYSA-N 1 0 326.868 4.104 40 0 EIABRO COc1ccc(CC[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1OC ZINC000022074713 212274824 /nfs/dbraw/zinc/27/48/24/212274824.db2.gz ABEXWHPAGAJPDC-UHFFFAOYSA-N 1 0 340.250 4.343 40 0 EIABRO O[C@](CC[NH+]1CC2CCC(CC2)C1)(Cc1ccccc1)c1ccco1 ZINC000001615893 201513517 /nfs/dbraw/zinc/51/35/17/201513517.db2.gz MZNWMCBGOMQURI-QETWGEEDSA-N 1 0 339.479 4.222 40 0 EIABRO C[NH+]1[C@H](C[C@H](O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000002243056 201527902 /nfs/dbraw/zinc/52/79/02/201527902.db2.gz OWGJQNXIWMMDTH-CMOCDZPBSA-N 1 0 339.479 4.087 40 0 biogenic,in-vitro EIABRO COc1cccc(Cc2cnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)c1 ZINC000257209402 244145588 /nfs/dbraw/zinc/14/55/88/244145588.db2.gz BQEXHEUDIFLNQJ-IBGZPJMESA-N 1 0 348.446 4.264 40 0 EIABRO c1cc(Nc2cnccn2)nc(C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000257235457 244225913 /nfs/dbraw/zinc/22/59/13/244225913.db2.gz GXYRAFMHRQVLNA-UHFFFAOYSA-N 1 0 337.471 4.127 40 0 EIABRO Cc1cc(-c2cnn(C)c2)cc([C@H]2CCC[N@H+](CC(C)(C)C)C2)n1 ZINC000072353602 203204267 /nfs/dbraw/zinc/20/42/67/203204267.db2.gz CHSILKWQWOMIPF-INIZCTEOSA-N 1 0 326.488 4.016 40 0 EIABRO Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1nnc(-c2ccsc2)o1 ZINC000072390169 203212932 /nfs/dbraw/zinc/21/29/32/203212932.db2.gz FFNHGOUBCGPOQO-MRXNPFEDSA-N 1 0 325.437 4.444 40 0 EIABRO c1[nH]c2ccccc2c1C[N@@H+]1CC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000049169330 204369165 /nfs/dbraw/zinc/36/91/65/204369165.db2.gz VLIBVCLOTXFJEF-INIZCTEOSA-N 1 0 344.418 4.207 40 0 biogenic,in-vitro EIABRO C[NH+](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118926855 204615719 /nfs/dbraw/zinc/61/57/19/204615719.db2.gz KIVXGCJMIWJWBX-BHXFFAOXSA-N 1 0 345.527 4.421 40 0 EIABRO CC[n+]1cc(Br)cc(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000226774908 205153763 /nfs/dbraw/zinc/15/37/63/205153763.db2.gz YWAOYOJFULBWPC-UHFFFAOYSA-N 1 0 332.221 4.182 40 0 EIABRO C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008377386 206528224 /nfs/dbraw/zinc/52/82/24/206528224.db2.gz FIOIEQYNVNESCA-UHFFFAOYSA-N 1 0 326.223 4.300 40 0 EIABRO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1 ZINC000000568259 257869923 /nfs/dbraw/zinc/86/99/23/257869923.db2.gz HRQYPIXSMNAVMI-UHFFFAOYSA-N 1 0 340.467 4.163 40 0 EIABRO CCOP(=O)(OCC)C(F)(F)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000306145922 257926718 /nfs/dbraw/zinc/92/67/18/257926718.db2.gz VYOJJPMHKHXEBL-LBPRGKRZSA-N 1 0 341.722 4.241 40 0 EIABRO Cc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000019234949 524408680 /nfs/dbraw/zinc/40/86/80/524408680.db2.gz RUAIEUPIIGMCFC-HNNXBMFYSA-N 1 0 325.437 4.096 40 0 EIABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2Cl)CC1 ZINC000255187714 534905882 /nfs/dbraw/zinc/90/58/82/534905882.db2.gz GJARMCQNWKHIMO-SHTZXODSSA-N 1 0 338.879 4.266 40 0 EIABRO CCC(=O)N1CCC[C@@H](c2cc(Nc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000257211653 535301554 /nfs/dbraw/zinc/30/15/54/535301554.db2.gz BZSQTJRWUOYMTO-OAHLLOKOSA-N 1 0 341.430 4.389 40 0 EIABRO CCc1cc(CC)c(CC)c(C(=O)OCC[NH+](CC)CC)c1CC ZINC000001646513 563399297 /nfs/dbraw/zinc/39/92/97/563399297.db2.gz HDCHIMYXKIZTCQ-UHFFFAOYSA-N 1 0 333.516 4.435 40 0 EIABRO CC1(C)CC[N@H+](CCOC(=O)[C@H](c2ccccc2)[C@H]2C=CCCC2)C1 ZINC000001680707 563402640 /nfs/dbraw/zinc/40/26/40/563402640.db2.gz FVTFMKWTHZZTJA-VQTJNVASSA-N 1 0 341.495 4.402 40 0 EIABRO CC[NH+](CC)CCSCCNc1ccnc2cc(Cl)ccc21 ZINC000001700325 563404692 /nfs/dbraw/zinc/40/46/92/563404692.db2.gz VKFWCCLDMLDYAW-UHFFFAOYSA-N 1 0 337.920 4.375 40 0 EIABRO CC(C)(C)c1cc([C@@H](O)CCC2CC[NH2+]CC2)c2ccccc2n1 ZINC000002021299 563417903 /nfs/dbraw/zinc/41/79/03/563417903.db2.gz OPNPUTUBENWDBA-IBGZPJMESA-N 1 0 326.484 4.346 40 0 in-man EIABRO Cc1ccc(-c2nn(-c3ccc(C)cc3)[n+](-c3ccc(C)cc3)n2)cc1 ZINC000002527996 563439702 /nfs/dbraw/zinc/43/97/02/563439702.db2.gz SJPNPKQNWJJRPX-UHFFFAOYSA-N 1 0 341.438 4.136 40 0 EIABRO CC[NH+](CC)c1ccc(NC[C@@H](O)c2cc(Cl)ccc2OC)cc1 ZINC000005883625 563553345 /nfs/dbraw/zinc/55/33/45/563553345.db2.gz HPUSDYJBVWYKKF-GOSISDBHSA-N 1 0 348.874 4.340 40 0 EIABRO Cc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000035314245 563559722 /nfs/dbraw/zinc/55/97/22/563559722.db2.gz UOYRWPIMYBCOKG-IHWFROFDSA-N 1 0 349.478 4.312 40 0 EIABRO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000006356058 563565946 /nfs/dbraw/zinc/56/59/46/563565946.db2.gz YSBWPYOHMLOJIM-JENIJYKNSA-N 1 0 327.468 4.291 40 0 EIABRO Cc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000007464130 563602886 /nfs/dbraw/zinc/60/28/86/563602886.db2.gz KAEWJJNYNXNJFP-UHFFFAOYSA-N 1 0 339.508 4.077 40 0 EIABRO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccc(F)cc1 ZINC000008471553 563630914 /nfs/dbraw/zinc/63/09/14/563630914.db2.gz BRKYITHZHSJFSH-UHFFFAOYSA-N 1 0 329.415 4.446 40 0 EIABRO C[C@H](O)C[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008498067 563631660 /nfs/dbraw/zinc/63/16/60/563631660.db2.gz VKAXJGOCJWWCEA-LBPRGKRZSA-N 1 0 340.250 4.043 40 0 EIABRO O=C(NCCSC1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010337428 563647649 /nfs/dbraw/zinc/64/76/49/563647649.db2.gz QXCIEMVAMJFDLP-UHFFFAOYSA-N 1 0 346.540 4.078 40 0 EIABRO C[C@@H](C[N@H+]1C[C@@H](c2ccccc2)[C@H](c2cc[nH]n2)C1)c1ccccc1 ZINC000012128708 563654261 /nfs/dbraw/zinc/65/42/61/563654261.db2.gz JRHKZMXWUDPRFR-DZFGPLHGSA-N 1 0 331.463 4.396 40 0 EIABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cccs1 ZINC000012146991 563654606 /nfs/dbraw/zinc/65/46/06/563654606.db2.gz XQENCSZVYRIFLI-UHFFFAOYSA-N 1 0 341.480 4.046 40 0 EIABRO COc1ccccc1/C=C/C[NH+]1CCC(O)(c2cccc(C)c2)CC1 ZINC000012328898 563658079 /nfs/dbraw/zinc/65/80/79/563658079.db2.gz UNFIEZWYVFFOJG-RMKNXTFCSA-N 1 0 337.463 4.000 40 0 EIABRO O[C@H](C[NH+]1CCCCC1)C12C[C@@H]3C[C@@H](CC(c4ccccc4)(C3)C1)C2 ZINC000016807322 563824400 /nfs/dbraw/zinc/82/44/00/563824400.db2.gz FAPURBNBNPMIEX-RFLLHJHLSA-N 1 0 339.523 4.371 40 0 EIABRO Cc1ccc(C[NH+]2CCC(c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000019210212 563854816 /nfs/dbraw/zinc/85/48/16/563854816.db2.gz YDWFUAAXHVZDOB-UHFFFAOYSA-N 1 0 339.464 4.486 40 0 EIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2Cl)CC1 ZINC000039761433 563900387 /nfs/dbraw/zinc/90/03/87/563900387.db2.gz LLCPUMLVVYKWMM-UHFFFAOYSA-N 1 0 342.870 4.499 40 0 EIABRO Cc1c(Cl)cccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039772414 563900440 /nfs/dbraw/zinc/90/04/40/563900440.db2.gz OABDAVLVNWHNDQ-UHFFFAOYSA-N 1 0 342.870 4.499 40 0 EIABRO CCc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038833659 563922158 /nfs/dbraw/zinc/92/21/58/563922158.db2.gz ZQUAHHRAKCPHJT-SFHVURJKSA-N 1 0 340.442 4.239 40 0 EIABRO O=C(NC1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038832545 563922176 /nfs/dbraw/zinc/92/21/76/563922176.db2.gz IMBGNGGONMQNRO-INIZCTEOSA-N 1 0 334.891 4.001 40 0 EIABRO Cc1cc(C)cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038833540 563922186 /nfs/dbraw/zinc/92/21/86/563922186.db2.gz GNKJQNLOIZJVQN-GOSISDBHSA-N 1 0 340.442 4.293 40 0 EIABRO Cc1cccc(CNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000044912407 563928292 /nfs/dbraw/zinc/92/82/92/563928292.db2.gz TYNLSALWDGBNFB-SFHVURJKSA-N 1 0 336.479 4.157 40 0 EIABRO Fc1ccc(CN[C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(F)cc2)cc1 ZINC000079439288 563970974 /nfs/dbraw/zinc/97/09/74/563970974.db2.gz QTUZDQRFYDFJHL-BGYRXZFFSA-N 1 0 330.422 4.155 40 0 EIABRO O[C@@H]1CCCC[C@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@@H+]2Cc1ccccc1 ZINC000095951708 563977858 /nfs/dbraw/zinc/97/78/58/563977858.db2.gz MODPAPWMWURKBP-CIAFKFPVSA-N 1 0 339.454 4.345 40 0 EIABRO c1csc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)c1 ZINC000096057045 563978677 /nfs/dbraw/zinc/97/86/77/563978677.db2.gz MLZRAKKTHLMVRT-WOJBJXKFSA-N 1 0 349.540 4.326 40 0 EIABRO CC(C)(C)[C@@H]1CC[C@@](O)(C[N@@H+]2CCC[C@H]3OC(C)(C)CC[C@H]32)CC1 ZINC000585282807 563981777 /nfs/dbraw/zinc/98/17/77/563981777.db2.gz AUIFHTIEOMJCAI-IKVWTGGYSA-N 1 0 337.548 4.376 40 0 EIABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214517 563984780 /nfs/dbraw/zinc/98/47/80/563984780.db2.gz YNYNIHKBVMZYOX-INIZCTEOSA-N 1 0 333.476 4.390 40 0 EIABRO CC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215314 563985189 /nfs/dbraw/zinc/98/51/89/563985189.db2.gz MCCSQPBHWPWHCQ-INIZCTEOSA-N 1 0 331.460 4.142 40 0 EIABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccccc1CC)C2 ZINC000004857073 564005390 /nfs/dbraw/zinc/00/53/90/564005390.db2.gz XHKJFAGFDOQHKH-AYHJJNSGSA-N 1 0 345.556 4.331 40 0 EIABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1cccc(C)c1C)C2 ZINC000004857105 564005402 /nfs/dbraw/zinc/00/54/02/564005402.db2.gz IQGCNCPKGSHJQI-AYHJJNSGSA-N 1 0 345.556 4.385 40 0 EIABRO C[N@H+]1CC=C(/C=C/c2cccn2CCOc2ccc(Cl)cc2)CC1 ZINC000005002425 564005682 /nfs/dbraw/zinc/00/56/82/564005682.db2.gz UVXREQJKJVVOJI-QPJJXVBHSA-N 1 0 342.870 4.496 40 0 EIABRO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccc(C)cc2C)cc1 ZINC000000568260 564012755 /nfs/dbraw/zinc/01/27/55/564012755.db2.gz SNXKDSKQECXFPP-UHFFFAOYSA-N 1 0 340.467 4.163 40 0 EIABRO Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000005969217 564014369 /nfs/dbraw/zinc/01/43/69/564014369.db2.gz AOCMLMMKTSSLDW-UHFFFAOYSA-N 1 0 328.843 4.497 40 0 EIABRO C[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000008377340 564016185 /nfs/dbraw/zinc/01/61/85/564016185.db2.gz DFGKVPMHENCBSC-UHFFFAOYSA-N 1 0 326.223 4.300 40 0 EIABRO COc1ccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000008497310 564016286 /nfs/dbraw/zinc/01/62/86/564016286.db2.gz OEIYAWJDENSTAW-OSONQDNFSA-N 1 0 329.484 4.398 40 0 EIABRO COc1ccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000008534856 564016315 /nfs/dbraw/zinc/01/63/15/564016315.db2.gz OEIYAWJDENSTAW-RWLLOJOVSA-N 1 0 329.484 4.398 40 0 EIABRO COc1ccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c(OC)c1 ZINC000008534874 564016331 /nfs/dbraw/zinc/01/63/31/564016331.db2.gz XTBQXIBHXPROMG-LFPRZYRFSA-N 1 0 329.484 4.398 40 0 EIABRO COc1cc(C[NH2+]C2CC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008470230 564016340 /nfs/dbraw/zinc/01/63/40/564016340.db2.gz HQCBCIJNFHNZJA-UHFFFAOYSA-N 1 0 335.806 4.319 40 0 EIABRO CCc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063560 564016596 /nfs/dbraw/zinc/01/65/96/564016596.db2.gz RONNENTZPQBMKI-UHFFFAOYSA-N 1 0 340.442 4.239 40 0 EIABRO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1(c2ccccc2)CCCC1 ZINC000013465422 564020011 /nfs/dbraw/zinc/02/00/11/564020011.db2.gz TVSLBGTUONIWBK-ICSRJNTNSA-N 1 0 341.495 4.306 40 0 EIABRO c1ccc(COc2cccc(C[NH2+]Cc3ccc4c(c3)OCO4)c2)cc1 ZINC000016480724 564024632 /nfs/dbraw/zinc/02/46/32/564024632.db2.gz RZHKOVKQSQTPPP-UHFFFAOYSA-N 1 0 347.414 4.284 40 0 EIABRO CC(C)c1ccc(C[NH+]2CCC(c3cc4nccnc4[nH]3)CC2)cc1 ZINC000057774892 564035336 /nfs/dbraw/zinc/03/53/36/564035336.db2.gz HATMCELTYJHKRK-UHFFFAOYSA-N 1 0 334.467 4.461 40 0 EIABRO O=C(c1ccccc1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000064550050 564051051 /nfs/dbraw/zinc/05/10/51/564051051.db2.gz KSKQPQJGZKKGHN-UHFFFAOYSA-N 1 0 348.490 4.205 40 0 EIABRO CC(C)Cc1ncc(-c2cncc([C@H]3CCC[N@@H+]3C(C)C)n2)s1 ZINC000257326791 564055482 /nfs/dbraw/zinc/05/54/82/564055482.db2.gz WYOUNYXSVUFWAW-MRXNPFEDSA-N 1 0 330.501 4.344 40 0 EIABRO Cc1ccccc1C[N@@H+]1CC[C@H](c2nc(-c3ccccc3C)no2)C1 ZINC000257344635 564055838 /nfs/dbraw/zinc/05/58/38/564055838.db2.gz ZYCHEDMQEMHNJA-SFHVURJKSA-N 1 0 333.435 4.343 40 0 EIABRO c1cn(CC2CC2)c([C@@H]2C[N@H+](Cc3ccoc3)Cc3ccccc32)n1 ZINC000306129734 564062203 /nfs/dbraw/zinc/06/22/03/564062203.db2.gz ILHAYNHOHGJTTD-HXUWFJFHSA-N 1 0 333.435 4.034 40 0 EIABRO CCc1cccc(C)c1Nc1cc(C2CC2)nc(NC2CCCC2)n1 ZINC000328962591 564070959 /nfs/dbraw/zinc/07/09/59/564070959.db2.gz BJWJRRLCGUSEDJ-UHFFFAOYSA-N 1 0 336.483 4.167 40 0 EIABRO Cc1nc(N2Cc3ccccc3CC2(C)C)cc(NC2CCCC2)[nH+]1 ZINC000329057793 564072028 /nfs/dbraw/zinc/07/20/28/564072028.db2.gz VZJDGMLTDHLTRS-UHFFFAOYSA-N 1 0 336.483 4.481 40 0 EIABRO Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](CNc3ccccn3)C=C2C)o1 ZINC000035442638 564083529 /nfs/dbraw/zinc/08/35/29/564083529.db2.gz HOOVOIKKLPLEMQ-BZSNNMDCSA-N 1 0 340.471 4.282 40 0 biogenic,in-vitro EIABRO OC1CC[NH+](C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 ZINC000140524844 564118089 /nfs/dbraw/zinc/11/80/89/564118089.db2.gz YVTSVEWVWPRKMB-UHFFFAOYSA-N 1 0 343.470 4.435 40 0 EIABRO c1cnc2[nH]c([C@H]3CCCO3)c(C[N@@H+]3CC[C@H]4CCCC[C@H]4C3)c2c1 ZINC000253590102 564124691 /nfs/dbraw/zinc/12/46/91/564124691.db2.gz CGLBQXCRGUSAEM-JTDSTZFVSA-N 1 0 339.483 4.427 40 0 EIABRO Cc1c(Cl)cccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010334826 564127770 /nfs/dbraw/zinc/12/77/70/564127770.db2.gz IRAANZTZJRKMEK-UHFFFAOYSA-N 1 0 328.843 4.497 40 0 EIABRO CC[C@@]1(C)C[C@]2(CCC[N@H+](CCC(=O)c3ccccc3)C2)CCO1 ZINC000003147627 564155508 /nfs/dbraw/zinc/15/55/08/564155508.db2.gz HPAWIRFVASVWBY-SFTDATJTSA-N 1 0 329.484 4.321 40 0 EIABRO CC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000008227216 201741252 /nfs/dbraw/zinc/74/12/52/201741252.db2.gz LVXWUKWNSUIPMW-UHFFFAOYSA-N 1 0 338.220 4.277 40 0 EIABRO CCN(CC[NH+](CC)CC)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000019074491 201998643 /nfs/dbraw/zinc/99/86/43/201998643.db2.gz QNZZCOBNOHLVIM-UHFFFAOYSA-N 1 0 332.275 4.189 40 0 EIABRO Cc1[nH+]c([C@@H]2CCCN(Cc3cccc(F)c3F)C2)c2ccccn12 ZINC000019240677 202000582 /nfs/dbraw/zinc/00/05/82/202000582.db2.gz ZRNAUBCUAUPYAZ-MRXNPFEDSA-N 1 0 341.405 4.301 40 0 EIABRO Cc1ccc(-c2nnc(C3CC[NH+](Cc4ccccc4)CC3)o2)s1 ZINC000019217857 202001323 /nfs/dbraw/zinc/00/13/23/202001323.db2.gz JQTFKWWMVKNZAT-UHFFFAOYSA-N 1 0 339.464 4.486 40 0 EIABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c(F)c1 ZINC000019346911 202005479 /nfs/dbraw/zinc/00/54/79/202005479.db2.gz NOVHKYBVAYAPJJ-OAHLLOKOSA-N 1 0 327.378 4.221 40 0 EIABRO COc1ccc([C@H](C)[NH2+]Cc2cnc(SCC(C)C)nc2)cc1F ZINC000019447379 202006603 /nfs/dbraw/zinc/00/66/03/202006603.db2.gz RYNFEDHFTQZPRX-ZDUSSCGKSA-N 1 0 349.475 4.223 40 0 EIABRO CC(C)c1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000019453180 202009016 /nfs/dbraw/zinc/00/90/16/202009016.db2.gz ZGDBXAOBXGOUQP-IBGZPJMESA-N 1 0 348.450 4.245 40 0 EIABRO CCc1ncc(C[N@@H+]2CCCC[C@H]2CCc2ccc(OC)cc2)cn1 ZINC000019523414 202010528 /nfs/dbraw/zinc/01/05/28/202010528.db2.gz JEFFJOLBPXDYTG-IBGZPJMESA-N 1 0 339.483 4.035 40 0 EIABRO C[N@H+](Cc1c2ncccc2[nH]c1C1CCOCC1)Cc1ccccc1 ZINC000019586531 202013015 /nfs/dbraw/zinc/01/30/15/202013015.db2.gz ANZQHVKPTFIQSS-UHFFFAOYSA-N 1 0 335.451 4.089 40 0 EIABRO CCCn1nc(C)c(-c2cncn2[C@@H](CC)C[NH+]2CCCCC2)c1C ZINC000019654598 202015881 /nfs/dbraw/zinc/01/58/81/202015881.db2.gz XDPRNGCYVGPDHJ-SFHVURJKSA-N 1 0 343.519 4.210 40 0 EIABRO CC(C)C(NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000020460487 202043815 /nfs/dbraw/zinc/04/38/15/202043815.db2.gz MIIIAACAYYHYPI-KRWDZBQOSA-N 1 0 330.516 4.329 40 0 EIABRO c1ccc(-c2ccc([C@H](c3ccccc3)N3CC[NH2+]CC3)cc2)cc1 ZINC000022124064 202079514 /nfs/dbraw/zinc/07/95/14/202079514.db2.gz VADQOFSJMVECSB-QHCPKHFHSA-N 1 0 328.459 4.348 40 0 EIABRO C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000021905938 202074390 /nfs/dbraw/zinc/07/43/90/202074390.db2.gz UDKSZBGSKKHDCO-GOSISDBHSA-N 1 0 336.479 4.206 40 0 EIABRO CC[C@@H]1CCC[N@H+](C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 ZINC000026781030 202147776 /nfs/dbraw/zinc/14/77/76/202147776.db2.gz DAEXSSOBURHTQY-IQIXRORZSA-N 1 0 349.559 4.092 40 0 EIABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1cccc(Cl)c1 ZINC000031664302 202208666 /nfs/dbraw/zinc/20/86/66/202208666.db2.gz FQJJNAPNPKIABX-UHFFFAOYSA-N 1 0 343.858 4.258 40 0 EIABRO c1cnc2[nH]c([C@@H]3CCCO3)c(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)c2c1 ZINC000036741429 202330522 /nfs/dbraw/zinc/33/05/22/202330522.db2.gz CGLBQXCRGUSAEM-MDZRGWNJSA-N 1 0 339.483 4.427 40 0 EIABRO CC1CC[NH+](C[C@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000020806389 212173266 /nfs/dbraw/zinc/17/32/66/212173266.db2.gz YCNCDZXLEPMBSO-FQEVSTJZSA-N 1 0 331.500 4.206 40 0 EIABRO O=C(CCCC[NH+]1CCCCC1)Nc1ccc(Br)cc1 ZINC000071256246 203088625 /nfs/dbraw/zinc/08/86/25/203088625.db2.gz UQXIUAXWVLKFCI-UHFFFAOYSA-N 1 0 339.277 4.044 40 0 EIABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](CC4CCCCC4)C3)n2)c1 ZINC000072369879 203208990 /nfs/dbraw/zinc/20/89/90/203208990.db2.gz IMNJYMKFSXOLSF-QGZVFWFLSA-N 1 0 341.455 4.115 40 0 EIABRO Cc1nccn1-c1cccc([C@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000072378683 203210125 /nfs/dbraw/zinc/21/01/25/203210125.db2.gz IBZOFIFQLKWQNW-OAQYLSRUSA-N 1 0 346.478 4.345 40 0 EIABRO c1csc(CN2C[C@@H]3C[C@H](c4cccs4)[N@@H+]4CCC[C@@]34C2)c1 ZINC000072342198 203202930 /nfs/dbraw/zinc/20/29/30/203202930.db2.gz VZCGSGGZCDERBK-YXJHDRRASA-N 1 0 330.522 4.221 40 0 EIABRO COc1ccc2ccccc2c1C[N@@H+]1[C@@H]2CC[C@H]1c1cnc(C)nc1C2 ZINC000072340968 203203579 /nfs/dbraw/zinc/20/35/79/203203579.db2.gz OCDHPYUMOFHCFC-IERDGZPVSA-N 1 0 345.446 4.209 40 0 EIABRO COc1cccc(-c2cncc(C3CC[NH+](C4CCCC4)CC3)n2)c1 ZINC000072359259 203204323 /nfs/dbraw/zinc/20/43/23/203204323.db2.gz XRPAUMDJOKIFML-UHFFFAOYSA-N 1 0 337.467 4.274 40 0 EIABRO Cc1sc2c([C@H]3CCC[N@H+](Cc4ccncc4)C3)nc(C)n2c1C ZINC000072351264 203204582 /nfs/dbraw/zinc/20/45/82/203204582.db2.gz LXFSKTLRTUXYRA-KRWDZBQOSA-N 1 0 340.496 4.096 40 0 EIABRO Fc1ccccc1-c1nccnc1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072358573 203205205 /nfs/dbraw/zinc/20/52/05/203205205.db2.gz CCPRSXXWEDPAIV-QGZVFWFLSA-N 1 0 348.425 4.057 40 0 EIABRO Fc1ccc(Cc2cccc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000072358154 203205553 /nfs/dbraw/zinc/20/55/53/203205553.db2.gz YXQJQMSSXHZNFZ-NRFANRHFSA-N 1 0 340.442 4.127 40 0 EIABRO CCC(CC)C(=O)NCC1CCC([C@@H](c2ccccn2)[NH+](C)C)CC1 ZINC000072391150 203214239 /nfs/dbraw/zinc/21/42/39/203214239.db2.gz DYZXLXGSKPFXQX-NLPFYKDJSA-N 1 0 345.531 4.043 40 0 EIABRO CC[C@H](C)C[NH+]1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 ZINC000096155787 203845514 /nfs/dbraw/zinc/84/55/14/203845514.db2.gz ZXLWNXVYKLEHAH-INIZCTEOSA-N 1 0 349.482 4.017 40 0 EIABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000100809720 206256151 /nfs/dbraw/zinc/25/61/51/206256151.db2.gz HJXTYXBRUADTPA-IYBDPMFKSA-N 1 0 338.879 4.266 40 0 EIABRO CC[NH+]1CCN(c2ccc(Nc3ccnc4ccccc43)cc2)CC1 ZINC000000034183 521700140 /nfs/dbraw/zinc/70/01/40/521700140.db2.gz OFUMMVWXZVSCDV-UHFFFAOYSA-N 1 0 332.451 4.120 40 0 EIABRO CCOc1cc(C=O)ccc1OCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000217799283 535671046 /nfs/dbraw/zinc/67/10/46/535671046.db2.gz VRJPPWFPVGSCAS-CALCHBBNSA-N 1 0 333.472 4.035 40 0 EIABRO CCCC[NH2+][C@@H](C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000001664848 563400277 /nfs/dbraw/zinc/40/02/77/563400277.db2.gz GQEAVQHYRFJHHD-LJQANCHMSA-N 1 0 327.424 4.018 40 0 EIABRO CC(C)[NH2+][C@@H]1C2CCC(CC2)[C@@]1(O)c1ccc(Cl)c(Cl)c1 ZINC000001693021 563404166 /nfs/dbraw/zinc/40/41/66/563404166.db2.gz MQILJMOEUMZBHK-FIMMUYGNSA-N 1 0 328.283 4.368 40 0 in-man EIABRO CCCCN(CC[NH+](CC)CC)C(=O)c1cccc2ccccc21 ZINC000002010639 563417950 /nfs/dbraw/zinc/41/79/50/563417950.db2.gz WWGZXRYELYWJBD-UHFFFAOYSA-N 1 0 326.484 4.424 40 0 in-man EIABRO CN(C(=O)OCc1ccccc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000002513012 563435163 /nfs/dbraw/zinc/43/51/63/563435163.db2.gz RASOJUVCWQVRHT-HXUWFJFHSA-N 1 0 338.451 4.092 40 0 EIABRO CC(=O)O[C@@H](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(Cl)cc1 ZINC000004934835 563515514 /nfs/dbraw/zinc/51/55/14/563515514.db2.gz CDGAJXKXQQRYAY-BXWFABGCSA-N 1 0 335.875 4.456 40 0 EIABRO CCc1ccc(C2=C(C)SN=C(NC3=[NH+]CCCCC3)N2)cc1 ZINC000005667384 563544470 /nfs/dbraw/zinc/54/44/70/563544470.db2.gz YEGJAKDAGDHRLP-UHFFFAOYSA-N 1 0 328.485 4.107 40 0 EIABRO COc1cc(C[NH2+]C2CCCC2)ccc1OCCc1ccccc1 ZINC000007540058 563605473 /nfs/dbraw/zinc/60/54/73/563605473.db2.gz UMRBEBBMODIHCN-UHFFFAOYSA-N 1 0 325.452 4.349 40 0 EIABRO Cn1cncc1C[NH2+][C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000012087515 563653112 /nfs/dbraw/zinc/65/31/12/563653112.db2.gz CDJGIYHFOCMFSK-RDGPPVDQSA-N 1 0 329.875 4.136 40 0 EIABRO Cc1c2ccccc2[nH]c1C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000012363494 563658822 /nfs/dbraw/zinc/65/88/22/563658822.db2.gz FVIFURLAXBDRBL-UHFFFAOYSA-N 1 0 338.426 4.099 40 0 EIABRO CC1(C)CCCN(C(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000039767259 563900451 /nfs/dbraw/zinc/90/04/51/563900451.db2.gz KAILKJPFLWQXQX-UHFFFAOYSA-N 1 0 348.918 4.201 40 0 EIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3F)cc2)C1 ZINC000038849265 563922375 /nfs/dbraw/zinc/92/23/75/563922375.db2.gz MBHGDAQDYBWGNQ-HNNXBMFYSA-N 1 0 326.415 4.310 40 0 EIABRO CC1(C)CC(N(Cc2ccccc2)Cc2cccnc2)CC(C)(C)[NH2+]1 ZINC000057810546 563935903 /nfs/dbraw/zinc/93/59/03/563935903.db2.gz DBEQXGYEUSFBBN-UHFFFAOYSA-N 1 0 337.511 4.393 40 0 EIABRO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CCF)CC2)cc1 ZINC000585099950 563971435 /nfs/dbraw/zinc/97/14/35/563971435.db2.gz ATXUCYAFXLMOSE-NRFANRHFSA-N 1 0 346.490 4.127 40 0 EIABRO C[C@H]1C[C@@H](OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)CC(C)(C)C1 ZINC000095532682 563977591 /nfs/dbraw/zinc/97/75/91/563977591.db2.gz ZCGOSUPULPBKSS-GVDBMIGSSA-N 1 0 327.553 4.383 40 0 EIABRO FC1(F)CC[N@H+](Cc2ccoc2)C[C@]12CCN(c1ccccc1)C2 ZINC000096051097 563978497 /nfs/dbraw/zinc/97/84/97/563978497.db2.gz UJXYWASZNRCNOC-SFHVURJKSA-N 1 0 332.394 4.017 40 0 EIABRO c1csc(C[N@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)c1 ZINC000096061584 563979017 /nfs/dbraw/zinc/97/90/17/563979017.db2.gz MTBWVTVIWVWSLI-VQTJNVASSA-N 1 0 327.493 4.360 40 0 EIABRO Fc1cccc(C[N@@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)c1 ZINC000096073457 563979069 /nfs/dbraw/zinc/97/90/69/563979069.db2.gz ARIKQSHOUPLRAL-FPOVZHCZSA-N 1 0 325.427 4.364 40 0 EIABRO c1csc(C[N@H+]2CC[C@@H](OCC3CC3)[C@@H](Cc3ccccc3)C2)n1 ZINC000096110285 563979290 /nfs/dbraw/zinc/97/92/90/563979290.db2.gz JBVKXXFZDUCBCV-RBUKOAKNSA-N 1 0 342.508 4.003 40 0 EIABRO Fc1ccc(C[NH+]2CCC3(C[C@H](Oc4ccccc4)CO3)CC2)cc1 ZINC000096221818 563980485 /nfs/dbraw/zinc/98/04/85/563980485.db2.gz NGPURGYCPNXKFF-FQEVSTJZSA-N 1 0 341.426 4.028 40 0 EIABRO CC1(C)CCC([NH+]2CCC(O)(COc3ccccc3F)CC2)CC1 ZINC000585281754 563981766 /nfs/dbraw/zinc/98/17/66/563981766.db2.gz QTISXDVSLBGXQR-UHFFFAOYSA-N 1 0 335.463 4.000 40 0 EIABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214619 563984823 /nfs/dbraw/zinc/98/48/23/563984823.db2.gz NHTHFPWXQVJZIU-MRXNPFEDSA-N 1 0 333.476 4.390 40 0 EIABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1CC ZINC000072214729 563984941 /nfs/dbraw/zinc/98/49/41/563984941.db2.gz OVTMXNYCYGBANP-INIZCTEOSA-N 1 0 333.476 4.390 40 0 EIABRO Cc1cc2c(cc1C)CN(CC(=O)Nc1cccc3ccccc31)C2 ZINC000008367577 563997829 /nfs/dbraw/zinc/99/78/29/563997829.db2.gz YJZJYIUMOHABEX-UHFFFAOYSA-N 1 0 330.431 4.411 40 0 EIABRO CCCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)nc(C)n2C ZINC000409143376 564010540 /nfs/dbraw/zinc/01/05/40/564010540.db2.gz NBEZPLNHIUXWTG-UHFFFAOYSA-N 1 0 336.439 4.326 40 0 EIABRO COc1cccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c1OC ZINC000008497383 564016301 /nfs/dbraw/zinc/01/63/01/564016301.db2.gz RXJBOMWQCKWPTE-HILYYZTDSA-N 1 0 329.484 4.398 40 0 EIABRO CCc1ccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000009063006 564016542 /nfs/dbraw/zinc/01/65/42/564016542.db2.gz HBPPSUFLMGEDJL-UHFFFAOYSA-N 1 0 336.479 4.408 40 0 EIABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000010542854 564017449 /nfs/dbraw/zinc/01/74/49/564017449.db2.gz OUGJIPRFLLEBAK-CHWSQXEVSA-N 1 0 343.298 4.091 40 0 EIABRO CC(C)Oc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010372008 564020523 /nfs/dbraw/zinc/02/05/23/564020523.db2.gz ZUGVKPHOGUYEKL-UHFFFAOYSA-N 1 0 338.451 4.322 40 0 EIABRO CC(C)(C)CC(C)(C)NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000224552405 564043097 /nfs/dbraw/zinc/04/30/97/564043097.db2.gz HBMAPCKNGLPYJG-UHFFFAOYSA-N 1 0 348.506 4.369 40 0 EIABRO S=C(NCc1cccc(C[NH+]2CCCCC2)c1)Nc1ccccc1 ZINC000224644204 564043374 /nfs/dbraw/zinc/04/33/74/564043374.db2.gz GUYDPYVCIKIQMN-UHFFFAOYSA-N 1 0 339.508 4.159 40 0 EIABRO Cc1ncc(-c2cccc([C@H]3CCC[N@@H+](C4CCCCC4)C3)n2)n1C ZINC000257311647 564055235 /nfs/dbraw/zinc/05/52/35/564055235.db2.gz UKLMQPNTXIPJBL-KRWDZBQOSA-N 1 0 338.499 4.303 40 0 EIABRO O=C(C[NH2+]Cc1cccs1)N1c2ccccc2CCc2ccccc21 ZINC000035311534 564081784 /nfs/dbraw/zinc/08/17/84/564081784.db2.gz DUDBGOYRPWBGKY-UHFFFAOYSA-N 1 0 348.471 4.301 40 0 EIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2c(F)cccc2F)CC1 ZINC000009062955 564127607 /nfs/dbraw/zinc/12/76/07/564127607.db2.gz KKSAQQBRKKYWJV-UHFFFAOYSA-N 1 0 344.405 4.124 40 0 EIABRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccccc1 ZINC000022531068 564128200 /nfs/dbraw/zinc/12/82/00/564128200.db2.gz JWXQADRPFBUSRO-ROUUACIJSA-N 1 0 336.479 4.410 40 0 EIABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2nc(C)n3ccccc23)C1 ZINC000019240681 202000620 /nfs/dbraw/zinc/00/06/20/202000620.db2.gz ZNVZFNPGXXYOCN-GOSISDBHSA-N 1 0 335.451 4.031 40 0 EIABRO Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCC[NH2+]3)n2)c1 ZINC000019294037 202003281 /nfs/dbraw/zinc/00/32/81/202003281.db2.gz XYYRSCADMYJTTE-KRWDZBQOSA-N 1 0 349.413 4.236 40 0 EIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N(C)Cc3ccccc3)cc2)C1 ZINC000020037762 202030676 /nfs/dbraw/zinc/03/06/76/202030676.db2.gz WRXZAWCBAHPXSJ-SFHVURJKSA-N 1 0 336.479 4.191 40 0 EIABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000022074802 202078671 /nfs/dbraw/zinc/07/86/71/202078671.db2.gz QXIFEMKKYSHHBY-INIZCTEOSA-N 1 0 340.250 4.215 40 0 EIABRO CCOc1cc(C[NH2+]CCc2ccccc2F)cc(Cl)c1OC ZINC000022074666 202078911 /nfs/dbraw/zinc/07/89/11/202078911.db2.gz FHFXMIJYEFZNSD-UHFFFAOYSA-N 1 0 337.822 4.219 40 0 EIABRO C[NH+]1CCC(C(=O)c2ncccc2CCc2cccc(Cl)c2)CC1 ZINC000022008606 202077115 /nfs/dbraw/zinc/07/71/15/202077115.db2.gz YBWTYYOASANXND-UHFFFAOYSA-N 1 0 342.870 4.045 40 0 EIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000039772197 202162875 /nfs/dbraw/zinc/16/28/75/202162875.db2.gz OUOFAGLGIUQVTD-UHFFFAOYSA-N 1 0 344.405 4.124 40 0 EIABRO Cc1nn(C)cc1C[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000036741270 202330241 /nfs/dbraw/zinc/33/02/41/202330241.db2.gz ODJYFLXIYYEEEG-UHFFFAOYSA-N 1 0 325.481 4.035 40 0 EIABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000037530285 202345044 /nfs/dbraw/zinc/34/50/44/202345044.db2.gz ZKGHLKYIPSVZNW-OJAHFUOMSA-N 1 0 325.537 4.089 40 0 EIABRO C[NH+](C)CCC[C@]1(O)c2ccccc2Sc2cc(Cl)ccc21 ZINC000001735135 201518509 /nfs/dbraw/zinc/51/85/09/201518509.db2.gz NVKBCYCHADJRMM-SFHVURJKSA-N 1 0 333.884 4.382 40 0 EIABRO Fc1cccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccccc4)no3)C2)c1F ZINC000072369837 203208873 /nfs/dbraw/zinc/20/88/73/203208873.db2.gz YOEJPHCJYCTMLQ-OAHLLOKOSA-N 1 0 341.361 4.004 40 0 EIABRO COc1cccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccccc4C)no3)C2)c1 ZINC000257268044 244365951 /nfs/dbraw/zinc/36/59/51/244365951.db2.gz MJZNYNQDGTVRDT-QGZVFWFLSA-N 1 0 349.434 4.043 40 0 EIABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)s1 ZINC000107728374 204245630 /nfs/dbraw/zinc/24/56/30/204245630.db2.gz UMZTVAXUZKMHBU-IEBWSBKVSA-N 1 0 346.471 4.041 40 0 EIABRO O=C(Nc1ccccc1)O[C@@H]1[C@@H]2CC[C@H]1CC[C@H]2[NH+]1CCCCC1 ZINC000004020915 205670614 /nfs/dbraw/zinc/67/06/14/205670614.db2.gz WALSPJVXZJWMIB-AITUJVMLSA-N 1 0 328.456 4.278 40 0 EIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000039761180 257855007 /nfs/dbraw/zinc/85/50/07/257855007.db2.gz JHTIXWAUINYHLZ-UHFFFAOYSA-N 1 0 328.500 4.046 40 0 EIABRO CCOCCC[NH2+]Cc1ccc(OCc2cccs2)c(OCC)c1 ZINC000008253187 257863258 /nfs/dbraw/zinc/86/32/58/257863258.db2.gz QAPSSNIKKIQVSO-UHFFFAOYSA-N 1 0 349.496 4.242 40 0 EIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(Cl)cc1 ZINC000225580589 564047970 /nfs/dbraw/zinc/04/79/70/564047970.db2.gz SQWRVABDZDBXQB-MRXNPFEDSA-N 1 0 339.936 4.281 40 0 EIABRO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)cc(Cl)c1OC ZINC000008253675 563624749 /nfs/dbraw/zinc/62/47/49/563624749.db2.gz DBYSOJXGHWCBBQ-UHFFFAOYSA-N 1 0 349.858 4.088 40 0 EIABRO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Br)c1OCC ZINC000008326636 563626915 /nfs/dbraw/zinc/62/69/15/563626915.db2.gz SMLJGOJRBRHGKL-NSHDSACASA-N 1 0 330.266 4.135 40 0 EIABRO C[C@@H](O)C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000008535096 563631946 /nfs/dbraw/zinc/63/19/46/563631946.db2.gz CDGOIMYJMMBEHS-GFCCVEGCSA-N 1 0 340.250 4.043 40 0 EIABRO Cc1cc2c(cc1C)OC1(C=C2)CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000012187994 563655389 /nfs/dbraw/zinc/65/53/89/563655389.db2.gz JTEUEPDPZVLPDL-OAQYLSRUSA-N 1 0 349.474 4.277 40 0 EIABRO CC(C)c1ccc(NC(=S)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000018168918 563850080 /nfs/dbraw/zinc/85/00/80/563850080.db2.gz CTADTVDQSAAOGT-UHFFFAOYSA-N 1 0 333.545 4.218 40 0 EIABRO O=C(Nc1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038833810 563922182 /nfs/dbraw/zinc/92/21/82/563922182.db2.gz XGQXFKQBXIEUOU-MRXNPFEDSA-N 1 0 328.843 4.191 40 0 EIABRO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000038856040 563922308 /nfs/dbraw/zinc/92/23/08/563922308.db2.gz IFZCKBLATFWZED-FQEVSTJZSA-N 1 0 336.479 4.463 40 0 EIABRO O=C(Nc1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038849292 563922377 /nfs/dbraw/zinc/92/23/77/563922377.db2.gz ZTQDZRSXUYUNCI-HNNXBMFYSA-N 1 0 346.833 4.330 40 0 EIABRO CC[C@@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccc(C)cc2)CC1 ZINC000585100667 563971433 /nfs/dbraw/zinc/97/14/33/563971433.db2.gz SEHFUANSXMCKPL-NQIIRXRSSA-N 1 0 328.500 4.141 40 0 EIABRO Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@@]2(CC[N@H+]2CC(C)C)C1 ZINC000585101867 563971490 /nfs/dbraw/zinc/97/14/90/563971490.db2.gz JLIALHQJFPDFIQ-OAQYLSRUSA-N 1 0 346.515 4.222 40 0 EIABRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)o1 ZINC000096051103 563978477 /nfs/dbraw/zinc/97/84/77/563978477.db2.gz XDAUHDIWFJJLQC-LJQANCHMSA-N 1 0 346.421 4.326 40 0 EIABRO Cc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)s1 ZINC000096050865 563978500 /nfs/dbraw/zinc/97/85/00/563978500.db2.gz SMAGSQOPVFRBNK-SFHVURJKSA-N 1 0 346.521 4.055 40 0 EIABRO c1coc(C[NH+]2CCC3(C[C@@H](c4cncnc4)c4ccccc43)CC2)c1 ZINC000096241590 563980517 /nfs/dbraw/zinc/98/05/17/563980517.db2.gz IMPHSASMWGPJHS-FQEVSTJZSA-N 1 0 345.446 4.139 40 0 EIABRO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1CC ZINC000072214814 563984928 /nfs/dbraw/zinc/98/49/28/563984928.db2.gz XATRQVLAGUSUDS-MRXNPFEDSA-N 1 0 333.476 4.390 40 0 EIABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[NH2+]1 ZINC000072215251 563985215 /nfs/dbraw/zinc/98/52/15/563985215.db2.gz JNIDWZWTACDBFO-GDBMZVCRSA-N 1 0 333.476 4.436 40 0 EIABRO Cc1ccc2c(c1)N(C(=O)C[NH2+]C1CCCCC1)C(C)(C)C=C2C ZINC000004896800 564005382 /nfs/dbraw/zinc/00/53/82/564005382.db2.gz SJDZSJFEYDEEBA-UHFFFAOYSA-N 1 0 326.484 4.446 40 0 EIABRO CCc1ccc([C@H]2Nc3cc(Cl)ccc3C3=[NH+]CCCN32)cc1 ZINC000004936853 564005505 /nfs/dbraw/zinc/00/55/05/564005505.db2.gz GCDJUTGELUPWRY-SFHVURJKSA-N 1 0 325.843 4.479 40 0 EIABRO C[n+]1ccc(/C=C/c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000004906687 564005586 /nfs/dbraw/zinc/00/55/86/564005586.db2.gz STRRJQZLZTUJGF-UHFFFAOYSA-N 1 0 326.423 4.080 40 0 EIABRO COc1c(C)cccc1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000005981846 564014374 /nfs/dbraw/zinc/01/43/74/564014374.db2.gz ZZIWPLYEKYTYJK-UHFFFAOYSA-N 1 0 338.451 4.242 40 0 EIABRO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1(c2ccccc2)CCCC1 ZINC000013465424 564020024 /nfs/dbraw/zinc/02/00/24/564020024.db2.gz TVSLBGTUONIWBK-QUCCMNQESA-N 1 0 341.495 4.306 40 0 EIABRO Cc1c2cccc(Cl)c2[nH]c1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000057775289 564035343 /nfs/dbraw/zinc/03/53/43/564035343.db2.gz TVGZDHQLBWNDFK-UHFFFAOYSA-N 1 0 347.890 4.124 40 0 EIABRO CC(C)Oc1cccc(NC(=S)NCCC[NH+]2CCCCCC2)c1 ZINC000225401009 564046427 /nfs/dbraw/zinc/04/64/27/564046427.db2.gz DKSBFTSLHVQKOG-UHFFFAOYSA-N 1 0 349.544 4.026 40 0 EIABRO CC(C)c1ccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260742658 564052483 /nfs/dbraw/zinc/05/24/83/564052483.db2.gz XXGCRVYCQDIJCF-INIZCTEOSA-N 1 0 333.545 4.218 40 0 EIABRO CC(C)Cc1ncc(-c2nccnc2[C@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000257299382 564055025 /nfs/dbraw/zinc/05/50/25/564055025.db2.gz RPVPXZLBWLACFG-HNNXBMFYSA-N 1 0 344.528 4.386 40 0 EIABRO Cc1ncc(-c2cc([C@@H]3CCC[N@@H+]3Cc3ccccc3)ccn2)n1C ZINC000257306758 564055160 /nfs/dbraw/zinc/05/51/60/564055160.db2.gz SVSOHKBQDHGNRY-FQEVSTJZSA-N 1 0 332.451 4.128 40 0 EIABRO Brc1ccccc1OCCCCC[NH2+]Cc1ccccn1 ZINC000261508126 564056201 /nfs/dbraw/zinc/05/62/01/564056201.db2.gz PXOXXHAZBNUNOE-UHFFFAOYSA-N 1 0 349.272 4.183 40 0 EIABRO c1coc(C[N@@H+]2Cc3ccccc3[C@H](c3nccn3CC3CC3)C2)c1 ZINC000306142982 564062390 /nfs/dbraw/zinc/06/23/90/564062390.db2.gz XPSICGNPZHVJLL-HXUWFJFHSA-N 1 0 333.435 4.034 40 0 EIABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000005043180 564070854 /nfs/dbraw/zinc/07/08/54/564070854.db2.gz YZZLWRCPCIMEHR-BOQPXBONSA-N 1 0 325.537 4.088 40 0 EIABRO CC(C)(C)Nc1nc(NCc2cccc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328957958 564070919 /nfs/dbraw/zinc/07/09/19/564070919.db2.gz AMXLBVRLCPUWNQ-UHFFFAOYSA-N 1 0 330.863 4.252 40 0 EIABRO CC[C@@H](C)Nc1nc(N2Cc3ccccc3C[C@@H]2C)cc(C(C)C)[nH+]1 ZINC000329065075 564072045 /nfs/dbraw/zinc/07/20/45/564072045.db2.gz XOVOEEILJICLSS-CVEARBPZSA-N 1 0 338.499 4.184 40 0 EIABRO C=C(NCCC[NH+](C)C)c1ccc(-c2cc(O)c3ncccc3c2)cc1 ZINC000584567154 564085900 /nfs/dbraw/zinc/08/59/00/564085900.db2.gz JIBPQZBRQXTUHR-UHFFFAOYSA-N 1 0 347.462 4.119 40 0 EIABRO Fc1ccc(CN2C[C@@H]3C[C@H](c4cccs4)[N@@H+]4CCC[C@]34C2)cc1 ZINC000247531831 564124487 /nfs/dbraw/zinc/12/44/87/564124487.db2.gz PACOWZUQYBZXCZ-HQRMLTQVSA-N 1 0 342.483 4.299 40 0 EIABRO O=C(NC1CCCCCCC1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063643 564127640 /nfs/dbraw/zinc/12/76/40/564127640.db2.gz CBRXKNKXZDJOGH-UHFFFAOYSA-N 1 0 346.490 4.267 40 0 EIABRO C[NH+](C)CCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008373876 201746675 /nfs/dbraw/zinc/74/66/75/201746675.db2.gz HFNBDZWQDLEUDF-UHFFFAOYSA-N 1 0 327.255 4.295 40 0 EIABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)cc1F ZINC000019346905 202006238 /nfs/dbraw/zinc/00/62/38/202006238.db2.gz RGAIAOHIKMADSY-HNNXBMFYSA-N 1 0 327.378 4.221 40 0 EIABRO C[N@H+](CCc1ccccc1)Cc1c2cccnc2[nH]c1[C@@H]1CCCO1 ZINC000019586211 202014233 /nfs/dbraw/zinc/01/42/33/202014233.db2.gz RCBHZACSLJCUJW-IBGZPJMESA-N 1 0 335.451 4.089 40 0 EIABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c(C)c1 ZINC000020487489 202045151 /nfs/dbraw/zinc/04/51/51/202045151.db2.gz OERDXXJLQUTKMI-SFHVURJKSA-N 1 0 336.479 4.390 40 0 EIABRO O[C@@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000031924498 202213523 /nfs/dbraw/zinc/21/35/23/202213523.db2.gz UXNCENBVWCDNFI-GOTSBHOMSA-N 1 0 345.442 4.105 40 0 EIABRO O=C1c2ccc3ccccc3c2CC[C@@H]1[C@H]1[NH2+]CCc2ccccc21 ZINC000031938400 202214653 /nfs/dbraw/zinc/21/46/53/202214653.db2.gz FIWNZTBJFYHZIL-YADHBBJMSA-N 1 0 327.427 4.472 40 0 EIABRO Fc1cccc(CN(Cc2cccc(F)c2)C[C@H]2CCCC[NH2+]2)c1 ZINC000072202944 216069677 /nfs/dbraw/zinc/06/96/77/216069677.db2.gz SCODIQXEPJBJLM-HXUWFJFHSA-N 1 0 330.422 4.109 40 0 EIABRO Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3ccccn3)c2)n1 ZINC000257209080 244144337 /nfs/dbraw/zinc/14/43/37/244144337.db2.gz BOWBHQIKLXEEHV-IBGZPJMESA-N 1 0 345.450 4.261 40 0 EIABRO COc1ccc(-c2noc([C@H]3CC[N@H+](Cc4ccc(C)cc4)C3)n2)cc1 ZINC000072369919 203209164 /nfs/dbraw/zinc/20/91/64/203209164.db2.gz QRJOOWAONKNQRP-SFHVURJKSA-N 1 0 349.434 4.043 40 0 EIABRO Cc1ccc(Nc2nccc([C@H]3CCC[N@@H+](C4CCCC4)C3)n2)nc1 ZINC000072377353 203209577 /nfs/dbraw/zinc/20/95/77/203209577.db2.gz OLPDDUAPMJNFPX-INIZCTEOSA-N 1 0 337.471 4.046 40 0 EIABRO OCc1ccc(-c2cccc([C@H]3CCC[N@@H+](C4CCCC4)C3)n2)cc1 ZINC000072348536 203203057 /nfs/dbraw/zinc/20/30/57/203203057.db2.gz JXQWRCSXFVGUIB-IBGZPJMESA-N 1 0 336.479 4.363 40 0 EIABRO Cc1ccsc1C[N@@H+]1CCC[C@@H]1c1cccc(-n2ccnc2C)n1 ZINC000072355472 203204877 /nfs/dbraw/zinc/20/48/77/203204877.db2.gz SESCTURNPVEFMW-QGZVFWFLSA-N 1 0 338.480 4.283 40 0 EIABRO c1ccc(Cc2cccc([C@@H]3CCC[N@H+]3Cc3ccncc3)n2)cc1 ZINC000072357661 203205407 /nfs/dbraw/zinc/20/54/07/203205407.db2.gz CVEBUJDHOBIECQ-QFIPXVFZSA-N 1 0 329.447 4.405 40 0 EIABRO COc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3ccccc3C)C2)o1 ZINC000049170055 204369000 /nfs/dbraw/zinc/36/90/00/204369000.db2.gz GRZHXJHMKCVBGG-KRWDZBQOSA-N 1 0 349.434 4.043 40 0 biogenic,in-vitro EIABRO Cc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4cccs4)C3)o2)cc1 ZINC000049169955 204369095 /nfs/dbraw/zinc/36/90/95/204369095.db2.gz OMLJFDCOZBMBMR-HNNXBMFYSA-N 1 0 325.437 4.096 40 0 biogenic,in-vitro EIABRO CCC[n+]1cccc(-c2nc3ccc(Br)cc3s2)c1 ZINC000226776747 205152302 /nfs/dbraw/zinc/15/23/02/205152302.db2.gz SXRCPCOOMHNWNY-UHFFFAOYSA-N 1 0 334.262 4.423 40 0 EIABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2Cl)CC1 ZINC000100809341 206255996 /nfs/dbraw/zinc/25/59/96/206255996.db2.gz GJARMCQNWKHIMO-GASCZTMLSA-N 1 0 338.879 4.266 40 0 EIABRO O=C(/C=C/c1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447520 210802727 /nfs/dbraw/zinc/80/27/27/210802727.db2.gz HTQSIIMYOPWNSI-BUHFOSPRSA-N 1 0 334.463 4.002 40 0 EIABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1N1CCc2ccccc2C1 ZINC000072222855 257686763 /nfs/dbraw/zinc/68/67/63/257686763.db2.gz HSKLABVNZBJSDT-OAQYLSRUSA-N 1 0 329.447 4.001 40 0 EIABRO O=C(Nc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039767549 257854793 /nfs/dbraw/zinc/85/47/93/257854793.db2.gz IPKWPUFCIURMQN-UHFFFAOYSA-N 1 0 346.833 4.330 40 0 EIABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000010542860 257860455 /nfs/dbraw/zinc/86/04/55/257860455.db2.gz SAFCROCOINQTEZ-IAGOWNOFSA-N 1 0 330.516 4.082 40 0 EIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC000009063107 257862506 /nfs/dbraw/zinc/86/25/06/257862506.db2.gz SKUQNNXLQBGIEK-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO CCc1ccccc1Nc1nc([C@@H]2CCC[NH2+]C2)c2sccn12 ZINC000257267821 535964673 /nfs/dbraw/zinc/96/46/73/535964673.db2.gz MIXCZGUVQBEPSG-CQSZACIVSA-N 1 0 326.469 4.169 40 0 EIABRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012169837 563950090 /nfs/dbraw/zinc/95/00/90/563950090.db2.gz ZKGHLKYIPSVZNW-MDNKFWRPSA-N 1 0 325.537 4.089 40 0 EIABRO CC(C)(C)c1cc([C@H](O)CCC2CC[NH2+]CC2)c2ccccc2n1 ZINC000000000684 563211330 /nfs/dbraw/zinc/21/13/30/563211330.db2.gz OPNPUTUBENWDBA-LJQANCHMSA-N 1 0 326.484 4.346 40 0 in-man EIABRO CC[NH+](CC)CCCNc1c2cccc(OC)c2nc2c1CCCC2 ZINC000001677546 563402411 /nfs/dbraw/zinc/40/24/11/563402411.db2.gz XKGDYHXFSDSXLF-UHFFFAOYSA-N 1 0 341.499 4.266 40 0 EIABRO C[C@H]1CCCC[N@@H+]1CCCOC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002026565 563418298 /nfs/dbraw/zinc/41/82/98/563418298.db2.gz BZGLBXYQOMFXAU-LBPRGKRZSA-N 1 0 330.255 4.415 40 0 in-vitro EIABRO C[C@@H]1C[NH+](CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C[C@H]1C ZINC000004411209 563502473 /nfs/dbraw/zinc/50/24/73/563502473.db2.gz CZDWKRSKCXMEKV-QCFAMHMHSA-N 1 0 341.495 4.258 40 0 EIABRO C[C@@H]1OC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)[N@@H+]3C)[C@H]21 ZINC000004430039 563502861 /nfs/dbraw/zinc/50/28/61/563502861.db2.gz FMPNFDSPHNUFOS-KSGZAJEQSA-N 1 0 345.527 4.419 40 0 EIABRO CCCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1Cl)C2 ZINC000004888123 563514549 /nfs/dbraw/zinc/51/45/49/563514549.db2.gz WHUWNAZQBGNWBT-MQVJKMGUSA-N 1 0 334.891 4.255 40 0 EIABRO CCc1ccccc1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004904697 563515081 /nfs/dbraw/zinc/51/50/81/563515081.db2.gz IXZUJIAGOUKCKI-UHFFFAOYSA-N 1 0 336.479 4.142 40 0 EIABRO O[C@@H]1c2c(ccc3ccccc32)CC[C@@H]1[C@H]1[NH2+]CCc2ccccc21 ZINC000004913990 563515587 /nfs/dbraw/zinc/51/55/87/563515587.db2.gz NXHJGRJQTMOMRC-PUHATCMVSA-N 1 0 329.443 4.323 40 0 EIABRO O=C(Nc1cccc(F)c1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCC1 ZINC000035310750 563558689 /nfs/dbraw/zinc/55/86/89/563558689.db2.gz NEIOPHBHODUDID-JLYLLQBASA-N 1 0 345.462 4.275 40 0 EIABRO c1cc2c3c(cccc3c1)-c1nc(SCC[NH+]3CCCCC3)nnc1-2 ZINC000035314950 563559525 /nfs/dbraw/zinc/55/95/25/563559525.db2.gz NSOYOICCNLVIHI-UHFFFAOYSA-N 1 0 348.475 4.250 40 0 EIABRO CCOCCC[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000008253214 563624692 /nfs/dbraw/zinc/62/46/92/563624692.db2.gz ABKKZSZEVWSSSA-UHFFFAOYSA-N 1 0 333.859 4.435 40 0 EIABRO CC1CC[NH+](CCCNC(=O)CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000013670451 563708912 /nfs/dbraw/zinc/70/89/12/563708912.db2.gz KEFFSRPQPHXCQC-UHFFFAOYSA-N 1 0 344.543 4.155 40 0 EIABRO CC[C@H]1COCC[N@@H+]1CCCc1ccc(COc2ccccc2)cc1 ZINC000038361136 563921779 /nfs/dbraw/zinc/92/17/79/563921779.db2.gz ADAPUGNVJGEFRO-NRFANRHFSA-N 1 0 339.479 4.309 40 0 EIABRO O=C(NC1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038832546 563922200 /nfs/dbraw/zinc/92/22/00/563922200.db2.gz IMBGNGGONMQNRO-MRXNPFEDSA-N 1 0 334.891 4.001 40 0 EIABRO Cc1cc(C)cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038833541 563922210 /nfs/dbraw/zinc/92/22/10/563922210.db2.gz GNKJQNLOIZJVQN-SFHVURJKSA-N 1 0 340.442 4.293 40 0 EIABRO Fc1ccc(C[N@H+](CCCn2ccnc2)Cc2cccc(F)c2)cc1 ZINC000043277666 563925462 /nfs/dbraw/zinc/92/54/62/563925462.db2.gz OVBIMOVYHOMCDT-UHFFFAOYSA-N 1 0 341.405 4.254 40 0 EIABRO O[C@H]1CCCC[C@@H]2[C@H]1[C@@H](c1cccc(F)c1)C[N@@H+]2Cc1ccccc1 ZINC000095951702 563977845 /nfs/dbraw/zinc/97/78/45/563977845.db2.gz SETGIDMDBVUFBQ-YUMYIRISSA-N 1 0 339.454 4.345 40 0 EIABRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 ZINC000096058322 563978807 /nfs/dbraw/zinc/97/88/07/563978807.db2.gz BRHNIJMHHONVSZ-FKBYEOEOSA-N 1 0 338.470 4.436 40 0 EIABRO Cc1cccc(O[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccc3C)[C@H]2O)c1 ZINC000585290031 563982015 /nfs/dbraw/zinc/98/20/15/563982015.db2.gz ZGBULYNNIWFLFR-BHDDXSALSA-N 1 0 339.479 4.096 40 0 EIABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214519 563984807 /nfs/dbraw/zinc/98/48/07/563984807.db2.gz WKYPAAKYRJTRRY-INIZCTEOSA-N 1 0 333.476 4.388 40 0 EIABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[NH2+]1 ZINC000072215249 563985102 /nfs/dbraw/zinc/98/51/02/563985102.db2.gz JNIDWZWTACDBFO-ZBFHGGJFSA-N 1 0 333.476 4.436 40 0 EIABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1C ZINC000072215201 563985150 /nfs/dbraw/zinc/98/51/50/563985150.db2.gz DSBYWWZDGQDTFM-GDBMZVCRSA-N 1 0 333.476 4.388 40 0 EIABRO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCC[NH2+]2)cn1)C1CCCC1 ZINC000072215544 563985314 /nfs/dbraw/zinc/98/53/14/563985314.db2.gz FFOSLGZVQSGEDC-INIZCTEOSA-N 1 0 331.460 4.190 40 0 EIABRO C[C@@H]1[C@H]2CC[C@H]3[C@@H]4CC(=O)[C@]56C[C@H]5CC[C@]6(C)[C@H]4CC[C@]23C[N@@H+]1C ZINC000118936471 563992529 /nfs/dbraw/zinc/99/25/29/563992529.db2.gz PBPLSRQRDBOFMK-RVLWNLAOSA-N 1 0 327.512 4.138 40 0 EIABRO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000004882259 564005481 /nfs/dbraw/zinc/00/54/81/564005481.db2.gz JSCHDMDXTYLNBN-AYHJJNSGSA-N 1 0 330.472 4.097 40 0 EIABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccccc3)o2)cc1 ZINC000007519657 564015585 /nfs/dbraw/zinc/01/55/85/564015585.db2.gz FHMYRWBDJKWMNW-UHFFFAOYSA-N 1 0 335.403 4.413 40 0 EIABRO COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccc(F)cc3)o2)cc1 ZINC000007539112 564015610 /nfs/dbraw/zinc/01/56/10/564015610.db2.gz VWYCSEOVMOLBRH-UHFFFAOYSA-N 1 0 339.366 4.162 40 0 EIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)c1 ZINC000009063066 564016550 /nfs/dbraw/zinc/01/65/50/564016550.db2.gz QHKUNQAVOIJHEQ-UHFFFAOYSA-N 1 0 344.405 4.124 40 0 EIABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000009063270 564016594 /nfs/dbraw/zinc/01/65/94/564016594.db2.gz XKXAIZGKGZDJJU-UHFFFAOYSA-N 1 0 342.870 4.499 40 0 EIABRO O=C(Nc1ccccc1F)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063393 564016634 /nfs/dbraw/zinc/01/66/34/564016634.db2.gz JTPFQEKFBDGJFY-UHFFFAOYSA-N 1 0 346.833 4.330 40 0 EIABRO Cc1ccc(C[N@H+](Cc2cccc(OC(C)C)c2)C[C@@H](C)O)s1 ZINC000013991960 564020840 /nfs/dbraw/zinc/02/08/40/564020840.db2.gz XZJAAVSBPOXRAN-OAHLLOKOSA-N 1 0 333.497 4.227 40 0 EIABRO O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000224915461 564043939 /nfs/dbraw/zinc/04/39/39/564043939.db2.gz VCNWFWKVDVXMLY-UHFFFAOYSA-N 1 0 349.478 4.135 40 0 EIABRO c1nc(Nc2cccc(C3CC[NH2+]CC3)n2)sc1-c1ccccc1 ZINC000585263258 564052762 /nfs/dbraw/zinc/05/27/62/564052762.db2.gz SOBMMZJGOODHHA-UHFFFAOYSA-N 1 0 336.464 4.416 40 0 EIABRO c1nc(Nc2cccc([C@H]3CCC[NH2+]C3)n2)sc1-c1ccccc1 ZINC000585263121 564052766 /nfs/dbraw/zinc/05/27/66/564052766.db2.gz MQRORSLTCHQJHZ-HNNXBMFYSA-N 1 0 336.464 4.416 40 0 EIABRO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000027533972 564063366 /nfs/dbraw/zinc/06/33/66/564063366.db2.gz SDEPULSXAHNYTN-IGDKPHCXSA-N 1 0 337.548 4.137 40 0 EIABRO Cc1cc(N2Cc3ccccc3C[C@H]2C)nc(NC2CCCCC2)[nH+]1 ZINC000328977890 564071147 /nfs/dbraw/zinc/07/11/47/564071147.db2.gz FWSNYFGLBKWLSV-MRXNPFEDSA-N 1 0 336.483 4.481 40 0 EIABRO C[NH+](C)C[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000001670744 564099031 /nfs/dbraw/zinc/09/90/31/564099031.db2.gz RVEVXAOGITYJOC-JOCHJYFZSA-N 1 0 331.459 4.268 40 0 EIABRO c1csc(CN2C[C@@H]3C[C@@H](c4cccs4)[N@@H+]4CCC[C@]34C2)c1 ZINC000253588855 564124684 /nfs/dbraw/zinc/12/46/84/564124684.db2.gz VZCGSGGZCDERBK-ZVZYQTTQSA-N 1 0 330.522 4.221 40 0 EIABRO Fc1ccc([C@@H]2C[C@H]3C[N@H+](Cc4cccs4)C[C@@]34CCCN24)cc1 ZINC000019343374 564127960 /nfs/dbraw/zinc/12/79/60/564127960.db2.gz KYELLYOWCJKDFN-VDGAXYAQSA-N 1 0 342.483 4.299 40 0 EIABRO CC[C@H](C)Oc1c(C)cc(-c2noc([C@@H]3CCCC[NH2+]3)n2)cc1C ZINC000095095406 564139095 /nfs/dbraw/zinc/13/90/95/564139095.db2.gz IRVKKEOAJDSQOD-HOCLYGCPSA-N 1 0 329.444 4.345 40 0 EIABRO CCCCOc1c(C)cc(-c2noc([C@H]3CCCC[NH2+]3)n2)cc1C ZINC000095095404 564139110 /nfs/dbraw/zinc/13/91/10/564139110.db2.gz PCFDAUYVSQNTJM-MRXNPFEDSA-N 1 0 329.444 4.347 40 0 EIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000009062873 1023277004 /nfs/dbraw/zinc/27/70/04/1023277004.db2.gz MRZXMUQJYLOMTF-UHFFFAOYSA-N 1 0 342.870 4.499 40 0 EIABRO CC[C@H](C)C[C@H](C)/C=C/CC[C@H](O)[C@H](Cc1ccc(O)cc1)[NH2+]C ZINC000066065959 215005619 /nfs/dbraw/zinc/00/56/19/215005619.db2.gz RNCWKUCWPBNWOH-RFHGFXIBSA-N 1 0 333.516 4.292 40 0 biogenic,in-vitro EIABRO CC1CC[NH+](Cc2ccc(C(=O)N(C)C3CCCCC3)cc2)CC1 ZINC000044940392 213681182 /nfs/dbraw/zinc/68/11/82/213681182.db2.gz INDUBDSJPQXMDH-UHFFFAOYSA-N 1 0 328.500 4.323 40 0 EIABRO Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000001370447 209730793 /nfs/dbraw/zinc/73/07/93/209730793.db2.gz XPZSKTMTRDBTQE-FRIKZZABSA-N 1 0 348.490 4.311 40 0 EIABRO Cc1ccccc1CNC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038848740 213228676 /nfs/dbraw/zinc/22/86/76/213228676.db2.gz YWZOMFWKKVKMET-UHFFFAOYSA-N 1 0 336.479 4.301 40 0 EIABRO O=C(Nc1ccccc1Cl)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038833744 213228408 /nfs/dbraw/zinc/22/84/08/213228408.db2.gz UOUMEQLIVVJURM-INIZCTEOSA-N 1 0 328.843 4.191 40 0 EIABRO Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000038848788 213228433 /nfs/dbraw/zinc/22/84/33/213228433.db2.gz ZUGFRIJAURVNEE-UHFFFAOYSA-N 1 0 336.479 4.301 40 0 EIABRO Cc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038849548 213228003 /nfs/dbraw/zinc/22/80/03/213228003.db2.gz PTCDCJVWLFQDQH-KRWDZBQOSA-N 1 0 342.870 4.499 40 0 EIABRO Cc1ccc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038833412 213226505 /nfs/dbraw/zinc/22/65/05/213226505.db2.gz INLNIIQXSMLIFR-GOSISDBHSA-N 1 0 340.442 4.293 40 0 EIABRO Cc1cccc(-c2cncc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072359427 216165983 /nfs/dbraw/zinc/16/59/83/216165983.db2.gz GGCQLRLORIEJRY-IBGZPJMESA-N 1 0 344.462 4.227 40 0 EIABRO Fc1cccc(-c2cncc(C3CC[NH+](Cc4ccccn4)CC3)n2)c1 ZINC000072359428 216166090 /nfs/dbraw/zinc/16/60/90/216166090.db2.gz CKRJUQSCQLOMKG-UHFFFAOYSA-N 1 0 348.425 4.057 40 0 EIABRO Fc1ccccc1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072358611 216166304 /nfs/dbraw/zinc/16/63/04/216166304.db2.gz UMFGJIORRXRAQL-MRXNPFEDSA-N 1 0 348.425 4.057 40 0 EIABRO c1ccc(Cc2cccc([C@H]3CCC[N@H+]3Cc3ccccn3)n2)cc1 ZINC000072357708 216163349 /nfs/dbraw/zinc/16/33/49/216163349.db2.gz WKPNGPLWAKDVLD-JOCHJYFZSA-N 1 0 329.447 4.405 40 0 EIABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4ccc(C)cc4)C3)n2)c1 ZINC000072369865 216177167 /nfs/dbraw/zinc/17/71/67/216177167.db2.gz DHDWGTMSHGPINJ-SFHVURJKSA-N 1 0 349.434 4.043 40 0 EIABRO CCc1nccn1-c1cccc(C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000072378711 216180625 /nfs/dbraw/zinc/18/06/25/216180625.db2.gz QVEPNRHNASJIJF-UHFFFAOYSA-N 1 0 338.499 4.342 40 0 EIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cc(C)sc1C)Cc1cccnc1 ZINC000022931854 212335968 /nfs/dbraw/zinc/33/59/68/212335968.db2.gz CNQCVZKWTORICY-FQEVSTJZSA-N 1 0 343.540 4.246 40 0 EIABRO COc1ccc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2OC)cc1 ZINC000022074756 212275816 /nfs/dbraw/zinc/27/58/16/212275816.db2.gz DBDRDPNMXXEMAD-UHFFFAOYSA-N 1 0 340.250 4.343 40 0 EIABRO CCc1cc(Br)cc2cc([C@@H](O)C[NH2+]C(C)(C)C)oc21 ZINC000022053005 212273748 /nfs/dbraw/zinc/27/37/48/212273748.db2.gz MXKMWLFIQAWNMD-ZDUSSCGKSA-N 1 0 340.261 4.179 40 0 EIABRO O=C1CC2(CC[NH+](Cc3ccccc3)CC2)Oc2cc(Cl)ccc21 ZINC000225826404 242055346 /nfs/dbraw/zinc/05/53/46/242055346.db2.gz XGAQKNQVEQMKNZ-UHFFFAOYSA-N 1 0 341.838 4.340 40 0 EIABRO Cc1ccc(N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C ZINC000225902002 242076264 /nfs/dbraw/zinc/07/62/64/242076264.db2.gz BPZWXZCHBROEQK-HXUWFJFHSA-N 1 0 336.479 4.178 40 0 EIABRO CCC[n+]1cc(Br)cc(-c2nc3ccccc3s2)c1 ZINC000226774265 242114372 /nfs/dbraw/zinc/11/43/72/242114372.db2.gz DAVQNDVWZXXMQE-UHFFFAOYSA-N 1 0 334.262 4.423 40 0 EIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N(C)Cc3ccccc3)cc2)C1 ZINC000020037758 212096078 /nfs/dbraw/zinc/09/60/78/212096078.db2.gz WRXZAWCBAHPXSJ-GOSISDBHSA-N 1 0 336.479 4.191 40 0 EIABRO C[C@@H](Cn1cncc1-c1cnn(C2CCCCC2)c1)[NH+]1CCCCC1 ZINC000019719929 212057678 /nfs/dbraw/zinc/05/76/78/212057678.db2.gz RRGLMRKLLFIOJU-KRWDZBQOSA-N 1 0 341.503 4.126 40 0 EIABRO C[NH+](C)CCN(Cc1cccs1)Cc1ccc(C(F)(F)F)cc1 ZINC000019582546 212047355 /nfs/dbraw/zinc/04/73/55/212047355.db2.gz CIRAPKJYOCQOMN-UHFFFAOYSA-N 1 0 342.430 4.331 40 0 EIABRO Clc1ccccc1C[N@@H+]1CC[C@@H](c2nc(-c3cccs3)no2)C1 ZINC000019348834 212019243 /nfs/dbraw/zinc/01/92/43/212019243.db2.gz QXEGMPFEMDUOAO-CYBMUJFWSA-N 1 0 345.855 4.441 40 0 EIABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cc1F ZINC000019346903 212019332 /nfs/dbraw/zinc/01/93/32/212019332.db2.gz RGAIAOHIKMADSY-OAHLLOKOSA-N 1 0 327.378 4.221 40 0 EIABRO Fc1ccc([C@H]2C[NH2+][C@@H]3CCCN(Cc4ccccc4Cl)[C@@H]32)cc1 ZINC000019349127 212019429 /nfs/dbraw/zinc/01/94/29/212019429.db2.gz KZXLQTLGMBGUHS-MISYRCLQSA-N 1 0 344.861 4.199 40 0 EIABRO Fc1cccc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1F ZINC000019292732 212012608 /nfs/dbraw/zinc/01/26/08/212012608.db2.gz HTAVIZFGEJCARW-AWEZNQCLSA-N 1 0 327.378 4.221 40 0 EIABRO CC[N@H+](Cc1c2cccnc2[nH]c1-c1ccco1)Cc1ccncc1 ZINC000012222124 211324128 /nfs/dbraw/zinc/32/41/28/211324128.db2.gz NTYKXMIZGWFDBP-UHFFFAOYSA-N 1 0 332.407 4.240 40 0 EIABRO C[C@H](C[N@H+]1C[C@@H](c2ccccc2)[C@H](c2cc[nH]n2)C1)c1ccccc1 ZINC000012128713 211299601 /nfs/dbraw/zinc/29/96/01/211299601.db2.gz JRHKZMXWUDPRFR-JRGCBEDISA-N 1 0 331.463 4.396 40 0 EIABRO O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000012119140 211298137 /nfs/dbraw/zinc/29/81/37/211298137.db2.gz USIPUYJQPLLCOB-INIZCTEOSA-N 1 0 342.826 4.085 40 0 EIABRO CC[C@@H](C)Oc1c(C)cc(-c2noc([C@@H]3CCCC[NH2+]3)n2)cc1C ZINC000095095405 218280691 /nfs/dbraw/zinc/28/06/91/218280691.db2.gz IRVKKEOAJDSQOD-ZBFHGGJFSA-N 1 0 329.444 4.345 40 0 EIABRO C=C(c1ccccc1)[n+]1cc(Br)cc(Br)c1 ZINC000005382713 210453463 /nfs/dbraw/zinc/45/34/63/210453463.db2.gz NWUVSKJWUKLPEN-UHFFFAOYSA-N 1 0 340.038 4.018 40 0 EIABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000005043173 210372664 /nfs/dbraw/zinc/37/26/64/210372664.db2.gz YZZLWRCPCIMEHR-VTYCOLDWSA-N 1 0 325.537 4.088 40 0 EIABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCCC1)c1ccccc1F ZINC000004887786 210313427 /nfs/dbraw/zinc/31/34/27/210313427.db2.gz CVQZLJDIYUFKRF-ZNXRZULTSA-N 1 0 344.474 4.274 40 0 EIABRO COc1ccc(N(CC(=O)c2ccccc2)C2=NCCCCC2)cc1 ZINC000007275551 258012452 /nfs/dbraw/zinc/01/24/52/258012452.db2.gz BRWVINNARQOCEU-UHFFFAOYSA-N 1 0 336.435 4.357 40 0 EIABRO Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c2nc[nH+]c3NN)cc1 ZINC000001642242 563398837 /nfs/dbraw/zinc/39/88/37/563398837.db2.gz UEMNOEQOZQKKOV-UHFFFAOYSA-N 1 0 349.825 4.335 40 0 EIABRO COc1cc(NCCCCC[NH2+]C(C)C)c2ncc(C)c(C)c2c1 ZINC000001666876 563400991 /nfs/dbraw/zinc/40/09/91/563400991.db2.gz UREXMPQEHVOXIV-UHFFFAOYSA-N 1 0 329.488 4.440 40 0 EIABRO CC[NH+](CC)CCOCCCNc1ccnc2cc(Cl)ccc21 ZINC000001687503 563403325 /nfs/dbraw/zinc/40/33/25/563403325.db2.gz CMVKLWJIEFMQAR-UHFFFAOYSA-N 1 0 335.879 4.049 40 0 EIABRO CCC[C@@H](C)[NH2+]CCOC(=O)C(c1ccccc1)c1ccccc1 ZINC000001710568 563406192 /nfs/dbraw/zinc/40/61/92/563406192.db2.gz LMRLNVZVYRGSIX-QGZVFWFLSA-N 1 0 325.452 4.140 40 0 EIABRO O=C(/C=C/c1ccccc1)OCc1ccccc1C[NH+]1CCCCC1 ZINC000001716144 563406448 /nfs/dbraw/zinc/40/64/48/563406448.db2.gz AISXUVWCCTZFRV-BUHFOSPRSA-N 1 0 335.447 4.429 40 0 EIABRO CCCCN(C(=O)c1ccc(Cl)cc1)C1=C[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000002024813 563418309 /nfs/dbraw/zinc/41/83/09/563418309.db2.gz FETLJBXPGXXLIH-DLBZAZTESA-N 1 0 332.875 4.333 40 0 EIABRO C=C[NH2+]CCc1nc2ccccc2n1CCOc1cccc(C)c1C ZINC000005235853 563523948 /nfs/dbraw/zinc/52/39/48/563523948.db2.gz HLVMVCFFDDUKNW-UHFFFAOYSA-N 1 0 335.451 4.008 40 0 EIABRO C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@@H+]2CCC(=O)c1ccccc1 ZINC000005495711 563534972 /nfs/dbraw/zinc/53/49/72/563534972.db2.gz CGZUGJGJUVSIIS-POCHDABASA-N 1 0 349.474 4.189 40 0 EIABRO CC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000008227231 563623872 /nfs/dbraw/zinc/62/38/72/563623872.db2.gz BDWPCNDNGHHPND-UHFFFAOYSA-N 1 0 338.220 4.277 40 0 EIABRO CCOc1c(Br)cc(C[NH2+]C2CCCCC2)cc1OC ZINC000008253333 563624668 /nfs/dbraw/zinc/62/46/68/563624668.db2.gz NBOHMJUDSXMBTB-UHFFFAOYSA-N 1 0 342.277 4.279 40 0 EIABRO CCOc1cc(C[NH2+]CCOC)cc(Cl)c1OCc1ccccc1 ZINC000008254070 563624742 /nfs/dbraw/zinc/62/47/42/563624742.db2.gz QROBAJUVWCWWCC-UHFFFAOYSA-N 1 0 349.858 4.054 40 0 EIABRO CC[C@@H](CO)[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000008326252 563626833 /nfs/dbraw/zinc/62/68/33/563626833.db2.gz XRVQDIGYBPVKFV-IBGZPJMESA-N 1 0 335.447 4.279 40 0 EIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCC2=CCCCC2)CC1 ZINC000039755771 563900621 /nfs/dbraw/zinc/90/06/21/563900621.db2.gz IACPLNQFADUKFX-UHFFFAOYSA-N 1 0 340.511 4.214 40 0 EIABRO COc1cccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000030753767 563910499 /nfs/dbraw/zinc/91/04/99/563910499.db2.gz BVCQBLYMMKPEEU-UHFFFAOYSA-N 1 0 338.451 4.179 40 0 EIABRO O=C1c2ccc3ccccc3c2CC[C@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000031938399 563913174 /nfs/dbraw/zinc/91/31/74/563913174.db2.gz FIWNZTBJFYHZIL-FCHUYYIVSA-N 1 0 327.427 4.472 40 0 EIABRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000060320513 563926064 /nfs/dbraw/zinc/92/60/64/563926064.db2.gz TVEYLYIJXLQIPV-UHFFFAOYSA-N 1 0 338.879 4.077 40 0 EIABRO c1cc(COC2CCCCC2)ccc1CCCC[NH+]1CCOCC1 ZINC000068606146 563963301 /nfs/dbraw/zinc/96/33/01/563963301.db2.gz FIMCOGIEWUPHJV-UHFFFAOYSA-N 1 0 331.500 4.191 40 0 EIABRO C[C@@H]1CCC[C@H](C)[N@H+]1CCC[C@@](O)(c1ccccc1)c1ccccn1 ZINC000000000642 563966931 /nfs/dbraw/zinc/96/69/31/563966931.db2.gz APUDBKTWDCXQJA-XQBPLPMBSA-N 1 0 338.495 4.361 40 0 world EIABRO O=C1N(CC2CCCCC2)C[C@@]12CCC[N@H+](CC1CCCCC1)C2 ZINC000585099277 563971418 /nfs/dbraw/zinc/97/14/18/563971418.db2.gz APHIVMCJUTVAPO-NRFANRHFSA-N 1 0 332.532 4.071 40 0 EIABRO c1cn2c(cccc2[C@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000585182555 563975105 /nfs/dbraw/zinc/97/51/05/563975105.db2.gz NZDLJHHBLWIFOV-KRWDZBQOSA-N 1 0 330.435 4.195 40 0 EIABRO c1csc(CN2CCC3(CC2)CC[NH+](Cc2ccsc2)CC3)n1 ZINC000096047213 563978202 /nfs/dbraw/zinc/97/82/02/563978202.db2.gz WTRRWTYDPHVQHZ-UHFFFAOYSA-N 1 0 347.553 4.083 40 0 EIABRO Cc1ccc(C[N@@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)o1 ZINC000096061588 563978984 /nfs/dbraw/zinc/97/89/84/563978984.db2.gz XIKDOIIOTYQHOE-LEWJYISDSA-N 1 0 325.452 4.200 40 0 EIABRO Cc1ccccc1C[N@@H+]1CCC[C@@]12CCN(C(=O)Nc1ccccc1)C2 ZINC000096071096 563978987 /nfs/dbraw/zinc/97/89/87/563978987.db2.gz NJCSHUZDXFILMT-QFIPXVFZSA-N 1 0 349.478 4.267 40 0 EIABRO Cc1cnc(Nc2cccc(C3CC[NH+](CC(C)C)CC3)n2)s1 ZINC000585262645 563980827 /nfs/dbraw/zinc/98/08/27/563980827.db2.gz NWMQYYNEEQONGV-UHFFFAOYSA-N 1 0 330.501 4.426 40 0 EIABRO Cc1cc(Nc2ncc(-c3ccccc3)s2)nc([C@H]2CCC[NH2+]2)n1 ZINC000585262868 563980895 /nfs/dbraw/zinc/98/08/95/563980895.db2.gz BGNHTUCHSFWGJO-CQSZACIVSA-N 1 0 337.452 4.077 40 0 EIABRO Cc1ccc(OCC2(O)CC[NH+](C3CCC(C)(C)CC3)CC2)c(C)c1 ZINC000585280776 563981773 /nfs/dbraw/zinc/98/17/73/563981773.db2.gz AOQXQHATNDVEJH-UHFFFAOYSA-N 1 0 345.527 4.478 40 0 EIABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]Cc3ccc(Cl)cc3)cc12 ZINC000013998572 563982550 /nfs/dbraw/zinc/98/25/50/563982550.db2.gz YHFISEQVONCOSN-UHFFFAOYSA-N 1 0 326.827 4.088 40 0 EIABRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CCCC3)C2)o1 ZINC000107752084 563984143 /nfs/dbraw/zinc/98/41/43/563984143.db2.gz WRVXBSFJSCWAGD-SFTDATJTSA-N 1 0 347.499 4.166 40 0 EIABRO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1CC ZINC000072214815 563984991 /nfs/dbraw/zinc/98/49/91/563984991.db2.gz XATRQVLAGUSUDS-INIZCTEOSA-N 1 0 333.476 4.390 40 0 EIABRO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072214872 563984999 /nfs/dbraw/zinc/98/49/99/563984999.db2.gz GAOZPRPCRNBWMK-INIZCTEOSA-N 1 0 333.476 4.388 40 0 EIABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2C)cn1 ZINC000072215087 563985046 /nfs/dbraw/zinc/98/50/46/563985046.db2.gz CLQMIJQJGWZDMN-ZBFHGGJFSA-N 1 0 333.476 4.388 40 0 EIABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1C ZINC000072215199 563985110 /nfs/dbraw/zinc/98/51/10/563985110.db2.gz DSBYWWZDGQDTFM-ZBFHGGJFSA-N 1 0 333.476 4.388 40 0 EIABRO Cc1ccsc1C[N@H+](CCCO)Cc1ccc(C(F)(F)F)cc1 ZINC000013997338 564020852 /nfs/dbraw/zinc/02/08/52/564020852.db2.gz SQEBDSCRZBNMNQ-UHFFFAOYSA-N 1 0 343.414 4.460 40 0 EIABRO Cc1ccc2cc(C[NH2+]CCc3ccccc3Cl)c(=O)[nH]c2c1C ZINC000013998811 564020864 /nfs/dbraw/zinc/02/08/64/564020864.db2.gz RXSDEJWZTOEEKY-UHFFFAOYSA-N 1 0 340.854 4.131 40 0 EIABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)CCC2 ZINC000223193488 564039191 /nfs/dbraw/zinc/03/91/91/564039191.db2.gz CTNWYRWEOGOLLC-KRWDZBQOSA-N 1 0 348.490 4.262 40 0 EIABRO Cc1ccc(/C=C/C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224807850 564043765 /nfs/dbraw/zinc/04/37/65/564043765.db2.gz FEMNUMWZTKKBPL-BUHFOSPRSA-N 1 0 348.490 4.311 40 0 EIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccccc1Cl ZINC000225580477 564048008 /nfs/dbraw/zinc/04/80/08/564048008.db2.gz OBMONCKTGSDKHD-AWEZNQCLSA-N 1 0 339.936 4.281 40 0 EIABRO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000245318990 564052403 /nfs/dbraw/zinc/05/24/03/564052403.db2.gz YSBWPYOHMLOJIM-SCTDSRPQSA-N 1 0 327.468 4.291 40 0 EIABRO Cc1ncc(-c2cc([C@H]3CCC[N@@H+]3Cc3ccccc3)ccn2)n1C ZINC000257306759 564055124 /nfs/dbraw/zinc/05/51/24/564055124.db2.gz SVSOHKBQDHGNRY-HXUWFJFHSA-N 1 0 332.451 4.128 40 0 EIABRO COc1ccccc1C[N@@H+]1CC[C@H](c2nc(-c3ccccc3C)no2)C1 ZINC000257329000 564055542 /nfs/dbraw/zinc/05/55/42/564055542.db2.gz XHYVPOFZRZOPQE-KRWDZBQOSA-N 1 0 349.434 4.043 40 0 EIABRO CC(C)Nc1nc(Nc2cccc(Cl)c2Cl)cc(C2CC2)n1 ZINC000329058476 564072002 /nfs/dbraw/zinc/07/20/02/564072002.db2.gz WDCDTHVKRAVDOM-UHFFFAOYSA-N 1 0 337.254 4.069 40 0 EIABRO Cc1nc(N2Cc3ccccc3C[C@@H]2C)cc(NC2CCCCC2)[nH+]1 ZINC000329066086 564072042 /nfs/dbraw/zinc/07/20/42/564072042.db2.gz XXBWXLXVYDCUER-HNNXBMFYSA-N 1 0 336.483 4.481 40 0 EIABRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000010111116 564127671 /nfs/dbraw/zinc/12/76/71/564127671.db2.gz RZXHHNAJIMFLID-UHFFFAOYSA-N 1 0 336.479 4.350 40 0 EIABRO C[C@H](CCc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010358125 564127756 /nfs/dbraw/zinc/12/77/56/564127756.db2.gz GNNGLRVVJJBNGI-GOSISDBHSA-N 1 0 336.479 4.034 40 0 EIABRO C[C@@H](C[N@@H+]1CCC[C@@H](n2c3ccccc3oc2=O)C1)c1ccccc1 ZINC000012119143 564127844 /nfs/dbraw/zinc/12/78/44/564127844.db2.gz QZBANVDLACHLEC-FUHWJXTLSA-N 1 0 336.435 4.035 40 0 EIABRO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@@H+](CC1CCCCC1)C2 ZINC000225489573 564135186 /nfs/dbraw/zinc/13/51/86/564135186.db2.gz RBCNSAJUMHPYCZ-SFHVURJKSA-N 1 0 328.456 4.106 40 0 biogenic,in-vitro EIABRO C[C@H]1CCC[N@@H+]1CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000004411196 210189324 /nfs/dbraw/zinc/18/93/24/210189324.db2.gz MUFKSDGEJXMZSW-IHPCNDPISA-N 1 0 327.468 4.154 40 0 EIABRO Cc1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044873432 213656292 /nfs/dbraw/zinc/65/62/92/213656292.db2.gz DZLNTTTVCIHYQC-BUHFOSPRSA-N 1 0 348.490 4.311 40 0 EIABRO C[NH+](C)Cc1ccccc1CC(O)(c1ccccc1)c1ccccc1 ZINC000001713602 209784425 /nfs/dbraw/zinc/78/44/25/209784425.db2.gz GXLFQSPMZHGYGQ-UHFFFAOYSA-N 1 0 331.459 4.227 40 0 EIABRO Cc1cccc(C)c1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038833476 213228520 /nfs/dbraw/zinc/22/85/20/213228520.db2.gz UGJVWXBCLOIOCB-SFHVURJKSA-N 1 0 340.442 4.293 40 0 EIABRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1C ZINC000038835197 213227680 /nfs/dbraw/zinc/22/76/80/213227680.db2.gz QZQWIGFVIZUNRA-SFHVURJKSA-N 1 0 340.442 4.293 40 0 EIABRO Cc1c(C)n(C[C@@H](O)C[NH2+][C@H]2CCCC[C@@H]2C)c2ccc(C)cc12 ZINC000035075101 213006545 /nfs/dbraw/zinc/00/65/45/213006545.db2.gz XYNAGHMHYXSCDA-QSFXBCCZSA-N 1 0 328.500 4.096 40 0 EIABRO CC[C@@H](C)C[C@@H](C)/C=C/CC[C@H](O)[C@@H](Cc1ccc(O)cc1)[NH2+]C ZINC000035458722 213029970 /nfs/dbraw/zinc/02/99/70/213029970.db2.gz RNCWKUCWPBNWOH-XIZOHKNSSA-N 1 0 333.516 4.292 40 0 biogenic,in-vitro EIABRO COc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000072358323 216165815 /nfs/dbraw/zinc/16/58/15/216165815.db2.gz YLQSTVUJFSGGQS-KRWDZBQOSA-N 1 0 337.467 4.274 40 0 EIABRO Cc1cccc(-c2cccc([C@H]3CCC[N@@H+](Cc4nccn4C)C3)n2)c1 ZINC000072349995 216161176 /nfs/dbraw/zinc/16/11/76/216161176.db2.gz UOPWELUCVAFBLD-IBGZPJMESA-N 1 0 346.478 4.170 40 0 EIABRO Cc1sc2c([C@@H]3CCC[N@H+](Cc4ccncc4)C3)nc(C)n2c1C ZINC000072351263 216162735 /nfs/dbraw/zinc/16/27/35/216162735.db2.gz LXFSKTLRTUXYRA-QGZVFWFLSA-N 1 0 340.496 4.096 40 0 EIABRO Cc1ccc(Nc2nccc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)nc1 ZINC000072377359 216178792 /nfs/dbraw/zinc/17/87/92/216178792.db2.gz DZRSPYJIVNKOLB-LJQANCHMSA-N 1 0 345.450 4.261 40 0 EIABRO c1cn(-c2cccc(C3CC[NH+](CCCc4ccccc4)CC3)n2)cn1 ZINC000072379113 216181931 /nfs/dbraw/zinc/18/19/31/216181931.db2.gz SZKQHVAOMYSFOK-UHFFFAOYSA-N 1 0 346.478 4.080 40 0 EIABRO COc1ccc(-c2noc([C@H]3CC[N@H+](Cc4ccccc4C)C3)n2)cc1 ZINC000072369927 216177889 /nfs/dbraw/zinc/17/78/89/216177889.db2.gz TWXZFTOKYFODHZ-SFHVURJKSA-N 1 0 349.434 4.043 40 0 EIABRO C[N@H+]1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000000056446 209392816 /nfs/dbraw/zinc/39/28/16/209392816.db2.gz MXYUKLILVYORSK-PWRODBHTSA-N 1 0 337.463 4.236 40 0 EIABRO CC[C@@H]1CSc2n1c(-c1ccc(OC)cc1)c[n+]2-c1ccccc1 ZINC000027788669 212579365 /nfs/dbraw/zinc/57/93/65/212579365.db2.gz RZXYKMSZAVQCRX-MRXNPFEDSA-N 1 0 337.468 4.497 40 0 EIABRO COc1ccc(-[n+]2cc(-c3ccc(C)cc3)n3c2S[C@H](C)C3)cc1 ZINC000027788631 212579306 /nfs/dbraw/zinc/57/93/06/212579306.db2.gz DZHZHZRFLKGFGW-OAHLLOKOSA-N 1 0 337.468 4.243 40 0 EIABRO COc1ccc([C@@](O)(CC[NH+]2CCCCC2)Cc2ccccc2)cc1 ZINC000027346692 212554397 /nfs/dbraw/zinc/55/43/97/212554397.db2.gz SLLKUDXKJKDDQD-JOCHJYFZSA-N 1 0 339.479 4.002 40 0 EIABRO Cc1ccc(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)cc1 ZINC000244456446 243038472 /nfs/dbraw/zinc/03/84/72/243038472.db2.gz ZEKPAKPILBYWHO-UHFFFAOYSA-N 1 0 347.466 4.169 40 0 EIABRO CC1CC[NH+](Cc2ccc(C(=O)NC3CCCCCC3)cc2)CC1 ZINC000020492880 212139667 /nfs/dbraw/zinc/13/96/67/212139667.db2.gz TUIOGQMXKGLTKG-UHFFFAOYSA-N 1 0 328.500 4.371 40 0 EIABRO O=C(N[C@H]1CCCc2ccccc21)c1ccc(C[NH+]2CCCC2)cc1 ZINC000020460787 212133405 /nfs/dbraw/zinc/13/34/05/212133405.db2.gz DZGWJEZDIOITQD-NRFANRHFSA-N 1 0 334.463 4.090 40 0 EIABRO CC[C@H](C[NH+]1CCCC1)n1cncc1-c1cnn(C2CCCCC2)c1 ZINC000019654569 212052817 /nfs/dbraw/zinc/05/28/17/212052817.db2.gz KUXRKQHFQUHXAI-GOSISDBHSA-N 1 0 341.503 4.299 40 0 EIABRO Cc1sc2c(C3CC[NH2+]CC3)nc(Nc3cccc(F)c3)n2c1C ZINC000019561820 212043002 /nfs/dbraw/zinc/04/30/02/212043002.db2.gz JGOOBOPJDLTVRH-UHFFFAOYSA-N 1 0 344.459 4.362 40 0 EIABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cc1 ZINC000019533240 212039785 /nfs/dbraw/zinc/03/97/85/212039785.db2.gz XTLYNUAKFGOPQI-QGZVFWFLSA-N 1 0 335.451 4.341 40 0 EIABRO COc1cccc2cc(CN3CCC([NH+]4CCC(C)CC4)CC3)oc21 ZINC000019496847 212032522 /nfs/dbraw/zinc/03/25/22/212032522.db2.gz JCRXKQZEQJNEAD-UHFFFAOYSA-N 1 0 342.483 4.138 40 0 EIABRO c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000019373024 212024328 /nfs/dbraw/zinc/02/43/28/212024328.db2.gz ODDINEOAYQNFBG-KRWDZBQOSA-N 1 0 331.423 4.097 40 0 EIABRO c1csc(-c2nnc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC000019371988 212023141 /nfs/dbraw/zinc/02/31/41/212023141.db2.gz CDXYRMUILHXPIA-HNNXBMFYSA-N 1 0 325.437 4.178 40 0 EIABRO Cc1cc(-c2snnc2[C@@H]2CCC[N@H+](CC3CCCCC3)C2)on1 ZINC000019120728 212000694 /nfs/dbraw/zinc/00/06/94/212000694.db2.gz AWSPLLFRFPXNRZ-OAHLLOKOSA-N 1 0 346.500 4.261 40 0 EIABRO OCC1CCC2(CC1)C[N@H+](Cc1ccsc1)Cc1ccccc1O2 ZINC000012408064 211370122 /nfs/dbraw/zinc/37/01/22/211370122.db2.gz FOCZHKSDORYTGF-UHFFFAOYSA-N 1 0 343.492 4.064 40 0 EIABRO CCSc1ncc(C[NH2+]C2(c3ccccc3F)CCCC2)cn1 ZINC000012344612 211353196 /nfs/dbraw/zinc/35/31/96/211353196.db2.gz VLYXUBHXALJXCK-UHFFFAOYSA-N 1 0 331.460 4.287 40 0 EIABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1C ZINC000072215024 257688948 /nfs/dbraw/zinc/68/89/48/257688948.db2.gz YWXTXBJNELYTDR-MRXNPFEDSA-N 1 0 333.476 4.390 40 0 EIABRO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000009063558 257862369 /nfs/dbraw/zinc/86/23/69/257862369.db2.gz NZUWGPAKXLSOES-UHFFFAOYSA-N 1 0 340.442 4.293 40 0 EIABRO CC1CC[NH+](CCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 ZINC000013648766 521004052 /nfs/dbraw/zinc/00/40/52/521004052.db2.gz QCKFUVTVHNIUDL-DHZHZOJOSA-N 1 0 342.527 4.236 40 0 EIABRO COc1ccc2c(c1)N(C[C@H](C)C[NH+](C)C)c1ccccc1S2 ZINC000000020246 525549572 /nfs/dbraw/zinc/54/95/72/525549572.db2.gz VRQVVMDWGGWHTJ-CQSZACIVSA-N 1 0 328.481 4.496 40 0 world EIABRO CCOc1cc(C=O)ccc1OCCCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000217799061 535670124 /nfs/dbraw/zinc/67/01/24/535670124.db2.gz LDHAEMDAXYRTIE-IAGOWNOFSA-N 1 0 333.472 4.320 40 0 EIABRO O=C(OCCC[NH+]1CCCC1)[C@@H](c1ccccc1)C1CCCCC1 ZINC000001648477 563399230 /nfs/dbraw/zinc/39/92/30/563399230.db2.gz YKAPNTZTWOACFB-FQEVSTJZSA-N 1 0 329.484 4.380 40 0 EIABRO CC[C@H]1CCC[N@H+](C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 ZINC000005719153 563547044 /nfs/dbraw/zinc/54/70/44/563547044.db2.gz DAEXSSOBURHTQY-HKPPCEJWSA-N 1 0 349.559 4.092 40 0 EIABRO COc1cc2cccnc2c(NCCCCC[NH2+][C@@H](C)C(C)C)c1 ZINC000005835467 563551743 /nfs/dbraw/zinc/55/17/43/563551743.db2.gz NJMNDZQLXMFXEA-INIZCTEOSA-N 1 0 329.488 4.460 40 0 EIABRO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)cc(Cl)c1OC ZINC000007538539 563605178 /nfs/dbraw/zinc/60/51/78/563605178.db2.gz WCQRBPSSOHSUJE-UHFFFAOYSA-N 1 0 335.831 4.046 40 0 EIABRO C[NH+](C)CCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000008373881 563627862 /nfs/dbraw/zinc/62/78/62/563627862.db2.gz REGGAOJEQONVIJ-UHFFFAOYSA-N 1 0 327.255 4.295 40 0 EIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000013649625 563707059 /nfs/dbraw/zinc/70/70/59/563707059.db2.gz NBVLSQYIGQWXHQ-IBGZPJMESA-N 1 0 330.516 4.369 40 0 EIABRO c1csc(CN2C[C@H]3C[C@H](c4cccs4)[N@@H+]4CCC[C@@]34C2)c1 ZINC000072342199 563966430 /nfs/dbraw/zinc/96/64/30/563966430.db2.gz VZCGSGGZCDERBK-QGPMSJSTSA-N 1 0 330.522 4.221 40 0 EIABRO C[NH+]1CCC(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000074921062 563967063 /nfs/dbraw/zinc/96/70/63/563967063.db2.gz KBGNBAXXZSKBCE-UHFFFAOYSA-N 1 0 334.769 4.029 40 0 EIABRO O=C1N(CC2CCCCC2)C[C@]12CCC[N@H+](CC1CCCCC1)C2 ZINC000585099278 563971411 /nfs/dbraw/zinc/97/14/11/563971411.db2.gz APHIVMCJUTVAPO-OAQYLSRUSA-N 1 0 332.532 4.071 40 0 EIABRO FC(F)(F)c1ccc(Oc2cccc(CC3CC[NH2+]CC3)c2)nc1 ZINC000091302733 563975211 /nfs/dbraw/zinc/97/52/11/563975211.db2.gz RAJUJDLYUGDSCX-UHFFFAOYSA-N 1 0 336.357 4.435 40 0 EIABRO c1nc2n(c1-c1ccccc1)CCC21CC[NH+](Cc2ccccc2)CC1 ZINC000096263427 563980682 /nfs/dbraw/zinc/98/06/82/563980682.db2.gz LQCXLCJTQAICBY-UHFFFAOYSA-N 1 0 343.474 4.488 40 0 EIABRO Cc1ccc(Cl)c(OCC2(O)CC[NH+](C3CCCCC3)CC2)c1 ZINC000585280910 563981808 /nfs/dbraw/zinc/98/18/08/563981808.db2.gz CIDKOFMRDIWUSO-UHFFFAOYSA-N 1 0 337.891 4.187 40 0 EIABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214504 563984737 /nfs/dbraw/zinc/98/47/37/563984737.db2.gz MWIZVTIQYJNGKD-INIZCTEOSA-N 1 0 333.476 4.390 40 0 EIABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2CC)cn1 ZINC000072214669 563984863 /nfs/dbraw/zinc/98/48/63/563984863.db2.gz ZZRUGDURCJIHPO-INIZCTEOSA-N 1 0 333.476 4.390 40 0 EIABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2C)cn1 ZINC000072215089 563985090 /nfs/dbraw/zinc/98/50/90/563985090.db2.gz CLQMIJQJGWZDMN-GDBMZVCRSA-N 1 0 333.476 4.388 40 0 EIABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[NH2+]1 ZINC000072215051 563985100 /nfs/dbraw/zinc/98/51/00/563985100.db2.gz IXJABAUYGIJJIQ-MRXNPFEDSA-N 1 0 333.476 4.438 40 0 EIABRO Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000001370443 564003515 /nfs/dbraw/zinc/00/35/15/564003515.db2.gz RCNLQZJPDPOWGA-SEJPIABJSA-N 1 0 348.490 4.311 40 0 EIABRO CCc1ccc([C@@H]2Nc3cc(Cl)ccc3C3=[NH+]CCCN32)cc1 ZINC000004936849 564005500 /nfs/dbraw/zinc/00/55/00/564005500.db2.gz GCDJUTGELUPWRY-GOSISDBHSA-N 1 0 325.843 4.479 40 0 EIABRO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000000568281 564012754 /nfs/dbraw/zinc/01/27/54/564012754.db2.gz BTYWYGBUGGLDMS-UHFFFAOYSA-N 1 0 346.858 4.199 40 0 EIABRO COc1cc(C[NH2+]C2CC2)ccc1OCc1ccc(F)cc1Cl ZINC000008471696 564016168 /nfs/dbraw/zinc/01/61/68/564016168.db2.gz DKPPEYREZRVDMP-UHFFFAOYSA-N 1 0 335.806 4.319 40 0 EIABRO C[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000008377382 564016183 /nfs/dbraw/zinc/01/61/83/564016183.db2.gz SOQWVEZWTBTJBR-UHFFFAOYSA-N 1 0 326.223 4.300 40 0 EIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2cccc(C)c2C)CC1 ZINC000009062881 564016575 /nfs/dbraw/zinc/01/65/75/564016575.db2.gz SNVMWLLYDBXRPQ-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO O=C(Nc1ccccc1F)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063292 564016612 /nfs/dbraw/zinc/01/66/12/564016612.db2.gz RZSABFKOIXHAKC-UHFFFAOYSA-N 1 0 346.833 4.330 40 0 EIABRO COc1ccc(-c2nnc([C@H]3CC[N@H+](CC4CCCCC4)C3)o2)cc1 ZINC000049170100 564032592 /nfs/dbraw/zinc/03/25/92/564032592.db2.gz COXDGYQJXRYBRB-KRWDZBQOSA-N 1 0 341.455 4.115 40 0 biogenic,in-vitro EIABRO Cn1c2ccccc2nc1[C@H]1CC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000049171154 564032663 /nfs/dbraw/zinc/03/26/63/564032663.db2.gz DFPAGJZWBXUQEE-SFHVURJKSA-N 1 0 342.446 4.111 40 0 biogenic,in-vitro EIABRO CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC000026897750 564033209 /nfs/dbraw/zinc/03/32/09/564033209.db2.gz DPSRCYMFYKYHJN-HXUWFJFHSA-N 1 0 330.472 4.052 40 0 EIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C)cc1C ZINC000225580119 564047967 /nfs/dbraw/zinc/04/79/67/564047967.db2.gz RVUMDRXPASKVEA-KRWDZBQOSA-N 1 0 333.545 4.244 40 0 EIABRO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)c(C(C)(C)C)c1 ZINC000026781119 564057215 /nfs/dbraw/zinc/05/72/15/564057215.db2.gz OBRMJGDRGTWSPH-MJGOQNOKSA-N 1 0 341.495 4.383 40 0 EIABRO c1coc(CN2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 ZINC000306135274 564062247 /nfs/dbraw/zinc/06/22/47/564062247.db2.gz OMIFSVVIHRKXFR-LJQANCHMSA-N 1 0 344.418 4.326 40 0 EIABRO CC(C)(C)Nc1nc(NCc2ccccc2Cl)cc(C2CC2)[nH+]1 ZINC000329072432 564072190 /nfs/dbraw/zinc/07/21/90/564072190.db2.gz ZXZCMFJAVNPWEA-UHFFFAOYSA-N 1 0 330.863 4.252 40 0 EIABRO Cc1ccccc1C[NH+]1CCC(C(=O)N2CCCc3ccccc32)CC1 ZINC000009062563 564127649 /nfs/dbraw/zinc/12/76/49/564127649.db2.gz YLQCWCQYKIUSPV-UHFFFAOYSA-N 1 0 348.490 4.186 40 0 EIABRO C[C@@H]1OC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)[N@@H+]3C)[C@H]21 ZINC000052429253 214128166 /nfs/dbraw/zinc/12/81/66/214128166.db2.gz FMPNFDSPHNUFOS-LVCBAPDRSA-N 1 0 345.527 4.419 40 0 EIABRO O=C(OCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000001716172 209784456 /nfs/dbraw/zinc/78/44/56/209784456.db2.gz ROVFWEJBXNQFDJ-UHFFFAOYSA-N 1 0 329.827 4.293 40 0 EIABRO O=C(Nc1ccccc1Cl)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038833745 213228254 /nfs/dbraw/zinc/22/82/54/213228254.db2.gz UOUMEQLIVVJURM-MRXNPFEDSA-N 1 0 328.843 4.191 40 0 EIABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)CC1 ZINC000038853623 213227756 /nfs/dbraw/zinc/22/77/56/213227756.db2.gz KICRUYRKOJIOSY-UHFFFAOYSA-N 1 0 344.405 4.449 40 0 EIABRO C[C@@H]([NH2+]Cc1ccccc1OCC(=O)NC1CCCCC1)C(C)(C)C ZINC000036612540 213101642 /nfs/dbraw/zinc/10/16/42/213101642.db2.gz IWQNOTGGLMLYRN-MRXNPFEDSA-N 1 0 346.515 4.039 40 0 EIABRO Cn1cc(C[N@@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)c2ccccc21 ZINC000035446660 213028966 /nfs/dbraw/zinc/02/89/66/213028966.db2.gz ZCIHASZCIPPOCT-HNNXBMFYSA-N 1 0 330.435 4.044 40 0 biogenic,in-vitro EIABRO Cc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000072358569 216165909 /nfs/dbraw/zinc/16/59/09/216165909.db2.gz LTTYUSJKJMFKDN-HXUWFJFHSA-N 1 0 344.462 4.227 40 0 EIABRO Fc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000072358614 216166346 /nfs/dbraw/zinc/16/63/46/216166346.db2.gz AKDVVVQCSNAPNK-QGZVFWFLSA-N 1 0 348.425 4.057 40 0 EIABRO C[C@H](C[N@@H+]1CCC[C@H](n2c3ccccc3oc2=O)C1)c1ccccc1 ZINC000072347844 216161219 /nfs/dbraw/zinc/16/12/19/216161219.db2.gz QZBANVDLACHLEC-AEFFLSMTSA-N 1 0 336.435 4.035 40 0 EIABRO CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000072366752 216170973 /nfs/dbraw/zinc/17/09/73/216170973.db2.gz DYDNAWUCSGPAMS-LJQANCHMSA-N 1 0 348.450 4.003 40 0 EIABRO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072379144 216180911 /nfs/dbraw/zinc/18/09/11/216180911.db2.gz DCPGEWMQOIZPSS-KRWDZBQOSA-N 1 0 338.499 4.342 40 0 EIABRO CC[N@@H+]1CCC[C@@H]1CN(CCCc1ccccc1)Cc1ccncc1 ZINC000023247759 212363504 /nfs/dbraw/zinc/36/35/04/212363504.db2.gz CXLFHBNQONWFGQ-JOCHJYFZSA-N 1 0 337.511 4.001 40 0 EIABRO CCOc1c(Cl)cc(C[NH2+]CCc2ccccc2F)cc1OC ZINC000022074638 212274932 /nfs/dbraw/zinc/27/49/32/212274932.db2.gz GMVZQVOVHIBMMY-UHFFFAOYSA-N 1 0 337.822 4.219 40 0 EIABRO CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000020482695 212137043 /nfs/dbraw/zinc/13/70/43/212137043.db2.gz PREZBDGZVRVLJQ-UHFFFAOYSA-N 1 0 342.870 4.208 40 0 EIABRO Cc1ccccc1-c1noc([C@H]2CC[N@H+](Cc3ccsc3)C2)n1 ZINC000257248742 244262764 /nfs/dbraw/zinc/26/27/64/244262764.db2.gz JEZQDUFVHKJUIA-HNNXBMFYSA-N 1 0 325.437 4.096 40 0 EIABRO c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCC[NH2+]3)n2)cc1 ZINC000019373025 212024055 /nfs/dbraw/zinc/02/40/55/212024055.db2.gz ODDINEOAYQNFBG-QGZVFWFLSA-N 1 0 331.423 4.097 40 0 EIABRO c1ccc(C2CCCCC2)c(OCCCCCN2CC[NH2+]CC2)c1 ZINC000019365819 212021312 /nfs/dbraw/zinc/02/13/12/212021312.db2.gz NZWBFVUZQHXPKM-UHFFFAOYSA-N 1 0 330.516 4.189 40 0 EIABRO Fc1ccc(F)c(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019346901 212019770 /nfs/dbraw/zinc/01/97/70/212019770.db2.gz GBIXXNFFRHLELU-AWEZNQCLSA-N 1 0 327.378 4.221 40 0 EIABRO Fc1cccc(Cl)c1C[NH+]1CCC(c2[nH]nc3ncccc32)CC1 ZINC000019292578 212012818 /nfs/dbraw/zinc/01/28/18/212012818.db2.gz FUOOXSDPPROFCL-UHFFFAOYSA-N 1 0 344.821 4.130 40 0 EIABRO Cn1nc([C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c2cccnc21 ZINC000019289498 212011733 /nfs/dbraw/zinc/01/17/33/212011733.db2.gz JLZUWBNJRWTKLQ-HNNXBMFYSA-N 1 0 340.858 4.001 40 0 EIABRO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2ccncc2C)cc1 ZINC000019239551 212008755 /nfs/dbraw/zinc/00/87/55/212008755.db2.gz WHHIBUCIOMXLPE-MLNNCEHLSA-N 1 0 336.479 4.461 40 0 EIABRO Fc1ccc(CN[C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(F)cc2)cc1 ZINC000079439293 217224985 /nfs/dbraw/zinc/22/49/85/217224985.db2.gz QTUZDQRFYDFJHL-PMACEKPBSA-N 1 0 330.422 4.155 40 0 EIABRO Cc1c2ccccc2oc1C[N@@H+]1CCCC[C@@H]1CCN1CCCC1=O ZINC000012364398 211355602 /nfs/dbraw/zinc/35/56/02/211355602.db2.gz ACHBPVJKZQJRLG-QGZVFWFLSA-N 1 0 340.467 4.108 40 0 EIABRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000012284620 211333360 /nfs/dbraw/zinc/33/33/60/211333360.db2.gz ARDWJMAHNFRPJJ-MRXNPFEDSA-N 1 0 328.843 4.191 40 0 EIABRO CCCC(=O)N1CCC(c2[nH+]c3ccccn3c2NC(C)(C)C)CC1 ZINC000012087438 211288215 /nfs/dbraw/zinc/28/82/15/211288215.db2.gz HOHUNSYVYUFODE-UHFFFAOYSA-N 1 0 342.487 4.051 40 0 EIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cl)cc1Cl ZINC000010543012 211180016 /nfs/dbraw/zinc/18/00/16/211180016.db2.gz OABYXKBQJKTLII-CQSZACIVSA-N 1 0 343.298 4.378 40 0 EIABRO OC1(c2ccccc2)CC[NH+](C/C=C\c2ccccc2Cl)CC1 ZINC000005065087 210381505 /nfs/dbraw/zinc/38/15/05/210381505.db2.gz BJMVUTQTICUHQJ-VURMDHGXSA-N 1 0 327.855 4.337 40 0 EIABRO COc1cc2c(cc1OC)[C@@H]1CC(C)=C(c3ccccc3)C[N@@H+]1CC2 ZINC000004972678 210345299 /nfs/dbraw/zinc/34/52/99/210345299.db2.gz LNSRYPKSYOWOPL-FQEVSTJZSA-N 1 0 335.447 4.480 40 0 EIABRO S=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1 ZINC000004886634 210310902 /nfs/dbraw/zinc/31/09/02/210310902.db2.gz DFOWZBIOZHJFNW-LQDVMPOASA-N 1 0 349.931 4.174 40 0 EIABRO CCc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000004856998 210303530 /nfs/dbraw/zinc/30/35/30/210303530.db2.gz OQWMVLGSTAKVIJ-JLYLLQBASA-N 1 0 343.540 4.083 40 0 EIABRO O[C@H](C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)c1ccc(Br)cc1 ZINC000004769328 210273769 /nfs/dbraw/zinc/27/37/69/210273769.db2.gz PERIBZNZHZKQGE-XOKHGSTOSA-N 1 0 338.289 4.137 40 0 EIABRO C[C@@H](O)c1ccc2c(c1)N(CCC[NH+](C)C)c1ccccc1S2 ZINC000006054667 135673711 /nfs/dbraw/zinc/67/37/11/135673711.db2.gz ZIJWCRNUEBJMSQ-CQSZACIVSA-N 1 0 328.481 4.294 40 0 in-vitro EIABRO CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CC)CC[N@@H+]2Cc1ccoc1 ZINC000005492542 563534936 /nfs/dbraw/zinc/53/49/36/563534936.db2.gz HEYXXBUDMDVUNQ-CEWLAPEOSA-N 1 0 325.452 4.490 40 0 in-vivo EIABRO CC(C)c1ccc(CCC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000013670998 563708963 /nfs/dbraw/zinc/70/89/63/563708963.db2.gz MLCSQHMYJNBHJQ-UHFFFAOYSA-N 1 0 330.516 4.125 40 0 EIABRO O=C(NC1CCCCCCC1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030944057 563911892 /nfs/dbraw/zinc/91/18/92/563911892.db2.gz SKPBXDUMWUFGHC-SFHVURJKSA-N 1 0 346.490 4.267 40 0 EIABRO CCSC1(SCC)C(=O)OC2=C(CCCCCC2)[C@H]1[NH+](C)C ZINC000031759760 563912919 /nfs/dbraw/zinc/91/29/19/563912919.db2.gz WZZPXQRNDMHZDV-OAHLLOKOSA-N 1 0 343.558 4.284 40 0 EIABRO O=C1c2ccc3ccccc3c2CC[C@H]1[C@H]1[NH2+]CCc2ccccc21 ZINC000031938402 563913223 /nfs/dbraw/zinc/91/32/23/563913223.db2.gz FIWNZTBJFYHZIL-VXKWHMMOSA-N 1 0 327.427 4.472 40 0 EIABRO O=C1c2ccc3ccccc3c2CC[C@@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000031938397 563913248 /nfs/dbraw/zinc/91/32/48/563913248.db2.gz FIWNZTBJFYHZIL-FGZHOGPDSA-N 1 0 327.427 4.472 40 0 EIABRO CSc1ccc2cc3c(nc2c1)OCCN(Cc1ccccc1)C3 ZINC000057718670 563935816 /nfs/dbraw/zinc/93/58/16/563935816.db2.gz HBKQYEHCAGSCHO-UHFFFAOYSA-N 1 0 336.460 4.351 40 0 EIABRO COc1ccc(C2([NH2+]Cc3cnc(-c4ccccc4C)nc3)CC2)cc1 ZINC000057823127 563936057 /nfs/dbraw/zinc/93/60/57/563936057.db2.gz ZOGFNSKEPJACBK-UHFFFAOYSA-N 1 0 345.446 4.240 40 0 EIABRO CC(C)(C)CC(C)(C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000065860317 563962150 /nfs/dbraw/zinc/96/21/50/563962150.db2.gz AVPGQBOTCQDFHY-UHFFFAOYSA-N 1 0 330.516 4.230 40 0 EIABRO CCCC[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccc(C)cc2)CC1 ZINC000585099948 563971403 /nfs/dbraw/zinc/97/14/03/563971403.db2.gz ATXMBVMHOLAAKB-NRFANRHFSA-N 1 0 328.500 4.142 40 0 EIABRO O[C@H]1CCCC[C@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@@H+]2Cc1ccccc1 ZINC000095951707 563977843 /nfs/dbraw/zinc/97/78/43/563977843.db2.gz MODPAPWMWURKBP-CLAROIROSA-N 1 0 339.454 4.345 40 0 EIABRO Cc1cc(OCC2(O)CC[NH+](C3CCCC3)CC2)cc(C)c1Cl ZINC000585281972 563981804 /nfs/dbraw/zinc/98/18/04/563981804.db2.gz VYQMRAFZNJLZKI-UHFFFAOYSA-N 1 0 337.891 4.105 40 0 EIABRO Cc1cccc(Cl)c1C[NH2+][C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585290474 563982032 /nfs/dbraw/zinc/98/20/32/563982032.db2.gz WPTLYQYBTBPHPC-XUVXKRRUSA-N 1 0 345.870 4.099 40 0 EIABRO Cc1cccc(C[N@@H+](C)[C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)c1 ZINC000585288681 563982081 /nfs/dbraw/zinc/98/20/81/563982081.db2.gz HKNVZTNWRTYMCR-BHDDXSALSA-N 1 0 339.479 4.096 40 0 EIABRO C[n+]1cccc([C@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)c1 ZINC000000207073 563996642 /nfs/dbraw/zinc/99/66/42/563996642.db2.gz UURFISZXAOBZQC-OAQYLSRUSA-N 1 0 349.498 4.077 40 0 EIABRO Clc1ccc(C2=C[C@H](c3ccccc3)N3NC=NC3=[NH+]2)cc1Cl ZINC000409059001 564009248 /nfs/dbraw/zinc/00/92/48/564009248.db2.gz QEKUNZIAZMAIBG-MRXNPFEDSA-N 1 0 343.217 4.294 40 0 EIABRO C[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008377333 564016197 /nfs/dbraw/zinc/01/61/97/564016197.db2.gz FBNAKCQYTMONPB-UHFFFAOYSA-N 1 0 326.223 4.300 40 0 EIABRO CCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000009063108 564016558 /nfs/dbraw/zinc/01/65/58/564016558.db2.gz IQFWOBZHTHUABM-UHFFFAOYSA-N 1 0 336.479 4.408 40 0 EIABRO Clc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1 ZINC000049169393 564032586 /nfs/dbraw/zinc/03/25/86/564032586.db2.gz AVLDZLUDQLLTAT-INIZCTEOSA-N 1 0 339.826 4.380 40 0 biogenic,in-vitro EIABRO Cc1cc(C)c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C ZINC000224641444 564043342 /nfs/dbraw/zinc/04/33/42/564043342.db2.gz LERYHUVCIFLLOW-UHFFFAOYSA-N 1 0 336.479 4.138 40 0 EIABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(Cl)cc1 ZINC000224642888 564043370 /nfs/dbraw/zinc/04/33/70/564043370.db2.gz LOFGTDUZUQWXKH-UHFFFAOYSA-N 1 0 342.870 4.256 40 0 EIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccccc1Cl ZINC000225580441 564048016 /nfs/dbraw/zinc/04/80/16/564048016.db2.gz OBMONCKTGSDKHD-CQSZACIVSA-N 1 0 339.936 4.281 40 0 EIABRO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccc(NC(=O)C(C)(C)C)cc2)C1 ZINC000225592344 564048122 /nfs/dbraw/zinc/04/81/22/564048122.db2.gz LLKULEUXVSKDPL-IYBDPMFKSA-N 1 0 332.488 4.028 40 0 EIABRO Cc1ccc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)cc1Cl ZINC000260735436 564052454 /nfs/dbraw/zinc/05/24/54/564052454.db2.gz IIPOSZYXQFTUOD-ZDUSSCGKSA-N 1 0 339.936 4.057 40 0 EIABRO Cc1cc(-c2ccnn2C(C)C)nc([C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC000257284906 564054707 /nfs/dbraw/zinc/05/47/07/564054707.db2.gz PEUNWSFEHWPGBM-GOSISDBHSA-N 1 0 327.476 4.165 40 0 EIABRO C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C\[C@@H]3CCC[C@@H](C)[N@@H+]3C)[C@@H]12 ZINC000299888319 564060892 /nfs/dbraw/zinc/06/08/92/564060892.db2.gz FMPNFDSPHNUFOS-XUBQYUOCSA-N 1 0 345.527 4.419 40 0 EIABRO Cc1nc(N2Cc3ccccc3C[C@H]2C)cc(NC2CCCCC2)[nH+]1 ZINC000329066087 564072117 /nfs/dbraw/zinc/07/21/17/564072117.db2.gz XXBWXLXVYDCUER-OAHLLOKOSA-N 1 0 336.483 4.481 40 0 EIABRO O=C(Nc1cccc(Cl)c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063562 564127647 /nfs/dbraw/zinc/12/76/47/564127647.db2.gz HTZNUBFJAOXBTL-UHFFFAOYSA-N 1 0 346.833 4.330 40 0 EIABRO CC(C)(C)c1ccc(CCC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000010111276 564127675 /nfs/dbraw/zinc/12/76/75/564127675.db2.gz GDTHEXUFAJWDOF-UHFFFAOYSA-N 1 0 344.543 4.299 40 0 EIABRO Clc1cccc(-c2cnc3n2C[C@H](C[NH2+]C2CCCCC2)OC3)c1 ZINC000096269352 564146213 /nfs/dbraw/zinc/14/62/13/564146213.db2.gz PWHAZLDGQRLLIG-KRWDZBQOSA-N 1 0 345.874 4.025 40 0 biogenic,in-vitro EIABRO C[C@@H]1CCC[N@@H+]1CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000004411195 210189875 /nfs/dbraw/zinc/18/98/75/210189875.db2.gz MUFKSDGEJXMZSW-HOJAQTOUSA-N 1 0 327.468 4.154 40 0 EIABRO Cc1ccc(C)c(C[NH+]2CCC(n3nnc4cc(F)ccc43)CC2)c1 ZINC000004399943 210187379 /nfs/dbraw/zinc/18/73/79/210187379.db2.gz NZZQSURXSGKBES-UHFFFAOYSA-N 1 0 338.430 4.024 40 0 EIABRO O=C1c2ccccc2C(=O)N1C[NH+](C1CCCCC1)C1CCCCC1 ZINC000003466608 210048644 /nfs/dbraw/zinc/04/86/44/210048644.db2.gz BALMNJIMZSRLDB-UHFFFAOYSA-N 1 0 340.467 4.208 40 0 EIABRO CC1(C)[C@H](Cc2cc(-c3ccccc3)on2)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000067889903 215242865 /nfs/dbraw/zinc/24/28/65/215242865.db2.gz UONWJSPNVCCEMV-NQIIRXRSSA-N 1 0 347.462 4.484 40 0 biogenic,in-vitro EIABRO C[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4N5CCC[NH+]=C5CC[C@]4(C)[C@H]3CC[C@]21C ZINC000104182864 219356959 /nfs/dbraw/zinc/35/69/59/219356959.db2.gz MCRLPGBGURQZIL-HSLXMIFTSA-N 1 0 342.527 4.372 40 0 EIABRO CCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038835311 213228872 /nfs/dbraw/zinc/22/88/72/213228872.db2.gz RPGXWPJBSPQYJA-GOSISDBHSA-N 1 0 340.442 4.239 40 0 EIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CCCCCC3)cc2)C1 ZINC000038852353 213228549 /nfs/dbraw/zinc/22/85/49/213228549.db2.gz IFYCVTVAYDZXEI-KRWDZBQOSA-N 1 0 328.500 4.371 40 0 EIABRO O=C(Nc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038833882 213227613 /nfs/dbraw/zinc/22/76/13/213227613.db2.gz XFLLGSMEANELSU-HNNXBMFYSA-N 1 0 346.833 4.330 40 0 EIABRO Cc1ccc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038833413 213226846 /nfs/dbraw/zinc/22/68/46/213226846.db2.gz INLNIIQXSMLIFR-SFHVURJKSA-N 1 0 340.442 4.293 40 0 EIABRO [NH3+]Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000038540402 213214015 /nfs/dbraw/zinc/21/40/15/213214015.db2.gz LSNOXFPGBSGJIK-UHFFFAOYSA-N 1 0 339.442 4.182 40 0 EIABRO Cc1ccc(C)c([C@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000036743850 213116606 /nfs/dbraw/zinc/11/66/06/213116606.db2.gz VOFQAAUHBRLSNS-LAUBAEHRSA-N 1 0 349.478 4.093 40 0 EIABRO C[N@H+](C[C@@H](O)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C1CCCCC1 ZINC000035075056 213007231 /nfs/dbraw/zinc/00/72/31/213007231.db2.gz RSPXLQCWKIXQLM-LYSIVYOWSA-N 1 0 337.548 4.233 40 0 EIABRO Cc1c(C)n(C[C@@H](O)C[NH2+][C@@H]2CCCC[C@@H]2C)c2ccc(C)cc12 ZINC000035075100 213006532 /nfs/dbraw/zinc/00/65/32/213006532.db2.gz XYNAGHMHYXSCDA-ZAAXVRCTSA-N 1 0 328.500 4.096 40 0 EIABRO Fc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072358152 216165730 /nfs/dbraw/zinc/16/57/30/216165730.db2.gz NJTCABFYRLMPBH-NRFANRHFSA-N 1 0 340.442 4.127 40 0 EIABRO Cc1cccnc1Nc1cncc([C@@H]2CCC[N@@H+]2CC(C)(C)C)n1 ZINC000072376265 216178832 /nfs/dbraw/zinc/17/88/32/216178832.db2.gz URLAKFRIAJWJFY-INIZCTEOSA-N 1 0 325.460 4.107 40 0 EIABRO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)c1 ZINC000072375269 216179163 /nfs/dbraw/zinc/17/91/63/216179163.db2.gz QIJUSBOGQGOXRD-LJQANCHMSA-N 1 0 345.450 4.261 40 0 EIABRO c1cnc(Nc2cccc([C@H]3CCC[N@H+]3CC3CCCCC3)n2)nc1 ZINC000072375242 216179594 /nfs/dbraw/zinc/17/95/94/216179594.db2.gz WJHBUEGOYRDFBY-GOSISDBHSA-N 1 0 337.471 4.332 40 0 EIABRO Cc1cccc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3cccnc3)n2)n1 ZINC000072380428 216183139 /nfs/dbraw/zinc/18/31/39/216183139.db2.gz PGKVOPNVNJYRRT-LJQANCHMSA-N 1 0 345.450 4.261 40 0 EIABRO Cc1cccc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)n1 ZINC000072380427 216183215 /nfs/dbraw/zinc/18/32/15/216183215.db2.gz PGKVOPNVNJYRRT-IBGZPJMESA-N 1 0 345.450 4.261 40 0 EIABRO Cc1ccc(-c2nnc([C@H]3CCC[N@H+](Cc4ccccc4)C3)o2)s1 ZINC000072390090 216191733 /nfs/dbraw/zinc/19/17/33/216191733.db2.gz JHSQZSNCRFPILO-INIZCTEOSA-N 1 0 339.464 4.486 40 0 EIABRO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Cl)c1OC ZINC000022074668 212275868 /nfs/dbraw/zinc/27/58/68/212275868.db2.gz ZSFKNDIBCNLLGL-UHFFFAOYSA-N 1 0 337.822 4.219 40 0 EIABRO CCc1ccc2c(c1)C(=O)CC1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000225817538 242051048 /nfs/dbraw/zinc/05/10/48/242051048.db2.gz HCLPSFLZUKKWDA-UHFFFAOYSA-N 1 0 335.447 4.249 40 0 EIABRO CCC[n+]1ccc(-c2nc3ccc(Br)cc3s2)cc1 ZINC000226776514 242114816 /nfs/dbraw/zinc/11/48/16/242114816.db2.gz DPJLWAPZRNJTNQ-UHFFFAOYSA-N 1 0 334.262 4.423 40 0 EIABRO CC1CC[NH+](C[C@@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000020806385 212173923 /nfs/dbraw/zinc/17/39/23/212173923.db2.gz YCNCDZXLEPMBSO-HXUWFJFHSA-N 1 0 331.500 4.206 40 0 EIABRO O=C(N[C@@H]1CCCc2ccccc21)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000020045461 212097170 /nfs/dbraw/zinc/09/71/70/212097170.db2.gz KLHIBZYBGHEVHT-JOCHJYFZSA-N 1 0 348.490 4.480 40 0 EIABRO COc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020038994 212096012 /nfs/dbraw/zinc/09/60/12/212096012.db2.gz KYWAFFBLSKBQEA-MRXNPFEDSA-N 1 0 338.451 4.179 40 0 EIABRO Cc1cc(-c2cncnc2)cc(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019687623 212055414 /nfs/dbraw/zinc/05/54/14/212055414.db2.gz MKVSFHRIDKURFB-UHFFFAOYSA-N 1 0 344.462 4.227 40 0 EIABRO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cccc(OC[C@@H]2CCCO2)c1 ZINC000019498366 212032392 /nfs/dbraw/zinc/03/23/92/212032392.db2.gz DJCFMTRMFOSGIU-QAPCUYQASA-N 1 0 343.492 4.425 40 0 EIABRO CC(C)Oc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccn(C)n2)cc1 ZINC000019450656 212028763 /nfs/dbraw/zinc/02/87/63/212028763.db2.gz QKPGOGQPHZOTLF-FQEVSTJZSA-N 1 0 327.472 4.325 40 0 EIABRO Fc1ccc([C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]2c2cc[nH]n2)cc1 ZINC000019349446 212019224 /nfs/dbraw/zinc/01/92/24/212019224.db2.gz APNOQFWDBQNZFA-ZWKOTPCHSA-N 1 0 339.389 4.071 40 0 EIABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2nc(C)n3ccccc23)C1 ZINC000019240682 212009266 /nfs/dbraw/zinc/00/92/66/212009266.db2.gz ZNVZFNPGXXYOCN-SFHVURJKSA-N 1 0 335.451 4.031 40 0 EIABRO CC[NH+](CC)CCN(C(=O)/C=C\c1ccccc1)C1CCCCC1 ZINC000017284406 211962610 /nfs/dbraw/zinc/96/26/10/211962610.db2.gz VMJVPWFGZXYKGR-NXVVXOECSA-N 1 0 328.500 4.203 40 0 EIABRO CCc1ccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 ZINC000012276671 211333814 /nfs/dbraw/zinc/33/38/14/211333814.db2.gz IYDAWMFQXUUXMQ-UHFFFAOYSA-N 1 0 348.450 4.074 40 0 EIABRO COc1cc(C[N@H+](C)Cc2cccc3ncccc23)c(Cl)cc1O ZINC000012191746 211314859 /nfs/dbraw/zinc/31/48/59/211314859.db2.gz IONFWQAHZUBWRJ-UHFFFAOYSA-N 1 0 342.826 4.234 40 0 EIABRO COc1ccc([C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128479 211300086 /nfs/dbraw/zinc/30/00/86/211300086.db2.gz MURYACHFMLDPRP-VQTJNVASSA-N 1 0 339.483 4.182 40 0 EIABRO COc1ccc(C2([NH2+]Cc3[nH]nnc3-c3ccccc3)CCCC2)cc1 ZINC000012147633 211307539 /nfs/dbraw/zinc/30/75/39/211307539.db2.gz GFHIZNXSZLFGMZ-UHFFFAOYSA-N 1 0 348.450 4.039 40 0 EIABRO Cc1cc(-c2noc([C@@H]3CCCC[NH2+]3)n2)cc(C)c1OCC(C)C ZINC000095095409 218280697 /nfs/dbraw/zinc/28/06/97/218280697.db2.gz YAVMPZVPQQRDLM-INIZCTEOSA-N 1 0 329.444 4.203 40 0 EIABRO C[C@H](C[NH+]1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 ZINC000006176176 210597149 /nfs/dbraw/zinc/59/71/49/210597149.db2.gz WVZSEUPGUDIELE-VGOFRKELSA-N 1 0 339.479 4.016 40 0 EIABRO Fc1ccc(-c2ccc(C[NH2+]CCCSc3ncccn3)o2)cc1 ZINC000004984188 210350147 /nfs/dbraw/zinc/35/01/47/210350147.db2.gz HQMIAUBNXULLAN-UHFFFAOYSA-N 1 0 343.427 4.148 40 0 EIABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(CC)cc1)C2 ZINC000004857079 210303881 /nfs/dbraw/zinc/30/38/81/210303881.db2.gz PBPZLSSNOGQANV-YQQQUEKLSA-N 1 0 345.556 4.331 40 0 EIABRO COc1ccccc1N(CC(=O)c1ccccc1)C1=NCCCCC1 ZINC000007276466 258012391 /nfs/dbraw/zinc/01/23/91/258012391.db2.gz QDCVJGMBWAAGJJ-UHFFFAOYSA-N 1 0 336.435 4.357 40 0 EIABRO CCOc1cc(C=O)ccc1OCCCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000217798879 535670705 /nfs/dbraw/zinc/67/07/05/535670705.db2.gz LDHAEMDAXYRTIE-IRXDYDNUSA-N 1 0 333.472 4.320 40 0 EIABRO CC(C)[NH2+][C@H]1C2CCC(CC2)[C@]1(O)c1ccc(Cl)c(Cl)c1 ZINC000000001150 563211373 /nfs/dbraw/zinc/21/13/73/563211373.db2.gz MQILJMOEUMZBHK-BRXCMPCDSA-N 1 0 328.283 4.368 40 0 in-man EIABRO COc1cc2cccnc2c(NCC[N@H+](CCC(C)C)C(C)C)c1 ZINC000001656134 563399489 /nfs/dbraw/zinc/39/94/89/563399489.db2.gz OZNRNWKTHQRYNG-UHFFFAOYSA-N 1 0 329.488 4.412 40 0 EIABRO CC(C)CC(CC(C)C)[NH2+]C[C@H](C)OC(=O)c1ccc(N(C)C)cc1 ZINC000001715253 563406529 /nfs/dbraw/zinc/40/65/29/563406529.db2.gz AEOQPTWXOZLPNF-KRWDZBQOSA-N 1 0 348.531 4.348 40 0 EIABRO [NH3+]CCSc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc21 ZINC000002525203 563439059 /nfs/dbraw/zinc/43/90/59/563439059.db2.gz FDPWAZZMGNKDCZ-UHFFFAOYSA-N 1 0 340.292 4.323 40 0 EIABRO CC[C@H](C)C[NH2+]CCCCCNc1cc(OC)cc2cccnc21 ZINC000005846368 563552173 /nfs/dbraw/zinc/55/21/73/563552173.db2.gz NIVAWDJSAYOWEW-INIZCTEOSA-N 1 0 329.488 4.461 40 0 EIABRO C[C@H](O)C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008497943 563631616 /nfs/dbraw/zinc/63/16/16/563631616.db2.gz HBCVVNMSWITLTQ-LBPRGKRZSA-N 1 0 340.250 4.043 40 0 EIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000013649623 563707022 /nfs/dbraw/zinc/70/70/22/563707022.db2.gz NBVLSQYIGQWXHQ-LJQANCHMSA-N 1 0 330.516 4.369 40 0 EIABRO O=C(/C=C\c1ccccc1)OCc1ccccc1C[NH+]1CCCCC1 ZINC000017004239 563828366 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EIABRO O[C@H]1CCCC[C@H]2[C@H]1[C@@H](c1cccc(F)c1)C[N@@H+]2Cc1ccccc1 ZINC000095951701 563977824 /nfs/dbraw/zinc/97/78/24/563977824.db2.gz SETGIDMDBVUFBQ-CLAROIROSA-N 1 0 339.454 4.345 40 0 EIABRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)o1 ZINC000096051104 563978543 /nfs/dbraw/zinc/97/85/43/563978543.db2.gz XDAUHDIWFJJLQC-IBGZPJMESA-N 1 0 346.421 4.326 40 0 EIABRO c1csc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)c1 ZINC000096057046 563978661 /nfs/dbraw/zinc/97/86/61/563978661.db2.gz MLZRAKKTHLMVRT-VQTJNVASSA-N 1 0 349.540 4.326 40 0 EIABRO c1nc(Nc2ccc(C[C@@H]3CC[NH2+]C3)cn2)sc1-c1ccccc1 ZINC000585262924 563980906 /nfs/dbraw/zinc/98/09/06/563980906.db2.gz PSUGMEBVVPSBSG-HNNXBMFYSA-N 1 0 336.464 4.101 40 0 EIABRO CC1(C)CCC([NH+]2CCC(O)(COc3ccc(F)cc3)CC2)CC1 ZINC000585282093 563981807 /nfs/dbraw/zinc/98/18/07/563981807.db2.gz XRYXXQYHDSZVOC-UHFFFAOYSA-N 1 0 335.463 4.000 40 0 EIABRO C[N@H+](Cc1ccccc1)[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585289687 563982013 /nfs/dbraw/zinc/98/20/13/563982013.db2.gz VEGQAIPZKASVJS-XUVXKRRUSA-N 1 0 345.870 4.133 40 0 EIABRO c1csc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)c1 ZINC000107752066 563984157 /nfs/dbraw/zinc/98/41/57/563984157.db2.gz MLZRAKKTHLMVRT-UXHICEINSA-N 1 0 349.540 4.326 40 0 EIABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214457 563984743 /nfs/dbraw/zinc/98/47/43/563984743.db2.gz KFAGRCPORBYQAP-INIZCTEOSA-N 1 0 333.476 4.390 40 0 EIABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[NH2+]1 ZINC000072215250 563985239 /nfs/dbraw/zinc/98/52/39/563985239.db2.gz JNIDWZWTACDBFO-HOCLYGCPSA-N 1 0 333.476 4.436 40 0 EIABRO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCC[NH2+]2)cn1)C1CCC1 ZINC000072215454 563985270 /nfs/dbraw/zinc/98/52/70/563985270.db2.gz XXFRSTNHZYEXGB-INIZCTEOSA-N 1 0 331.460 4.190 40 0 EIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3F)CC2)c1 ZINC000009063031 564016556 /nfs/dbraw/zinc/01/65/56/564016556.db2.gz HKXBOCCHDMHOOQ-UHFFFAOYSA-N 1 0 344.405 4.124 40 0 EIABRO O=C(Cc1ccc(Cl)cc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000017067409 564024789 /nfs/dbraw/zinc/02/47/89/564024789.db2.gz ZGGYHMPJIXUAED-UHFFFAOYSA-N 1 0 328.843 4.117 40 0 EIABRO CC(C)CCNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000023410339 564036205 /nfs/dbraw/zinc/03/62/05/564036205.db2.gz AQIHOFYBFAVTBI-UHFFFAOYSA-N 1 0 336.479 4.021 40 0 EIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCC3CCCCC3)cc2)C1 ZINC000224335429 564042441 /nfs/dbraw/zinc/04/24/41/564042441.db2.gz AZMNMXZRDKUEMT-KRWDZBQOSA-N 1 0 328.500 4.229 40 0 EIABRO CCCC[C@@H](CC)CNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000224550932 564043085 /nfs/dbraw/zinc/04/30/85/564043085.db2.gz FZYIEHDMPGFFAL-QGZVFWFLSA-N 1 0 348.506 4.370 40 0 EIABRO Cc1ccc(C)c(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224700045 564043536 /nfs/dbraw/zinc/04/35/36/564043536.db2.gz XNSXTCRRDDWLPG-UHFFFAOYSA-N 1 0 336.479 4.219 40 0 EIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(Cl)c1 ZINC000225580520 564047986 /nfs/dbraw/zinc/04/79/86/564047986.db2.gz OTSFEGDFLFFDQL-MRXNPFEDSA-N 1 0 339.936 4.281 40 0 EIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(Cl)c1 ZINC000225580545 564048010 /nfs/dbraw/zinc/04/80/10/564048010.db2.gz OTSFEGDFLFFDQL-INIZCTEOSA-N 1 0 339.936 4.281 40 0 EIABRO CC(C)Cc1ncc(-c2nccnc2[C@@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000257299383 564055034 /nfs/dbraw/zinc/05/50/34/564055034.db2.gz RPVPXZLBWLACFG-OAHLLOKOSA-N 1 0 344.528 4.386 40 0 EIABRO Cc1cc(N2CCc3cc(Cl)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000328991829 564071349 /nfs/dbraw/zinc/07/13/49/564071349.db2.gz ISHLNRPCSQHSFH-UHFFFAOYSA-N 1 0 342.874 4.356 40 0 EIABRO c1csc(CN2C[C@@H]3C[C@H](c4cccs4)[N@@H+]4CCC[C@]34C2)c1 ZINC000253588853 564124663 /nfs/dbraw/zinc/12/46/63/564124663.db2.gz VZCGSGGZCDERBK-LESCRADOSA-N 1 0 330.522 4.221 40 0 EIABRO CC[NH+](CC)CCN(C(=O)CCc1ccccc1)C1CCCCC1 ZINC000004429682 210192772 /nfs/dbraw/zinc/19/27/72/210192772.db2.gz VLRGIQWNPSNEPA-UHFFFAOYSA-N 1 0 330.516 4.122 40 0 EIABRO C[C@H]1CC[N@H+](CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C1 ZINC000004416838 210191098 /nfs/dbraw/zinc/19/10/98/210191098.db2.gz XILWIKWHCRBAJH-IHPCNDPISA-N 1 0 327.468 4.012 40 0 EIABRO CC[C@H]1CCC[N@@H+]1CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCC1 ZINC000004404531 210187948 /nfs/dbraw/zinc/18/79/48/210187948.db2.gz SPEXSRJGEOVWTM-UFYCRDLUSA-N 1 0 327.468 4.154 40 0 EIABRO CCCCOc1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000004367979 210180537 /nfs/dbraw/zinc/18/05/37/210180537.db2.gz NRCFHJWSSITGIB-OAHLLOKOSA-N 1 0 342.483 4.390 40 0 EIABRO CCCCOc1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000004367962 210180561 /nfs/dbraw/zinc/18/05/61/210180561.db2.gz UEZLIJVHRKKPRS-HNNXBMFYSA-N 1 0 342.483 4.247 40 0 EIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000039762187 213242150 /nfs/dbraw/zinc/24/21/50/213242150.db2.gz NSSQRUCPJLDOMQ-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3F)cc2)CC1 ZINC000038849263 213228959 /nfs/dbraw/zinc/22/89/59/213228959.db2.gz YVEJAXJOPXTBRN-UHFFFAOYSA-N 1 0 326.415 4.310 40 0 EIABRO O=C(NCCC1=CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038852420 213228501 /nfs/dbraw/zinc/22/85/01/213228501.db2.gz CBBMOHQBZVOUKQ-LJQANCHMSA-N 1 0 344.474 4.044 40 0 EIABRO Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(C)c1 ZINC000036743846 213116145 /nfs/dbraw/zinc/11/61/45/213116145.db2.gz IFBKTSMUHHSBHQ-UWJYYQICSA-N 1 0 349.478 4.093 40 0 EIABRO COc1ccc([C@H](O)[C@H]([NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000031961945 212771743 /nfs/dbraw/zinc/77/17/43/212771743.db2.gz ZVOJPKQDEDCIGN-YADHBBJMSA-N 1 0 333.431 4.260 40 0 EIABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc2c(c1)CCCC2 ZINC000030556258 212701526 /nfs/dbraw/zinc/70/15/26/212701526.db2.gz KZUMSVYFKLMXIK-UHFFFAOYSA-N 1 0 348.490 4.091 40 0 EIABRO Cc1cc(C)nc(Nc2ccc([C@@H]3CCC[N@@H+](CC(C)C)C3)nc2)n1 ZINC000072353254 216162681 /nfs/dbraw/zinc/16/26/81/216162681.db2.gz JBKGVHFPTWIZPZ-QGZVFWFLSA-N 1 0 339.487 4.067 40 0 EIABRO Fc1ccccc1-c1cccc([C@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000072350075 216162745 /nfs/dbraw/zinc/16/27/45/216162745.db2.gz CGWIGJSHAHZJKB-INIZCTEOSA-N 1 0 340.442 4.246 40 0 EIABRO CC[NH+](CC)CCNCc1ccccc1OCc1ccccc1Cl ZINC000022075025 212277302 /nfs/dbraw/zinc/27/73/02/212277302.db2.gz PDOOEEMXHIUEDK-UHFFFAOYSA-N 1 0 346.902 4.350 40 0 EIABRO CC[NH+](CC)CCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000022075794 212277211 /nfs/dbraw/zinc/27/72/11/212277211.db2.gz NIDMRNKIDPGUOU-UHFFFAOYSA-N 1 0 346.902 4.350 40 0 EIABRO CC1CC[NH+](Cc2ccc(C(=O)NCCSC(C)(C)C)cc2)CC1 ZINC000020483302 212136757 /nfs/dbraw/zinc/13/67/57/212136757.db2.gz OSDHDGDMROIGLY-UHFFFAOYSA-N 1 0 348.556 4.180 40 0 EIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCCC(C)(C)C3)cc2)C1 ZINC000020452437 212131179 /nfs/dbraw/zinc/13/11/79/212131179.db2.gz FSZNSLQDCUQITK-QGZVFWFLSA-N 1 0 328.500 4.181 40 0 EIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSC(C)(C)C)cc2)C1 ZINC000020451743 212130842 /nfs/dbraw/zinc/13/08/42/212130842.db2.gz JYMUZOFKFKIYOE-INIZCTEOSA-N 1 0 348.556 4.180 40 0 EIABRO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1C ZINC000019557994 212043061 /nfs/dbraw/zinc/04/30/61/212043061.db2.gz NZLOJSREOAMBFI-SFHVURJKSA-N 1 0 336.439 4.409 40 0 EIABRO CCOc1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(C)no2)ccc1O ZINC000019531846 212039826 /nfs/dbraw/zinc/03/98/26/212039826.db2.gz SRZGRVYPWLKLJB-MRXNPFEDSA-N 1 0 330.428 4.205 40 0 EIABRO CC(C)Oc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccn(C)n2)cc1 ZINC000019450654 212028671 /nfs/dbraw/zinc/02/86/71/212028671.db2.gz QKPGOGQPHZOTLF-HXUWFJFHSA-N 1 0 327.472 4.325 40 0 EIABRO Clc1ccccc1C[N@@H+]1CC[C@H](c2nc(-c3cccs3)no2)C1 ZINC000019348836 212019181 /nfs/dbraw/zinc/01/91/81/212019181.db2.gz QXEGMPFEMDUOAO-ZDUSSCGKSA-N 1 0 345.855 4.441 40 0 EIABRO Cn1nc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c2cccnc21 ZINC000019289491 212011371 /nfs/dbraw/zinc/01/13/71/212011371.db2.gz VUKJLVVBLSTSDE-HNNXBMFYSA-N 1 0 340.858 4.001 40 0 EIABRO Cc1[nH+]c([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)c2ccccn12 ZINC000019240668 212008304 /nfs/dbraw/zinc/00/83/04/212008304.db2.gz NQECFMXEILSPFW-INIZCTEOSA-N 1 0 341.405 4.301 40 0 EIABRO CC(C)(C)OC(=O)NC1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000079438855 217224570 /nfs/dbraw/zinc/22/45/70/217224570.db2.gz AJSPRYMULFBUQX-YRNVUSSQSA-N 1 0 330.472 4.079 40 0 EIABRO Cc1c2ccccc2[nH]c1C[NH+]1CCC(O)(c2ccc(C)cc2)CC1 ZINC000012292922 211335087 /nfs/dbraw/zinc/33/50/87/211335087.db2.gz CZRWFLGAEAZKRK-UHFFFAOYSA-N 1 0 334.463 4.268 40 0 EIABRO Cc1ccc(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000012170248 211310985 /nfs/dbraw/zinc/31/09/85/211310985.db2.gz NGLDSLCGXAOBKG-KZNAEPCWSA-N 1 0 333.516 4.010 40 0 EIABRO COc1ccc2cnc(C3CC[NH+](Cc4ccncc4)CC3)cc2c1C ZINC000012222770 211323563 /nfs/dbraw/zinc/32/35/63/211323563.db2.gz WFABWEIPKROLTD-UHFFFAOYSA-N 1 0 347.462 4.326 40 0 EIABRO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063368 211038004 /nfs/dbraw/zinc/03/80/04/211038004.db2.gz GNOLHPXYPDZETK-UHFFFAOYSA-N 1 0 328.843 4.191 40 0 EIABRO O[C@@](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)(c1ccco1)c1ccccc1 ZINC000004934852 210328637 /nfs/dbraw/zinc/32/86/37/210328637.db2.gz UNCNSZQWGTZHQX-BBTUJRGHSA-N 1 0 325.452 4.028 40 0 EIABRO C[NH+]1[C@@H](CC(=O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 ZINC000004787608 210278493 /nfs/dbraw/zinc/27/84/93/210278493.db2.gz IDEMKXUAULKYJV-WOJBJXKFSA-N 1 0 335.447 4.385 40 0 EIABRO Cc1cc(N2CCc3ccccc3C2)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223899 257686831 /nfs/dbraw/zinc/68/68/31/257686831.db2.gz WXPOSGOYNXQWKH-JOCHJYFZSA-N 1 0 329.447 4.001 40 0 EIABRO Brc1ccc(OCc2ccccc2)c(C[NH2+]C2CC2)c1 ZINC000016480499 563812721 /nfs/dbraw/zinc/81/27/21/563812721.db2.gz VEVQXCIFIQOSPB-UHFFFAOYSA-N 1 0 332.241 4.280 40 0 EIABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H](c2nc(C)n3ccccc23)C1 ZINC000019133431 563854329 /nfs/dbraw/zinc/85/43/29/563854329.db2.gz QWPYQCXNDVLZIO-SFHVURJKSA-N 1 0 349.478 4.339 40 0 EIABRO O=C(Nc1ccccc1Cl)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039750848 563900716 /nfs/dbraw/zinc/90/07/16/563900716.db2.gz OVGCMZZLVVHWGL-UHFFFAOYSA-N 1 0 346.833 4.330 40 0 EIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCc4ccccc43)cc2)C1 ZINC000030946973 563911853 /nfs/dbraw/zinc/91/18/53/563911853.db2.gz OGHVABDCWAWUFR-QGZVFWFLSA-N 1 0 334.463 4.121 40 0 EIABRO O[C@@H]1CCCC[C@H]2[C@H]1[C@@H](c1cccc(F)c1)C[N@@H+]2Cc1ccccc1 ZINC000095951709 563977832 /nfs/dbraw/zinc/97/78/32/563977832.db2.gz SETGIDMDBVUFBQ-CIAFKFPVSA-N 1 0 339.454 4.345 40 0 EIABRO Cc1cc(C)c2cc(C[NH2+]Cc3ccccc3Cl)c(=O)[nH]c2c1 ZINC000013998454 563982524 /nfs/dbraw/zinc/98/25/24/563982524.db2.gz OBSKTONNTSBBPY-UHFFFAOYSA-N 1 0 326.827 4.088 40 0 EIABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214443 563984758 /nfs/dbraw/zinc/98/47/58/563984758.db2.gz YXDAZUMCOLEERM-MRXNPFEDSA-N 1 0 333.476 4.390 40 0 EIABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2C)cn1 ZINC000072215088 563985067 /nfs/dbraw/zinc/98/50/67/563985067.db2.gz CLQMIJQJGWZDMN-HOCLYGCPSA-N 1 0 333.476 4.388 40 0 EIABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072215137 563985129 /nfs/dbraw/zinc/98/51/29/563985129.db2.gz XZRSLGYVXSYSAS-ZBFHGGJFSA-N 1 0 333.476 4.436 40 0 EIABRO C[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215487 563985284 /nfs/dbraw/zinc/98/52/84/563985284.db2.gz XMQJTXCRSZMVET-INIZCTEOSA-N 1 0 331.460 4.142 40 0 EIABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000138987226 563999944 /nfs/dbraw/zinc/99/99/44/563999944.db2.gz ZZHXRPSKPPWESU-UHFFFAOYSA-N 1 0 342.870 4.256 40 0 EIABRO Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000009063369 564016617 /nfs/dbraw/zinc/01/66/17/564016617.db2.gz FZKOIDHEFZAAHH-UHFFFAOYSA-N 1 0 342.870 4.499 40 0 EIABRO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000009063457 564016619 /nfs/dbraw/zinc/01/66/19/564016619.db2.gz GFYKGIOMGXROHO-UHFFFAOYSA-N 1 0 340.442 4.293 40 0 EIABRO Cc1ccccc1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063268 564016632 /nfs/dbraw/zinc/01/66/32/564016632.db2.gz FVMHOQHNHLAYQW-UHFFFAOYSA-N 1 0 342.870 4.499 40 0 EIABRO O=C(NCc1cccc2ccccc21)c1ccc(C[NH+]2CCCC2)cc1 ZINC000222855685 564038090 /nfs/dbraw/zinc/03/80/90/564038090.db2.gz GDJKZTIWKHFJHR-UHFFFAOYSA-N 1 0 344.458 4.366 40 0 EIABRO CCCC[C@@H](CC)CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000224525483 564043060 /nfs/dbraw/zinc/04/30/60/564043060.db2.gz GTQVAXCCVNOXPA-GOSISDBHSA-N 1 0 330.516 4.231 40 0 EIABRO O=C(NCC1=CCCCC1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000224532102 564043069 /nfs/dbraw/zinc/04/30/69/564043069.db2.gz WSKWKDZDWRDQMP-UHFFFAOYSA-N 1 0 346.902 4.169 40 0 EIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccc(Cl)cc1 ZINC000225308758 564045809 /nfs/dbraw/zinc/04/58/09/564045809.db2.gz OJZRXOZANNVFQS-GOSISDBHSA-N 1 0 336.907 4.043 40 0 EIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C)cc1C ZINC000225580092 564047961 /nfs/dbraw/zinc/04/79/61/564047961.db2.gz RVUMDRXPASKVEA-QGZVFWFLSA-N 1 0 333.545 4.244 40 0 EIABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2Cc2ccc3ccccc3c2)n1 ZINC000257339261 564055729 /nfs/dbraw/zinc/05/57/29/564055729.db2.gz ZAYXQOHIFZMAJX-OAQYLSRUSA-N 1 0 346.478 4.029 40 0 EIABRO c1coc(CN2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 ZINC000306135273 564062256 /nfs/dbraw/zinc/06/22/56/564062256.db2.gz OMIFSVVIHRKXFR-IBGZPJMESA-N 1 0 344.418 4.326 40 0 EIABRO CCNc1cc(N2CCc3cc(Cl)ccc3C2)nc(C2CC2)[nH+]1 ZINC000328993792 564071335 /nfs/dbraw/zinc/07/13/35/564071335.db2.gz JCCAVHUACRWPMZ-UHFFFAOYSA-N 1 0 328.847 4.002 40 0 EIABRO CCc1cc(N2CCc3ccccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329002908 564071409 /nfs/dbraw/zinc/07/14/09/564071409.db2.gz KKQXOSKUQVOQSB-UHFFFAOYSA-N 1 0 336.483 4.346 40 0 EIABRO CC[C@H](C)Nc1nc(N2Cc3ccccc3C[C@H]2C)cc(C(C)C)[nH+]1 ZINC000329065078 564072070 /nfs/dbraw/zinc/07/20/70/564072070.db2.gz XOVOEEILJICLSS-JKSUJKDBSA-N 1 0 338.499 4.184 40 0 EIABRO Cc1ccc(OC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c(C(C)(C)C)c1 ZINC000027531043 564085741 /nfs/dbraw/zinc/08/57/41/564085741.db2.gz JLKSJXCQCJQNRN-FGTMMUONSA-N 1 0 333.516 4.295 40 0 EIABRO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000010365704 564127799 /nfs/dbraw/zinc/12/77/99/564127799.db2.gz GFAGZTXFTLIZFL-UHFFFAOYSA-N 1 0 328.843 4.497 40 0 EIABRO CC(C)[NH2+]C[C@H](COc1cccc2ccccc21)OC(=O)C(C)(C)C ZINC000003118617 564155253 /nfs/dbraw/zinc/15/52/53/564155253.db2.gz SLLKYDIVPRYTBW-QGZVFWFLSA-N 1 0 343.467 4.175 40 0 EIABRO c1nc(Nc2cc([C@H]3CCC[NH2+]C3)ccn2)sc1-c1ccccc1 ZINC000143122668 564173791 /nfs/dbraw/zinc/17/37/91/564173791.db2.gz VVGGDIDRIOAUDO-INIZCTEOSA-N 1 0 336.464 4.416 40 0 EIABRO COc1ccccc1-c1nnc([C@H]2CC[N@H+](CC3CCCCC3)C2)o1 ZINC000049170001 213991636 /nfs/dbraw/zinc/99/16/36/213991636.db2.gz FWENXASEACQDQK-INIZCTEOSA-N 1 0 341.455 4.115 40 0 biogenic,in-vitro EIABRO CC1(C)[C@H](Cc2cc(-c3ccccc3)on2)C[C@@H]1[NH2+]C1CCOCC1 ZINC000067889905 215242033 /nfs/dbraw/zinc/24/20/33/215242033.db2.gz DEEKSOTZDQQPIM-UZLBHIALSA-N 1 0 340.467 4.067 40 0 biogenic,in-vitro EIABRO Cn1cc(C[N@H+](Cc2ccccc2)[C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000068605829 215322482 /nfs/dbraw/zinc/32/24/82/215322482.db2.gz OUXWLMCCCZTPEC-PKTZIBPZSA-N 1 0 348.490 4.484 40 0 EIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC000039767587 213242889 /nfs/dbraw/zinc/24/28/89/213242889.db2.gz SHDGKGKPUQLYNL-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO O=C(Nc1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038849293 213228372 /nfs/dbraw/zinc/22/83/72/213228372.db2.gz ZTQDZRSXUYUNCI-OAHLLOKOSA-N 1 0 346.833 4.330 40 0 EIABRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000038849658 213228560 /nfs/dbraw/zinc/22/85/60/213228560.db2.gz SVLYJLYCQVQRKV-QGZVFWFLSA-N 1 0 342.870 4.499 40 0 EIABRO CC[C@@H]1C[N@H+](CCCc2ccc(COc3ccccc3)cc2)CCO1 ZINC000038792279 213227033 /nfs/dbraw/zinc/22/70/33/213227033.db2.gz RRLSRCWBXFIFHP-OAQYLSRUSA-N 1 0 339.479 4.309 40 0 EIABRO Cc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4cn(C)c5ccccc45)C3)nc2c1 ZINC000035446579 213028581 /nfs/dbraw/zinc/02/85/81/213028581.db2.gz IOJBLSCRJBHMJT-INIZCTEOSA-N 1 0 344.462 4.353 40 0 biogenic,in-vitro EIABRO Cc1ccc(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c(C(C)(C)C)c1 ZINC000035022934 213005301 /nfs/dbraw/zinc/00/53/01/213005301.db2.gz JLKSJXCQCJQNRN-KSZLIROESA-N 1 0 333.516 4.295 40 0 EIABRO Fc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000072358575 216165348 /nfs/dbraw/zinc/16/53/48/216165348.db2.gz FEWNBQXSSHAZST-GOSISDBHSA-N 1 0 348.425 4.057 40 0 EIABRO c1cn(-c2cccc([C@@H]3CCC[N@H+]3Cc3ccc4[nH]ccc4c3)n2)cn1 ZINC000072355500 216163595 /nfs/dbraw/zinc/16/35/95/216163595.db2.gz FCDMQUZWUBPCCO-FQEVSTJZSA-N 1 0 343.434 4.086 40 0 EIABRO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccco2)n1 ZINC000072366751 216171990 /nfs/dbraw/zinc/17/19/90/216171990.db2.gz MHQCXMYZJXQRCY-GOSISDBHSA-N 1 0 336.439 4.321 40 0 EIABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4ccccc4)no3)C2)cc1F ZINC000072369832 216177099 /nfs/dbraw/zinc/17/70/99/216177099.db2.gz WFXGJIZWTOSDIT-HNNXBMFYSA-N 1 0 341.361 4.004 40 0 EIABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072379143 216180338 /nfs/dbraw/zinc/18/03/38/216180338.db2.gz DCPGEWMQOIZPSS-QGZVFWFLSA-N 1 0 338.499 4.342 40 0 EIABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4ccc(C)cc4)C3)n2)c1 ZINC000072369866 216177596 /nfs/dbraw/zinc/17/75/96/216177596.db2.gz DHDWGTMSHGPINJ-GOSISDBHSA-N 1 0 349.434 4.043 40 0 EIABRO COc1cccc([C@@]2(O)CCCC[C@@H]2C[N@H+](C)Cc2ccccc2)c1 ZINC000022050978 212273992 /nfs/dbraw/zinc/27/39/92/212273992.db2.gz BDLHYNRDCFWMAA-IRLDBZIGSA-N 1 0 339.479 4.205 40 0 in-vitro EIABRO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(NC(=O)C(C)(C)C)cc2)C1 ZINC000225592314 241940632 /nfs/dbraw/zinc/94/06/32/241940632.db2.gz LLKULEUXVSKDPL-HZPDHXFCSA-N 1 0 332.488 4.028 40 0 EIABRO O=C(c1ccccc1Cl)N1CC[C@@H]2[C@H](C1)CCCC[N@@H+]2CC1CC1 ZINC000257203447 244125911 /nfs/dbraw/zinc/12/59/11/244125911.db2.gz AQCKYOVHKOQCEI-QFBILLFUSA-N 1 0 346.902 4.067 40 0 EIABRO O=C(c1ccc(Cl)cc1)N1CCC[C@@H]2[C@H]1CCCC[N@@H+]2CC1CC1 ZINC000257212134 244153332 /nfs/dbraw/zinc/15/33/32/244153332.db2.gz CCBNDZPONBRHHO-RTBURBONSA-N 1 0 346.902 4.209 40 0 EIABRO Cc1ccccc1-c1noc([C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000257261989 244349798 /nfs/dbraw/zinc/34/97/98/244349798.db2.gz LJOBWAGTQBWDSD-MRXNPFEDSA-N 1 0 337.398 4.174 40 0 EIABRO CCCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)no1 ZINC000019525172 212037596 /nfs/dbraw/zinc/03/75/96/212037596.db2.gz KHPMWVMRQGIXCM-QFBILLFUSA-N 1 0 328.456 4.273 40 0 EIABRO Fc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccs4)no3)C2)cc1F ZINC000019344670 212017609 /nfs/dbraw/zinc/01/76/09/212017609.db2.gz UWQYDPYZLVOKHK-GFCCVEGCSA-N 1 0 347.390 4.066 40 0 EIABRO COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2ccncc2C)cc1 ZINC000019239554 212009123 /nfs/dbraw/zinc/00/91/23/212009123.db2.gz WHHIBUCIOMXLPE-LRSLUSHPSA-N 1 0 336.479 4.461 40 0 EIABRO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2CC2CCCCC2)on1 ZINC000019120882 212000870 /nfs/dbraw/zinc/00/08/70/212000870.db2.gz XTZVRHSCAKOCRD-QGZVFWFLSA-N 1 0 328.460 4.480 40 0 EIABRO Clc1ccc(C2([NH2+]Cc3ccnn3[C@H]3CCCCO3)CC2)cc1 ZINC000012361970 211354988 /nfs/dbraw/zinc/35/49/88/211354988.db2.gz BEFFCXPDRSHDRS-QGZVFWFLSA-N 1 0 331.847 4.015 40 0 EIABRO COc1cc2c(cc1C[NH2+]C1(c3ccc(Cl)cc3)CCC1)OCO2 ZINC000012238611 211327925 /nfs/dbraw/zinc/32/79/25/211327925.db2.gz VVAMWLFRYSNRAB-UHFFFAOYSA-N 1 0 345.826 4.246 40 0 EIABRO O=c1oc2ccc(Cl)cc2n1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000012119106 211297992 /nfs/dbraw/zinc/29/79/92/211297992.db2.gz QOUMHGOUPLVFOZ-INIZCTEOSA-N 1 0 342.826 4.085 40 0 EIABRO Cn1cncc1C[NH2+][C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CCCC[C@@H]21 ZINC000012087518 211288234 /nfs/dbraw/zinc/28/82/34/211288234.db2.gz CDJGIYHFOCMFSK-XWSJACJDSA-N 1 0 329.875 4.136 40 0 EIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cl)cc1Cl ZINC000010543014 211180060 /nfs/dbraw/zinc/18/00/60/211180060.db2.gz OABYXKBQJKTLII-AWEZNQCLSA-N 1 0 343.298 4.378 40 0 EIABRO CC[C@H](C)Oc1c(C)cc(-c2noc([C@H]3CCCC[NH2+]3)n2)cc1C ZINC000095095408 218281048 /nfs/dbraw/zinc/28/10/48/218281048.db2.gz IRVKKEOAJDSQOD-GOEBONIOSA-N 1 0 329.444 4.345 40 0 EIABRO CC[C@@H](COC(=O)c1ccc(N(CC)CC)cc1)[NH2+]C1CCCCC1 ZINC000005846113 210547404 /nfs/dbraw/zinc/54/74/04/210547404.db2.gz PLQKKAZRAIJJLE-SFHVURJKSA-N 1 0 346.515 4.391 40 0 EIABRO Cc1cc(/C=C\c2ccc3ccccc3[n+]2C)c(O)c2ncccc12 ZINC000004900398 210315995 /nfs/dbraw/zinc/31/59/95/210315995.db2.gz XYXWONIIBOFXMZ-UHFFFAOYSA-O 1 0 327.407 4.397 40 0 EIABRO Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CC2)c1C ZINC000004857030 210302774 /nfs/dbraw/zinc/30/27/74/210302774.db2.gz FOZXPCHROMNVJF-ZNXRZULTSA-N 1 0 343.540 4.138 40 0 EIABRO C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC(=O)[C@]56C[C@H]5CC[C@]6(C)[C@H]4CC[C@]23C[N@@H+]1C ZINC000118936472 221206443 /nfs/dbraw/zinc/20/64/43/221206443.db2.gz PBPLSRQRDBOFMK-YJLMOEKASA-N 1 0 327.512 4.138 40 0 EIABRO CCCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000006593407 257866393 /nfs/dbraw/zinc/86/63/93/257866393.db2.gz NNOVCLJWSDDZKU-UHFFFAOYSA-N 1 0 338.451 4.324 40 0 EIABRO O=C(Nc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039758206 257854959 /nfs/dbraw/zinc/85/49/59/257854959.db2.gz GZCWEWFDDYCNBU-UHFFFAOYSA-N 1 0 328.843 4.191 40 0 EIABRO C[N@H+]1[C@H]2C=C(N(CCc3ccccc3)C(=O)c3ccccc3)C[C@@H]1CC2 ZINC000001198943 563378836 /nfs/dbraw/zinc/37/88/36/563378836.db2.gz HGGDJEQUDXEESF-RTWAWAEBSA-N 1 0 346.474 4.122 40 0 EIABRO CC[C@@H](COC(=O)c1ccc(N)cc1)[NH2+]C(CC(C)C)CC(C)C ZINC000001842477 563414258 /nfs/dbraw/zinc/41/42/58/563414258.db2.gz MQFAYMWEAATWGL-SFHVURJKSA-N 1 0 334.504 4.255 40 0 EIABRO CCCCOc1ccc2[nH]c(C)c(C[NH+]3CCCCCC3)c(=O)c2c1 ZINC000001918195 563416484 /nfs/dbraw/zinc/41/64/84/563416484.db2.gz DTLAPRXCQWWAAC-UHFFFAOYSA-N 1 0 342.483 4.391 40 0 EIABRO C[C@]1(C[NH+]2CCCCC2)COc2c(Cl)cc(Cl)cc2C1=O ZINC000005618502 563543340 /nfs/dbraw/zinc/54/33/40/563543340.db2.gz YGBVBZDKRPFWNT-INIZCTEOSA-N 1 0 328.239 4.061 40 0 EIABRO Cc1cc(N)c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc2[nH+]1 ZINC000013123398 563689270 /nfs/dbraw/zinc/68/92/70/563689270.db2.gz MLKVGBZASWPPOU-RMKNXTFCSA-N 1 0 337.810 4.431 40 0 EIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N(C)C3CCCCC3)cc2)C1 ZINC000030863012 563911281 /nfs/dbraw/zinc/91/12/81/563911281.db2.gz ULRHPNGYGPCTBF-QGZVFWFLSA-N 1 0 328.500 4.323 40 0 EIABRO CC(C)OCCC[N@H+](Cc1ccncc1)Cc1cccc2cccnc21 ZINC000057797109 563935964 /nfs/dbraw/zinc/93/59/64/563935964.db2.gz HGCWHUFPKINJBP-UHFFFAOYSA-N 1 0 349.478 4.447 40 0 EIABRO CC(C)c1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1 ZINC000061247032 563950486 /nfs/dbraw/zinc/95/04/86/563950486.db2.gz GNQMIMDGZJTMLS-UHFFFAOYSA-N 1 0 333.545 4.363 40 0 EIABRO CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccc(C)cc2)CC1 ZINC000585100669 563971431 /nfs/dbraw/zinc/97/14/31/563971431.db2.gz SEHFUANSXMCKPL-WIYYLYMNSA-N 1 0 328.500 4.141 40 0 EIABRO FC1(F)CC[N@H+](Cc2ccoc2)C[C@@]12CCN(c1ccccc1)C2 ZINC000096051098 563978546 /nfs/dbraw/zinc/97/85/46/563978546.db2.gz UJXYWASZNRCNOC-GOSISDBHSA-N 1 0 332.394 4.017 40 0 EIABRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)o1 ZINC000096057050 563978798 /nfs/dbraw/zinc/97/87/98/563978798.db2.gz WRVXBSFJSCWAGD-LEWJYISDSA-N 1 0 347.499 4.166 40 0 EIABRO Fc1ccccc1CN1CCC[C@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000096214670 563980191 /nfs/dbraw/zinc/98/01/91/563980191.db2.gz RABOQESUFAVGDN-QFIPXVFZSA-N 1 0 338.470 4.456 40 0 EIABRO c1ccc(Nc2ccc3nc(C4CC[NH+](CC5CC5)CC4)nn3c2)cc1 ZINC000096267314 563980652 /nfs/dbraw/zinc/98/06/52/563980652.db2.gz VQYKCULACJZXFO-UHFFFAOYSA-N 1 0 347.466 4.062 40 0 EIABRO Cn1cnc2c1cc(C1CC[NH+](CC3CC3)CC1)nc2-c1ccccc1 ZINC000096267109 563980672 /nfs/dbraw/zinc/98/06/72/563980672.db2.gz RMAPPYVJPJAREN-UHFFFAOYSA-N 1 0 346.478 4.225 40 0 EIABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214459 563984792 /nfs/dbraw/zinc/98/47/92/563984792.db2.gz BSWGDKWDLUSTNH-INIZCTEOSA-N 1 0 333.476 4.388 40 0 EIABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1C ZINC000072214753 563984892 /nfs/dbraw/zinc/98/48/92/563984892.db2.gz NHTXZKJFSZAGEN-MRXNPFEDSA-N 1 0 333.476 4.390 40 0 EIABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1CC ZINC000072214730 563984938 /nfs/dbraw/zinc/98/49/38/563984938.db2.gz OVTMXNYCYGBANP-MRXNPFEDSA-N 1 0 333.476 4.390 40 0 EIABRO CC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214910 563985012 /nfs/dbraw/zinc/98/50/12/563985012.db2.gz HYMMMBSFKDMJPS-INIZCTEOSA-N 1 0 333.476 4.388 40 0 EIABRO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1C ZINC000072214933 563985075 /nfs/dbraw/zinc/98/50/75/563985075.db2.gz WRXVFDZRHWSHEO-MRXNPFEDSA-N 1 0 333.476 4.388 40 0 EIABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2C)cn1 ZINC000072215090 563985081 /nfs/dbraw/zinc/98/50/81/563985081.db2.gz CLQMIJQJGWZDMN-GOEBONIOSA-N 1 0 333.476 4.388 40 0 EIABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1C ZINC000072215202 563985170 /nfs/dbraw/zinc/98/51/70/563985170.db2.gz DSBYWWZDGQDTFM-GOEBONIOSA-N 1 0 333.476 4.388 40 0 EIABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4cccc(C)c4)C3)n2)c1 ZINC000072369885 563991004 /nfs/dbraw/zinc/99/10/04/563991004.db2.gz DXFKRDRMNJXDPX-SFHVURJKSA-N 1 0 349.434 4.043 40 0 EIABRO Cc1cc2c(cc1C)CN(CC(=O)Nc1ccc3ccccc3c1)C2 ZINC000008367563 563997640 /nfs/dbraw/zinc/99/76/40/563997640.db2.gz HHNIBZYDGXNSFO-UHFFFAOYSA-N 1 0 330.431 4.411 40 0 EIABRO Cc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063458 564016600 /nfs/dbraw/zinc/01/66/00/564016600.db2.gz SSIAEVFAYBTNPQ-UHFFFAOYSA-N 1 0 340.442 4.293 40 0 EIABRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063293 564016638 /nfs/dbraw/zinc/01/66/38/564016638.db2.gz AWOOLVXVCYLUMF-UHFFFAOYSA-N 1 0 346.833 4.330 40 0 EIABRO O=C(NCCCc1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010110337 564017072 /nfs/dbraw/zinc/01/70/72/564017072.db2.gz CAWZPYPODLBAPS-UHFFFAOYSA-N 1 0 336.479 4.035 40 0 EIABRO CC[C@H]1c2ccsc2CCN1Cc1cc2c(cc1OC)OCCO2 ZINC000014000102 564020894 /nfs/dbraw/zinc/02/08/94/564020894.db2.gz TUFSCPJVFPQAKL-HNNXBMFYSA-N 1 0 345.464 4.037 40 0 EIABRO c1ccc(-c2cc(-c3ccccc3)o/c(=N/[n+]3ccccc3)c2)cc1 ZINC000005490913 564032401 /nfs/dbraw/zinc/03/24/01/564032401.db2.gz JPSLMERLZKGJGL-GHVJWSGMSA-N 1 0 325.391 4.265 40 0 EIABRO c1ccc(CCC[N@@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000049169327 564032580 /nfs/dbraw/zinc/03/25/80/564032580.db2.gz IYNNDDMHNSLUNS-IBGZPJMESA-N 1 0 333.435 4.159 40 0 biogenic,in-vitro EIABRO Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1C ZINC000224699976 564043522 /nfs/dbraw/zinc/04/35/22/564043522.db2.gz XRBUPGMGCBGQHI-UHFFFAOYSA-N 1 0 336.479 4.219 40 0 EIABRO Clc1ccc(Oc2ccccc2)c2nccc(N3CC[NH2+]CC3)c12 ZINC000225321818 564045953 /nfs/dbraw/zinc/04/59/53/564045953.db2.gz RJAHSWBCOVELQP-UHFFFAOYSA-N 1 0 339.826 4.090 40 0 EIABRO Cc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C ZINC000225507108 564047359 /nfs/dbraw/zinc/04/73/59/564047359.db2.gz QZKLDIMXMADCFH-UHFFFAOYSA-N 1 0 338.451 4.029 40 0 EIABRO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc(NC(=O)C(C)(C)C)cc2)C1 ZINC000225592379 564048097 /nfs/dbraw/zinc/04/80/97/564048097.db2.gz LLKULEUXVSKDPL-HOTGVXAUSA-N 1 0 332.488 4.028 40 0 EIABRO COc1ccccc1C[N@@H+]1CC[C@@H](c2nc(-c3ccccc3C)no2)C1 ZINC000257329001 564055525 /nfs/dbraw/zinc/05/55/25/564055525.db2.gz XHYVPOFZRZOPQE-QGZVFWFLSA-N 1 0 349.434 4.043 40 0 EIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3Cl)CC2)c1 ZINC000009062995 564127623 /nfs/dbraw/zinc/12/76/23/564127623.db2.gz QQXIIHCGVJGWNP-UHFFFAOYSA-N 1 0 342.870 4.499 40 0 EIABRO CC1(C)CC[N@H+](CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C1 ZINC000004404522 210187033 /nfs/dbraw/zinc/18/70/33/210187033.db2.gz FVTFMKWTHZZTJA-PMACEKPBSA-N 1 0 341.495 4.402 40 0 EIABRO CCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000039757471 213242084 /nfs/dbraw/zinc/24/20/84/213242084.db2.gz VGTNLWUHQPDWPE-UHFFFAOYSA-N 1 0 340.442 4.239 40 0 EIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3F)cc2)C1 ZINC000038849264 213228978 /nfs/dbraw/zinc/22/89/78/213228978.db2.gz MBHGDAQDYBWGNQ-OAHLLOKOSA-N 1 0 326.415 4.310 40 0 EIABRO COc1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038835095 213228494 /nfs/dbraw/zinc/22/84/94/213228494.db2.gz ZQYKJOBQKQFKJQ-UHFFFAOYSA-N 1 0 338.451 4.324 40 0 EIABRO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038852418 213228221 /nfs/dbraw/zinc/22/82/21/213228221.db2.gz CBBMOHQBZVOUKQ-IBGZPJMESA-N 1 0 344.474 4.044 40 0 EIABRO CCOc1ccc2[nH]c(C)c(C[NH+](CC(C)C)CC(C)C)c(=O)c2c1 ZINC000000948993 209695587 /nfs/dbraw/zinc/69/55/87/209695587.db2.gz HLVRLOZEYFWDEC-UHFFFAOYSA-N 1 0 344.499 4.349 40 0 EIABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000037530281 213154703 /nfs/dbraw/zinc/15/47/03/213154703.db2.gz ZKGHLKYIPSVZNW-VBSBHUPXSA-N 1 0 325.537 4.089 40 0 EIABRO COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4cccc(Cl)c4)C3)nc2c1 ZINC000035446738 213028122 /nfs/dbraw/zinc/02/81/22/213028122.db2.gz BUAMBZAEJUGOAF-AWEZNQCLSA-N 1 0 341.842 4.214 40 0 biogenic,in-vitro EIABRO Fc1cccc(-c2cncc(C3CC[NH+](C4CCCC4)CC3)n2)c1 ZINC000072359258 216165378 /nfs/dbraw/zinc/16/53/78/216165378.db2.gz NDXSPTJXWZZSMP-UHFFFAOYSA-N 1 0 325.431 4.405 40 0 EIABRO OCc1ccc(-c2cccc([C@@H]3CCC[N@@H+](C4CCCC4)C3)n2)cc1 ZINC000072348535 216161191 /nfs/dbraw/zinc/16/11/91/216161191.db2.gz JXQWRCSXFVGUIB-LJQANCHMSA-N 1 0 336.479 4.363 40 0 EIABRO Cc1cccnc1Nc1cncc([C@@H]2CCC[N@H+](CC(C)(C)C)C2)n1 ZINC000072354332 216161821 /nfs/dbraw/zinc/16/18/21/216161821.db2.gz AZKPTBOXKZUMTL-MRXNPFEDSA-N 1 0 339.487 4.149 40 0 EIABRO COc1ccc(-c2noc([C@@H]3CC[N@H+](Cc4ccc(C)cc4)C3)n2)cc1 ZINC000072369920 216177368 /nfs/dbraw/zinc/17/73/68/216177368.db2.gz QRJOOWAONKNQRP-GOSISDBHSA-N 1 0 349.434 4.043 40 0 EIABRO Cc1ccc(Nc2nccc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)nc1 ZINC000072377358 216178641 /nfs/dbraw/zinc/17/86/41/216178641.db2.gz DZRSPYJIVNKOLB-IBGZPJMESA-N 1 0 345.450 4.261 40 0 EIABRO C[N@H+](Cc1c2cccnc2[nH]c1C1CCOCC1)Cc1ccccc1 ZINC000072394984 216193010 /nfs/dbraw/zinc/19/30/10/216193010.db2.gz GINXJZNQGSNFKB-UHFFFAOYSA-N 1 0 335.451 4.089 40 0 EIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccccc1Cl ZINC000022913910 212333168 /nfs/dbraw/zinc/33/31/68/212333168.db2.gz DKKSYURPWQPRFH-IBGZPJMESA-N 1 0 343.902 4.222 40 0 EIABRO COc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccccc1F ZINC000022074744 212275616 /nfs/dbraw/zinc/27/56/16/212275616.db2.gz AHQKEYWANVOFRW-UHFFFAOYSA-N 1 0 328.214 4.473 40 0 EIABRO Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c(C)c1 ZINC000224699908 241774154 /nfs/dbraw/zinc/77/41/54/241774154.db2.gz UGZIHOCWPYPSQI-UHFFFAOYSA-N 1 0 336.479 4.219 40 0 EIABRO CCC[n+]1cc(Br)cc(-c2nc3ccc(C)cc3o2)c1 ZINC000226774700 242114041 /nfs/dbraw/zinc/11/40/41/242114041.db2.gz MOOTWQQCLMIRSH-UHFFFAOYSA-N 1 0 332.221 4.263 40 0 EIABRO Cc1ccccc1Nc1cc(-c2ccccc2)nc(NCC[NH+](C)C)n1 ZINC000243280297 243025229 /nfs/dbraw/zinc/02/52/29/243025229.db2.gz LACCJUYOYYPICV-UHFFFAOYSA-N 1 0 347.466 4.169 40 0 EIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cccc(F)c3)cc2)C1 ZINC000020493114 212139135 /nfs/dbraw/zinc/13/91/35/212139135.db2.gz JZSIKLOTVNKZHS-HNNXBMFYSA-N 1 0 326.415 4.310 40 0 EIABRO C[N@H+](Cc1c2ncccc2[nH]c1-c1cccnc1)Cc1ccccc1 ZINC000019717972 212057233 /nfs/dbraw/zinc/05/72/33/212057233.db2.gz CFRWYJLRSRMEKQ-UHFFFAOYSA-N 1 0 328.419 4.257 40 0 EIABRO O=C(CC1CCCC1)N1CCCC[C@H]2[NH2+]CC[C@H](c3ccccc3)[C@H]21 ZINC000019373904 212024191 /nfs/dbraw/zinc/02/41/91/212024191.db2.gz JHAWHFDZFIGEJR-KCZVDYSFSA-N 1 0 340.511 4.094 40 0 EIABRO Fc1ccc(CN2C[C@H]3C[C@@H](c4cccs4)[N@@H+]4CCC[C@@]34C2)cc1 ZINC000019343097 212018391 /nfs/dbraw/zinc/01/83/91/212018391.db2.gz PACOWZUQYBZXCZ-IMFGXOCKSA-N 1 0 342.483 4.299 40 0 EIABRO Cn1nc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c2cccnc21 ZINC000019289490 212011388 /nfs/dbraw/zinc/01/13/88/212011388.db2.gz VUKJLVVBLSTSDE-OAHLLOKOSA-N 1 0 340.858 4.001 40 0 EIABRO COc1ccc(OC)c(C[N@@H+]2CCCCC[C@H]2c2cc(C)no2)c1 ZINC000019120235 212000887 /nfs/dbraw/zinc/00/08/87/212000887.db2.gz PWUVLLMKVCZKJN-KRWDZBQOSA-N 1 0 330.428 4.118 40 0 EIABRO S=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1ccccc1 ZINC000018945244 211996595 /nfs/dbraw/zinc/99/65/95/211996595.db2.gz NKCATLDAUHJXOK-UHFFFAOYSA-N 1 0 339.508 4.159 40 0 EIABRO Cc1c2ccccc2[nH]c1C[NH+]1CCC(O)(c2cccc(C)c2)CC1 ZINC000012328497 211349778 /nfs/dbraw/zinc/34/97/78/211349778.db2.gz OGUJIWPOEJZGGN-UHFFFAOYSA-N 1 0 334.463 4.268 40 0 EIABRO Cc1ccc(C2(O)CC[NH+](Cc3ccc4ncccc4c3)CC2)cc1 ZINC000012292784 211335443 /nfs/dbraw/zinc/33/54/43/211335443.db2.gz KYPONSNULWYLPQ-UHFFFAOYSA-N 1 0 332.447 4.027 40 0 EIABRO CCCC[NH2+]Cc1cc(Br)c(OCC)c(OCC)c1 ZINC000007261623 210776177 /nfs/dbraw/zinc/77/61/77/210776177.db2.gz JXKOCWOZPAOAOU-UHFFFAOYSA-N 1 0 330.266 4.136 40 0 EIABRO CSc1nnc([C@H]2CCC[N@@H+](C3CCC(C)CC3)C2)n1C(C)C ZINC000005001485 210357077 /nfs/dbraw/zinc/35/70/77/210357077.db2.gz BZVRDHDYKKAHQC-PCKAHOCUSA-N 1 0 336.549 4.339 40 0 EIABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccc(SC)cc1)C2 ZINC000004887319 210311557 /nfs/dbraw/zinc/31/15/57/210311557.db2.gz WCAAHOPXHGWTEM-ALOPSCKCSA-N 1 0 347.528 4.326 40 0 EIABRO O[C@@H](C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)c1ccc(Br)cc1 ZINC000004769329 210274382 /nfs/dbraw/zinc/27/43/82/210274382.db2.gz PERIBZNZHZKQGE-COXVUDFISA-N 1 0 338.289 4.137 40 0 EIABRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118926853 221205162 /nfs/dbraw/zinc/20/51/62/221205162.db2.gz KIVXGCJMIWJWBX-GDLCRWSOSA-N 1 0 345.527 4.421 40 0 EIABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214442 257689885 /nfs/dbraw/zinc/68/98/85/257689885.db2.gz ZJHPYRKRGMJRBG-INIZCTEOSA-N 1 0 333.476 4.246 40 0 EIABRO C[C@H](CC[NH+]1CCC(c2[nH]nc3ncccc32)CC1)c1ccccc1 ZINC000012143429 524174360 /nfs/dbraw/zinc/17/43/60/524174360.db2.gz LNRWANQYXLGVOD-MRXNPFEDSA-N 1 0 334.467 4.331 40 0 EIABRO C[C@@H]1CCC[N@H+](CCOC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000001671235 563401626 /nfs/dbraw/zinc/40/16/26/563401626.db2.gz QMIALDKBKMPFPV-GFCCVEGCSA-N 1 0 330.255 4.272 40 0 EIABRO CCC(=O)N(c1ccccc1)C1CC[NH+](CCc2cccs2)CC1 ZINC000000001442 563211383 /nfs/dbraw/zinc/21/13/83/563211383.db2.gz YMRFZDHYDKZXPA-UHFFFAOYSA-N 1 0 342.508 4.198 40 0 in-man EIABRO CC(C)N1CC[NH+]=C1CN1CCCCSc2ccc(Cl)cc21 ZINC000000001250 563211392 /nfs/dbraw/zinc/21/13/92/563211392.db2.gz RZAGBWYFAWQKAE-UHFFFAOYSA-N 1 0 337.920 4.155 40 0 in-man EIABRO C[C@@H]1C[C@H](OC(=O)C(c2ccccc2)c2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000000183898 563255249 /nfs/dbraw/zinc/25/52/49/563255249.db2.gz STYAGPHRIVPVTJ-QKLQHJQFSA-N 1 0 337.463 4.090 40 0 EIABRO CC(C)(C)C1CCC2(CC1)CC[NH+](CCCN1CCOCC1)CC2 ZINC000001581170 563393942 /nfs/dbraw/zinc/39/39/42/563393942.db2.gz WWONWDKFZWLQQV-UHFFFAOYSA-N 1 0 336.564 4.027 40 0 in-vitro EIABRO CC(C)N(C(=O)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1)C(C)C ZINC000001668192 563401352 /nfs/dbraw/zinc/40/13/52/563401352.db2.gz CTLRTOZEKFENLH-UHFFFAOYSA-N 1 0 341.499 4.025 40 0 EIABRO CC[NH+](CC)C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000001687498 563403340 /nfs/dbraw/zinc/40/33/40/563403340.db2.gz XBFAJTKXXAAQQB-GOSISDBHSA-N 1 0 348.284 4.491 40 0 EIABRO COc1cc2cccnc2c(NCCCCC[NH2+][C@H](C)C(C)C)c1 ZINC000001687534 563403986 /nfs/dbraw/zinc/40/39/86/563403986.db2.gz NJMNDZQLXMFXEA-MRXNPFEDSA-N 1 0 329.488 4.460 40 0 EIABRO CCOP(=O)(OCC)O[PH+](N(CC)CC)N(CC)CC ZINC000005453749 563533167 /nfs/dbraw/zinc/53/31/67/563533167.db2.gz SKZRXVHMXKIWOK-UHFFFAOYSA-N 1 0 328.330 4.095 40 0 EIABRO O=C(Nc1ccccc1)O[C@H]1[C@@H]2CC[C@H]1CC[C@@H]2[NH+]1CCCCC1 ZINC000013116608 563688462 /nfs/dbraw/zinc/68/84/62/563688462.db2.gz WALSPJVXZJWMIB-WZGPROSRSA-N 1 0 328.456 4.278 40 0 EIABRO COc1ccc(N(C(=S)/C=C/[NH+](C)C)c2ccc(OC)cc2)cc1 ZINC000016163019 563805083 /nfs/dbraw/zinc/80/50/83/563805083.db2.gz BDTXOAUVWGJRBY-BUHFOSPRSA-N 1 0 342.464 4.245 40 0 EIABRO Clc1ccc(COc2ccc(C[NH2+]C[C@@H]3CCCO3)cc2)cc1 ZINC000016401551 563810449 /nfs/dbraw/zinc/81/04/49/563810449.db2.gz HSQQLSHUKQWREC-IBGZPJMESA-N 1 0 331.843 4.188 40 0 EIABRO Cc1ccc(C)c([C@@H](O)C[NH+]2CCC(Oc3ccccc3F)CC2)c1 ZINC000019132006 563854384 /nfs/dbraw/zinc/85/43/84/563854384.db2.gz VVGFVOYDWHHXLU-FQEVSTJZSA-N 1 0 343.442 4.019 40 0 EIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc(F)cc2)s1 ZINC000043277671 563925533 /nfs/dbraw/zinc/92/55/33/563925533.db2.gz KYSBWFVRQSQXQL-UHFFFAOYSA-N 1 0 343.471 4.485 40 0 EIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccccc2F)s1 ZINC000043277833 563925645 /nfs/dbraw/zinc/92/56/45/563925645.db2.gz VPZIUERSWBFOTC-UHFFFAOYSA-N 1 0 343.471 4.485 40 0 EIABRO CCCC[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccc(C)cc2)CC1 ZINC000585099949 563971407 /nfs/dbraw/zinc/97/14/07/563971407.db2.gz ATXMBVMHOLAAKB-OAQYLSRUSA-N 1 0 328.500 4.142 40 0 EIABRO Cc1ccc(C[NH+]2CCC3(CCC(CC(=O)N(C)C)CC3)CC2)s1 ZINC000096049272 563978421 /nfs/dbraw/zinc/97/84/21/563978421.db2.gz RXSJNVHXVBPDIP-UHFFFAOYSA-N 1 0 348.556 4.307 40 0 EIABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)s1 ZINC000096050866 563978518 /nfs/dbraw/zinc/97/85/18/563978518.db2.gz SMAGSQOPVFRBNK-GOSISDBHSA-N 1 0 346.521 4.055 40 0 EIABRO CC[C@@H](C)C[NH+]1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 ZINC000096155786 563979766 /nfs/dbraw/zinc/97/97/66/563979766.db2.gz ZXLWNXVYKLEHAH-MRXNPFEDSA-N 1 0 349.482 4.017 40 0 EIABRO c1coc(C[NH+]2CCC3(C[C@H](c4cncnc4)c4ccccc43)CC2)c1 ZINC000096241591 563980535 /nfs/dbraw/zinc/98/05/35/563980535.db2.gz IMPHSASMWGPJHS-HXUWFJFHSA-N 1 0 345.446 4.139 40 0 EIABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)s1 ZINC000107728377 563984140 /nfs/dbraw/zinc/98/41/40/563984140.db2.gz UMZTVAXUZKMHBU-MJGOQNOKSA-N 1 0 346.471 4.041 40 0 EIABRO C[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215336 563985224 /nfs/dbraw/zinc/98/52/24/563985224.db2.gz KIYWEFBRPYUKRE-INIZCTEOSA-N 1 0 331.460 4.142 40 0 EIABRO C[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000008377395 564016176 /nfs/dbraw/zinc/01/61/76/564016176.db2.gz YGCGLGWUNGXCLW-UHFFFAOYSA-N 1 0 326.223 4.300 40 0 EIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000009063092 564016552 /nfs/dbraw/zinc/01/65/52/564016552.db2.gz PNMSUJLLMMHXIV-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NC(C(C)C)C(C)C)CC1 ZINC000009062895 564016585 /nfs/dbraw/zinc/01/65/85/564016585.db2.gz XROUBZKMWXOLKR-UHFFFAOYSA-N 1 0 330.516 4.004 40 0 EIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(C)cc3C)CC2)c1 ZINC000009062990 564016587 /nfs/dbraw/zinc/01/65/87/564016587.db2.gz TWQVYFQHGVDTHT-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO C[NH+](C)CCCN(Cc1ccccn1)Cc1cccc2ccccc21 ZINC000013990718 564020809 /nfs/dbraw/zinc/02/08/09/564020809.db2.gz QKOVLBBQQSYJRQ-UHFFFAOYSA-N 1 0 333.479 4.189 40 0 EIABRO Cc1ccc(-c2nnc([C@H]3CC[N@H+](CC4CCCCC4)C3)o2)cc1 ZINC000049169901 564032605 /nfs/dbraw/zinc/03/26/05/564032605.db2.gz KQFQCUDYYHAJAG-SFHVURJKSA-N 1 0 325.456 4.415 40 0 biogenic,in-vitro EIABRO CCn1cc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2N(C)C)c2ccccc21 ZINC000057773706 564035330 /nfs/dbraw/zinc/03/53/30/564035330.db2.gz PLODZXGPMMCGDN-JTHBVZDNSA-N 1 0 347.506 4.191 40 0 EIABRO Cc1cc(C)c(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C ZINC000224805037 564043749 /nfs/dbraw/zinc/04/37/49/564043749.db2.gz BQFLJOSYCDJPNN-UHFFFAOYSA-N 1 0 336.479 4.138 40 0 EIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccc(C)c(C)c1 ZINC000224971161 564044137 /nfs/dbraw/zinc/04/41/37/564044137.db2.gz SIJJPAGGPNMILL-FQEVSTJZSA-N 1 0 330.516 4.007 40 0 EIABRO CC1CC[NH+](CCCOc2ccc(NC(=O)C(C)(C)C)cc2)CC1 ZINC000225592599 564048113 /nfs/dbraw/zinc/04/81/13/564048113.db2.gz FTHUQEQVPBTYEJ-UHFFFAOYSA-N 1 0 332.488 4.172 40 0 EIABRO c1nc2c(n1CC1CC1)C1(CC[NH+](CC3CC3)CC1)Oc1ccccc1-2 ZINC000306129507 564062227 /nfs/dbraw/zinc/06/22/27/564062227.db2.gz IFNRYXCAKQISFM-UHFFFAOYSA-N 1 0 349.478 4.054 40 0 EIABRO CC[C@@H](C)Nc1nc(N2Cc3ccccc3C[C@H]2C)cc(C(C)C)[nH+]1 ZINC000329065077 564072082 /nfs/dbraw/zinc/07/20/82/564072082.db2.gz XOVOEEILJICLSS-HZPDHXFCSA-N 1 0 338.499 4.184 40 0 EIABRO C[N@@H+]1CC[C@H](C(=O)c2ccccn2)[C@@H](CCc2cccc(Cl)c2)C1 ZINC000584577186 564086136 /nfs/dbraw/zinc/08/61/36/564086136.db2.gz BAPXIHGKPWBXOG-WMZOPIPTSA-N 1 0 342.870 4.118 40 0 EIABRO Fc1ccc([C@@H]2C[C@H]3C[N@H+](Cc4cccs4)C[C@]34CCCN24)cc1 ZINC000247519578 564124492 /nfs/dbraw/zinc/12/44/92/564124492.db2.gz KYELLYOWCJKDFN-FFZOFVMBSA-N 1 0 342.483 4.299 40 0 EIABRO c1csc(CN2C[C@@H]3C[C@@H](c4cccs4)[N@@H+]4CCC[C@@]34C2)c1 ZINC000253588854 564124676 /nfs/dbraw/zinc/12/46/76/564124676.db2.gz VZCGSGGZCDERBK-QILLFSRXSA-N 1 0 330.522 4.221 40 0 EIABRO CC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccc(C)cc2)CC1 ZINC000230598098 564133503 /nfs/dbraw/zinc/13/35/03/564133503.db2.gz BBMRIHXVAUNKEV-UHFFFAOYSA-N 1 0 336.479 4.055 40 0 in-vitro EIABRO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C1(c2ccccc2)CCCC1 ZINC000004171231 210138806 /nfs/dbraw/zinc/13/88/06/210138806.db2.gz TVSLBGTUONIWBK-UYAOXDASSA-N 1 0 341.495 4.306 40 0 EIABRO CC[NH+](CC)C[C@@H](C)[C@@H](C)OC(=O)c1ccc(OCC(C)C)cc1 ZINC000002040876 209813977 /nfs/dbraw/zinc/81/39/77/209813977.db2.gz GRALFSQRIBJAHX-IAGOWNOFSA-N 1 0 335.488 4.245 40 0 in-man EIABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000008300473 291006986 /nfs/dbraw/zinc/00/69/86/291006986.db2.gz UJSGPMRFRCTSAX-TXPKVOOTSA-N 1 0 343.515 4.226 40 0 biogenic,in-vitro EIABRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1C ZINC000038833604 213227739 /nfs/dbraw/zinc/22/77/39/213227739.db2.gz YWHHABSVUOUUQC-SFHVURJKSA-N 1 0 340.442 4.293 40 0 EIABRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1C ZINC000038833603 213227808 /nfs/dbraw/zinc/22/78/08/213227808.db2.gz YWHHABSVUOUUQC-GOSISDBHSA-N 1 0 340.442 4.293 40 0 EIABRO O=C(C[NH2+]CCC1=CCCCC1)NC(c1ccccc1)c1ccccc1 ZINC000035311552 213019606 /nfs/dbraw/zinc/01/96/06/213019606.db2.gz NZECZLXIMUOTPT-UHFFFAOYSA-N 1 0 348.490 4.372 40 0 EIABRO Cc1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000072358564 216165389 /nfs/dbraw/zinc/16/53/89/216165389.db2.gz DXSQOAUITVYQKD-FQEVSTJZSA-N 1 0 344.462 4.227 40 0 EIABRO Fc1cccc(-c2cncc(C3CC[NH+](Cc4cccnc4)CC3)n2)c1 ZINC000072359403 216166151 /nfs/dbraw/zinc/16/61/51/216166151.db2.gz CJHFLFRFTIKGNM-UHFFFAOYSA-N 1 0 348.425 4.057 40 0 EIABRO c1cn(-c2cccc([C@H]3CCC[N@H+]3Cc3ccc4[nH]ccc4c3)n2)cn1 ZINC000072355501 216163871 /nfs/dbraw/zinc/16/38/71/216163871.db2.gz FCDMQUZWUBPCCO-HXUWFJFHSA-N 1 0 343.434 4.086 40 0 EIABRO Cc1cccnc1Nc1cncc([C@H]2CCC[N@@H+]2CC(C)(C)C)n1 ZINC000072376266 216179301 /nfs/dbraw/zinc/17/93/01/216179301.db2.gz URLAKFRIAJWJFY-MRXNPFEDSA-N 1 0 325.460 4.107 40 0 EIABRO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072379064 216180888 /nfs/dbraw/zinc/18/08/88/216180888.db2.gz KXTRASNIXGTSOQ-LJQANCHMSA-N 1 0 347.466 4.123 40 0 EIABRO CC[NH+](CC)CCCNc1ncc(-c2ccco2)c(-c2ccco2)n1 ZINC000072396571 216192428 /nfs/dbraw/zinc/19/24/28/216192428.db2.gz DUYVBKBTVWNUEQ-UHFFFAOYSA-N 1 0 340.427 4.140 40 0 EIABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1cccc2c(Cl)cccc12 ZINC000073642320 216404938 /nfs/dbraw/zinc/40/49/38/216404938.db2.gz MMLWFKPGSFASQR-UHFFFAOYSA-N 1 0 349.821 4.155 40 0 EIABRO CCc1cc(Br)cc2cc([C@H](O)C[NH2+]C(C)(C)C)oc21 ZINC000022053009 212273742 /nfs/dbraw/zinc/27/37/42/212273742.db2.gz MXKMWLFIQAWNMD-CYBMUJFWSA-N 1 0 340.261 4.179 40 0 EIABRO O[C@@H]1CCCC[C@@H]2[C@H]1[C@@H](c1cccc(F)c1)C[N@@H+]2Cc1ccccc1 ZINC000218903110 241351193 /nfs/dbraw/zinc/35/11/93/241351193.db2.gz SETGIDMDBVUFBQ-GXRSIYKFSA-N 1 0 339.454 4.345 40 0 EIABRO CC[n+]1cc(Br)cc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000226774862 242115175 /nfs/dbraw/zinc/11/51/75/242115175.db2.gz CWZXJJJZQNHAQG-UHFFFAOYSA-N 1 0 338.612 4.218 40 0 EIABRO Cc1nc(Nc2cccc(C3CC[NH+](CC4CC4)CC3)n2)sc1C ZINC000257240799 244241990 /nfs/dbraw/zinc/24/19/90/244241990.db2.gz HVGLYRMFZCCHQK-UHFFFAOYSA-N 1 0 342.512 4.488 40 0 EIABRO Cc1ccccc1-c1noc([C@@H]2CC[N@H+](Cc3ccsc3)C2)n1 ZINC000257248743 244262313 /nfs/dbraw/zinc/26/23/13/244262313.db2.gz JEZQDUFVHKJUIA-OAHLLOKOSA-N 1 0 325.437 4.096 40 0 EIABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3c(F)cccc3F)cc2)CC1 ZINC000019934011 212086866 /nfs/dbraw/zinc/08/68/66/212086866.db2.gz HDIWWBGBVJTYQH-UHFFFAOYSA-N 1 0 344.405 4.449 40 0 EIABRO Oc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)c2cccnc12 ZINC000019878904 212078835 /nfs/dbraw/zinc/07/88/35/212078835.db2.gz OSUYXBHXTKKQEJ-UHFFFAOYSA-N 1 0 332.447 4.395 40 0 EIABRO CC(C)Nc1n[nH]c2nc([C@@H]3CCC[N@H+](CC(C)(C)C)C3)ccc12 ZINC000019742892 212060018 /nfs/dbraw/zinc/06/00/18/212060018.db2.gz FJRXVPOCGSMFJB-CQSZACIVSA-N 1 0 329.492 4.004 40 0 EIABRO C[N@H+](Cc1c2cccnc2[nH]c1-c1ccc(F)cc1)Cc1ccncc1 ZINC000019586599 212049444 /nfs/dbraw/zinc/04/94/44/212049444.db2.gz AXODNPYTJFXREW-UHFFFAOYSA-N 1 0 346.409 4.396 40 0 EIABRO COc1ccc(-c2cc([C@H]3CC[N@H+](CCc4ccccc4)C3)[nH]n2)cc1 ZINC000019557931 212043044 /nfs/dbraw/zinc/04/30/44/212043044.db2.gz MMDVDXDLOIXJKP-IBGZPJMESA-N 1 0 347.462 4.117 40 0 EIABRO CCc1ncc(C[N@@H+]2CCCC[C@@H]2CCc2ccc(OC)cc2)cn1 ZINC000019523413 212036270 /nfs/dbraw/zinc/03/62/70/212036270.db2.gz JEFFJOLBPXDYTG-LJQANCHMSA-N 1 0 339.483 4.035 40 0 EIABRO Fc1ccc(C[NH+]2CCC(c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000019344874 212020066 /nfs/dbraw/zinc/02/00/66/212020066.db2.gz KQBBNWPOVFZYTE-UHFFFAOYSA-N 1 0 343.427 4.317 40 0 EIABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1 ZINC000019344826 212019709 /nfs/dbraw/zinc/01/97/09/212019709.db2.gz UHTJFKHJBSRYOQ-CQSZACIVSA-N 1 0 343.427 4.317 40 0 EIABRO COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2ccncc2C)cc1 ZINC000019239552 212008818 /nfs/dbraw/zinc/00/88/18/212008818.db2.gz WHHIBUCIOMXLPE-CMOCDZPBSA-N 1 0 336.479 4.461 40 0 EIABRO Cc1ccc(C[NH+]2CCC(c3noc(-c4ccncc4)n3)CC2)cc1C ZINC000019213947 212005443 /nfs/dbraw/zinc/00/54/43/212005443.db2.gz WQMOLPCGCDZGTG-UHFFFAOYSA-N 1 0 348.450 4.128 40 0 EIABRO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000079438726 217225389 /nfs/dbraw/zinc/22/53/89/217225389.db2.gz ONJHQVPXJCESND-NUCSPZLJSA-N 1 0 330.472 4.079 40 0 EIABRO NNc1cc(-c2nc(-c3cc(Cl)ccc3Cl)cs2)cc[nH+]1 ZINC000089263552 217780111 /nfs/dbraw/zinc/78/01/11/217780111.db2.gz KEUHGRKCXQBRAC-UHFFFAOYSA-N 1 0 337.235 4.465 40 0 EIABRO COCCC[N@H+](Cc1ccccn1)CC1(c2ccc(Cl)cc2)CC1 ZINC000012364514 211355387 /nfs/dbraw/zinc/35/53/87/211355387.db2.gz AGWIDBGROWKBLS-UHFFFAOYSA-N 1 0 344.886 4.305 40 0 EIABRO Cc1c(C[N@H+](CCc2ccccc2)Cc2cccs2)cnn1C ZINC000012327074 211349050 /nfs/dbraw/zinc/34/90/50/211349050.db2.gz AEZTXQZSSJJZIF-UHFFFAOYSA-N 1 0 325.481 4.035 40 0 EIABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000009062562 211037832 /nfs/dbraw/zinc/03/78/32/211037832.db2.gz XHZLKAZEKKVLGJ-GOSISDBHSA-N 1 0 336.479 4.084 40 0 EIABRO COc1cc(C[NH2+]C2CCCCCC2)cc(Br)c1OC ZINC000008469806 210954463 /nfs/dbraw/zinc/95/44/63/210954463.db2.gz CIIQERFPTAPXSH-UHFFFAOYSA-N 1 0 342.277 4.279 40 0 EIABRO C[C@H]1C[C@H](OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)CC(C)(C)C1 ZINC000095532677 218433902 /nfs/dbraw/zinc/43/39/02/218433902.db2.gz ZCGOSUPULPBKSS-BBWFWOEESA-N 1 0 327.553 4.383 40 0 EIABRO CCCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1cccc(C)c1)C2 ZINC000004888104 210313018 /nfs/dbraw/zinc/31/30/18/210313018.db2.gz DZOVUUTXQPFIKA-YQQQUEKLSA-N 1 0 329.488 4.302 40 0 EIABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214620 257688496 /nfs/dbraw/zinc/68/84/96/257688496.db2.gz NHTHFPWXQVJZIU-INIZCTEOSA-N 1 0 333.476 4.390 40 0 EIABRO Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)C[NH2+]Cc1ccccc1 ZINC000057541654 132201026 /nfs/dbraw/zinc/20/10/26/132201026.db2.gz LHSWQSHIKRJTJV-QGZVFWFLSA-N 1 0 336.479 4.404 40 0 EIABRO Cc1nc(N2CCc3ccccc3C2)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224941 518192771 /nfs/dbraw/zinc/19/27/71/518192771.db2.gz NZGOFMISNXKNNU-JOCHJYFZSA-N 1 0 329.447 4.001 40 0 EIABRO CCCC[NH+](CCCC)C[C@H](O)c1cccc(Br)c1 ZINC000001718266 563406868 /nfs/dbraw/zinc/40/68/68/563406868.db2.gz KANSWLPZEXXYHE-INIZCTEOSA-N 1 0 328.294 4.385 40 0 EIABRO CC[NH+](CC)C[C@H](C)[C@H](C)OC(=O)c1ccc(OCC(C)C)cc1 ZINC000002040879 563418987 /nfs/dbraw/zinc/41/89/87/563418987.db2.gz GRALFSQRIBJAHX-IRXDYDNUSA-N 1 0 335.488 4.245 40 0 in-man EIABRO CC[NH+](CC)CCN(C(=S)Nc1ccccc1)c1ccccc1 ZINC000005499376 563535327 /nfs/dbraw/zinc/53/53/27/563535327.db2.gz BRQTXXMLBTVZMR-UHFFFAOYSA-N 1 0 327.497 4.232 40 0 EIABRO C[C@H](O)c1ccc2c(c1)N(CCC[NH+](C)C)c1ccccc1S2 ZINC000006054666 563558387 /nfs/dbraw/zinc/55/83/87/563558387.db2.gz ZIJWCRNUEBJMSQ-AWEZNQCLSA-N 1 0 328.481 4.294 40 0 in-vitro EIABRO C[C@H]1CCCN(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)C1 ZINC000013668828 563708206 /nfs/dbraw/zinc/70/82/06/563708206.db2.gz CFGSGSPULYIXHA-SFHVURJKSA-N 1 0 348.490 4.117 40 0 EIABRO C[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730671 563719379 /nfs/dbraw/zinc/71/93/79/563719379.db2.gz WXSAGEDFSHMUCM-UHFFFAOYSA-N 1 0 345.034 4.191 40 0 EIABRO COc1ccc(C(=O)[C@H](C)C(C)=[NH2+])c(OCc2ccccc2)c1OC ZINC000017020134 563828892 /nfs/dbraw/zinc/82/88/92/563828892.db2.gz GKQGFVVZPBBXNM-CYBMUJFWSA-N 1 0 341.407 4.141 40 0 EIABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000030754126 563910481 /nfs/dbraw/zinc/91/04/81/563910481.db2.gz LQCSHWQWCBKHIX-GOSISDBHSA-N 1 0 336.479 4.472 40 0 EIABRO CC(C)(C)SCCNC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044786542 563926593 /nfs/dbraw/zinc/92/65/93/563926593.db2.gz OFWYLSXZIIBVAL-UHFFFAOYSA-N 1 0 348.556 4.324 40 0 EIABRO Fc1ccc(CN[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)cc2)cc1 ZINC000059201913 563947745 /nfs/dbraw/zinc/94/77/45/563947745.db2.gz QTUZDQRFYDFJHL-WOJBJXKFSA-N 1 0 330.422 4.155 40 0 EIABRO c1csc(C[NH+]2CCC3(C[C@@H](OCc4ccccc4)CO3)CC2)c1 ZINC000096047844 563978372 /nfs/dbraw/zinc/97/83/72/563978372.db2.gz ANXCOKLRNVCGLH-GOSISDBHSA-N 1 0 343.492 4.088 40 0 EIABRO c1csc(C[N@H+]2CC[C@H](OCC3CC3)[C@@H](Cc3ccccc3)C2)n1 ZINC000096110592 563979312 /nfs/dbraw/zinc/97/93/12/563979312.db2.gz JBVKXXFZDUCBCV-OALUTQOASA-N 1 0 342.508 4.003 40 0 EIABRO Cc1cnc(Nc2cccc(C3CC[NH+](CC4CC4)CC3)n2)s1 ZINC000585262713 563980850 /nfs/dbraw/zinc/98/08/50/563980850.db2.gz WKHZFUQQGZYAOC-UHFFFAOYSA-N 1 0 328.485 4.180 40 0 EIABRO COC1(COc2ccc(C)cc2C)CC[NH+](C2CCCCC2)CC1 ZINC000585281214 563981803 /nfs/dbraw/zinc/98/18/03/563981803.db2.gz GYJWQEGQXAYJCX-UHFFFAOYSA-N 1 0 331.500 4.496 40 0 EIABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214516 563984726 /nfs/dbraw/zinc/98/47/26/563984726.db2.gz YNYNIHKBVMZYOX-MRXNPFEDSA-N 1 0 333.476 4.390 40 0 EIABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[NH2+]1 ZINC000072215050 563985023 /nfs/dbraw/zinc/98/50/23/563985023.db2.gz IXJABAUYGIJJIQ-INIZCTEOSA-N 1 0 333.476 4.438 40 0 EIABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215373 563985241 /nfs/dbraw/zinc/98/52/41/563985241.db2.gz WMHBYXPQMFVIFE-MRXNPFEDSA-N 1 0 331.460 4.142 40 0 EIABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000006455778 564006399 /nfs/dbraw/zinc/00/63/99/564006399.db2.gz WCDKJXUJAFXWJF-WFXMLNOXSA-N 1 0 339.479 4.356 40 0 EIABRO Cc1cc(C)cc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000009063559 564016646 /nfs/dbraw/zinc/01/66/46/564016646.db2.gz FSHYWWBZPFJAFN-UHFFFAOYSA-N 1 0 340.442 4.293 40 0 EIABRO COc1ccc(CC[NH2+]Cc2cccc(Cl)c2Cl)cc1OC ZINC000016227448 564024530 /nfs/dbraw/zinc/02/45/30/564024530.db2.gz YDFSMFJJFZTZBK-UHFFFAOYSA-N 1 0 340.250 4.343 40 0 EIABRO C[C@@H](C[C@@]1(c2ccccc2)CCOC(C)(C)C1)[NH2+]C[C@@H]1CCCO1 ZINC000005348061 564031962 /nfs/dbraw/zinc/03/19/62/564031962.db2.gz RTOVSWPWNYKPES-CUWPLCDZSA-N 1 0 331.500 4.061 40 0 EIABRO c1ccc(Cc2nnc([C@H]3CC[N@@H+](CC4CCCCC4)C3)o2)cc1 ZINC000049169815 564032643 /nfs/dbraw/zinc/03/26/43/564032643.db2.gz MUDJOBMGXRGJQC-SFHVURJKSA-N 1 0 325.456 4.030 40 0 biogenic,in-vitro EIABRO Cn1c2ccccc2nc1[C@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000049171211 564032666 /nfs/dbraw/zinc/03/26/66/564032666.db2.gz XZXQQHOTJSWXRX-INIZCTEOSA-N 1 0 331.419 4.309 40 0 biogenic,in-vitro EIABRO CC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCCC1 ZINC000225597207 564048167 /nfs/dbraw/zinc/04/81/67/564048167.db2.gz ARUCAIPHSHWDKU-UHFFFAOYSA-N 1 0 344.499 4.460 40 0 EIABRO CC(C)c1nc(N2CCc3cc(Cl)ccc3C2)cc(NC2CC2)[nH+]1 ZINC000328987089 564071322 /nfs/dbraw/zinc/07/13/22/564071322.db2.gz IAWUYONFZJYDCN-UHFFFAOYSA-N 1 0 342.874 4.390 40 0 EIABRO CC[C@@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)nc(C)[nH+]1 ZINC000329027006 564071705 /nfs/dbraw/zinc/07/17/05/564071705.db2.gz PQAKWOVEDHUTPD-GFCCVEGCSA-N 1 0 330.863 4.212 40 0 EIABRO c1ccc(C[N@H+](Cc2ccncc2)Cc2cccc3nccnc23)cc1 ZINC000013989229 564087282 /nfs/dbraw/zinc/08/72/82/564087282.db2.gz WJCPLOOSNNRVIV-UHFFFAOYSA-N 1 0 340.430 4.227 40 0 EIABRO COc1ccc(OC)c(Nc2cc[nH+]c3cc(OC)c(OC)cc23)c1 ZINC000065005238 564099526 /nfs/dbraw/zinc/09/95/26/564099526.db2.gz VPOCFDMKJLGIAU-UHFFFAOYSA-N 1 0 340.379 4.013 40 0 EIABRO CCCCOc1ccc(Cl)cc1-c1noc([C@H]2CCCC[NH2+]2)n1 ZINC000256052770 564134763 /nfs/dbraw/zinc/13/47/63/564134763.db2.gz OPAQXUSZRRIFGJ-CQSZACIVSA-N 1 0 335.835 4.384 40 0 EIABRO CCc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062815 1023276759 /nfs/dbraw/zinc/27/67/59/1023276759.db2.gz UIZBLKXPGKGJRX-UHFFFAOYSA-N 1 0 336.479 4.408 40 0 EIABRO C[C@H]1C[N@H+](CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C[C@H]1C ZINC000004411207 210189406 /nfs/dbraw/zinc/18/94/06/210189406.db2.gz CZDWKRSKCXMEKV-YHELAOLJSA-N 1 0 341.495 4.258 40 0 EIABRO Cc1ccc(C2(c3ccc(C)c(O)c3C)CC[NH+](C)CC2)c(C)c1O ZINC000001706798 209784836 /nfs/dbraw/zinc/78/48/36/209784836.db2.gz IEBVPYMUUCMJCE-UHFFFAOYSA-N 1 0 339.479 4.343 40 0 in-vitro EIABRO C[NH+](CCOc1ccc(Cl)cc1)CCOc1ccc(Cl)cc1 ZINC000001593125 209765396 /nfs/dbraw/zinc/76/53/96/209765396.db2.gz YIEIQLLNLGZWJS-UHFFFAOYSA-N 1 0 340.250 4.383 40 0 EIABRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039745681 213242500 /nfs/dbraw/zinc/24/25/00/213242500.db2.gz UVNCZBKURRIKDB-UHFFFAOYSA-N 1 0 346.833 4.330 40 0 EIABRO CCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038835314 213228695 /nfs/dbraw/zinc/22/86/95/213228695.db2.gz RPGXWPJBSPQYJA-SFHVURJKSA-N 1 0 340.442 4.239 40 0 EIABRO O=C(Nc1cccc(Cl)c1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038833830 213228438 /nfs/dbraw/zinc/22/84/38/213228438.db2.gz BZAWMIGEMMJFQE-HNNXBMFYSA-N 1 0 346.833 4.330 40 0 EIABRO O=C(Nc1cccc(Cl)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038833809 213228456 /nfs/dbraw/zinc/22/84/56/213228456.db2.gz XGQXFKQBXIEUOU-INIZCTEOSA-N 1 0 328.843 4.191 40 0 EIABRO Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000038772228 213225881 /nfs/dbraw/zinc/22/58/81/213225881.db2.gz RTRFLZRHVVUTLF-UHFFFAOYSA-N 1 0 336.479 4.157 40 0 EIABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COc2ccccc2-c2ccccc2)C1 ZINC000035052960 213005086 /nfs/dbraw/zinc/00/50/86/213005086.db2.gz ABPFCTGMKMWQTL-BJLQDIEVSA-N 1 0 339.479 4.071 40 0 EIABRO COc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000072358322 216165750 /nfs/dbraw/zinc/16/57/50/216165750.db2.gz YLQSTVUJFSGGQS-QGZVFWFLSA-N 1 0 337.467 4.274 40 0 EIABRO Cc1ccccc1-c1cncc(C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000072359425 216166047 /nfs/dbraw/zinc/16/60/47/216166047.db2.gz LHLPJCOBRVPFFC-UHFFFAOYSA-N 1 0 344.462 4.227 40 0 EIABRO Nc1ncc(-c2ccccc2)c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000072376752 216179312 /nfs/dbraw/zinc/17/93/12/216179312.db2.gz IHRLAUPZUQJSGR-FQEVSTJZSA-N 1 0 344.462 4.453 40 0 EIABRO C[N@H+](CCc1ccccc1)Cc1c2cccnc2[nH]c1C1CCOCC1 ZINC000072394983 216192773 /nfs/dbraw/zinc/19/27/73/216192773.db2.gz IJEJYIWOAHRSEG-UHFFFAOYSA-N 1 0 349.478 4.131 40 0 EIABRO COc1ccc2cc(C[NH2+][C@H]3CCN(Cc4ccccc4)C3)ccc2c1 ZINC000023247703 212363438 /nfs/dbraw/zinc/36/34/38/212363438.db2.gz MQPVEGYTPAORFR-QFIPXVFZSA-N 1 0 346.474 4.213 40 0 EIABRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000022531064 212305410 /nfs/dbraw/zinc/30/54/10/212305410.db2.gz JWXQADRPFBUSRO-MSOLQXFVSA-N 1 0 336.479 4.410 40 0 EIABRO CC[n+]1cc(Br)cc(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000226774885 242114267 /nfs/dbraw/zinc/11/42/67/242114267.db2.gz FRXYBOHXOHWJTG-UHFFFAOYSA-N 1 0 332.221 4.182 40 0 EIABRO CC(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)[N@@H+]2Cc1ccccc1 ZINC000257209808 244145294 /nfs/dbraw/zinc/14/52/94/244145294.db2.gz BRYNVFDEQBLTFI-RJGXRXQPSA-N 1 0 348.490 4.403 40 0 EIABRO C[C@@]1(c2ncc(Cc3cccc(F)c3)o2)CCC[N@H+](CC2CC2)C1 ZINC000257242527 244247170 /nfs/dbraw/zinc/24/71/70/244247170.db2.gz ICYUFKKSBBULQQ-HXUWFJFHSA-N 1 0 328.431 4.168 40 0 EIABRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1 ZINC000020111612 212103519 /nfs/dbraw/zinc/10/35/19/212103519.db2.gz DGIMIZYSRAALKA-KRWDZBQOSA-N 1 0 340.467 4.243 40 0 EIABRO Cc1cc(Nc2nccs2)cc([C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000257257004 244285376 /nfs/dbraw/zinc/28/53/76/244285376.db2.gz KNRJJRMCNYBQEG-HNNXBMFYSA-N 1 0 330.501 4.426 40 0 EIABRO c1cn2ccc([C@H]3CCCC[N@H+]3Cc3ccc4ncccc4c3)nc2n1 ZINC000257268226 244367923 /nfs/dbraw/zinc/36/79/23/244367923.db2.gz MKTJJRKGMULBHG-HXUWFJFHSA-N 1 0 343.434 4.005 40 0 EIABRO Cc1cc(C)n(C2CC[NH+](Cc3[nH]c4ccc(C)cc4c3C)CC2)n1 ZINC000019658959 212054451 /nfs/dbraw/zinc/05/44/51/212054451.db2.gz CSNVLQMMWFVRFP-UHFFFAOYSA-N 1 0 336.483 4.435 40 0 EIABRO CC[C@@H](C[NH+]1CCCC1)n1cncc1-c1cnn(C2CCCCC2)c1 ZINC000019654567 212053584 /nfs/dbraw/zinc/05/35/84/212053584.db2.gz KUXRKQHFQUHXAI-SFHVURJKSA-N 1 0 341.503 4.299 40 0 EIABRO C[N@H+](CCc1ccccc1)Cc1c2cccnc2[nH]c1[C@H]1CCCO1 ZINC000019586213 212047305 /nfs/dbraw/zinc/04/73/05/212047305.db2.gz RCBHZACSLJCUJW-LJQANCHMSA-N 1 0 335.451 4.089 40 0 EIABRO CCOc1cc(C[N@@H+]2CCCCC[C@H]2c2cc(C)no2)ccc1O ZINC000019531847 212040100 /nfs/dbraw/zinc/04/01/00/212040100.db2.gz SRZGRVYPWLKLJB-INIZCTEOSA-N 1 0 330.428 4.205 40 0 EIABRO Fc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)cc1F ZINC000019373746 212024402 /nfs/dbraw/zinc/02/44/02/212024402.db2.gz GMTFCNMSXKWXLL-DLBZAZTESA-N 1 0 339.389 4.071 40 0 EIABRO c1csc(C[NH+]2CCC(c3nnc(-c4cccs4)o3)CC2)c1 ZINC000019343419 212018303 /nfs/dbraw/zinc/01/83/03/212018303.db2.gz VBVBJCNXJMCUEG-UHFFFAOYSA-N 1 0 331.466 4.239 40 0 EIABRO Cc1cnc2cc(C3CC[NH+](Cc4cccc(Cl)c4)CC3)[nH]c2n1 ZINC000019239394 212008912 /nfs/dbraw/zinc/00/89/12/212008912.db2.gz BEVBGWDCKVOSRR-UHFFFAOYSA-N 1 0 340.858 4.299 40 0 EIABRO Cc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C(C)(C)C)c1 ZINC000012170258 211310931 /nfs/dbraw/zinc/31/09/31/211310931.db2.gz NGLDSLCGXAOBKG-OKZBNKHCSA-N 1 0 333.516 4.010 40 0 EIABRO O=C(CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(C(F)(F)F)cc1 ZINC000004934817 210328732 /nfs/dbraw/zinc/32/87/32/210328732.db2.gz UNGIRURMSIKRMA-KBPBESRZSA-N 1 0 325.374 4.400 40 0 EIABRO Cc1cc(N2CCc3ccccc3C2)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223900 257686790 /nfs/dbraw/zinc/68/67/90/257686790.db2.gz WXPOSGOYNXQWKH-QFIPXVFZSA-N 1 0 329.447 4.001 40 0 EIABRO C[NH+](C)CCO[C@@](C)(c1ccccc1)c1ccc(Br)cc1 ZINC000002019398 563417878 /nfs/dbraw/zinc/41/78/78/563417878.db2.gz URSRSKSNFPUKGH-SFHVURJKSA-N 1 0 348.284 4.291 40 0 in-man EIABRO COc1cc2cccnc2c(NCC[NH+](CC(C)C)CC(C)C)c1 ZINC000001683572 563403176 /nfs/dbraw/zinc/40/31/76/563403176.db2.gz GUYTUSFKHTZPST-UHFFFAOYSA-N 1 0 329.488 4.269 40 0 EIABRO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccc(Cl)nc1 ZINC000006882545 563590590 /nfs/dbraw/zinc/59/05/90/563590590.db2.gz JIGCNCKDMGOREC-UHFFFAOYSA-N 1 0 334.847 4.211 40 0 EIABRO CC(C)(C)NC(=O)COc1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000006882411 563590617 /nfs/dbraw/zinc/59/06/17/563590617.db2.gz SOUHMNPDMGHXPX-UHFFFAOYSA-N 1 0 346.515 4.183 40 0 EIABRO Cc1ccc(NC(=S)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000007009275 563593442 /nfs/dbraw/zinc/59/34/42/563593442.db2.gz CNDLFFYCAUYDCK-UHFFFAOYSA-N 1 0 339.508 4.077 40 0 EIABRO CC[C@H](CO)[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000008326995 563626769 /nfs/dbraw/zinc/62/67/69/563626769.db2.gz XRVQDIGYBPVKFV-LJQANCHMSA-N 1 0 335.447 4.279 40 0 EIABRO c1coc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000072341589 563966398 /nfs/dbraw/zinc/96/63/98/563966398.db2.gz FCRZKCYWZIJWKU-XZOQPEGZSA-N 1 0 346.474 4.428 40 0 EIABRO CC(C)[N@@H+]1Cc2ccccc2C2(CCN(C(=O)c3ccccc3)CC2)C1 ZINC000585105743 563971585 /nfs/dbraw/zinc/97/15/85/563971585.db2.gz VWECYMJITOKRJO-UHFFFAOYSA-N 1 0 348.490 4.085 40 0 EIABRO O[C@H]1CCCC[C@H]2[C@H]1[C@@H](c1ccccc1F)C[N@@H+]2Cc1ccccc1 ZINC000095951710 563977812 /nfs/dbraw/zinc/97/78/12/563977812.db2.gz IRZZQHFNRRRFMO-RYFAJOAYSA-N 1 0 339.454 4.345 40 0 EIABRO Cc1ccc(CN2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)s1 ZINC000096049315 563978397 /nfs/dbraw/zinc/97/83/97/563978397.db2.gz BRCFZYJYWHOWHW-UHFFFAOYSA-N 1 0 341.524 4.082 40 0 EIABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)o1 ZINC000096057049 563978825 /nfs/dbraw/zinc/97/88/25/563978825.db2.gz WRVXBSFJSCWAGD-NHCUHLMSSA-N 1 0 347.499 4.166 40 0 EIABRO c1cc(-c2ccc3nc(C4CC[NH+](CC5CC5)CC4)nn3c2)cs1 ZINC000096260717 563980605 /nfs/dbraw/zinc/98/06/05/563980605.db2.gz DKOYVDGEUXAFEK-UHFFFAOYSA-N 1 0 338.480 4.047 40 0 EIABRO CCc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccccc3Cl)cc2c1 ZINC000013999254 563982535 /nfs/dbraw/zinc/98/25/35/563982535.db2.gz AWWPWWITKSSFBA-UHFFFAOYSA-N 1 0 326.827 4.034 40 0 EIABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2C)cn1 ZINC000072214963 563985043 /nfs/dbraw/zinc/98/50/43/563985043.db2.gz XPFGMUNPFZGCQG-INIZCTEOSA-N 1 0 333.476 4.390 40 0 EIABRO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000072215604 563985349 /nfs/dbraw/zinc/98/53/49/563985349.db2.gz NTUVCDFJQMBRRA-INIZCTEOSA-N 1 0 331.460 4.190 40 0 EIABRO CCOCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000008253162 564016001 /nfs/dbraw/zinc/01/60/01/564016001.db2.gz QHIBZSUYYICFDC-UHFFFAOYSA-N 1 0 333.859 4.435 40 0 EIABRO O=C(Nc1ccccc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063267 564016629 /nfs/dbraw/zinc/01/66/29/564016629.db2.gz LPSPVZVGKFMDQA-UHFFFAOYSA-N 1 0 328.843 4.191 40 0 EIABRO c1ccc2sc([C@H]3CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)nc2c1 ZINC000049168949 564032553 /nfs/dbraw/zinc/03/25/53/564032553.db2.gz FTTOOMZQNBACIJ-AWEZNQCLSA-N 1 0 338.432 4.015 40 0 biogenic,in-vitro EIABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]CCc3ccccc3)o2)cc1 ZINC000022076220 564034186 /nfs/dbraw/zinc/03/41/86/564034186.db2.gz LSDQICGPCUSBHA-UHFFFAOYSA-N 1 0 349.430 4.456 40 0 EIABRO O=C(NCC1CCCCC1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000224533846 564043083 /nfs/dbraw/zinc/04/30/83/564043083.db2.gz KRDHYHSCKFAGHC-UHFFFAOYSA-N 1 0 348.918 4.249 40 0 EIABRO CC(C)[C@@H](C)NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000225185091 564045317 /nfs/dbraw/zinc/04/53/17/564045317.db2.gz HZEWEJJPURCIII-QGZVFWFLSA-N 1 0 336.479 4.019 40 0 EIABRO C[C@@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(C)CCCC3)cc2)C1 ZINC000225596796 564048161 /nfs/dbraw/zinc/04/81/61/564048161.db2.gz RMXAQTRRXLBZSY-QGZVFWFLSA-N 1 0 344.499 4.316 40 0 EIABRO C[C@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(C)CCCC2)cc1 ZINC000225596904 564048180 /nfs/dbraw/zinc/04/81/80/564048180.db2.gz LVZFBDVPIANBMI-KRWDZBQOSA-N 1 0 344.499 4.459 40 0 EIABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2Cc2ccc3ccccc3c2)n1 ZINC000257339260 564055710 /nfs/dbraw/zinc/05/57/10/564055710.db2.gz ZAYXQOHIFZMAJX-NRFANRHFSA-N 1 0 346.478 4.029 40 0 EIABRO c1coc(C[N@@H+]2Cc3ccccc3[C@@H](c3nccn3CC3CC3)C2)c1 ZINC000306142981 564062396 /nfs/dbraw/zinc/06/23/96/564062396.db2.gz XPSICGNPZHVJLL-FQEVSTJZSA-N 1 0 333.435 4.034 40 0 EIABRO CC(C)Nc1nc(N2Cc3ccccc3C(C)(C)C2)cc(C(C)C)[nH+]1 ZINC000328982842 564071239 /nfs/dbraw/zinc/07/12/39/564071239.db2.gz HCZBQADVTWWXSE-UHFFFAOYSA-N 1 0 338.499 4.140 40 0 EIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3c(F)cccc3F)CC2)c1 ZINC000009063065 564127651 /nfs/dbraw/zinc/12/76/51/564127651.db2.gz ZTMIYXYPYCVMCO-UHFFFAOYSA-N 1 0 344.405 4.124 40 0 EIABRO O=C(Nc1ccc(F)c(Cl)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010357774 564127773 /nfs/dbraw/zinc/12/77/73/564127773.db2.gz QQGNUKMBOMCRAT-UHFFFAOYSA-N 1 0 332.806 4.327 40 0 EIABRO C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCCCN2Cc1cccnc1 ZINC000019713448 564128078 /nfs/dbraw/zinc/12/80/78/564128078.db2.gz ZBZRDHWQKAOLFV-VJBWXMMDSA-N 1 0 349.522 4.190 40 0 EIABRO C[C@@H](C[NH+]1CCCC1)OC(=O)[C@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000004416234 210191277 /nfs/dbraw/zinc/19/12/77/210191277.db2.gz IVQGMURVQGDFDP-YSIASYRMSA-N 1 0 327.468 4.154 40 0 EIABRO C[C@H](COC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1)C[NH+]1CCCC1 ZINC000004410995 210188320 /nfs/dbraw/zinc/18/83/20/210188320.db2.gz LOROOXLFVZBGQW-JBACZVJFSA-N 1 0 341.495 4.402 40 0 EIABRO CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1[NH2+]CC1CC1 ZINC000067890297 215242097 /nfs/dbraw/zinc/24/20/97/215242097.db2.gz FYRHVZIBDIKNTM-UZLBHIALSA-N 1 0 340.467 4.210 40 0 biogenic,in-vitro EIABRO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)CO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000041690395 213462272 /nfs/dbraw/zinc/46/22/72/213462272.db2.gz WQVMLLJZZDUUPC-LHUKNYEISA-N 1 0 339.564 4.383 40 0 EIABRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000038833351 213226716 /nfs/dbraw/zinc/22/67/16/213226716.db2.gz MWZYVEUBAVFOCE-GOSISDBHSA-N 1 0 340.442 4.293 40 0 EIABRO c1ccc(SCc2ccc(CCC[NH+]3CCOCC3)cc2)cc1 ZINC000038607235 213216203 /nfs/dbraw/zinc/21/62/03/213216203.db2.gz QZRQUMGJFLNTQP-UHFFFAOYSA-N 1 0 327.493 4.244 40 0 EIABRO Fc1ccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccccn3)C2)cc1 ZINC000072358609 216165593 /nfs/dbraw/zinc/16/55/93/216165593.db2.gz OTQZMHFPPGTBLJ-KRWDZBQOSA-N 1 0 348.425 4.057 40 0 EIABRO Fc1ccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000072358571 216165642 /nfs/dbraw/zinc/16/56/42/216165642.db2.gz GCBYFFBIXAYJNW-SFHVURJKSA-N 1 0 348.425 4.057 40 0 EIABRO Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072378655 216182050 /nfs/dbraw/zinc/18/20/50/216182050.db2.gz HZCMDRBWOWENGJ-IBGZPJMESA-N 1 0 336.414 4.052 40 0 EIABRO Cc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072378656 216180715 /nfs/dbraw/zinc/18/07/15/216180715.db2.gz HZCMDRBWOWENGJ-LJQANCHMSA-N 1 0 336.414 4.052 40 0 EIABRO CCC(CC)C(=O)NCC1CCC([C@H](c2ccccn2)[NH+](C)C)CC1 ZINC000072391151 216191392 /nfs/dbraw/zinc/19/13/92/216191392.db2.gz DYZXLXGSKPFXQX-OUNSHVDWSA-N 1 0 345.531 4.043 40 0 EIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc(C)sc1C)Cc1cccnc1 ZINC000022931852 212336121 /nfs/dbraw/zinc/33/61/21/212336121.db2.gz CNQCVZKWTORICY-HXUWFJFHSA-N 1 0 343.540 4.246 40 0 EIABRO CC1CC[NH+](Cc2ccc(C(=O)N3CCc4ccccc43)cc2)CC1 ZINC000022526986 212304530 /nfs/dbraw/zinc/30/45/30/212304530.db2.gz BKFSPFKDKVGQKA-UHFFFAOYSA-N 1 0 334.463 4.121 40 0 EIABRO COc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc(F)cc1 ZINC000022074750 212275667 /nfs/dbraw/zinc/27/56/67/212275667.db2.gz RJARTYJUSFTJNM-UHFFFAOYSA-N 1 0 328.214 4.473 40 0 EIABRO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccccc1 ZINC000216159769 241169866 /nfs/dbraw/zinc/16/98/66/241169866.db2.gz JWXQADRPFBUSRO-ZWKOTPCHSA-N 1 0 336.479 4.410 40 0 EIABRO CC(C)c1ccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225726567 242005699 /nfs/dbraw/zinc/00/56/99/242005699.db2.gz WIPAEMLHDNSGBY-CALCHBBNSA-N 1 0 347.572 4.464 40 0 EIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCCC(C)(C)C3)cc2)C1 ZINC000020452439 212131276 /nfs/dbraw/zinc/13/12/76/212131276.db2.gz FSZNSLQDCUQITK-KRWDZBQOSA-N 1 0 328.500 4.181 40 0 EIABRO CC(C)Cc1ncc(-c2cncc([C@H]3CCC[N@@H+](C(C)C)C3)n2)s1 ZINC000257257351 244284756 /nfs/dbraw/zinc/28/47/56/244284756.db2.gz KPDZIAUZSGOKEZ-HNNXBMFYSA-N 1 0 344.528 4.386 40 0 EIABRO C[C@H]1c2ccsc2CC[N@H+]1Cc1cccc(OC[C@@H]2CCCO2)c1 ZINC000019498365 212032717 /nfs/dbraw/zinc/03/27/17/212032717.db2.gz DJCFMTRMFOSGIU-YJBOKZPZSA-N 1 0 343.492 4.425 40 0 EIABRO Fc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)c1F ZINC000019373747 212024529 /nfs/dbraw/zinc/02/45/29/212024529.db2.gz FJQBSIMWIJITLS-DLBZAZTESA-N 1 0 339.389 4.071 40 0 EIABRO c1cnc2[nH]c([C@@H]3CCCO3)c(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)c2c1 ZINC000019345161 212020304 /nfs/dbraw/zinc/02/03/04/212020304.db2.gz CGLBQXCRGUSAEM-FCEWJHQRSA-N 1 0 339.483 4.427 40 0 EIABRO Fc1cc(F)cc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019346895 212019480 /nfs/dbraw/zinc/01/94/80/212019480.db2.gz HCDMZZFXIXGGFR-OAHLLOKOSA-N 1 0 327.378 4.221 40 0 EIABRO COc1ccc2[nH]cc([C@H]3CC[N@H+](Cc4ccccc4OC)C3)c2c1 ZINC000012329485 211349406 /nfs/dbraw/zinc/34/94/06/211349406.db2.gz XMFLCWNSNJNDHV-HNNXBMFYSA-N 1 0 336.435 4.175 40 0 EIABRO COc1ccc2[nH]cc([C@@H]3CC[N@H+](Cc4ccccc4OC)C3)c2c1 ZINC000012329481 211348683 /nfs/dbraw/zinc/34/86/83/211348683.db2.gz XMFLCWNSNJNDHV-OAHLLOKOSA-N 1 0 336.435 4.175 40 0 EIABRO Cc1ccsc1C[N@@H+](CCCO)Cc1c(C)oc2ccccc21 ZINC000012291849 211335848 /nfs/dbraw/zinc/33/58/48/211335848.db2.gz CWMMCXHXVOKDPH-UHFFFAOYSA-N 1 0 329.465 4.496 40 0 EIABRO O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000012119139 211298349 /nfs/dbraw/zinc/29/83/49/211298349.db2.gz USIPUYJQPLLCOB-MRXNPFEDSA-N 1 0 342.826 4.085 40 0 EIABRO Cn1cncc1C[NH2+][C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CCCC[C@@H]21 ZINC000012087516 211288026 /nfs/dbraw/zinc/28/80/26/211288026.db2.gz CDJGIYHFOCMFSK-VJANTYMQSA-N 1 0 329.875 4.136 40 0 EIABRO COc1ccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c(OC)c1 ZINC000008497361 210958709 /nfs/dbraw/zinc/95/87/09/210958709.db2.gz XTBQXIBHXPROMG-HILYYZTDSA-N 1 0 329.484 4.398 40 0 EIABRO CSc1nnc([C@@H]2CCC[N@@H+](C3CCC(C)CC3)C2)n1C(C)C ZINC000005001486 210357589 /nfs/dbraw/zinc/35/75/89/210357589.db2.gz BZVRDHDYKKAHQC-HWOWSKLDSA-N 1 0 336.549 4.339 40 0 EIABRO Clc1ccc(C[NH2+]CCCSc2ncccn2)cc1Cl ZINC000004984161 210349291 /nfs/dbraw/zinc/34/92/91/210349291.db2.gz AETUXVFOXRQRLE-UHFFFAOYSA-N 1 0 328.268 4.055 40 0 EIABRO Cc1ccc(NC(=S)NCCC[NH+]2CCC(C)CC2)cc1Cl ZINC000007027257 208571844 /nfs/dbraw/zinc/57/18/44/208571844.db2.gz BIQNQQVPGKJDBG-UHFFFAOYSA-N 1 0 339.936 4.057 40 0 EIABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1)C1CCCCC1 ZINC000004888089 210313668 /nfs/dbraw/zinc/31/36/68/210313668.db2.gz HCJAFQFRCUIHKE-AYHJJNSGSA-N 1 0 346.540 4.330 40 0 EIABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072214990 257689037 /nfs/dbraw/zinc/68/90/37/257689037.db2.gz AEMGWQQDLITIAF-INIZCTEOSA-N 1 0 333.476 4.438 40 0 EIABRO CC(C)Oc1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000010335507 257861043 /nfs/dbraw/zinc/86/10/43/257861043.db2.gz ZLLRCHPPLTZDQU-UHFFFAOYSA-N 1 0 338.451 4.322 40 0 EIABRO CCOc1cc(C=O)ccc1OCCCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000217798954 535671207 /nfs/dbraw/zinc/67/12/07/535671207.db2.gz LDHAEMDAXYRTIE-CALCHBBNSA-N 1 0 333.472 4.320 40 0 EIABRO C[N@@H+]1CCc2cc(Cl)c(O)cc2[C@@H](c2cccc3ccoc32)C1 ZINC000005966869 560204026 /nfs/dbraw/zinc/20/40/26/560204026.db2.gz RUSANBIFMAXXSJ-MRXNPFEDSA-N 1 0 327.811 4.412 40 0 in-vitro EIABRO Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)C[NH+]5CCCC5)(C4)C2)C3)cc1 ZINC000001506831 563391251 /nfs/dbraw/zinc/39/12/51/563391251.db2.gz FFAIDMIJFPVFBB-MGAZVUHYSA-N 1 0 337.507 4.498 40 0 EIABRO CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CC)CC[N@@H+]2Cc1ccoc1 ZINC000001565946 563392533 /nfs/dbraw/zinc/39/25/33/563392533.db2.gz HEYXXBUDMDVUNQ-HMXCVIKNSA-N 1 0 325.452 4.490 40 0 EIABRO COc1cc2cccnc2c(NCC[N@H+](C)[C@H](C)Cc2ccccc2)c1 ZINC000001656144 563399568 /nfs/dbraw/zinc/39/95/68/563399568.db2.gz CJTZZCAWDWSSRS-QGZVFWFLSA-N 1 0 349.478 4.218 40 0 EIABRO CC(C)C[NH+](CC(C)C)C[C@H](O)c1ccc(Br)cc1 ZINC000001700088 563404713 /nfs/dbraw/zinc/40/47/13/563404713.db2.gz IFPHFRSLRPFJOV-INIZCTEOSA-N 1 0 328.294 4.097 40 0 EIABRO CC[NH+](CC)C[C@H](C)[C@@H](C)OC(=O)c1ccc(OCC(C)C)cc1 ZINC000002040877 563418996 /nfs/dbraw/zinc/41/89/96/563418996.db2.gz GRALFSQRIBJAHX-DLBZAZTESA-N 1 0 335.488 4.245 40 0 in-man EIABRO CC[C@H](CNc1cc(OC)cc2cccnc21)[NH2+]C1CCCCC1 ZINC000002042648 563419029 /nfs/dbraw/zinc/41/90/29/563419029.db2.gz BQBNRUUEFJVRMO-MRXNPFEDSA-N 1 0 327.472 4.356 40 0 EIABRO C=C[NH2+]CCc1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000005235848 563523989 /nfs/dbraw/zinc/52/39/89/563523989.db2.gz FPLQSMGONGRXPO-UHFFFAOYSA-N 1 0 329.806 4.153 40 0 EIABRO CC[NH+](CC)C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000006382422 563566571 /nfs/dbraw/zinc/56/65/71/563566571.db2.gz XBFAJTKXXAAQQB-SFHVURJKSA-N 1 0 348.284 4.491 40 0 EIABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](c2nc(C)n3ccccc23)C1 ZINC000019133427 563854397 /nfs/dbraw/zinc/85/43/97/563854397.db2.gz QWPYQCXNDVLZIO-GOSISDBHSA-N 1 0 349.478 4.339 40 0 EIABRO OC(c1ccccc1)(c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000026522511 563892170 /nfs/dbraw/zinc/89/21/70/563892170.db2.gz QNOJLRIMRWPNKS-QHCPKHFHSA-N 1 0 343.470 4.445 40 0 EIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCc4ccccc43)cc2)C1 ZINC000030946976 563911914 /nfs/dbraw/zinc/91/19/14/563911914.db2.gz OGHVABDCWAWUFR-KRWDZBQOSA-N 1 0 334.463 4.121 40 0 EIABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(C)cc1 ZINC000044935872 563928510 /nfs/dbraw/zinc/92/85/10/563928510.db2.gz SKROQPJTEZETHC-OAQYLSRUSA-N 1 0 336.479 4.472 40 0 EIABRO Cc1nc2sccn2c1C[NH2+]C1(c2ccccc2F)CCCC1 ZINC000057822821 563936061 /nfs/dbraw/zinc/93/60/61/563936061.db2.gz XOIQNQSDDKBRGM-UHFFFAOYSA-N 1 0 329.444 4.402 40 0 EIABRO Fc1ccc([C@H]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@]34CCCN24)cc1 ZINC000072342197 563966381 /nfs/dbraw/zinc/96/63/81/563966381.db2.gz KYELLYOWCJKDFN-NSISKUIASA-N 1 0 342.483 4.299 40 0 EIABRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2ccsc2)[C@H]1Cc1ccccc1 ZINC000096061659 563978967 /nfs/dbraw/zinc/97/89/67/563978967.db2.gz SKKVELQVPLEMFO-UXHICEINSA-N 1 0 328.525 4.274 40 0 EIABRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2ccc(F)cc2)[C@H]1Cc1ccccc1 ZINC000096061664 563979019 /nfs/dbraw/zinc/97/90/19/563979019.db2.gz XOPIBPXJLAEEGX-YADHBBJMSA-N 1 0 340.486 4.352 40 0 EIABRO OC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](C2CCCC2)CC1 ZINC000585281680 563981738 /nfs/dbraw/zinc/98/17/38/563981738.db2.gz OWSYOSDWUIRQCR-UHFFFAOYSA-N 1 0 344.282 4.142 40 0 EIABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)o1 ZINC000107752080 563984161 /nfs/dbraw/zinc/98/41/61/563984161.db2.gz WRVXBSFJSCWAGD-RTWAWAEBSA-N 1 0 347.499 4.166 40 0 EIABRO CC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215374 563985218 /nfs/dbraw/zinc/98/52/18/563985218.db2.gz WMHBYXPQMFVIFE-INIZCTEOSA-N 1 0 331.460 4.142 40 0 EIABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000005788605 564006068 /nfs/dbraw/zinc/00/60/68/564006068.db2.gz JTFAPYUEBOLXAA-FFZBTMFNSA-N 1 0 333.516 4.176 40 0 EIABRO CCC[NH2+]Cc1cc(Cl)c(OCc2cccs2)c(OC)c1 ZINC000007262331 564015463 /nfs/dbraw/zinc/01/54/63/564015463.db2.gz HIFSTFFNONBMLW-UHFFFAOYSA-N 1 0 325.861 4.489 40 0 EIABRO Cc1cc(C)cc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000009063459 564016614 /nfs/dbraw/zinc/01/66/14/564016614.db2.gz NWBSPKQAVFTXOE-UHFFFAOYSA-N 1 0 340.442 4.293 40 0 EIABRO Cc1ccc2cc(C[NH2+]CCc3ccc(Cl)cc3)c(=O)[nH]c2c1C ZINC000013566548 564020163 /nfs/dbraw/zinc/02/01/63/564020163.db2.gz OLIVTMNTDTXLDN-UHFFFAOYSA-N 1 0 340.854 4.131 40 0 EIABRO CC[C@H](C)C[C@H](C)/C=C/CC[C@@H](O)[C@@H](Cc1ccc(O)cc1)[NH2+]C ZINC000014824901 564023984 /nfs/dbraw/zinc/02/39/84/564023984.db2.gz RNCWKUCWPBNWOH-RJCOHJNNSA-N 1 0 333.516 4.292 40 0 biogenic,in-vitro EIABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)o1 ZINC000049169428 564032539 /nfs/dbraw/zinc/03/25/39/564032539.db2.gz AZUUMNBTEBMOGX-AWEZNQCLSA-N 1 0 343.814 4.281 40 0 biogenic,in-vitro EIABRO Cc1ccccc1NC(=S)NC1CC[NH+](Cc2cccs2)CC1 ZINC000225231361 564045484 /nfs/dbraw/zinc/04/54/84/564045484.db2.gz DXIKEUNILFDULK-UHFFFAOYSA-N 1 0 345.537 4.008 40 0 EIABRO C[C@@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C(C)(C)C)cc2)C1 ZINC000225592647 564048101 /nfs/dbraw/zinc/04/81/01/564048101.db2.gz SMGNKNSQSQIPDI-MRXNPFEDSA-N 1 0 332.488 4.172 40 0 EIABRO CC1CC[NH+](CCOc2ccc(NC(=O)C3(C)CCCC3)cc2)CC1 ZINC000225596759 564048174 /nfs/dbraw/zinc/04/81/74/564048174.db2.gz GAGQDRQUTDSWJY-UHFFFAOYSA-N 1 0 344.499 4.316 40 0 EIABRO CC[C@](O)(c1cccc(OCc2ccccc2)c1)[C@@H](C)C[NH+](C)C ZINC000065734673 564066959 /nfs/dbraw/zinc/06/69/59/564066959.db2.gz BYTDRZBEHCAVQA-LAUBAEHRSA-N 1 0 327.468 4.061 40 0 in-vitro EIABRO Cc1nc(N2Cc3ccccc3C[C@@H]2C)cc(NCc2ccccc2)[nH+]1 ZINC000328976515 564071176 /nfs/dbraw/zinc/07/11/76/564071176.db2.gz FOIRENQJFSKCPY-INIZCTEOSA-N 1 0 344.462 4.348 40 0 EIABRO Cc1cc(N2Cc3ccccc3C(C)(C)C2)nc(NC2CCCC2)[nH+]1 ZINC000329047065 564071879 /nfs/dbraw/zinc/07/18/79/564071879.db2.gz UEMDVAXODXDYET-UHFFFAOYSA-N 1 0 336.483 4.437 40 0 EIABRO COc1ccc(Nc2cc[nH+]c3cc(OC)c(OC)cc23)c(OC)c1 ZINC000065005252 564099531 /nfs/dbraw/zinc/09/95/31/564099531.db2.gz RNCBUAFFOFFTJF-UHFFFAOYSA-N 1 0 340.379 4.013 40 0 EIABRO C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C3CCCCC3)cc2)C1 ZINC000003893486 210084771 /nfs/dbraw/zinc/08/47/71/210084771.db2.gz PWGBPXYUGNRPLF-XLIONFOSSA-N 1 0 331.500 4.206 40 0 EIABRO CCCC[NH+](CCCC)C[C@H](O)c1ccc(Br)cc1 ZINC000001599083 209765432 /nfs/dbraw/zinc/76/54/32/209765432.db2.gz DZPCODSIDDFTAM-INIZCTEOSA-N 1 0 328.294 4.385 40 0 EIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2c(C)cccc2C)CC1 ZINC000039744873 213241856 /nfs/dbraw/zinc/24/18/56/213241856.db2.gz MFKJCWKCKGBXDM-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1C ZINC000038835196 213228785 /nfs/dbraw/zinc/22/87/85/213228785.db2.gz QZQWIGFVIZUNRA-GOSISDBHSA-N 1 0 340.442 4.293 40 0 EIABRO O=C(Nc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038833883 213228048 /nfs/dbraw/zinc/22/80/48/213228048.db2.gz XFLLGSMEANELSU-OAHLLOKOSA-N 1 0 346.833 4.330 40 0 EIABRO Cc1ccc(C)c([C@@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000036743853 213115606 /nfs/dbraw/zinc/11/56/06/213115606.db2.gz VOFQAAUHBRLSNS-UWJYYQICSA-N 1 0 349.478 4.093 40 0 EIABRO Cc1ccc2oc([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)nc2c1 ZINC000035446479 213029415 /nfs/dbraw/zinc/02/94/15/213029415.db2.gz BVOGJBZCBNCGFE-AWEZNQCLSA-N 1 0 328.362 4.404 40 0 biogenic,in-vitro EIABRO O=C(Nc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000035314242 213020559 /nfs/dbraw/zinc/02/05/59/213020559.db2.gz SHMAFLJWVBQRMS-IHWFROFDSA-N 1 0 335.451 4.004 40 0 EIABRO Fc1ccccc1-c1cccc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000072350074 216161030 /nfs/dbraw/zinc/16/10/30/216161030.db2.gz CGWIGJSHAHZJKB-MRXNPFEDSA-N 1 0 340.442 4.246 40 0 EIABRO Cc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3cnccn3)n2)c1 ZINC000072375270 216179829 /nfs/dbraw/zinc/17/98/29/216179829.db2.gz QIJUSBOGQGOXRD-IBGZPJMESA-N 1 0 345.450 4.261 40 0 EIABRO Cc1ccccc1C[N@@H+]1CCC[C@H]1c1nnc(-c2ccsc2)o1 ZINC000072390170 216190827 /nfs/dbraw/zinc/19/08/27/216190827.db2.gz FFNHGOUBCGPOQO-INIZCTEOSA-N 1 0 325.437 4.444 40 0 EIABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccccc1 ZINC000022508512 212302231 /nfs/dbraw/zinc/30/22/31/212302231.db2.gz SOUQHXOGRIHXFA-GOSISDBHSA-N 1 0 336.479 4.410 40 0 EIABRO CCN(CC)CC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000022075483 212276810 /nfs/dbraw/zinc/27/68/10/212276810.db2.gz DYUNNECAXOJQDL-UHFFFAOYSA-N 1 0 346.902 4.350 40 0 EIABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000224641368 241771489 /nfs/dbraw/zinc/77/14/89/241771489.db2.gz WIISGNPQINXFSW-UHFFFAOYSA-N 1 0 348.490 4.091 40 0 EIABRO C[n+]1cc(Br)cc(-c2nc3c(cccc3Cl)s2)c1 ZINC000226776905 242114318 /nfs/dbraw/zinc/11/43/18/242114318.db2.gz SDTSPHLXQLVPRW-UHFFFAOYSA-N 1 0 340.653 4.204 40 0 EIABRO CC(C)C(NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000020460486 212133645 /nfs/dbraw/zinc/13/36/45/212133645.db2.gz MIIIAACAYYHYPI-QGZVFWFLSA-N 1 0 330.516 4.329 40 0 EIABRO Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC000257223409 244192039 /nfs/dbraw/zinc/19/20/39/244192039.db2.gz DXGFNLCHRNQLOZ-GOSISDBHSA-N 1 0 327.476 4.165 40 0 EIABRO COc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4ccccc4C)no3)C2)c1 ZINC000257268043 244366691 /nfs/dbraw/zinc/36/66/91/244366691.db2.gz MJZNYNQDGTVRDT-KRWDZBQOSA-N 1 0 349.434 4.043 40 0 EIABRO Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CC[NH2+]CC2)n1 ZINC000257267757 244367776 /nfs/dbraw/zinc/36/77/76/244367776.db2.gz MIQAXQXHPLDFNM-UHFFFAOYSA-N 1 0 334.385 4.467 40 0 EIABRO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000019851000 212076156 /nfs/dbraw/zinc/07/61/56/212076156.db2.gz NWDHOEOULGWUOX-CBQOVEMMSA-N 1 0 332.491 4.170 40 0 EIABRO COc1ccc(C2([NH2+]Cc3ccc(-n4cccn4)cc3)CCCC2)cc1 ZINC000019553796 212040826 /nfs/dbraw/zinc/04/08/26/212040826.db2.gz QJPATAQOPXMMGR-UHFFFAOYSA-N 1 0 347.462 4.440 40 0 EIABRO c1cnc2[nH]c([C@H]3CCCO3)c(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)c2c1 ZINC000019345185 212019344 /nfs/dbraw/zinc/01/93/44/212019344.db2.gz CGLBQXCRGUSAEM-FRQCXROJSA-N 1 0 339.483 4.427 40 0 EIABRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC/C=C/c1ccccc1 ZINC000079439958 217225120 /nfs/dbraw/zinc/22/51/20/217225120.db2.gz UPYWPYCSSYXYAJ-UEICXMAYSA-N 1 0 330.472 4.031 40 0 EIABRO Cc1ccc(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000013992679 211666893 /nfs/dbraw/zinc/66/68/93/211666893.db2.gz ORCKLKXDJAWLIZ-UHFFFAOYSA-N 1 0 341.499 4.294 40 0 EIABRO COc1ccc2ccccc2c1C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(C)ncc12 ZINC000012186489 211314272 /nfs/dbraw/zinc/31/42/72/211314272.db2.gz OCDHPYUMOFHCFC-HRAATJIYSA-N 1 0 345.446 4.209 40 0 EIABRO CCOc1ccc(C[NH+]2CCC(c3cc4ncccc4cn3)CC2)cc1 ZINC000012222194 211324175 /nfs/dbraw/zinc/32/41/75/211324175.db2.gz QMTALEHNSDWEEO-UHFFFAOYSA-N 1 0 347.462 4.408 40 0 EIABRO O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000012119067 211297883 /nfs/dbraw/zinc/29/78/83/211297883.db2.gz NODDJQCTXQGZGD-HNNXBMFYSA-N 1 0 342.826 4.085 40 0 EIABRO Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CCCCC2)c1 ZINC000004887805 210313353 /nfs/dbraw/zinc/31/33/53/210313353.db2.gz YVHGGZJXJONEOT-VCSGRIEYSA-N 1 0 340.511 4.443 40 0 EIABRO O=C(/C=C/c1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000004886115 210311215 /nfs/dbraw/zinc/31/12/15/210311215.db2.gz ZIWBTGSKTDNGHQ-GQQMJPFBSA-N 1 0 346.474 4.012 40 0 EIABRO O=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1 ZINC000004882477 210310892 /nfs/dbraw/zinc/31/08/92/210310892.db2.gz ZXAVIVIOAORLJP-ZXFUBFMLSA-N 1 0 333.863 4.009 40 0 EIABRO COc1ccc2c(c1)N(C[C@@H](C)C[NH+](C)C)c1ccccc1S2 ZINC000000057400 525549598 /nfs/dbraw/zinc/54/95/98/525549598.db2.gz VRQVVMDWGGWHTJ-AWEZNQCLSA-N 1 0 328.481 4.496 40 0 in-vitro EIABRO Cc1cc(C)nc(SCCC[NH2+]Cc2c(F)cccc2Cl)n1 ZINC000006678431 563577917 /nfs/dbraw/zinc/57/79/17/563577917.db2.gz SXEGPWMEPCMOPC-UHFFFAOYSA-N 1 0 339.867 4.158 40 0 EIABRO C[N@H+](C[C@@H](O)COC1CCC(C(C)(C)C)CC1)C1CCCCC1 ZINC000001475433 563390966 /nfs/dbraw/zinc/39/09/66/563390966.db2.gz PXZAJBVFNOVSPV-CUYAVPTFSA-N 1 0 325.537 4.233 40 0 EIABRO COc1cc2c(cc1OCc1ccccc1)C(CC(C)C)=[N+](C)CC2 ZINC000001656172 563399931 /nfs/dbraw/zinc/39/99/31/563399931.db2.gz VNAFFMNLTRQXGH-UHFFFAOYSA-N 1 0 338.471 4.308 40 0 EIABRO CC[NH+](CC)c1ccc(NC[C@H](O)c2cc(Cl)ccc2OC)cc1 ZINC000001665277 563400690 /nfs/dbraw/zinc/40/06/90/563400690.db2.gz HPUSDYJBVWYKKF-SFHVURJKSA-N 1 0 348.874 4.340 40 0 EIABRO CCC[NH+](CCC)CC(=O)NC1c2ccccc2Oc2ccccc21 ZINC000004769076 563510804 /nfs/dbraw/zinc/51/08/04/563510804.db2.gz TVNPIUJCONBJOT-UHFFFAOYSA-N 1 0 338.451 4.120 40 0 EIABRO Cc1cc(C(C)(C)C)[n+](-c2nn(C)c(=S)s2)c(C(C)(C)C)c1 ZINC000005538101 563537596 /nfs/dbraw/zinc/53/75/96/563537596.db2.gz SXOGJXMPFBOEEO-UHFFFAOYSA-N 1 0 336.550 4.391 40 0 EIABRO CC[C@H](C)[N@H+](CCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000005846379 563552113 /nfs/dbraw/zinc/55/21/13/563552113.db2.gz KQFSDLYYUUBGSE-INIZCTEOSA-N 1 0 329.488 4.412 40 0 EIABRO Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C(C)(C)C)c1 ZINC000006008911 563556886 /nfs/dbraw/zinc/55/68/86/563556886.db2.gz NGLDSLCGXAOBKG-KSZLIROESA-N 1 0 333.516 4.010 40 0 EIABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000006007657 563557046 /nfs/dbraw/zinc/55/70/46/563557046.db2.gz ZKGHLKYIPSVZNW-RSPOEFSDSA-N 1 0 325.537 4.089 40 0 EIABRO CCOc1c(Cl)cc(C[NH2+]Cc2ccc(OC)cc2)cc1OC ZINC000007538515 563605221 /nfs/dbraw/zinc/60/52/21/563605221.db2.gz QHFOYUULBVLPIJ-UHFFFAOYSA-N 1 0 335.831 4.046 40 0 EIABRO CCOc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OCC ZINC000008253801 563624758 /nfs/dbraw/zinc/62/47/58/563624758.db2.gz MZCPTOKUOLUZLG-UHFFFAOYSA-N 1 0 330.266 4.135 40 0 EIABRO Clc1ccccc1COc1cccc(C[NH2+]C[C@H]2CCCO2)c1 ZINC000016450048 563812029 /nfs/dbraw/zinc/81/20/29/563812029.db2.gz GQOQQZGCSFACES-GOSISDBHSA-N 1 0 331.843 4.188 40 0 EIABRO Cc1cccc(CNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000044912411 563928301 /nfs/dbraw/zinc/92/83/01/563928301.db2.gz TYNLSALWDGBNFB-GOSISDBHSA-N 1 0 336.479 4.157 40 0 EIABRO CC1(C)CC(N(Cc2ccccc2)Cc2ccncc2)CC(C)(C)[NH2+]1 ZINC000057810630 563935906 /nfs/dbraw/zinc/93/59/06/563935906.db2.gz KDQXDOMFLVGBGA-UHFFFAOYSA-N 1 0 337.511 4.393 40 0 EIABRO FC1(F)CC[N@H+](Cc2cccs2)C[C@@]12CCN(c1ccccc1)C2 ZINC000096051096 563978503 /nfs/dbraw/zinc/97/85/03/563978503.db2.gz LMQARNNWBIZAER-GOSISDBHSA-N 1 0 348.462 4.486 40 0 EIABRO CCCCC[N@@H+]1CCC[C@]12CCCN(C(=O)Nc1ccccc1)C2 ZINC000096071381 563979043 /nfs/dbraw/zinc/97/90/43/563979043.db2.gz DAZKHUZVMMRBNA-FQEVSTJZSA-N 1 0 329.488 4.339 40 0 EIABRO Fc1cccc(CN2CCC[C@@]23CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000096214666 563980206 /nfs/dbraw/zinc/98/02/06/563980206.db2.gz WLWFXOQDCOZIMN-JOCHJYFZSA-N 1 0 338.470 4.456 40 0 EIABRO Fc1cccc(CN2CCC[C@]23CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000096214664 563980243 /nfs/dbraw/zinc/98/02/43/563980243.db2.gz WLWFXOQDCOZIMN-QFIPXVFZSA-N 1 0 338.470 4.456 40 0 EIABRO CC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214850 563984996 /nfs/dbraw/zinc/98/49/96/563984996.db2.gz MNBIYXQAFKTPJI-INIZCTEOSA-N 1 0 333.476 4.388 40 0 EIABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072215140 563985155 /nfs/dbraw/zinc/98/51/55/563985155.db2.gz XZRSLGYVXSYSAS-GOEBONIOSA-N 1 0 333.476 4.436 40 0 EIABRO [NH3+][C@H](CSCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000000057228 563991825 /nfs/dbraw/zinc/99/18/25/563991825.db2.gz TWOOKPVYHBSXIU-LJQANCHMSA-N 1 0 336.460 4.039 40 0 EIABRO COc1ccc(-c2c(NCc3ccccc3)[n+]3ccccc3n2C)cc1 ZINC000000413820 563997242 /nfs/dbraw/zinc/99/72/42/563997242.db2.gz FOPUYYDJCDEGKU-UHFFFAOYSA-N 1 0 344.438 4.052 40 0 EIABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1F ZINC000049169309 564032533 /nfs/dbraw/zinc/03/25/33/564032533.db2.gz ITOCDDATQYXWBC-HNNXBMFYSA-N 1 0 341.361 4.004 40 0 biogenic,in-vitro EIABRO Cc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4F)C3)o2)cc1 ZINC000049169911 564032594 /nfs/dbraw/zinc/03/25/94/564032594.db2.gz UMYLFNADGMTBTN-KRWDZBQOSA-N 1 0 337.398 4.174 40 0 biogenic,in-vitro EIABRO Fc1ccccc1-c1nnc([C@H]2CC[N@H+](CC3CCCCC3)C2)o1 ZINC000049170529 564032636 /nfs/dbraw/zinc/03/26/36/564032636.db2.gz XJMGFYOADBJNLN-HNNXBMFYSA-N 1 0 329.419 4.245 40 0 biogenic,in-vitro EIABRO CCc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000224282912 564042300 /nfs/dbraw/zinc/04/23/00/564042300.db2.gz KNMXBUVQSFHYTK-KRWDZBQOSA-N 1 0 336.479 4.336 40 0 EIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCC3=CCCCC3)cc2)C1 ZINC000224332715 564042411 /nfs/dbraw/zinc/04/24/11/564042411.db2.gz NAWSAKMQXFQSQR-KRWDZBQOSA-N 1 0 326.484 4.149 40 0 EIABRO CCCC[C@H](CC)CNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000224552644 564043125 /nfs/dbraw/zinc/04/31/25/564043125.db2.gz UKDKQOPFYNEZMU-KRWDZBQOSA-N 1 0 348.506 4.370 40 0 EIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccc(C)c(C)c1 ZINC000224971117 564044142 /nfs/dbraw/zinc/04/41/42/564044142.db2.gz SIJJPAGGPNMILL-HXUWFJFHSA-N 1 0 330.516 4.007 40 0 EIABRO c1nc(Nc2cccc([C@@H]3CCC[NH2+]C3)n2)sc1-c1ccccc1 ZINC000585263122 564052758 /nfs/dbraw/zinc/05/27/58/564052758.db2.gz MQRORSLTCHQJHZ-OAHLLOKOSA-N 1 0 336.464 4.416 40 0 EIABRO CC(C)c1nc2c(n1CC1CC1)C1(CC[NH2+]CC1)Oc1ccccc1-2 ZINC000306137286 564062232 /nfs/dbraw/zinc/06/22/32/564062232.db2.gz QRVLZVBRRBTITD-UHFFFAOYSA-N 1 0 337.467 4.055 40 0 EIABRO Cc1nc(N2Cc3ccccc3C[C@H]2C)cc(NCc2ccccc2)[nH+]1 ZINC000328976522 564071173 /nfs/dbraw/zinc/07/11/73/564071173.db2.gz FOIRENQJFSKCPY-MRXNPFEDSA-N 1 0 344.462 4.348 40 0 EIABRO CC(C)Nc1nc(N2CCc3cc(Cl)ccc3C2)cc(C(C)C)[nH+]1 ZINC000329057755 564071993 /nfs/dbraw/zinc/07/19/93/564071993.db2.gz VYDVGZPWYWQRDK-UHFFFAOYSA-N 1 0 344.890 4.058 40 0 EIABRO CC1(C)CC(N(Cc2ccccc2)Cc2ccccn2)CC(C)(C)[NH2+]1 ZINC000013992617 564087275 /nfs/dbraw/zinc/08/72/75/564087275.db2.gz VFVVEDXWANASAZ-UHFFFAOYSA-N 1 0 337.511 4.393 40 0 EIABRO CC(C)(C)c1ccc(/C=C/C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000010111091 564127653 /nfs/dbraw/zinc/12/76/53/564127653.db2.gz LRNQNIVGDAHMME-SDNWHVSQSA-N 1 0 342.527 4.380 40 0 EIABRO Cc1ccc(Cl)cc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010368133 564127806 /nfs/dbraw/zinc/12/78/06/564127806.db2.gz RAMCZVDGCLXDFX-UHFFFAOYSA-N 1 0 328.843 4.497 40 0 EIABRO CC[N@H+](C)[C@@H]1CN(C(=O)CCc2ccc(F)cc2)C2(C1)CCCCC2 ZINC000019704826 564128040 /nfs/dbraw/zinc/12/80/40/564128040.db2.gz ZUSTVTGXLJENDY-IBGZPJMESA-N 1 0 346.490 4.014 40 0 EIABRO COC(=O)N(/C=C/C1=[N+](C)c2ccccc2C1(C)C)c1ccccc1 ZINC000004611250 210231945 /nfs/dbraw/zinc/23/19/45/210231945.db2.gz VZFUHQQQGIGTFC-UHFFFAOYSA-N 1 0 335.427 4.479 40 0 EIABRO C[C@H]1C[NH+](CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C[C@@H]1C ZINC000004411208 210188856 /nfs/dbraw/zinc/18/88/56/210188856.db2.gz CZDWKRSKCXMEKV-QIJZPMMNSA-N 1 0 341.495 4.258 40 0 EIABRO CC[C@@H]1CCC[N@@H+]1CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCC1 ZINC000004404530 210187979 /nfs/dbraw/zinc/18/79/79/210187979.db2.gz SPEXSRJGEOVWTM-ZCNNSNEGSA-N 1 0 327.468 4.154 40 0 EIABRO Cc1ccc(NC(=S)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000046106373 213782544 /nfs/dbraw/zinc/78/25/44/213782544.db2.gz RDAHUHPWCQINBM-UHFFFAOYSA-N 1 0 339.508 4.077 40 0 EIABRO C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C3CCCCC3)cc2)C1 ZINC000003893487 210085252 /nfs/dbraw/zinc/08/52/52/210085252.db2.gz PWGBPXYUGNRPLF-PXNSSMCTSA-N 1 0 331.500 4.206 40 0 EIABRO O=C1C(C[NH+]2CCCCC2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000104269465 219368650 /nfs/dbraw/zinc/36/86/50/219368650.db2.gz NLPPWDBRADHGEK-HXUWFJFHSA-N 1 0 348.446 4.073 40 0 EIABRO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000039750248 213242860 /nfs/dbraw/zinc/24/28/60/213242860.db2.gz JVXARJZHLIQDJL-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO Cc1cc(C)c(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000039757148 213242286 /nfs/dbraw/zinc/24/22/86/213242286.db2.gz CTALIWTXFZJLGO-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO CCc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000039756219 213241948 /nfs/dbraw/zinc/24/19/48/213241948.db2.gz RCLZAESCPWMBCV-UHFFFAOYSA-N 1 0 336.479 4.408 40 0 EIABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c(C)c1 ZINC000039747685 213241726 /nfs/dbraw/zinc/24/17/26/213241726.db2.gz ISGYCXWCBOCHDW-UHFFFAOYSA-N 1 0 340.442 4.293 40 0 EIABRO CN(Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038832919 213226906 /nfs/dbraw/zinc/22/69/06/213226906.db2.gz WHGUFEXNIKZZMT-UHFFFAOYSA-N 1 0 336.479 4.335 40 0 EIABRO Cc1ccc(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C(C)(C)C)c1 ZINC000037530373 213154573 /nfs/dbraw/zinc/15/45/73/213154573.db2.gz NGLDSLCGXAOBKG-BZSNNMDCSA-N 1 0 333.516 4.010 40 0 EIABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000037530283 213154283 /nfs/dbraw/zinc/15/42/83/213154283.db2.gz ZKGHLKYIPSVZNW-MTFMMBMASA-N 1 0 325.537 4.089 40 0 EIABRO COc1cccc(C[N@@H+]2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)c1 ZINC000035442907 213028908 /nfs/dbraw/zinc/02/89/08/213028908.db2.gz WKRPSRIYXLZWCT-AWEZNQCLSA-N 1 0 342.826 4.479 40 0 biogenic,in-vitro EIABRO c1ccc(Cc2cccc(C3CC[NH+](Cc4ccccn4)CC3)n2)cc1 ZINC000072348935 216160838 /nfs/dbraw/zinc/16/08/38/216160838.db2.gz VECIRQQOIOOVLR-UHFFFAOYSA-N 1 0 343.474 4.447 40 0 EIABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000072379089 216181553 /nfs/dbraw/zinc/18/15/53/216181553.db2.gz MHKUUTSFXGSQHI-LJQANCHMSA-N 1 0 346.478 4.209 40 0 EIABRO Cc1cc(C)n(CCC[N@@H+](C)Cc2c(C)n(C)c3cc(C)ccc23)n1 ZINC000019719797 212057188 /nfs/dbraw/zinc/05/71/88/212057188.db2.gz MAZZNZNBBHRVTQ-UHFFFAOYSA-N 1 0 338.499 4.131 40 0 EIABRO Cc1c(CN(CC[NH+](C)C)Cc2cccs2)oc2ccccc12 ZINC000019566315 212043663 /nfs/dbraw/zinc/04/36/63/212043663.db2.gz DYOKTWPPKRHSOU-UHFFFAOYSA-N 1 0 328.481 4.367 40 0 EIABRO Cc1[nH+]c([C@@H]2CCCN(Cc3ccc(F)c(F)c3)C2)c2ccccn12 ZINC000019240667 212008704 /nfs/dbraw/zinc/00/87/04/212008704.db2.gz NQECFMXEILSPFW-MRXNPFEDSA-N 1 0 341.405 4.301 40 0 EIABRO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)on1 ZINC000019234995 212006710 /nfs/dbraw/zinc/00/67/10/212006710.db2.gz OJSDGMNTAJGXCV-GOSISDBHSA-N 1 0 336.439 4.409 40 0 EIABRO CCCOc1cc(C)c(C(=O)OCC[C@H](C)[NH+]2CCCC2)c(C)c1 ZINC000006380701 210626335 /nfs/dbraw/zinc/62/63/35/210626335.db2.gz GWKHMNYCAUJWBJ-KRWDZBQOSA-N 1 0 333.472 4.123 40 0 EIABRO CCCC[NH2+][C@H](C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000005973606 210570024 /nfs/dbraw/zinc/57/00/24/210570024.db2.gz GQEAVQHYRFJHHD-IBGZPJMESA-N 1 0 327.424 4.018 40 0 EIABRO Cc1ccc(C)c(CSc2nnc([C@@H](N)Cc3ccccc3)o2)c1 ZINC000005070465 210383185 /nfs/dbraw/zinc/38/31/85/210383185.db2.gz HJCATHPGKOKIQB-KRWDZBQOSA-N 1 0 339.464 4.221 40 0 EIABRO COc1ccc2c(c1)sc(/C=C/c1ccc(O)c3ncccc13)[n+]2C ZINC000005049322 210374798 /nfs/dbraw/zinc/37/47/98/210374798.db2.gz NYEGDFUEJKWYBU-UHFFFAOYSA-O 1 0 349.435 4.159 40 0 EIABRO CC[C@@]1(C)C[C@@]2(CCC[N@H+](CCC(=O)c3ccccc3)C2)CCO1 ZINC000005008159 210360950 /nfs/dbraw/zinc/36/09/50/210360950.db2.gz HPAWIRFVASVWBY-LEWJYISDSA-N 1 0 329.484 4.321 40 0 EIABRO OCC[NH2+][C@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2Cl ZINC000004984614 210349780 /nfs/dbraw/zinc/34/97/80/210349780.db2.gz DUJIUZARXIXFNP-HNNXBMFYSA-N 1 0 328.626 4.299 40 0 in-vitro EIABRO O=C(C[NH2+]Cc1cccs1)Nc1ccccc1Oc1ccccc1 ZINC000004969182 210343904 /nfs/dbraw/zinc/34/39/04/210343904.db2.gz WYQMXFRMXCJGNV-UHFFFAOYSA-N 1 0 338.432 4.269 40 0 EIABRO O[C@@H]1c2c(ccc3ccccc32)CC[C@H]1[C@H]1[NH2+]CCc2ccccc21 ZINC000004913977 210320511 /nfs/dbraw/zinc/32/05/11/210320511.db2.gz NXHJGRJQTMOMRC-PMVMPFDFSA-N 1 0 329.443 4.323 40 0 EIABRO Cc1ccc2c(c1)N(C(=O)C[NH2+]CCc1ccccc1)C(C)(C)C=C2C ZINC000004896809 210315269 /nfs/dbraw/zinc/31/52/69/210315269.db2.gz ZBRNEOYZGVXLLW-UHFFFAOYSA-N 1 0 348.490 4.356 40 0 EIABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1cc(C)cc(C)c1)C2 ZINC000004857112 210303139 /nfs/dbraw/zinc/30/31/39/210303139.db2.gz HYXLCWWKHCMDDF-YQQQUEKLSA-N 1 0 345.556 4.385 40 0 EIABRO C[N@H+](C[C@H](O)COC1CCC(C(C)(C)C)CC1)C1CCCCC1 ZINC000001475434 563390977 /nfs/dbraw/zinc/39/09/77/563390977.db2.gz PXZAJBVFNOVSPV-AVAKVYKDSA-N 1 0 325.537 4.233 40 0 EIABRO C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@@H+]2CCC(=O)c1ccccc1 ZINC000001581125 563393868 /nfs/dbraw/zinc/39/38/68/563393868.db2.gz CGZUGJGJUVSIIS-FQQGMQMYSA-N 1 0 349.474 4.189 40 0 EIABRO COc1ccc(C(=O)OCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000001716150 563406440 /nfs/dbraw/zinc/40/64/40/563406440.db2.gz PJXHHSDVQLIITH-UHFFFAOYSA-N 1 0 339.435 4.038 40 0 EIABRO CCCCN(C(=O)c1cc(C)cc(C)c1)C1=C[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000005298050 563525620 /nfs/dbraw/zinc/52/56/20/563525620.db2.gz GNYZYYFKNNJUQR-RBUKOAKNSA-N 1 0 326.484 4.296 40 0 EIABRO CCCC[NH+](CCCC)C[C@@H](O)c1cccc(Br)c1 ZINC000005973447 563556750 /nfs/dbraw/zinc/55/67/50/563556750.db2.gz KANSWLPZEXXYHE-MRXNPFEDSA-N 1 0 328.294 4.385 40 0 EIABRO CN(CC[NH+]1CCCCC1)C(=O)[C@H](c1ccccc1)C1CCCCC1 ZINC000006437478 563568422 /nfs/dbraw/zinc/56/84/22/563568422.db2.gz FONQVCVXPUIGHD-OAQYLSRUSA-N 1 0 342.527 4.295 40 0 EIABRO O=C(NCCC[NH+]1CCCCC1)/C(=C/c1ccccc1)c1ccccc1 ZINC000013671218 563709321 /nfs/dbraw/zinc/70/93/21/563709321.db2.gz KIRKARLWAWCPIG-ZBJSNUHESA-N 1 0 348.490 4.219 40 0 EIABRO COc1ccc(C)cc1C[NH+]1CCC(c2cc3ncccc3cn2)CC1 ZINC000019133361 563854356 /nfs/dbraw/zinc/85/43/56/563854356.db2.gz BERZCHNNUWCNKH-UHFFFAOYSA-N 1 0 347.462 4.326 40 0 EIABRO O=C(NC1CCCCCCC1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030944054 563911877 /nfs/dbraw/zinc/91/18/77/563911877.db2.gz SKPBXDUMWUFGHC-GOSISDBHSA-N 1 0 346.490 4.267 40 0 EIABRO COc1ccc([C@@H](O)[C@H]([NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000031961941 563913289 /nfs/dbraw/zinc/91/32/89/563913289.db2.gz ZVOJPKQDEDCIGN-FGZHOGPDSA-N 1 0 333.431 4.260 40 0 EIABRO CC[C@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccc(C)cc2)CC1 ZINC000585100666 563971392 /nfs/dbraw/zinc/97/13/92/563971392.db2.gz SEHFUANSXMCKPL-GHTZIAJQSA-N 1 0 328.500 4.141 40 0 EIABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)s1 ZINC000096047591 563978285 /nfs/dbraw/zinc/97/82/85/563978285.db2.gz UMZTVAXUZKMHBU-PKOBYXMFSA-N 1 0 346.471 4.041 40 0 EIABRO Cc1cc(OC[C@]2(O)CCC[N@@H+](C3CCCC3)C2)cc(C)c1Cl ZINC000585281624 563981763 /nfs/dbraw/zinc/98/17/63/563981763.db2.gz NLUNBULFLQCLDI-IBGZPJMESA-N 1 0 337.891 4.105 40 0 EIABRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)cc1 ZINC000585288553 563982046 /nfs/dbraw/zinc/98/20/46/563982046.db2.gz DNOKKJFXFNAMNV-XUVXKRRUSA-N 1 0 345.870 4.099 40 0 EIABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214501 563984764 /nfs/dbraw/zinc/98/47/64/563984764.db2.gz KIFPJZNLVYAMDU-MRXNPFEDSA-N 1 0 333.476 4.246 40 0 EIABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214799 563984947 /nfs/dbraw/zinc/98/49/47/563984947.db2.gz QOFMXBISKRAHRL-MRXNPFEDSA-N 1 0 333.476 4.390 40 0 EIABRO COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccc(C)cc3)o2)cc1 ZINC000007539340 564015616 /nfs/dbraw/zinc/01/56/16/564015616.db2.gz YDKJFSFBLQGUMD-UHFFFAOYSA-N 1 0 335.403 4.331 40 0 EIABRO C[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008377371 564016170 /nfs/dbraw/zinc/01/61/70/564016170.db2.gz DXZOJJFETPANAE-UHFFFAOYSA-N 1 0 340.648 4.401 40 0 EIABRO C[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000008377379 564016173 /nfs/dbraw/zinc/01/61/73/564016173.db2.gz RSLQJQLIFQXFQC-UHFFFAOYSA-N 1 0 326.223 4.300 40 0 EIABRO CCCC[C@H](CC)CNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000224550977 564043091 /nfs/dbraw/zinc/04/30/91/564043091.db2.gz FZYIEHDMPGFFAL-KRWDZBQOSA-N 1 0 348.506 4.370 40 0 EIABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1cccc(Cl)c1 ZINC000224642952 564043382 /nfs/dbraw/zinc/04/33/82/564043382.db2.gz OETYNEXLTAVALU-UHFFFAOYSA-N 1 0 342.870 4.256 40 0 EIABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1cc2ccccc2o1 ZINC000224687668 564043477 /nfs/dbraw/zinc/04/34/77/564043477.db2.gz GQBMWMIFCJJPAR-UHFFFAOYSA-N 1 0 348.446 4.349 40 0 EIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cc(C)ccc1C ZINC000225580164 564047939 /nfs/dbraw/zinc/04/79/39/564047939.db2.gz OVUNDYLFXGVATP-QGZVFWFLSA-N 1 0 333.545 4.244 40 0 EIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cc(C)cc(C)c1 ZINC000225580229 564047944 /nfs/dbraw/zinc/04/79/44/564047944.db2.gz FNSCLBXFBVFERI-GOSISDBHSA-N 1 0 333.545 4.244 40 0 EIABRO CCOc1ccccc1NC(=S)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000225580958 564047992 /nfs/dbraw/zinc/04/79/92/564047992.db2.gz RKJTYIKBRNAMTE-INIZCTEOSA-N 1 0 349.544 4.026 40 0 EIABRO O=C1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CCN1C1CCCCC1 ZINC000015672992 564070523 /nfs/dbraw/zinc/07/05/23/564070523.db2.gz RNURTBVPRVXOOO-PMACEKPBSA-N 1 0 340.511 4.080 40 0 biogenic,in-vitro EIABRO Cc1ccc(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)c(C(C)(C)C)c1 ZINC000027531040 564085691 /nfs/dbraw/zinc/08/56/91/564085691.db2.gz JLKSJXCQCJQNRN-KZNAEPCWSA-N 1 0 333.516 4.295 40 0 EIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000009063094 564127634 /nfs/dbraw/zinc/12/76/34/564127634.db2.gz VWVLSOQNVQAFGA-UHFFFAOYSA-N 1 0 342.870 4.499 40 0 EIABRO COc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000010337964 564127768 /nfs/dbraw/zinc/12/77/68/564127768.db2.gz GWIZNBNIVKCVAH-UHFFFAOYSA-N 1 0 344.842 4.197 40 0 EIABRO CCC[N@@H+]1CC[C@@H](c2cc(COc3ccc(C(C)C)cc3)[nH]n2)C1 ZINC000019738931 564128097 /nfs/dbraw/zinc/12/80/97/564128097.db2.gz FUIRDVYOWRVHPW-QGZVFWFLSA-N 1 0 327.472 4.311 40 0 EIABRO COc1ccc(-[n+]2cc(-c3ccc(C)cc3)n3c2S[C@@H](C)C3)cc1 ZINC000027788634 564134520 /nfs/dbraw/zinc/13/45/20/564134520.db2.gz DZHZHZRFLKGFGW-HNNXBMFYSA-N 1 0 337.468 4.243 40 0 EIABRO CCCCOc1ccc(Cl)cc1-c1noc([C@@H]2CCCC[NH2+]2)n1 ZINC000256052769 564134756 /nfs/dbraw/zinc/13/47/56/564134756.db2.gz OPAQXUSZRRIFGJ-AWEZNQCLSA-N 1 0 335.835 4.384 40 0 EIABRO CCc1c2c(c(C=[NH2+])c3sc(-c4ccccc4)c([O-])[n+]31)CCCC2 ZINC000019074799 564136432 /nfs/dbraw/zinc/13/64/32/564136432.db2.gz NNBIJDHIMOTXLT-UHFFFAOYSA-O 1 0 337.468 4.298 40 0 EIABRO C[C@H](COC(=O)[C@H](c1ccccc1)[C@H]1C=CCCC1)C[NH+]1CCCC1 ZINC000004410998 210189719 /nfs/dbraw/zinc/18/97/19/210189719.db2.gz LOROOXLFVZBGQW-SESVDKBCSA-N 1 0 341.495 4.402 40 0 EIABRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000067801244 215214953 /nfs/dbraw/zinc/21/49/53/215214953.db2.gz BIQOKFIQYULQKW-UHFFFAOYSA-N 1 0 338.879 4.077 40 0 EIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cc(C)ccc3C)CC2)c1 ZINC000039742993 213242116 /nfs/dbraw/zinc/24/21/16/213242116.db2.gz AYSVVJXJVXYPMV-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO Cc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039768087 213241785 /nfs/dbraw/zinc/24/17/85/213241785.db2.gz CMWQPVONYMQPGV-UHFFFAOYSA-N 1 0 340.442 4.293 40 0 EIABRO Cc1c(Cl)cccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038849606 213228744 /nfs/dbraw/zinc/22/87/44/213228744.db2.gz YDKAIBPKEMMSMF-KRWDZBQOSA-N 1 0 342.870 4.499 40 0 EIABRO COc1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000038835096 213228484 /nfs/dbraw/zinc/22/84/84/213228484.db2.gz VYDGGBHMKJIZKB-MRXNPFEDSA-N 1 0 338.451 4.179 40 0 EIABRO CC1=C[C@@H](C[NH2+]C(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2cc[nH]cc-2n1 ZINC000072320836 216149359 /nfs/dbraw/zinc/14/93/59/216149359.db2.gz BXJMTCBLJTVUEU-BZSNNMDCSA-N 1 0 340.515 4.353 40 0 biogenic,in-vitro EIABRO CC(C)c1nccn1-c1nccnc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072359236 216166224 /nfs/dbraw/zinc/16/62/24/216166224.db2.gz VOXYOIKNUCFHLE-GOSISDBHSA-N 1 0 347.466 4.123 40 0 EIABRO Fc1ccc(-c2nccnc2[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC000072358319 216166390 /nfs/dbraw/zinc/16/63/90/216166390.db2.gz DTGFISGOKOXIKG-INIZCTEOSA-N 1 0 325.431 4.405 40 0 EIABRO Fc1ccccc1Cc1cccc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072358153 216166422 /nfs/dbraw/zinc/16/64/22/216166422.db2.gz NJTCABFYRLMPBH-OAQYLSRUSA-N 1 0 340.442 4.127 40 0 EIABRO Cc1cccc(-c2cncc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072359426 216166435 /nfs/dbraw/zinc/16/64/35/216166435.db2.gz GGCQLRLORIEJRY-LJQANCHMSA-N 1 0 344.462 4.227 40 0 EIABRO Cc1cccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4nccn4C)C3)n2)c1 ZINC000072349994 216160822 /nfs/dbraw/zinc/16/08/22/216160822.db2.gz UOPWELUCVAFBLD-LJQANCHMSA-N 1 0 346.478 4.170 40 0 EIABRO CCc1nccn1-c1cccc(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000072378659 216182017 /nfs/dbraw/zinc/18/20/17/216182017.db2.gz IWCMDPASMGBAMY-UHFFFAOYSA-N 1 0 346.478 4.209 40 0 EIABRO C[NH+](C)CCN(Cc1cccs1)Cc1ccc(Cl)c(F)c1 ZINC000023247864 212363658 /nfs/dbraw/zinc/36/36/58/212363658.db2.gz ZKVKCCGNIVGREX-UHFFFAOYSA-N 1 0 326.868 4.104 40 0 EIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccccc1Cl ZINC000022913906 212332877 /nfs/dbraw/zinc/33/28/77/212332877.db2.gz DKKSYURPWQPRFH-LJQANCHMSA-N 1 0 343.902 4.222 40 0 EIABRO O=C(NCCSC1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000225817894 242050039 /nfs/dbraw/zinc/05/00/39/242050039.db2.gz FCZPKILRFWWBLV-UHFFFAOYSA-N 1 0 346.540 4.078 40 0 EIABRO CC(C)c1ccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225726591 242004470 /nfs/dbraw/zinc/00/44/70/242004470.db2.gz WIPAEMLHDNSGBY-IAGOWNOFSA-N 1 0 347.572 4.464 40 0 EIABRO CC[n+]1cc(Br)cc(-c2nc3ccc(C)cc3s2)c1 ZINC000226773334 242114768 /nfs/dbraw/zinc/11/47/68/242114768.db2.gz VTDNEPLTEHXGIK-UHFFFAOYSA-N 1 0 334.262 4.342 40 0 EIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)C1 ZINC000020487840 212137960 /nfs/dbraw/zinc/13/79/60/212137960.db2.gz CWEGTISRNKPRRT-AWEZNQCLSA-N 1 0 344.405 4.449 40 0 EIABRO C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1ccccc1 ZINC000019590194 212048443 /nfs/dbraw/zinc/04/84/43/212048443.db2.gz NFFQPVCVVPHLFC-YPAWHYETSA-N 1 0 348.490 4.169 40 0 EIABRO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1C ZINC000019557997 212042325 /nfs/dbraw/zinc/04/23/25/212042325.db2.gz NZLOJSREOAMBFI-GOSISDBHSA-N 1 0 336.439 4.409 40 0 EIABRO CCC(CC)C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019500231 212033556 /nfs/dbraw/zinc/03/35/56/212033556.db2.gz DEESBZDTMFICKM-ZCNNSNEGSA-N 1 0 346.490 4.089 40 0 EIABRO COc1cccc2cc(CN3CCC([N@@H+]4CCC[C@H](C)C4)CC3)oc21 ZINC000019496483 212032402 /nfs/dbraw/zinc/03/24/02/212032402.db2.gz CNXAZZWCLQSJSK-INIZCTEOSA-N 1 0 342.483 4.138 40 0 EIABRO COc1ccc([C@@H](C)[NH2+]Cc2cnc(SCC(C)C)nc2)cc1F ZINC000019447377 212028867 /nfs/dbraw/zinc/02/88/67/212028867.db2.gz RYNFEDHFTQZPRX-CYBMUJFWSA-N 1 0 349.475 4.223 40 0 EIABRO Fc1ccc([C@@H]2C[N@H+](C[C@H]3CC=CCC3)C[C@H]2c2cc[nH]n2)cc1 ZINC000019336151 212017892 /nfs/dbraw/zinc/01/78/92/212017892.db2.gz XVONKGMTBGMJLZ-ZYSHUDEJSA-N 1 0 325.431 4.088 40 0 EIABRO COc1ccc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000012480851 211391661 /nfs/dbraw/zinc/39/16/61/211391661.db2.gz QXCPJKHBKYNYTN-UHFFFAOYSA-N 1 0 343.854 4.444 40 0 EIABRO CC(C)CC[C@H](C(N)=O)[C@@H]1[NH2+]C2(CCCCC2)Cc2ccccc21 ZINC000005832604 210545057 /nfs/dbraw/zinc/54/50/57/210545057.db2.gz IEYQENFPCJVEIG-RBUKOAKNSA-N 1 0 328.500 4.114 40 0 EIABRO Cc1ccccc1C(=O)OCC[N@@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC000005748376 210528280 /nfs/dbraw/zinc/52/82/80/210528280.db2.gz WCZMOEHLXYARKQ-UHFFFAOYSA-N 1 0 327.468 4.052 40 0 EIABRO Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CC2)cc1C ZINC000004857038 210303490 /nfs/dbraw/zinc/30/34/90/210303490.db2.gz LVWKBDNUMXTIGX-JLYLLQBASA-N 1 0 343.540 4.138 40 0 EIABRO O[C@H]1c2c(ccc3ccccc32)CC[C@@H]1[C@H]1[NH2+]CCc2ccccc21 ZINC000001569676 563392774 /nfs/dbraw/zinc/39/27/74/563392774.db2.gz NXHJGRJQTMOMRC-AKIFATBCSA-N 1 0 329.443 4.323 40 0 EIABRO COc1cc(NCCCCC[NH2+]C(C)C)c2ncccc2c1Cl ZINC000001593754 563395394 /nfs/dbraw/zinc/39/53/94/563395394.db2.gz PZTUPXDSJRFMKO-UHFFFAOYSA-N 1 0 335.879 4.477 40 0 EIABRO CCCCC[NH+](CCCCC)C[C@H](O)CN1CCCc2ccccc21 ZINC000001729651 563407949 /nfs/dbraw/zinc/40/79/49/563407949.db2.gz YXDUJVBHEGKZSK-NRFANRHFSA-N 1 0 346.559 4.483 40 0 EIABRO COc1cc2cccnc2c(NCC[N@H+](C)[C@@H](C)Cc2ccccc2)c1 ZINC000005929465 563554738 /nfs/dbraw/zinc/55/47/38/563554738.db2.gz CJTZZCAWDWSSRS-KRWDZBQOSA-N 1 0 349.478 4.218 40 0 EIABRO O=C(NCCC[NH+]1CCCCC1)c1cc2c(ccc3ccccc23)o1 ZINC000013646402 563706396 /nfs/dbraw/zinc/70/63/96/563706396.db2.gz TXMFLQDFTXRZJR-UHFFFAOYSA-N 1 0 336.435 4.192 40 0 EIABRO O[C@@](CC[NH+]1CC2CCC(CC2)C1)(Cc1ccccc1)c1ccco1 ZINC000017378403 563843660 /nfs/dbraw/zinc/84/36/60/563843660.db2.gz MZNWMCBGOMQURI-AOMIVXANSA-N 1 0 339.479 4.222 40 0 EIABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1cccc(Cl)c1 ZINC000018176831 563850337 /nfs/dbraw/zinc/85/03/37/563850337.db2.gz NHGGFLLIDMEUST-UHFFFAOYSA-N 1 0 343.858 4.258 40 0 EIABRO COc1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000027344046 563895315 /nfs/dbraw/zinc/89/53/15/563895315.db2.gz WDZHCKJSXGKYLB-UHFFFAOYSA-N 1 0 338.451 4.179 40 0 EIABRO CC1(C)CCCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000039743197 563900613 /nfs/dbraw/zinc/90/06/13/563900613.db2.gz OTFCKUQTGTXBQW-UHFFFAOYSA-N 1 0 348.918 4.201 40 0 EIABRO O=C(Nc1cccc(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039755874 563900636 /nfs/dbraw/zinc/90/06/36/563900636.db2.gz CGYXYDKDXMBDOM-UHFFFAOYSA-N 1 0 328.843 4.191 40 0 EIABRO CCSC1(SCC)C(=O)OC2=C(CCCCCC2)[C@@H]1[NH+](C)C ZINC000031759756 563912939 /nfs/dbraw/zinc/91/29/39/563912939.db2.gz WZZPXQRNDMHZDV-HNNXBMFYSA-N 1 0 343.558 4.284 40 0 EIABRO c1ccc(C[NH2+][C@H](Cc2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000031923728 563913226 /nfs/dbraw/zinc/91/32/26/563913226.db2.gz ACMFQJCYOBJMBZ-HXUWFJFHSA-N 1 0 331.415 4.489 40 0 EIABRO C[C@@H]1C[C@@H](OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)CC(C)(C)C1 ZINC000095532679 563977588 /nfs/dbraw/zinc/97/75/88/563977588.db2.gz ZCGOSUPULPBKSS-BRWVUGGUSA-N 1 0 327.553 4.383 40 0 EIABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214502 563984795 /nfs/dbraw/zinc/98/47/95/563984795.db2.gz KIFPJZNLVYAMDU-INIZCTEOSA-N 1 0 333.476 4.246 40 0 EIABRO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072214571 563984845 /nfs/dbraw/zinc/98/48/45/563984845.db2.gz ZSOGPCVLWALPEA-MRXNPFEDSA-N 1 0 333.476 4.294 40 0 EIABRO CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC000072214635 563984874 /nfs/dbraw/zinc/98/48/74/563984874.db2.gz HIVVOQJZYOAFKF-INIZCTEOSA-N 1 0 333.476 4.390 40 0 EIABRO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCC[NH2+]1)C1CCC1 ZINC000072215515 563985265 /nfs/dbraw/zinc/98/52/65/563985265.db2.gz AGUGXOKHGLNMQQ-MRXNPFEDSA-N 1 0 331.460 4.190 40 0 EIABRO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000072215605 563985329 /nfs/dbraw/zinc/98/53/29/563985329.db2.gz NTUVCDFJQMBRRA-MRXNPFEDSA-N 1 0 331.460 4.190 40 0 EIABRO COc1ccc(-c2c[n+](-c3ccccc3OC)c3n2CCCCC3)cc1 ZINC000001100636 564001855 /nfs/dbraw/zinc/00/18/55/564001855.db2.gz AJDKTDBPAIVWMC-UHFFFAOYSA-N 1 0 349.454 4.175 40 0 EIABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000005788602 564006084 /nfs/dbraw/zinc/00/60/84/564006084.db2.gz JTFAPYUEBOLXAA-HSROGRKHSA-N 1 0 333.516 4.176 40 0 EIABRO C[C@@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)[NH2+]C[C@@H]1CCCO1 ZINC000005348058 564031977 /nfs/dbraw/zinc/03/19/77/564031977.db2.gz RTOVSWPWNYKPES-HFSMHLIXSA-N 1 0 331.500 4.061 40 0 EIABRO Cc1cc(NCC[NH3+])c2c(Cl)ccc(Oc3ccccc3)c2n1 ZINC000222692680 564037503 /nfs/dbraw/zinc/03/75/03/564037503.db2.gz SYZZTDGGQMYQKN-UHFFFAOYSA-N 1 0 327.815 4.360 40 0 EIABRO O=C(NCC1CCCCC1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224535649 564043077 /nfs/dbraw/zinc/04/30/77/564043077.db2.gz VBOMJVABCKQRTP-UHFFFAOYSA-N 1 0 348.918 4.249 40 0 EIABRO Cc1ccc(/C=C/C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224647333 564043384 /nfs/dbraw/zinc/04/33/84/564043384.db2.gz GSOVIYSDNVTSKO-OUKQBFOZSA-N 1 0 348.490 4.311 40 0 EIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cc(C)ccc1C ZINC000225580191 564047936 /nfs/dbraw/zinc/04/79/36/564047936.db2.gz OVUNDYLFXGVATP-KRWDZBQOSA-N 1 0 333.545 4.244 40 0 EIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C)c(C)c1 ZINC000225580332 564047974 /nfs/dbraw/zinc/04/79/74/564047974.db2.gz SFTDFQJEFCXAMY-SFHVURJKSA-N 1 0 333.545 4.244 40 0 EIABRO CCc1ccc(NC(=S)NCCC[N@H+]2CCCC[C@H]2CC)cc1 ZINC000260732948 564052445 /nfs/dbraw/zinc/05/24/45/564052445.db2.gz DHCBNSOECQPTEO-GOSISDBHSA-N 1 0 333.545 4.190 40 0 EIABRO Cc1ncsc1C[NH+]1CCC(C)(c2nc(C)n3ccsc23)CC1 ZINC000257301327 564055108 /nfs/dbraw/zinc/05/51/08/564055108.db2.gz RXYWPFMJJRLVEJ-UHFFFAOYSA-N 1 0 346.525 4.023 40 0 EIABRO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)c(C(C)(C)C)c1 ZINC000026781115 564057180 /nfs/dbraw/zinc/05/71/80/564057180.db2.gz OBRMJGDRGTWSPH-IEBWSBKVSA-N 1 0 341.495 4.383 40 0 EIABRO C[N@@H+]1CC[C@H](C(=O)c2ccccn2)[C@H](CCc2cccc(Cl)c2)C1 ZINC000584577179 564086140 /nfs/dbraw/zinc/08/61/40/564086140.db2.gz BAPXIHGKPWBXOG-AEFFLSMTSA-N 1 0 342.870 4.118 40 0 EIABRO c1coc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000248085371 564124533 /nfs/dbraw/zinc/12/45/33/564124533.db2.gz FCRZKCYWZIJWKU-PKTZIBPZSA-N 1 0 346.474 4.428 40 0 EIABRO c1cnc2[nH]c([C@@H]3CCCO3)c(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)c2c1 ZINC000019345163 564127986 /nfs/dbraw/zinc/12/79/86/564127986.db2.gz CGLBQXCRGUSAEM-BXWFABGCSA-N 1 0 339.483 4.427 40 0 EIABRO C[C@@H]1CC[N@H+](CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)[C@@H]1C ZINC000004416272 210191001 /nfs/dbraw/zinc/19/10/01/210191001.db2.gz DFNGAFHVTDGQKG-QCFAMHMHSA-N 1 0 341.495 4.400 40 0 EIABRO C[C@@H]1CC[N@H+](CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C1 ZINC000004416837 210190813 /nfs/dbraw/zinc/19/08/13/210190813.db2.gz XILWIKWHCRBAJH-HOJAQTOUSA-N 1 0 327.468 4.012 40 0 EIABRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000004416273 210190499 /nfs/dbraw/zinc/19/04/99/210190499.db2.gz DFNGAFHVTDGQKG-YHELAOLJSA-N 1 0 341.495 4.400 40 0 EIABRO Cc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039759546 213242321 /nfs/dbraw/zinc/24/23/21/213242321.db2.gz VRXYJYWFXCHOTL-UHFFFAOYSA-N 1 0 342.870 4.499 40 0 EIABRO Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038849486 213228819 /nfs/dbraw/zinc/22/88/19/213228819.db2.gz YEOMUODSNUMABT-QGZVFWFLSA-N 1 0 342.870 4.499 40 0 EIABRO CCc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038833658 213228380 /nfs/dbraw/zinc/22/83/80/213228380.db2.gz ZQUAHHRAKCPHJT-GOSISDBHSA-N 1 0 340.442 4.239 40 0 EIABRO C[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000035986620 213054339 /nfs/dbraw/zinc/05/43/39/213054339.db2.gz HCVTZZOECXSSPG-XJABCFGWSA-N 1 0 339.479 4.262 40 0 EIABRO Cc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CCCC2)c1 ZINC000035310749 213020288 /nfs/dbraw/zinc/02/02/88/213020288.db2.gz QOHOHNUNUKJMDQ-CTXDPNEZSA-N 1 0 341.499 4.445 40 0 EIABRO COc1cccc(-c2cncc([C@@H]3CCC[N@@H+](C4CCCC4)C3)n2)c1 ZINC000072359260 216165691 /nfs/dbraw/zinc/16/56/91/216165691.db2.gz QRBBETQYSIMGGJ-QGZVFWFLSA-N 1 0 337.467 4.274 40 0 EIABRO Cc1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000072358608 216166311 /nfs/dbraw/zinc/16/63/11/216166311.db2.gz MRRDXKDFGKASBF-IBGZPJMESA-N 1 0 344.462 4.227 40 0 EIABRO Cc1cccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)n2)c1 ZINC000072349950 216160114 /nfs/dbraw/zinc/16/01/14/216160114.db2.gz BQBMDYBDYWURBZ-HXUWFJFHSA-N 1 0 346.478 4.170 40 0 EIABRO Cc1sc2c(C3CC[NH+](Cc4ccncc4)CC3)nc(C)n2c1C ZINC000072351261 216161877 /nfs/dbraw/zinc/16/18/77/216161877.db2.gz OOLJHKRKEPGDKA-UHFFFAOYSA-N 1 0 340.496 4.096 40 0 EIABRO CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000072366753 216172084 /nfs/dbraw/zinc/17/20/84/216172084.db2.gz DYDNAWUCSGPAMS-IBGZPJMESA-N 1 0 348.450 4.003 40 0 EIABRO Fc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4ccccc4)no3)C2)c1F ZINC000072369838 216176853 /nfs/dbraw/zinc/17/68/53/216176853.db2.gz YOEJPHCJYCTMLQ-HNNXBMFYSA-N 1 0 341.361 4.004 40 0 EIABRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389916 216190072 /nfs/dbraw/zinc/19/00/72/216190072.db2.gz RKGGJJGXCUWKKJ-LJQANCHMSA-N 1 0 348.450 4.245 40 0 EIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(Cl)cc1 ZINC000022913899 212332237 /nfs/dbraw/zinc/33/22/37/212332237.db2.gz WNZBNPOVSDWYLO-FQEVSTJZSA-N 1 0 343.902 4.222 40 0 EIABRO Cc1nc(-c2cc(C)nc(CC3CC[NH+](C(C)C)CC3)n2)sc1C ZINC000257215190 244162797 /nfs/dbraw/zinc/16/27/97/244162797.db2.gz CPCRTLNJLXUYOS-UHFFFAOYSA-N 1 0 344.528 4.188 40 0 EIABRO C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCC[N@H+](CC2CC2)C1 ZINC000257242526 244249005 /nfs/dbraw/zinc/24/90/05/244249005.db2.gz ICYUFKKSBBULQQ-FQEVSTJZSA-N 1 0 328.431 4.168 40 0 EIABRO Cc1ccccc1-c1noc([C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000257261988 244351203 /nfs/dbraw/zinc/35/12/03/244351203.db2.gz LJOBWAGTQBWDSD-INIZCTEOSA-N 1 0 337.398 4.174 40 0 EIABRO Clc1ccc(-c2nn(C3CC[NH2+]CC3)cc2-c2ccncc2)cc1 ZINC000019717941 212057433 /nfs/dbraw/zinc/05/74/33/212057433.db2.gz XHBAUKGYNOORKC-UHFFFAOYSA-N 1 0 338.842 4.190 40 0 EIABRO c1nn(C2CCCCC2)cc1-c1cncn1CCC[NH+]1CCCCC1 ZINC000019654577 212052677 /nfs/dbraw/zinc/05/26/77/212052677.db2.gz SYMLXZYNQAQESD-UHFFFAOYSA-N 1 0 341.503 4.128 40 0 EIABRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000019453178 212028249 /nfs/dbraw/zinc/02/82/49/212028249.db2.gz ZGDBXAOBXGOUQP-LJQANCHMSA-N 1 0 348.450 4.245 40 0 EIABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C)n4ccccc34)C2)c1 ZINC000019240675 212009099 /nfs/dbraw/zinc/00/90/99/212009099.db2.gz IPVDFBTZSLAHSX-GOSISDBHSA-N 1 0 335.451 4.031 40 0 EIABRO COc1ccc(NC=CC2=[N+](C)c3ccccc3C2(C)C)c(OC)c1 ZINC000012955958 211493121 /nfs/dbraw/zinc/49/31/21/211493121.db2.gz QWIGSMCPAKBYLY-UHFFFAOYSA-O 1 0 337.443 4.336 40 0 EIABRO COc1ccc(C2([NH2+]Cc3ccccc3-n3cccn3)CCCC2)cc1 ZINC000012328821 211348800 /nfs/dbraw/zinc/34/88/00/211348800.db2.gz FMPWKSIMQCODCY-UHFFFAOYSA-N 1 0 347.462 4.440 40 0 EIABRO Fc1cccc(C[NH+]2CCC(c3cc4ncccc4cn3)CC2)c1F ZINC000012188686 211315040 /nfs/dbraw/zinc/31/50/40/211315040.db2.gz QDRYXPITRZXPMT-UHFFFAOYSA-N 1 0 339.389 4.288 40 0 EIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cccc(O)c2)s1 ZINC000012116698 211296481 /nfs/dbraw/zinc/29/64/81/211296481.db2.gz YLQWYNUXZHDUIU-UHFFFAOYSA-N 1 0 341.480 4.051 40 0 EIABRO Cc1ccc(C[NH+]2CCC3(C[C@H](Oc4ccccc4)CO3)CC2)s1 ZINC000096221811 218698242 /nfs/dbraw/zinc/69/82/42/218698242.db2.gz LTXDYEJQIJMKCI-SFHVURJKSA-N 1 0 343.492 4.259 40 0 EIABRO Cc1cc(/C=C\c2cc[n+](C)c3ccccc23)c(O)c2ncccc12 ZINC000004900400 210316768 /nfs/dbraw/zinc/31/67/68/210316768.db2.gz LUNLWEDILJFNBX-UHFFFAOYSA-O 1 0 327.407 4.397 40 0 EIABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1cccc(C)c1)C2 ZINC000004857060 210303055 /nfs/dbraw/zinc/30/30/55/210303055.db2.gz RNYHLENKICCIME-AYHJJNSGSA-N 1 0 331.529 4.077 40 0 EIABRO O[C@@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000004792093 210278975 /nfs/dbraw/zinc/27/89/75/210278975.db2.gz UXNCENBVWCDNFI-PKTZIBPZSA-N 1 0 345.442 4.105 40 0 EIABRO Cc1ccc(C[NH+]2CCC(C(=O)NC3CCCCCCC3)CC2)cc1 ZINC000039773472 257854476 /nfs/dbraw/zinc/85/44/76/257854476.db2.gz ZZOPCFNNWNWOLC-UHFFFAOYSA-N 1 0 342.527 4.436 40 0 EIABRO O=C(Nc1cccc(Cl)c1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039768367 257855012 /nfs/dbraw/zinc/85/50/12/257855012.db2.gz AYJCQVCOFSYDMO-UHFFFAOYSA-N 1 0 346.833 4.330 40 0 EIABRO CCc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000009063093 257862278 /nfs/dbraw/zinc/86/22/78/257862278.db2.gz HHCATHCGWSRBPI-UHFFFAOYSA-N 1 0 336.479 4.408 40 0 EIABRO CCCCCC[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000007260954 563597788 /nfs/dbraw/zinc/59/77/88/563597788.db2.gz MHUHUDMWRUTMGB-UHFFFAOYSA-N 1 0 330.266 4.136 40 0 EIABRO CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@@H](C)C[NH+](C)C ZINC000001530763 563391321 /nfs/dbraw/zinc/39/13/21/563391321.db2.gz XLMALTXPSGQGBX-AVRDEDQJSA-N 1 0 339.479 4.276 40 0 in-man EIABRO COc1cc2c(cc1OC)[C@H]1CC(C)=C(c3ccccc3)C[N@@H+]1CC2 ZINC000001721514 563407210 /nfs/dbraw/zinc/40/72/10/563407210.db2.gz LNSRYPKSYOWOPL-HXUWFJFHSA-N 1 0 335.447 4.480 40 0 EIABRO COc1cc2c(cc1O)[C@@H](CCc1ccc(Cl)cc1)[N@H+](C)CC2 ZINC000001998269 563417645 /nfs/dbraw/zinc/41/76/45/563417645.db2.gz DSTWURHEHMZWEI-QGZVFWFLSA-N 1 0 331.843 4.216 40 0 in-vitro EIABRO CC(C)CC(CC(C)C)[NH2+]C[C@@H](C)OC(=O)c1ccc(N(C)C)cc1 ZINC000005834634 563551769 /nfs/dbraw/zinc/55/17/69/563551769.db2.gz AEOQPTWXOZLPNF-QGZVFWFLSA-N 1 0 348.531 4.348 40 0 EIABRO O=C(/C=C/c1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007849878 563616565 /nfs/dbraw/zinc/61/65/65/563616565.db2.gz ZJLKJVCUQCYFJT-BUHFOSPRSA-N 1 0 334.463 4.002 40 0 EIABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1cc(C)ccc1C)C2 ZINC000008677179 563634947 /nfs/dbraw/zinc/63/49/47/563634947.db2.gz INQLBNYVUUSPRY-AYHJJNSGSA-N 1 0 345.556 4.385 40 0 EIABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000019133457 563854269 /nfs/dbraw/zinc/85/42/69/563854269.db2.gz YSSZVJUCJGOGQR-QGZVFWFLSA-N 1 0 335.451 4.260 40 0 EIABRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccc(Cl)cc1 ZINC000024367201 563871031 /nfs/dbraw/zinc/87/10/31/563871031.db2.gz BFRXYMRQMNWQCU-UHFFFAOYSA-N 1 0 343.858 4.258 40 0 EIABRO O=C(Nc1ccccc1Cl)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039758262 563901076 /nfs/dbraw/zinc/90/10/76/563901076.db2.gz WVBWWUOYELVSPR-UHFFFAOYSA-N 1 0 346.833 4.330 40 0 EIABRO O=C(NC1CCCCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030943985 563911897 /nfs/dbraw/zinc/91/18/97/563911897.db2.gz YRZXQJKBSUWRHC-IBGZPJMESA-N 1 0 328.500 4.128 40 0 EIABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000245319126 563950321 /nfs/dbraw/zinc/95/03/21/563950321.db2.gz ZKGHLKYIPSVZNW-GSEOLPGOSA-N 1 0 325.537 4.089 40 0 EIABRO C[C@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2CC1CCCCC1 ZINC000585108923 563971669 /nfs/dbraw/zinc/97/16/69/563971669.db2.gz DYQITXZYUGLBKX-UXPWSPDFSA-N 1 0 326.484 4.003 40 0 EIABRO C[N@H+](Cc1ccccc1)[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585288651 563982095 /nfs/dbraw/zinc/98/20/95/563982095.db2.gz GTYWCIAXGNOVJL-XUVXKRRUSA-N 1 0 345.870 4.133 40 0 EIABRO CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072214617 563984877 /nfs/dbraw/zinc/98/48/77/563984877.db2.gz HNIICQCWQHLVEM-INIZCTEOSA-N 1 0 333.476 4.388 40 0 EIABRO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCC[NH2+]1)C1CCC1 ZINC000072215514 563985255 /nfs/dbraw/zinc/98/52/55/563985255.db2.gz AGUGXOKHGLNMQQ-INIZCTEOSA-N 1 0 331.460 4.190 40 0 EIABRO CCOc1cc(C[NH2+]CCOC)ccc1OCc1ccccc1Cl ZINC000008254693 564016021 /nfs/dbraw/zinc/01/60/21/564016021.db2.gz RUQQWFQPLCLTEA-UHFFFAOYSA-N 1 0 349.858 4.054 40 0 EIABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000009063370 564016644 /nfs/dbraw/zinc/01/66/44/564016644.db2.gz PKBCKBGUMRZSKY-UHFFFAOYSA-N 1 0 342.870 4.499 40 0 EIABRO Cc1cccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000009063269 564016648 /nfs/dbraw/zinc/01/66/48/564016648.db2.gz XZUTYSUUUZQWDS-UHFFFAOYSA-N 1 0 342.870 4.499 40 0 EIABRO COC(=O)c1ccc(-c2ccc(C[NH2+]CCc3ccccc3)o2)cc1 ZINC000022076811 564034211 /nfs/dbraw/zinc/03/42/11/564034211.db2.gz FIJKPPVHLSTCAZ-UHFFFAOYSA-N 1 0 335.403 4.066 40 0 EIABRO C[C@@H]1CN(Cc2ccccc2F)CC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000057731503 564035159 /nfs/dbraw/zinc/03/51/59/564035159.db2.gz RVKYZGGJNMQFHU-QGZVFWFLSA-N 1 0 349.453 4.080 40 0 EIABRO CC1CC[NH+](Cc2ccc(C(=O)NCC3CCCCC3)cc2)CC1 ZINC000224332488 564042413 /nfs/dbraw/zinc/04/24/13/564042413.db2.gz CQNRKWHMCWZKCG-UHFFFAOYSA-N 1 0 328.500 4.229 40 0 EIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1(c2ccccc2)CCCC1 ZINC000224407662 564042545 /nfs/dbraw/zinc/04/25/45/564042545.db2.gz APBQIQNAPDZCKI-HXUWFJFHSA-N 1 0 342.527 4.269 40 0 EIABRO Cc1cc(C)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000224520474 564043068 /nfs/dbraw/zinc/04/30/68/564043068.db2.gz VECWYGRYPXXCCZ-UHFFFAOYSA-N 1 0 336.479 4.138 40 0 EIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C)c(C)c1 ZINC000225580301 564047972 /nfs/dbraw/zinc/04/79/72/564047972.db2.gz SFTDFQJEFCXAMY-GOSISDBHSA-N 1 0 333.545 4.244 40 0 EIABRO c1csc(-c2ccc3nc([C@@H]4CCC[N@@H+](CC5CC5)C4)nn3c2)c1 ZINC000306142912 564062381 /nfs/dbraw/zinc/06/23/81/564062381.db2.gz XOBHPHIINAUCTR-MRXNPFEDSA-N 1 0 338.480 4.047 40 0 EIABRO CCc1cc(N2Cc3ccccc3CC2(C)C)nc(N[C@@H](C)CC)[nH+]1 ZINC000329043090 564071839 /nfs/dbraw/zinc/07/18/39/564071839.db2.gz SREKGPDXIOQQQG-HNNXBMFYSA-N 1 0 338.499 4.013 40 0 EIABRO CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1[NH+](C)C ZINC000001842151 564088777 /nfs/dbraw/zinc/08/87/77/564088777.db2.gz YCRFSKUCDBJWLX-HUUCEWRRSA-N 1 0 329.271 4.219 40 0 in-man EIABRO Cn1cccc/c1=[NH+]\c1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000024970647 564092268 /nfs/dbraw/zinc/09/22/68/564092268.db2.gz KNQHILFYRGAFQI-FCDQGJHFSA-N 1 0 340.373 4.450 40 0 EIABRO CC1(C)CCC[N@@H+]1CCOC(=O)[C@H]([C@H]1C=CCC1)[C@H]1C=CCCC1 ZINC000004410938 210188793 /nfs/dbraw/zinc/18/87/93/210188793.db2.gz VBVWXWCTRUOHLX-FHWLQOOXSA-N 1 0 331.500 4.343 40 0 EIABRO COc1ccc(-c2cc(C[C@@H]3C[C@H]([NH2+]C(C)C)C3(C)C)no2)cc1 ZINC000067890051 215242644 /nfs/dbraw/zinc/24/26/44/215242644.db2.gz KDLFMHJYXDXKQO-BEFAXECRSA-N 1 0 328.456 4.305 40 0 biogenic,in-vitro EIABRO O=C1CC2(CC[NH+](Cc3ccccc3)CC2)Oc2ccc(Cl)cc21 ZINC000039331402 213235021 /nfs/dbraw/zinc/23/50/21/213235021.db2.gz YUMXNFQGXIUSKT-UHFFFAOYSA-N 1 0 341.838 4.340 40 0 EIABRO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000038856038 213228762 /nfs/dbraw/zinc/22/87/62/213228762.db2.gz IFZCKBLATFWZED-HXUWFJFHSA-N 1 0 336.479 4.463 40 0 EIABRO Cc1cccc(C)c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038833475 213227656 /nfs/dbraw/zinc/22/76/56/213227656.db2.gz UGJVWXBCLOIOCB-GOSISDBHSA-N 1 0 340.442 4.293 40 0 EIABRO Fc1ccc2oc([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)nc2c1 ZINC000035446905 213028883 /nfs/dbraw/zinc/02/88/83/213028883.db2.gz RYSXPHMUGNAKMZ-LBPRGKRZSA-N 1 0 332.325 4.235 40 0 biogenic,in-vitro EIABRO Fc1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000072358576 216165989 /nfs/dbraw/zinc/16/59/89/216165989.db2.gz FEWNBQXSSHAZST-SFHVURJKSA-N 1 0 348.425 4.057 40 0 EIABRO c1ccc(Cc2cccc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072348936 216161081 /nfs/dbraw/zinc/16/10/81/216161081.db2.gz GPXNHZFXLJMJJB-HXUWFJFHSA-N 1 0 343.474 4.447 40 0 EIABRO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccco2)n1 ZINC000072366750 216171903 /nfs/dbraw/zinc/17/19/03/216171903.db2.gz MHQCXMYZJXQRCY-SFHVURJKSA-N 1 0 336.439 4.321 40 0 EIABRO CC(C)c1nccn1-c1cncc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072378666 216181247 /nfs/dbraw/zinc/18/12/47/216181247.db2.gz BIZHFRNUWHXQEJ-IBGZPJMESA-N 1 0 347.466 4.123 40 0 EIABRO CC(C)c1ccc(C[N@@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389915 216189435 /nfs/dbraw/zinc/18/94/35/216189435.db2.gz RKGGJJGXCUWKKJ-IBGZPJMESA-N 1 0 348.450 4.245 40 0 EIABRO COc1ccc2cc(C[NH2+][C@@H]3CCN(Cc4ccccc4)C3)ccc2c1 ZINC000023247702 212363224 /nfs/dbraw/zinc/36/32/24/212363224.db2.gz MQPVEGYTPAORFR-JOCHJYFZSA-N 1 0 346.474 4.213 40 0 EIABRO COc1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000022511714 212303408 /nfs/dbraw/zinc/30/34/08/212303408.db2.gz PJBUDIZPGCFMIX-INIZCTEOSA-N 1 0 338.451 4.179 40 0 EIABRO CCOc1cc(C[NH2+]CCc2ccccc2)cc(Cl)c1OCC ZINC000022074376 212275396 /nfs/dbraw/zinc/27/53/96/212275396.db2.gz XHHAKRRKFHQJOP-UHFFFAOYSA-N 1 0 333.859 4.470 40 0 EIABRO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000216159218 241172035 /nfs/dbraw/zinc/17/20/35/241172035.db2.gz JWXQADRPFBUSRO-QZTJIDSGSA-N 1 0 336.479 4.410 40 0 EIABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(C)CCCC2)cc1 ZINC000225597132 241944752 /nfs/dbraw/zinc/94/47/52/241944752.db2.gz MHWUXWOLSIKFKL-UHFFFAOYSA-N 1 0 332.488 4.316 40 0 EIABRO COc1cccc(Cc2cnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)c1 ZINC000257209403 244147170 /nfs/dbraw/zinc/14/71/70/244147170.db2.gz BQEXHEUDIFLNQJ-LJQANCHMSA-N 1 0 348.446 4.264 40 0 EIABRO Cc1cc(C)n(C2CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)n1 ZINC000019659011 212054272 /nfs/dbraw/zinc/05/42/72/212054272.db2.gz UYDFGRBOFPKSOK-UHFFFAOYSA-N 1 0 339.483 4.051 40 0 EIABRO CCCc1ncc(C[NH2+][C@@H]2[C@@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)cn1 ZINC000019525798 212037643 /nfs/dbraw/zinc/03/76/43/212037643.db2.gz GPFKFJRURVSOHE-WAGURGNTSA-N 1 0 335.495 4.491 40 0 EIABRO CC(C)(C)c1ccc(OCCCCCCCN2CC[NH2+]CC2)cc1 ZINC000019364915 212020913 /nfs/dbraw/zinc/02/09/13/212020913.db2.gz FOSVBTQPTUYWRY-UHFFFAOYSA-N 1 0 332.532 4.219 40 0 EIABRO O=c1[nH]cc(-c2ccc(Cl)cc2)cc1C[NH2+]Cc1ccccc1F ZINC000019349548 212020353 /nfs/dbraw/zinc/02/03/53/212020353.db2.gz VBEHHBDFBYFRIY-UHFFFAOYSA-N 1 0 342.801 4.124 40 0 EIABRO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@@H](C)Cc1ccccn1 ZINC000012148180 211308381 /nfs/dbraw/zinc/30/83/81/211308381.db2.gz RZXKASRTKVVAHW-KRWDZBQOSA-N 1 0 348.494 4.256 40 0 EIABRO CC(C)(C)[NH2+]C[C@@H](O)c1ccc(OCc2ccccc2)cc1Cl ZINC000095080057 218274881 /nfs/dbraw/zinc/27/48/81/218274881.db2.gz QLPAWSIKHUCMIC-GOSISDBHSA-N 1 0 333.859 4.341 40 0 EIABRO Cc1cc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc(C)c1OCc1ccccc1 ZINC000095095429 218280823 /nfs/dbraw/zinc/28/08/23/218280823.db2.gz OVDJUQYUOICPAP-SFHVURJKSA-N 1 0 349.434 4.357 40 0 EIABRO C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008535062 210963790 /nfs/dbraw/zinc/96/37/90/210963790.db2.gz YUJYJMOZWOFBAR-GFCCVEGCSA-N 1 0 340.250 4.043 40 0 EIABRO O=C(CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(Br)cc1 ZINC000004934795 210328667 /nfs/dbraw/zinc/32/86/67/210328667.db2.gz CVVXHUZYGHJZKJ-KBPBESRZSA-N 1 0 336.273 4.144 40 0 EIABRO CC[NH+](CC)Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000000557473 257869921 /nfs/dbraw/zinc/86/99/21/257869921.db2.gz ULKYXZAKDSLVCM-UHFFFAOYSA-N 1 0 330.859 4.363 40 0 EIABRO C[C@@H]([NH2+]Cc1[nH]nnc1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000016576096 257857437 /nfs/dbraw/zinc/85/74/37/257857437.db2.gz IHZAQHLUYLVFSW-LFPRZYRFSA-N 1 0 336.483 4.166 40 0 EIABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000255189757 534906285 /nfs/dbraw/zinc/90/62/85/534906285.db2.gz RVRXLTUWAXBOKA-WKILWMFISA-N 1 0 338.879 4.266 40 0 EIABRO CCC(=O)N1CCC[C@H](c2cc(Nc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000257211652 535305469 /nfs/dbraw/zinc/30/54/69/535305469.db2.gz BZSQTJRWUOYMTO-HNNXBMFYSA-N 1 0 341.430 4.389 40 0 EIABRO C[NH+](C)CCO[C@](C)(c1ccccc1)c1ccc(Br)cc1 ZINC000000000246 563211387 /nfs/dbraw/zinc/21/13/87/563211387.db2.gz URSRSKSNFPUKGH-GOSISDBHSA-N 1 0 348.284 4.291 40 0 in-man EIABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 ZINC000000568295 563348098 /nfs/dbraw/zinc/34/80/98/563348098.db2.gz JINWJYOZBWPWOY-UHFFFAOYSA-N 1 0 346.858 4.443 40 0 EIABRO C[C@@]1(C[NH+]2CCCCC2)COc2c(Cl)cc(Cl)cc2C1=O ZINC000001589157 563395013 /nfs/dbraw/zinc/39/50/13/563395013.db2.gz YGBVBZDKRPFWNT-MRXNPFEDSA-N 1 0 328.239 4.061 40 0 EIABRO CC[C@@H](CNc1cc(OC)cc2cccnc21)[NH2+]C1CCCCC1 ZINC000001591915 563395104 /nfs/dbraw/zinc/39/51/04/563395104.db2.gz BQBNRUUEFJVRMO-INIZCTEOSA-N 1 0 327.472 4.356 40 0 EIABRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000006857387 563589021 /nfs/dbraw/zinc/58/90/21/563589021.db2.gz QFIVOAHOKDZEKA-UHFFFAOYSA-N 1 0 348.531 4.285 40 0 EIABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccc(Cl)cc1 ZINC000031664304 563912900 /nfs/dbraw/zinc/91/29/00/563912900.db2.gz ZOGJVCMSXHTONR-UHFFFAOYSA-N 1 0 343.858 4.258 40 0 EIABRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000016780522 563950133 /nfs/dbraw/zinc/95/01/33/563950133.db2.gz HCVTZZOECXSSPG-ZNLUXHQJSA-N 1 0 339.479 4.262 40 0 EIABRO CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000585100006 563971464 /nfs/dbraw/zinc/97/14/64/563971464.db2.gz CGWHBWOYWYHLDB-OAQYLSRUSA-N 1 0 328.500 4.177 40 0 EIABRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cccc4ccccc43)O2)n1 ZINC000096040884 563977979 /nfs/dbraw/zinc/97/79/79/563977979.db2.gz OEYHVOAARFWUHQ-AQNXPRMDSA-N 1 0 349.434 4.026 40 0 EIABRO c1cc(C[NH+]2CCC3(C[C@@H](OCc4ccccc4)CO3)CC2)cs1 ZINC000096047848 563978325 /nfs/dbraw/zinc/97/83/25/563978325.db2.gz RLZFCOIUXSHENL-LJQANCHMSA-N 1 0 343.492 4.088 40 0 EIABRO c1cc(C[NH+]2CCC3(C[C@H](OCc4ccccc4)CO3)CC2)cs1 ZINC000096047849 563978368 /nfs/dbraw/zinc/97/83/68/563978368.db2.gz RLZFCOIUXSHENL-IBGZPJMESA-N 1 0 343.492 4.088 40 0 EIABRO CCC[NH+]1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 ZINC000096155763 563979782 /nfs/dbraw/zinc/97/97/82/563979782.db2.gz MJOAXDCESFNFCC-UHFFFAOYSA-N 1 0 338.430 4.125 40 0 EIABRO CC[N@H+](Cc1ccccc1)[C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O ZINC000585289548 563981999 /nfs/dbraw/zinc/98/19/99/563981999.db2.gz RKYYMCUIABLXET-BHDDXSALSA-N 1 0 339.479 4.178 40 0 EIABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214458 563984761 /nfs/dbraw/zinc/98/47/61/563984761.db2.gz BSWGDKWDLUSTNH-MRXNPFEDSA-N 1 0 333.476 4.388 40 0 EIABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214456 563984767 /nfs/dbraw/zinc/98/47/67/563984767.db2.gz KFAGRCPORBYQAP-MRXNPFEDSA-N 1 0 333.476 4.390 40 0 EIABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000005788603 564006078 /nfs/dbraw/zinc/00/60/78/564006078.db2.gz JTFAPYUEBOLXAA-LXDWIVHCSA-N 1 0 333.516 4.176 40 0 EIABRO CC(C)[NH2+]C[C@@H](COc1cccc2ccccc21)OC(=O)C(C)(C)C ZINC000003118616 564006094 /nfs/dbraw/zinc/00/60/94/564006094.db2.gz SLLKYDIVPRYTBW-KRWDZBQOSA-N 1 0 343.467 4.175 40 0 EIABRO Clc1ccc(C2=C[C@@H](c3ccccc3)N3NC=NC3=[NH+]2)cc1Cl ZINC000409058999 564009271 /nfs/dbraw/zinc/00/92/71/564009271.db2.gz QEKUNZIAZMAIBG-INIZCTEOSA-N 1 0 343.217 4.294 40 0 EIABRO COCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008469121 564016338 /nfs/dbraw/zinc/01/63/38/564016338.db2.gz MUANPFGAKWLSSY-UHFFFAOYSA-N 1 0 340.250 4.308 40 0 EIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000009063164 564016606 /nfs/dbraw/zinc/01/66/06/564016606.db2.gz UREIHQQEAACLEX-UHFFFAOYSA-N 1 0 344.405 4.124 40 0 EIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cc(C)cc(C)c1 ZINC000225580260 564047988 /nfs/dbraw/zinc/04/79/88/564047988.db2.gz FNSCLBXFBVFERI-SFHVURJKSA-N 1 0 333.545 4.244 40 0 EIABRO CCOc1ccc(NC(=S)NCCC[N@@H+]2CCCC[C@H]2CC)cc1 ZINC000260735098 564052465 /nfs/dbraw/zinc/05/24/65/564052465.db2.gz FMFKGDVBHGHQFY-QGZVFWFLSA-N 1 0 349.544 4.026 40 0 EIABRO Cc1noc(C)c1-c1cc(C2CC[NH+](Cc3ccncc3)CC2)ccn1 ZINC000257290444 564054893 /nfs/dbraw/zinc/05/48/93/564054893.db2.gz QCZFWHCENWCUON-UHFFFAOYSA-N 1 0 348.450 4.128 40 0 EIABRO C[C@H](C[N@@H+]1CCC[C@@H](n2c3ccccc3oc2=O)C1)c1ccccc1 ZINC000012119146 564127864 /nfs/dbraw/zinc/12/78/64/564127864.db2.gz QZBANVDLACHLEC-SJLPKXTDSA-N 1 0 336.435 4.035 40 0 EIABRO O=C(OCc1ccccc1C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000001716174 209785170 /nfs/dbraw/zinc/78/51/70/209785170.db2.gz MPZZWGZQSNRPJI-UHFFFAOYSA-N 1 0 329.827 4.293 40 0 EIABRO CC[NH+](CC)CCSCCCNc1cc(OC)cc2cccnc21 ZINC000001706297 209783131 /nfs/dbraw/zinc/78/31/31/209783131.db2.gz ORHRCDXTMAQYTM-UHFFFAOYSA-N 1 0 347.528 4.120 40 0 EIABRO CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1N(CC)CC ZINC000040164041 213278704 /nfs/dbraw/zinc/27/87/04/213278704.db2.gz HOGVROIWIZFUCY-UHFFFAOYSA-N 1 0 340.345 4.277 40 0 EIABRO Cc1c(Cl)cccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038849605 213228497 /nfs/dbraw/zinc/22/84/97/213228497.db2.gz YDKAIBPKEMMSMF-QGZVFWFLSA-N 1 0 342.870 4.499 40 0 EIABRO Fc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)nc2c1 ZINC000035446591 213028666 /nfs/dbraw/zinc/02/86/66/213028666.db2.gz YKWBVMSKVHRDJR-ZDUSSCGKSA-N 1 0 329.806 4.345 40 0 biogenic,in-vitro EIABRO CC[C@H](C)C[C@@H](C)/C=C/CC[C@H](O)[C@@H](Cc1ccc(O)cc1)[NH2+]C ZINC000035458725 213030413 /nfs/dbraw/zinc/03/04/13/213030413.db2.gz RNCWKUCWPBNWOH-NXCCARGISA-N 1 0 333.516 4.292 40 0 biogenic,in-vitro EIABRO Cc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000072358563 216165942 /nfs/dbraw/zinc/16/59/42/216165942.db2.gz DXSQOAUITVYQKD-HXUWFJFHSA-N 1 0 344.462 4.227 40 0 EIABRO Cc1cccc(-c2cccc([C@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)n2)c1 ZINC000072349951 216160489 /nfs/dbraw/zinc/16/04/89/216160489.db2.gz BQBMDYBDYWURBZ-FQEVSTJZSA-N 1 0 346.478 4.170 40 0 EIABRO Cc1cc(C)nc(Nc2ccc([C@H]3CCC[N@@H+](CC(C)C)C3)nc2)n1 ZINC000072353255 216161904 /nfs/dbraw/zinc/16/19/04/216161904.db2.gz JBKGVHFPTWIZPZ-KRWDZBQOSA-N 1 0 339.487 4.067 40 0 EIABRO Clc1ccccc1C[N@@H+]1CC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000072369818 216177198 /nfs/dbraw/zinc/17/71/98/216177198.db2.gz OZXOTQMGYZXBPC-INIZCTEOSA-N 1 0 339.826 4.380 40 0 EIABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4ccccc4C)C3)n2)c1 ZINC000072369883 216177212 /nfs/dbraw/zinc/17/72/12/216177212.db2.gz OEKAIRUTCSRKQK-SFHVURJKSA-N 1 0 349.434 4.043 40 0 EIABRO CC(C)[N@@H+]1CCCCC[C@@H]1Cc1c2ccccc2sc1C(N)=O ZINC000072370759 216177312 /nfs/dbraw/zinc/17/73/12/216177312.db2.gz LCTQVRMPRQXPBI-CQSZACIVSA-N 1 0 330.497 4.196 40 0 EIABRO c1cn(-c2cccc([C@@H]3CCC[N@@H+](CCCc4ccccc4)C3)n2)cn1 ZINC000072378672 216182027 /nfs/dbraw/zinc/18/20/27/216182027.db2.gz WSUOYKBKUOEHKM-HXUWFJFHSA-N 1 0 346.478 4.080 40 0 EIABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072379083 216180703 /nfs/dbraw/zinc/18/07/03/216180703.db2.gz WCRMGQMGHXLGKM-IBGZPJMESA-N 1 0 332.451 4.167 40 0 EIABRO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072379084 216180844 /nfs/dbraw/zinc/18/08/44/216180844.db2.gz WCRMGQMGHXLGKM-LJQANCHMSA-N 1 0 332.451 4.167 40 0 EIABRO CCC[N@@H+]1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)NC ZINC000072370622 216178112 /nfs/dbraw/zinc/17/81/12/216178112.db2.gz LWCQMVSOJBQFRD-HNNXBMFYSA-N 1 0 344.524 4.458 40 0 EIABRO CCOc1ccc(Cl)cc1C[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000022074386 212275568 /nfs/dbraw/zinc/27/55/68/212275568.db2.gz WWHSZRNZQFUMAI-UHFFFAOYSA-N 1 0 349.858 4.088 40 0 EIABRO CC(C)Cc1ncc(-c2cncc([C@@H]3CCC[N@@H+](C(C)C)C3)n2)s1 ZINC000257257352 244284121 /nfs/dbraw/zinc/28/41/21/244284121.db2.gz KPDZIAUZSGOKEZ-OAHLLOKOSA-N 1 0 344.528 4.386 40 0 EIABRO COc1ccccc1C1([NH2+]Cc2[nH]nnc2-c2ccccc2)CCCC1 ZINC000019569173 212043359 /nfs/dbraw/zinc/04/33/59/212043359.db2.gz MARYVZWFAADOSY-UHFFFAOYSA-N 1 0 348.450 4.039 40 0 EIABRO C[C@H]1c2ccsc2CC[N@H+]1Cc1cccc(Oc2ncccn2)c1 ZINC000019498369 212032609 /nfs/dbraw/zinc/03/26/09/212032609.db2.gz GHABZVRLKUVNQR-AWEZNQCLSA-N 1 0 337.448 4.450 40 0 EIABRO c1csc(-c2nnc(C3CC[NH+](Cc4ccccc4)CC3)o2)c1 ZINC000019371883 212022673 /nfs/dbraw/zinc/02/26/73/212022673.db2.gz IJLRBKRPASUTMM-UHFFFAOYSA-N 1 0 325.437 4.178 40 0 EIABRO Fc1ccc([C@@H]2C[N@H+](C[C@@H]3CC=CCC3)C[C@H]2c2cc[nH]n2)cc1 ZINC000019336155 212017722 /nfs/dbraw/zinc/01/77/22/212017722.db2.gz XVONKGMTBGMJLZ-AYOQOUSVSA-N 1 0 325.431 4.088 40 0 EIABRO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2CC2CCCCC2)on1 ZINC000019120879 212000662 /nfs/dbraw/zinc/00/06/62/212000662.db2.gz XTZVRHSCAKOCRD-KRWDZBQOSA-N 1 0 328.460 4.480 40 0 EIABRO Clc1ccc(C2([NH2+]Cc3ccnn3[C@@H]3CCCCO3)CC2)cc1 ZINC000012361967 211355939 /nfs/dbraw/zinc/35/59/39/211355939.db2.gz BEFFCXPDRSHDRS-KRWDZBQOSA-N 1 0 331.847 4.015 40 0 EIABRO C=Cc1ccc(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119082 211298043 /nfs/dbraw/zinc/29/80/43/211298043.db2.gz XZUGLSUENHORLW-GOSISDBHSA-N 1 0 334.419 4.075 40 0 EIABRO CC(C)OCCC[N@H+](Cc1ccc2ncccc2c1)Cc1ccccn1 ZINC000012118138 211297179 /nfs/dbraw/zinc/29/71/79/211297179.db2.gz SITWOXNIBKIDJU-UHFFFAOYSA-N 1 0 349.478 4.447 40 0 EIABRO CCCCOc1c(C)cc(-c2noc([C@@H]3CCCC[NH2+]3)n2)cc1C ZINC000095095403 218280957 /nfs/dbraw/zinc/28/09/57/218280957.db2.gz PCFDAUYVSQNTJM-INIZCTEOSA-N 1 0 329.444 4.347 40 0 EIABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000005043184 210373062 /nfs/dbraw/zinc/37/30/62/210373062.db2.gz YZZLWRCPCIMEHR-YDETXVTLSA-N 1 0 325.537 4.088 40 0 EIABRO S=C(Nc1cccc(Cl)c1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1 ZINC000004886624 210312012 /nfs/dbraw/zinc/31/20/12/210312012.db2.gz YUJLCEAQWFDVFW-ZXFUBFMLSA-N 1 0 349.931 4.174 40 0 EIABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000255187890 534905873 /nfs/dbraw/zinc/90/58/73/534905873.db2.gz HJXTYXBRUADTPA-WKILWMFISA-N 1 0 338.879 4.266 40 0 EIABRO CC[C@H](COC(=O)c1ccc(N(CC)CC)cc1)[NH2+]C1CCCCC1 ZINC000001710574 563406195 /nfs/dbraw/zinc/40/61/95/563406195.db2.gz PLQKKAZRAIJJLE-GOSISDBHSA-N 1 0 346.515 4.391 40 0 EIABRO C=C[NH2+]CCc1nc2ccccc2n1CCOc1ccccc1Cl ZINC000005235852 563524085 /nfs/dbraw/zinc/52/40/85/563524085.db2.gz SQAKIIXHQJLJNW-UHFFFAOYSA-N 1 0 341.842 4.044 40 0 EIABRO CC[C@@H](C)[NH2+][C@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 ZINC000005476278 563534296 /nfs/dbraw/zinc/53/42/96/563534296.db2.gz SYOCBNWEFSCYBH-DNVCBOLYSA-N 1 0 349.430 4.495 40 0 EIABRO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000006355908 563565615 /nfs/dbraw/zinc/56/56/15/563565615.db2.gz YSBWPYOHMLOJIM-ZIFCJYIRSA-N 1 0 327.468 4.291 40 0 EIABRO O=C(OCCC[NH+]1CCCC1)[C@H](c1ccccc1)C1CCCCC1 ZINC000006582078 563573481 /nfs/dbraw/zinc/57/34/81/563573481.db2.gz YKAPNTZTWOACFB-HXUWFJFHSA-N 1 0 329.484 4.380 40 0 EIABRO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)CO[C@@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2 ZINC000006617285 563574694 /nfs/dbraw/zinc/57/46/94/563574694.db2.gz IZSDRPZNOODBAV-LHUKNYEISA-N 1 0 339.564 4.383 40 0 EIABRO CCOc1cccc(C[NH2+]Cc2ccncc2)c1OCc1ccccc1 ZINC000006870598 563589775 /nfs/dbraw/zinc/58/97/75/563589775.db2.gz KEJHHVZXUMOVIJ-UHFFFAOYSA-N 1 0 348.446 4.349 40 0 EIABRO C[C@@H]1CCCN(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)C1 ZINC000013668827 563708162 /nfs/dbraw/zinc/70/81/62/563708162.db2.gz CFGSGSPULYIXHA-GOSISDBHSA-N 1 0 348.490 4.117 40 0 EIABRO Cc1ccccc1C[N@@H+]1CC[C@H](c2nc(-c3cccs3)no2)C1 ZINC000019237166 563855396 /nfs/dbraw/zinc/85/53/96/563855396.db2.gz WOGMYKLKAAQWJT-HNNXBMFYSA-N 1 0 325.437 4.096 40 0 EIABRO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099672 563971390 /nfs/dbraw/zinc/97/13/90/563971390.db2.gz WBBARXKFNPVNHN-AVRDEDQJSA-N 1 0 340.511 4.252 40 0 EIABRO Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@]2(CC[N@H+]2CC(C)C)C1 ZINC000585101865 563971461 /nfs/dbraw/zinc/97/14/61/563971461.db2.gz JLIALHQJFPDFIQ-NRFANRHFSA-N 1 0 346.515 4.222 40 0 EIABRO Cc1ccc(CN2CC[C@@H]([N@@H+](C)C(C)C)[C@@H]2Cc2ccccc2)o1 ZINC000096061662 563978951 /nfs/dbraw/zinc/97/89/51/563978951.db2.gz CXBMTXNVZZYVEJ-RTWAWAEBSA-N 1 0 326.484 4.114 40 0 EIABRO c1nc(Nc2ccc(C[C@H]3CC[NH2+]C3)cn2)sc1-c1ccccc1 ZINC000585262927 563980916 /nfs/dbraw/zinc/98/09/16/563980916.db2.gz PSUGMEBVVPSBSG-OAHLLOKOSA-N 1 0 336.464 4.101 40 0 EIABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](C2CCC2)CC1 ZINC000585281718 563981755 /nfs/dbraw/zinc/98/17/55/563981755.db2.gz QDEUCSOFAUGPPL-UHFFFAOYSA-N 1 0 344.282 4.406 40 0 EIABRO Cc1cc(OC[C@@]2(O)CCC[N@@H+](C3CCCC3)C2)cc(C)c1Cl ZINC000585281625 563981749 /nfs/dbraw/zinc/98/17/49/563981749.db2.gz NLUNBULFLQCLDI-LJQANCHMSA-N 1 0 337.891 4.105 40 0 EIABRO CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC000072214634 563984842 /nfs/dbraw/zinc/98/48/42/563984842.db2.gz HIVVOQJZYOAFKF-MRXNPFEDSA-N 1 0 333.476 4.390 40 0 EIABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214909 563984968 /nfs/dbraw/zinc/98/49/68/563984968.db2.gz HYMMMBSFKDMJPS-MRXNPFEDSA-N 1 0 333.476 4.388 40 0 EIABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2C)cn1 ZINC000072214964 563985040 /nfs/dbraw/zinc/98/50/40/563985040.db2.gz XPFGMUNPFZGCQG-MRXNPFEDSA-N 1 0 333.476 4.390 40 0 EIABRO CCC[C@@H](C)NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000006324843 563992229 /nfs/dbraw/zinc/99/22/29/563992229.db2.gz OBZPODHXSNSOQP-QGZVFWFLSA-N 1 0 336.479 4.163 40 0 EIABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000010542859 564017450 /nfs/dbraw/zinc/01/74/50/564017450.db2.gz SAFCROCOINQTEZ-IRXDYDNUSA-N 1 0 330.516 4.082 40 0 EIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccsc2)s1 ZINC000013991334 564020832 /nfs/dbraw/zinc/02/08/32/564020832.db2.gz YAAVWYXYNNLAHD-UHFFFAOYSA-N 1 0 331.510 4.407 40 0 EIABRO C[C@H]([NH2+]Cc1[nH]nnc1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000016576098 564024655 /nfs/dbraw/zinc/02/46/55/564024655.db2.gz IHZAQHLUYLVFSW-HILYYZTDSA-N 1 0 336.483 4.166 40 0 EIABRO COc1ccc([C@H]2CC(N)=[NH+]N2c2ccc(Cl)cc2Cl)cc1 ZINC000222547551 564036929 /nfs/dbraw/zinc/03/69/29/564036929.db2.gz GKOGTZXPAJJIHA-OAHLLOKOSA-N 1 0 336.222 4.226 40 0 EIABRO CC(C)(Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000223657765 564040546 /nfs/dbraw/zinc/04/05/46/564040546.db2.gz LJFUMGWRZCQSQU-UHFFFAOYSA-N 1 0 336.479 4.034 40 0 EIABRO CCCC[C@H](CC)CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000224525535 564043045 /nfs/dbraw/zinc/04/30/45/564043045.db2.gz GTQVAXCCVNOXPA-SFHVURJKSA-N 1 0 330.516 4.231 40 0 EIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(Cl)cc1 ZINC000225580615 564048002 /nfs/dbraw/zinc/04/80/02/564048002.db2.gz SQWRVABDZDBXQB-INIZCTEOSA-N 1 0 339.936 4.281 40 0 EIABRO CC(C)[N@@H+]1CCC[C@H]1c1cccc(N2CC3(CCCCC3)OC2=O)n1 ZINC000257291625 564054859 /nfs/dbraw/zinc/05/48/59/564054859.db2.gz QHXCZYAGGFTMRH-KRWDZBQOSA-N 1 0 343.471 4.286 40 0 EIABRO CC(C)Cc1ncc(-c2cncc(C3CC[NH+](C(C)C)CC3)n2)s1 ZINC000257342198 564055788 /nfs/dbraw/zinc/05/57/88/564055788.db2.gz ZNNDDLONHIJVDG-UHFFFAOYSA-N 1 0 344.528 4.386 40 0 EIABRO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)c(C(C)(C)C)c1 ZINC000026781117 564057177 /nfs/dbraw/zinc/05/71/77/564057177.db2.gz OBRMJGDRGTWSPH-PKOBYXMFSA-N 1 0 341.495 4.383 40 0 EIABRO CC[C@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)nc(C)[nH+]1 ZINC000329027008 564071685 /nfs/dbraw/zinc/07/16/85/564071685.db2.gz PQAKWOVEDHUTPD-LBPRGKRZSA-N 1 0 330.863 4.212 40 0 EIABRO Cc1nc(N2CCc3cc(Cl)ccc3C2)cc(NC2CCCC2)[nH+]1 ZINC000329051899 564071947 /nfs/dbraw/zinc/07/19/47/564071947.db2.gz UYRRMIXSRWADQA-UHFFFAOYSA-N 1 0 342.874 4.356 40 0 EIABRO C[N@@H+]1CC[C@@H](C(=O)c2ccccn2)[C@H](CCc2cccc(Cl)c2)C1 ZINC000584577185 564086146 /nfs/dbraw/zinc/08/61/46/564086146.db2.gz BAPXIHGKPWBXOG-SJLPKXTDSA-N 1 0 342.870 4.118 40 0 EIABRO C[NH+](C)Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)c2ccccc12 ZINC000228928101 564118144 /nfs/dbraw/zinc/11/81/44/564118144.db2.gz JXUDSRICVHOYIT-UHFFFAOYSA-N 1 0 333.357 4.293 40 0 EIABRO Cc1cccc(C[NH+]2CCC(C(=O)N3CCCc4ccccc43)CC2)c1 ZINC000009062585 564127620 /nfs/dbraw/zinc/12/76/20/564127620.db2.gz MRJYPPIPMFUIKQ-UHFFFAOYSA-N 1 0 348.490 4.186 40 0 EIABRO Cc1cc2nc(CO[C@H]3C[N@@H+](C4CCCCC4)C[C@H]3F)[nH]c2cc1C ZINC000096112335 564145390 /nfs/dbraw/zinc/14/53/90/564145390.db2.gz LFBLJAYSWQPIIL-APWZRJJASA-N 1 0 345.462 4.051 40 0 biogenic,in-vitro EIABRO O=C1CC2(CC[NH+](Cc3ccccc3)CC2)Oc2c(Cl)cccc21 ZINC000098178553 219086291 /nfs/dbraw/zinc/08/62/91/219086291.db2.gz PNHVFNXARSPXPK-UHFFFAOYSA-N 1 0 341.838 4.340 40 0 EIABRO C[C@H](C[NH+]1CCCC1)OC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000004416233 210191356 /nfs/dbraw/zinc/19/13/56/210191356.db2.gz IVQGMURVQGDFDP-HOJAQTOUSA-N 1 0 327.468 4.154 40 0 EIABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000100809405 219107446 /nfs/dbraw/zinc/10/74/46/219107446.db2.gz RVRXLTUWAXBOKA-IYBDPMFKSA-N 1 0 338.879 4.266 40 0 EIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC000039762915 213242768 /nfs/dbraw/zinc/24/27/68/213242768.db2.gz FURDGEVMOIUPQI-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000039768587 213242760 /nfs/dbraw/zinc/24/27/60/213242760.db2.gz AOLZPOUVHZZLSB-UHFFFAOYSA-N 1 0 340.442 4.293 40 0 EIABRO Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1C ZINC000039755414 213241984 /nfs/dbraw/zinc/24/19/84/213241984.db2.gz YFUFPYOCAWIVBK-UHFFFAOYSA-N 1 0 340.442 4.293 40 0 EIABRO O=C(Nc1ccccc1Cl)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038833770 213228362 /nfs/dbraw/zinc/22/83/62/213228362.db2.gz SVWALLMTQFUFIT-OAHLLOKOSA-N 1 0 346.833 4.330 40 0 EIABRO Cc1ccc(CNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000038848789 213227872 /nfs/dbraw/zinc/22/78/72/213227872.db2.gz KGFDLAXXKWFWEA-SFHVURJKSA-N 1 0 336.479 4.157 40 0 EIABRO CC1(C)CC(N(Cc2ccsc2)Cc2cccnc2)CC(C)(C)[NH2+]1 ZINC000036740529 213115089 /nfs/dbraw/zinc/11/50/89/213115089.db2.gz BJERVKKZVKECNM-UHFFFAOYSA-N 1 0 343.540 4.455 40 0 EIABRO CC[C@H](C)C[C@H](C)/C=C/CC[C@H](O)[C@@H](Cc1ccc(O)cc1)[NH2+]C ZINC000035458730 213030325 /nfs/dbraw/zinc/03/03/25/213030325.db2.gz RNCWKUCWPBNWOH-MOHYCJJMSA-N 1 0 333.516 4.292 40 0 biogenic,in-vitro EIABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2)C3)cc1 ZINC000035290312 213018599 /nfs/dbraw/zinc/01/85/99/213018599.db2.gz GHTIMUJOQBTQAR-FRIKZZABSA-N 1 0 348.490 4.311 40 0 EIABRO Fc1ccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000072358572 216166024 /nfs/dbraw/zinc/16/60/24/216166024.db2.gz GCBYFFBIXAYJNW-GOSISDBHSA-N 1 0 348.425 4.057 40 0 EIABRO O=c1[nH]c(C2CC[NH+](Cc3ccc(F)cc3)CC2)cc2ccccc21 ZINC000072360991 216167425 /nfs/dbraw/zinc/16/74/25/216167425.db2.gz YHNLOPDAFIEJMB-UHFFFAOYSA-N 1 0 336.410 4.459 40 0 EIABRO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)o2)s1 ZINC000072390089 216190568 /nfs/dbraw/zinc/19/05/68/216190568.db2.gz JHSQZSNCRFPILO-MRXNPFEDSA-N 1 0 339.464 4.486 40 0 EIABRO C[n+]1cc(Br)cc(-c2nc3ccc(Cl)cc3s2)c1 ZINC000226776781 242115504 /nfs/dbraw/zinc/11/55/04/242115504.db2.gz QROWJKKTXLJOFJ-UHFFFAOYSA-N 1 0 340.653 4.204 40 0 EIABRO CC[n+]1cc(Br)cc(-c2nc3ccc(F)cc3s2)c1 ZINC000226776822 242115709 /nfs/dbraw/zinc/11/57/09/242115709.db2.gz KPTGCDVDJQQMPY-UHFFFAOYSA-N 1 0 338.225 4.172 40 0 EIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)C1 ZINC000020042661 212097145 /nfs/dbraw/zinc/09/71/45/212097145.db2.gz GLIXAVBDHRLAQD-CQSZACIVSA-N 1 0 344.405 4.449 40 0 EIABRO C[N@H+](CCn1cncc1-c1cnn(C2CCCCC2)c1)C1CCCC1 ZINC000019719959 212057750 /nfs/dbraw/zinc/05/77/50/212057750.db2.gz ANPOZWDARIJUBB-UHFFFAOYSA-N 1 0 341.503 4.126 40 0 EIABRO Cc1cc(C)n(C2CC[NH+](Cc3cnn(C4CCCCC4)c3)CC2)n1 ZINC000019658069 212054535 /nfs/dbraw/zinc/05/45/35/212054535.db2.gz PBDZOEFLAOMQLJ-UHFFFAOYSA-N 1 0 341.503 4.039 40 0 EIABRO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cccc(OCCOC)c1 ZINC000019501002 212033537 /nfs/dbraw/zinc/03/35/37/212033537.db2.gz MJHDXHCGSGLKMX-GOSISDBHSA-N 1 0 331.481 4.283 40 0 EIABRO Fc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019346899 212019113 /nfs/dbraw/zinc/01/91/13/212019113.db2.gz GBIXXNFFRHLELU-CQSZACIVSA-N 1 0 327.378 4.221 40 0 EIABRO Cc1ccc(-c2cc([C@@H]3CC[N@@H+](C4CCSCC4)C3)[nH]n2)cc1 ZINC000019212105 212003795 /nfs/dbraw/zinc/00/37/95/212003795.db2.gz MDXDDDHFOVMTBG-MRXNPFEDSA-N 1 0 327.497 4.070 40 0 EIABRO Cc1ccc(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C(C)(C)C)c1 ZINC000012170256 211310256 /nfs/dbraw/zinc/31/02/56/211310256.db2.gz NGLDSLCGXAOBKG-FGTMMUONSA-N 1 0 333.516 4.010 40 0 EIABRO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@H](C)Cc1ccccn1 ZINC000012148181 211307189 /nfs/dbraw/zinc/30/71/89/211307189.db2.gz RZXKASRTKVVAHW-QGZVFWFLSA-N 1 0 348.494 4.256 40 0 EIABRO Cn1cncc1C[NH2+][C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000012087517 211288667 /nfs/dbraw/zinc/28/86/67/211288667.db2.gz CDJGIYHFOCMFSK-YRXWBPOGSA-N 1 0 329.875 4.136 40 0 EIABRO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccccc1F ZINC000008472233 210955321 /nfs/dbraw/zinc/95/53/21/210955321.db2.gz FVMNOXYHTCRXDE-UHFFFAOYSA-N 1 0 329.415 4.446 40 0 EIABRO Cc1cc(C)cc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000004857047 210303596 /nfs/dbraw/zinc/30/35/96/210303596.db2.gz OUDSDUSDOYPVJM-JLYLLQBASA-N 1 0 343.540 4.138 40 0 EIABRO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2C)cn1 ZINC000072214544 257689722 /nfs/dbraw/zinc/68/97/22/257689722.db2.gz DGGPQGNLJWAWQK-MRXNPFEDSA-N 1 0 333.476 4.246 40 0 EIABRO COC(OCC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000001593600 563395093 /nfs/dbraw/zinc/39/50/93/563395093.db2.gz UBLLPQUSFVAOFX-UHFFFAOYSA-N 1 0 325.452 4.037 40 0 EIABRO CC[NH+](CC)CCCCCNc1cc(OC(C)=O)cc2cccnc21 ZINC000001653210 563399554 /nfs/dbraw/zinc/39/95/54/563399554.db2.gz XSLOOOHLFGJVKW-UHFFFAOYSA-N 1 0 343.471 4.084 40 0 EIABRO CC[NH+](CC)CCCN[C@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000001703164 563404992 /nfs/dbraw/zinc/40/49/92/563404992.db2.gz OBALNJCALDIJID-CQSZACIVSA-N 1 0 337.722 4.419 40 0 EIABRO COc1ccc(C(=O)[C@@H](C)C(C)=[NH2+])c(OCc2ccccc2)c1OC ZINC000001699620 563404734 /nfs/dbraw/zinc/40/47/34/563404734.db2.gz GKQGFVVZPBBXNM-ZDUSSCGKSA-N 1 0 341.407 4.141 40 0 EIABRO CC[C@H](COC(=O)c1ccc(N)cc1)[NH2+]C(CC(C)C)CC(C)C ZINC000001709199 563405734 /nfs/dbraw/zinc/40/57/34/563405734.db2.gz MQFAYMWEAATWGL-GOSISDBHSA-N 1 0 334.504 4.255 40 0 EIABRO C[NH+](C)CCSCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000001726173 563407714 /nfs/dbraw/zinc/40/77/14/563407714.db2.gz BNDTYYBICAEFAM-UHFFFAOYSA-N 1 0 344.505 4.111 40 0 EIABRO C[NH+](C)CCC[C@@]1(O)c2ccccc2Sc2cc(Cl)ccc21 ZINC000005327870 563526860 /nfs/dbraw/zinc/52/68/60/563526860.db2.gz NVKBCYCHADJRMM-GOSISDBHSA-N 1 0 333.884 4.382 40 0 EIABRO CCC[C@H](C)[NH2+]CCOC(=O)C(c1ccccc1)c1ccccc1 ZINC000006381207 563566612 /nfs/dbraw/zinc/56/66/12/563566612.db2.gz LMRLNVZVYRGSIX-KRWDZBQOSA-N 1 0 325.452 4.140 40 0 EIABRO CCOCCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000008253171 563624310 /nfs/dbraw/zinc/62/43/10/563624310.db2.gz FASMFEVSVFUZQK-UHFFFAOYSA-N 1 0 343.467 4.099 40 0 EIABRO C[C@H](O)C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000008498040 563631666 /nfs/dbraw/zinc/63/16/66/563631666.db2.gz CDGOIMYJMMBEHS-LBPRGKRZSA-N 1 0 340.250 4.043 40 0 EIABRO Cc1ccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)cc1C ZINC000012668399 563667475 /nfs/dbraw/zinc/66/74/75/563667475.db2.gz TUXFIRCRIFBQOB-UHFFFAOYSA-N 1 0 348.450 4.128 40 0 EIABRO O=C(Nc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039759327 563901180 /nfs/dbraw/zinc/90/11/80/563901180.db2.gz GSQDHPKOPUMIGA-UHFFFAOYSA-N 1 0 346.833 4.330 40 0 EIABRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220967 563901713 /nfs/dbraw/zinc/90/17/13/563901713.db2.gz UOLZQYUFLNWUFH-KRWDZBQOSA-N 1 0 342.870 4.499 40 0 EIABRO CC[NH+](CC)CCCOc1nn(Cc2ccccc2)c2ccccc21 ZINC000048056677 563929911 /nfs/dbraw/zinc/92/99/11/563929911.db2.gz UZNJSMFIGONURK-UHFFFAOYSA-N 1 0 337.467 4.195 40 0 in-vitro EIABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)s1 ZINC000096047590 563978235 /nfs/dbraw/zinc/97/82/35/563978235.db2.gz UMZTVAXUZKMHBU-HKUYNNGSSA-N 1 0 346.471 4.041 40 0 EIABRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2cccs2)[C@H]1Cc1ccccc1 ZINC000096061657 563978958 /nfs/dbraw/zinc/97/89/58/563978958.db2.gz SAZOBIXORJJOHR-UXHICEINSA-N 1 0 328.525 4.274 40 0 EIABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072215139 563985142 /nfs/dbraw/zinc/98/51/42/563985142.db2.gz XZRSLGYVXSYSAS-GDBMZVCRSA-N 1 0 333.476 4.436 40 0 EIABRO F[C@]1(C2CC[NH2+]CC2)c2ccc(Cl)cc2CCc2cccnc21 ZINC000033968659 564001560 /nfs/dbraw/zinc/00/15/60/564001560.db2.gz UTRNCHWURQHTSN-LJQANCHMSA-N 1 0 330.834 4.046 40 0 in-vitro EIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3F)CC2)cc1 ZINC000009063135 564016640 /nfs/dbraw/zinc/01/66/40/564016640.db2.gz CAPDWZBNYATXLI-UHFFFAOYSA-N 1 0 344.405 4.124 40 0 EIABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)CCC2 ZINC000223193435 564039178 /nfs/dbraw/zinc/03/91/78/564039178.db2.gz CTNWYRWEOGOLLC-QGZVFWFLSA-N 1 0 348.490 4.262 40 0 EIABRO CC(C)Cc1ncc(-c2cncc([C@@H]3CCC[N@@H+]3C(C)C)n2)s1 ZINC000257326790 564055495 /nfs/dbraw/zinc/05/54/95/564055495.db2.gz WYOUNYXSVUFWAW-INIZCTEOSA-N 1 0 330.501 4.344 40 0 EIABRO c1csc(-c2ccc3nc([C@@H]4CCC[N@@H+](C5CCC5)C4)nn3c2)c1 ZINC000306132740 564062262 /nfs/dbraw/zinc/06/22/62/564062262.db2.gz LQSGLVFEBYNAMX-OAHLLOKOSA-N 1 0 338.480 4.190 40 0 EIABRO CC(C)(C)Nc1nc(NCc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000328957682 564070948 /nfs/dbraw/zinc/07/09/48/564070948.db2.gz AKWLFZSXJSZBKC-UHFFFAOYSA-N 1 0 330.863 4.252 40 0 EIABRO Cc1cc(N2Cc3ccccc3CC2(C)C)nc(NC2CCCC2)[nH+]1 ZINC000329062288 564072077 /nfs/dbraw/zinc/07/20/77/564072077.db2.gz WWGDNYKZMKPHIH-UHFFFAOYSA-N 1 0 336.483 4.481 40 0 EIABRO c1nc(Nc2cc([C@@H]3CCC[NH2+]C3)ccn2)sc1-c1ccccc1 ZINC000143122442 564173789 /nfs/dbraw/zinc/17/37/89/564173789.db2.gz VVGGDIDRIOAUDO-MRXNPFEDSA-N 1 0 336.464 4.416 40 0 EIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000009062874 1023277345 /nfs/dbraw/zinc/27/73/45/1023277345.db2.gz WJXXTUWCKXYKQF-UHFFFAOYSA-N 1 0 342.870 4.499 40 0 EIABRO C[C@@H]1OC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[C@@H](/C=C/[C@H]3CCC[C@@H](C)[N@@H+]3C)[C@H]21 ZINC000004430038 210192753 /nfs/dbraw/zinc/19/27/53/210192753.db2.gz FMPNFDSPHNUFOS-YIZHNRPYSA-N 1 0 345.527 4.419 40 0 EIABRO C[C@H](C[NH+]1CCCC1)OC(=O)[C@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000004416235 210190632 /nfs/dbraw/zinc/19/06/32/210190632.db2.gz IVQGMURVQGDFDP-YZGWKJHDSA-N 1 0 327.468 4.154 40 0 EIABRO CC[N@@H+]1CCC[C@@H](OC(=O)[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000004404244 210187713 /nfs/dbraw/zinc/18/77/13/210187713.db2.gz STKLCHRMHCBUCQ-UXHICEINSA-N 1 0 329.484 4.378 40 0 EIABRO CC(C)C(NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)C(C)C ZINC000038849201 213228182 /nfs/dbraw/zinc/22/81/82/213228182.db2.gz QVGZTCCLYJYONY-UHFFFAOYSA-N 1 0 330.516 4.329 40 0 EIABRO Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038849547 213227646 /nfs/dbraw/zinc/22/76/46/213227646.db2.gz PTCDCJVWLFQDQH-QGZVFWFLSA-N 1 0 342.870 4.499 40 0 EIABRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000038833223 213227259 /nfs/dbraw/zinc/22/72/59/213227259.db2.gz WXSHICATMWZEPL-QGZVFWFLSA-N 1 0 342.870 4.499 40 0 EIABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3cccc(F)c3)cc2)CC1 ZINC000038772305 213225129 /nfs/dbraw/zinc/22/51/29/213225129.db2.gz QBMYRRUZPXOVBU-UHFFFAOYSA-N 1 0 326.415 4.310 40 0 EIABRO COc1cccc(-c2cncc([C@H]3CCC[N@@H+](C4CCCC4)C3)n2)c1 ZINC000072359261 216165883 /nfs/dbraw/zinc/16/58/83/216165883.db2.gz QRBBETQYSIMGGJ-KRWDZBQOSA-N 1 0 337.467 4.274 40 0 EIABRO c1ccc(Cc2cccc(C3CC[NH+](Cc4ccncc4)CC3)n2)cc1 ZINC000072348810 216160502 /nfs/dbraw/zinc/16/05/02/216160502.db2.gz TZSHNJFVJCYIBI-UHFFFAOYSA-N 1 0 343.474 4.447 40 0 EIABRO O=c1oc2ccc(Cl)cc2n1C1CC[NH+](Cc2cccs2)CC1 ZINC000072347902 216161012 /nfs/dbraw/zinc/16/10/12/216161012.db2.gz FFHZDSYIQKRNQF-UHFFFAOYSA-N 1 0 348.855 4.147 40 0 EIABRO c1ccc(Cc2cccc([C@H]3CCC[N@H+]3Cc3ccncc3)n2)cc1 ZINC000072357662 216164348 /nfs/dbraw/zinc/16/43/48/216164348.db2.gz CVEBUJDHOBIECQ-JOCHJYFZSA-N 1 0 329.447 4.405 40 0 EIABRO CC(C)[N@@H+]1CCCCC[C@H]1Cc1c2ccccc2sc1C(N)=O ZINC000072370760 216178197 /nfs/dbraw/zinc/17/81/97/216178197.db2.gz LCTQVRMPRQXPBI-AWEZNQCLSA-N 1 0 330.497 4.196 40 0 EIABRO Fc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cc1F ZINC000072369831 216178119 /nfs/dbraw/zinc/17/81/19/216178119.db2.gz WFXGJIZWTOSDIT-OAHLLOKOSA-N 1 0 341.361 4.004 40 0 EIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(Cl)cc1 ZINC000022913891 212332483 /nfs/dbraw/zinc/33/24/83/212332483.db2.gz WNZBNPOVSDWYLO-HXUWFJFHSA-N 1 0 343.902 4.222 40 0 EIABRO COc1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000022511710 212303801 /nfs/dbraw/zinc/30/38/01/212303801.db2.gz PJBUDIZPGCFMIX-MRXNPFEDSA-N 1 0 338.451 4.179 40 0 EIABRO CC(C)(C)[C@@H]1C[C@]2(C)NC(=O)CCCC[C@@H]2[N@@H+]1Cc1ccccc1 ZINC000218904762 241351105 /nfs/dbraw/zinc/35/11/05/241351105.db2.gz PLBNPVMWLDHABU-WFXMLNOXSA-N 1 0 328.500 4.125 40 0 EIABRO CCC[n+]1cc(Br)cc(-c2nc3cc(C)ccc3o2)c1 ZINC000226774760 242114842 /nfs/dbraw/zinc/11/48/42/242114842.db2.gz CASMPVCXWIDOMR-UHFFFAOYSA-N 1 0 332.221 4.263 40 0 EIABRO Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCC[NH2+]3)n2)c1 ZINC000257205981 244132850 /nfs/dbraw/zinc/13/28/50/244132850.db2.gz BBJHOFFARUNJHZ-KRWDZBQOSA-N 1 0 349.413 4.236 40 0 EIABRO Cc1ccccc1CNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020107466 212101504 /nfs/dbraw/zinc/10/15/04/212101504.db2.gz BFVDTZDHWZFNBM-KRWDZBQOSA-N 1 0 336.479 4.157 40 0 EIABRO Cc1ccccc1CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020107464 212101539 /nfs/dbraw/zinc/10/15/39/212101539.db2.gz BFVDTZDHWZFNBM-QGZVFWFLSA-N 1 0 336.479 4.157 40 0 EIABRO Cc1sc2c([C@@H]3CCC[NH2+]C3)nc(Nc3cccc(F)c3)n2c1C ZINC000019561743 212043012 /nfs/dbraw/zinc/04/30/12/212043012.db2.gz BBQWXQGGRKDBTF-CYBMUJFWSA-N 1 0 344.459 4.362 40 0 EIABRO CCOc1ccccc1C[N@@H+]1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000019520178 212036390 /nfs/dbraw/zinc/03/63/90/212036390.db2.gz BUISKCJYGOQDMZ-KRWDZBQOSA-N 1 0 335.451 4.341 40 0 EIABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccs4)no3)C2)cc1F ZINC000019344672 212018725 /nfs/dbraw/zinc/01/87/25/212018725.db2.gz UWQYDPYZLVOKHK-LBPRGKRZSA-N 1 0 347.390 4.066 40 0 EIABRO COc1ccc(OC)c(C[N@@H+]2CCCCC[C@@H]2c2cc(C)no2)c1 ZINC000019120232 212000629 /nfs/dbraw/zinc/00/06/29/212000629.db2.gz PWUVLLMKVCZKJN-QGZVFWFLSA-N 1 0 330.428 4.118 40 0 EIABRO CC(C)(C)c1n[nH]cc1C[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC000019083472 212000066 /nfs/dbraw/zinc/00/00/66/212000066.db2.gz SXRXUVGATXDZDM-UHFFFAOYSA-N 1 0 348.494 4.347 40 0 EIABRO Cc1c2ccccc2oc1C[N@@H+]1CCCC[C@H]1CCN1CCCC1=O ZINC000012364400 211355274 /nfs/dbraw/zinc/35/52/74/211355274.db2.gz ACHBPVJKZQJRLG-KRWDZBQOSA-N 1 0 340.467 4.108 40 0 EIABRO COc1ccccc1C1([NH2+]Cc2cnc(C(C)C)nc2)CCCC1 ZINC000012328773 211348718 /nfs/dbraw/zinc/34/87/18/211348718.db2.gz CFZRRMOGVVIHIQ-UHFFFAOYSA-N 1 0 325.456 4.168 40 0 EIABRO COc1nc2cc(C)ccc2cc1C[N@H+](C)[C@@H](C)Cc1ccccn1 ZINC000012148174 211307704 /nfs/dbraw/zinc/30/77/04/211307704.db2.gz WPQULQIPSZNRHL-INIZCTEOSA-N 1 0 335.451 4.010 40 0 EIABRO CCOc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1OCC ZINC000008324847 210934319 /nfs/dbraw/zinc/93/43/19/210934319.db2.gz RMDPWDBTBYVHOR-UHFFFAOYSA-N 1 0 329.484 4.398 40 0 EIABRO C[C@@H]1C[C@H](OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)CC(C)(C)C1 ZINC000095532675 218433571 /nfs/dbraw/zinc/43/35/71/218433571.db2.gz ZCGOSUPULPBKSS-ZACQAIPSSA-N 1 0 327.553 4.383 40 0 EIABRO CCC[NH2+][C@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 ZINC000005671779 210512415 /nfs/dbraw/zinc/51/24/15/210512415.db2.gz QJQNWJDSSHGFLX-GOSISDBHSA-N 1 0 335.403 4.107 40 0 EIABRO Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)C ZINC000004856967 210304030 /nfs/dbraw/zinc/30/40/30/210304030.db2.gz HVOIUCZOOPEFEE-AYHJJNSGSA-N 1 0 345.556 4.323 40 0 EIABRO CC[C@H](COC(=O)C(c1ccccc1)c1ccccc1)[NH+](CC)CC ZINC000001672204 563401676 /nfs/dbraw/zinc/40/16/76/563401676.db2.gz YMGXPAUZNSVSLK-HXUWFJFHSA-N 1 0 339.479 4.482 40 0 EIABRO CC[NH+](CC)CCOC(=O)c1cc(Cl)cc(-c2ccccc2)c1O ZINC000001683567 563403155 /nfs/dbraw/zinc/40/31/55/563403155.db2.gz XJJVCIDOVNYAHY-UHFFFAOYSA-N 1 0 347.842 4.211 40 0 EIABRO CC1(C)CCC[N@@H+]1CCOC(=O)[C@@H]([C@H]1C=CCC1)[C@H]1C=CCCC1 ZINC000001683417 563403168 /nfs/dbraw/zinc/40/31/68/563403168.db2.gz VBVWXWCTRUOHLX-GBESFXJTSA-N 1 0 331.500 4.343 40 0 EIABRO OC1(c2ccccc2)CC[NH+](C/C=C/c2ccccc2Cl)CC1 ZINC000001692969 563404214 /nfs/dbraw/zinc/40/42/14/563404214.db2.gz BJMVUTQTICUHQJ-SOFGYWHQSA-N 1 0 327.855 4.337 40 0 EIABRO CCCC[NH2+][C@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 ZINC000005615021 563543202 /nfs/dbraw/zinc/54/32/02/563543202.db2.gz VAKGUDWFEDDYTI-LJQANCHMSA-N 1 0 349.430 4.497 40 0 EIABRO CC[C@@H]1CCC[N@H+](C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 ZINC000005719046 563547053 /nfs/dbraw/zinc/54/70/53/563547053.db2.gz DAEXSSOBURHTQY-CYJPLVAVSA-N 1 0 349.559 4.092 40 0 EIABRO COc1cc2cccnc2c(N[C@@H](C)C[N@H+](CC(C)C)C(C)C)c1 ZINC000005834728 563551750 /nfs/dbraw/zinc/55/17/50/563551750.db2.gz BWSPHAJBCNZUPV-INIZCTEOSA-N 1 0 329.488 4.410 40 0 EIABRO OCCOc1ccccc1[C@H](Cc1ccccc1)[NH2+]C1CCCCC1 ZINC000006580604 563573614 /nfs/dbraw/zinc/57/36/14/563573614.db2.gz CRJVEGGYQAPDIC-NRFANRHFSA-N 1 0 339.479 4.264 40 0 EIABRO CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(C)cc1 ZINC000007538037 563605253 /nfs/dbraw/zinc/60/52/53/563605253.db2.gz CJDTUBVULVYZQK-UHFFFAOYSA-N 1 0 334.257 4.446 40 0 EIABRO Cc1ccc(C)c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000007849988 563616544 /nfs/dbraw/zinc/61/65/44/563616544.db2.gz RRIUZCQPJCESLM-UHFFFAOYSA-N 1 0 336.479 4.219 40 0 EIABRO C[NH+](C)CCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000008373875 563627904 /nfs/dbraw/zinc/62/79/04/563627904.db2.gz VFDPAMVGDFTIMX-UHFFFAOYSA-N 1 0 327.255 4.295 40 0 EIABRO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2C(C)(C)CCCC2(C)C)cc1 ZINC000016739462 563821831 /nfs/dbraw/zinc/82/18/31/563821831.db2.gz SJOWHVXZXVMLII-QGZVFWFLSA-N 1 0 347.499 4.062 40 0 EIABRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1cccc(Cl)c1 ZINC000024367205 563871067 /nfs/dbraw/zinc/87/10/67/563871067.db2.gz HIBWMKMFEJUOQS-UHFFFAOYSA-N 1 0 343.858 4.258 40 0 EIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NC2CCCCCCC2)CC1 ZINC000039748216 563900713 /nfs/dbraw/zinc/90/07/13/563900713.db2.gz JVTFKDVZHBFCFR-UHFFFAOYSA-N 1 0 342.527 4.436 40 0 EIABRO Cc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220940 563901726 /nfs/dbraw/zinc/90/17/26/563901726.db2.gz DBORCEXPXAUADP-KRWDZBQOSA-N 1 0 342.870 4.499 40 0 EIABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)CC1 ZINC000030938439 563911814 /nfs/dbraw/zinc/91/18/14/563911814.db2.gz NOAGZZNPXDQWOU-UHFFFAOYSA-N 1 0 344.405 4.449 40 0 EIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc(O)cc2)s1 ZINC000043277867 563925620 /nfs/dbraw/zinc/92/56/20/563925620.db2.gz SXKILRZKNQXJBY-UHFFFAOYSA-N 1 0 341.480 4.051 40 0 EIABRO CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC000044910211 563928263 /nfs/dbraw/zinc/92/82/63/563928263.db2.gz UKBCOMFATOWYLQ-QGZVFWFLSA-N 1 0 342.870 4.215 40 0 EIABRO Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000044912403 563928275 /nfs/dbraw/zinc/92/82/75/563928275.db2.gz SWHAXABWYWISPK-UHFFFAOYSA-N 1 0 336.479 4.301 40 0 EIABRO Fc1ccc(CN2C[C@@H]3C[C@H](c4cccs4)[N@@H+]4CCC[C@@]34C2)cc1 ZINC000072342202 563966428 /nfs/dbraw/zinc/96/64/28/563966428.db2.gz PACOWZUQYBZXCZ-ILZDJORESA-N 1 0 342.483 4.299 40 0 EIABRO CC[C@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccc(C)cc2)CC1 ZINC000585100668 563971409 /nfs/dbraw/zinc/97/14/09/563971409.db2.gz SEHFUANSXMCKPL-RXVVDRJESA-N 1 0 328.500 4.141 40 0 EIABRO Cc1ccc(C[N@@H+]2CCC3(C2)CCN(Cc2nccs2)CC3)s1 ZINC000096046617 563978096 /nfs/dbraw/zinc/97/80/96/563978096.db2.gz VPPGVPSXDKTVOU-UHFFFAOYSA-N 1 0 347.553 4.001 40 0 EIABRO Cc1ccccc1C[N@@H+]1CCC[C@]12CCN(C(=O)Nc1ccccc1)C2 ZINC000096071097 563979001 /nfs/dbraw/zinc/97/90/01/563979001.db2.gz NJCSHUZDXFILMT-JOCHJYFZSA-N 1 0 349.478 4.267 40 0 EIABRO CCCCC[N@@H+]1CCC[C@@]12CCCN(C(=O)Nc1ccccc1)C2 ZINC000096071380 563979038 /nfs/dbraw/zinc/97/90/38/563979038.db2.gz DAZKHUZVMMRBNA-HXUWFJFHSA-N 1 0 329.488 4.339 40 0 EIABRO Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(C)n2)C3)c1 ZINC000096216235 563980364 /nfs/dbraw/zinc/98/03/64/563980364.db2.gz YFFCSAQDPLDPHC-HSZRJFAPSA-N 1 0 349.522 4.187 40 0 EIABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](Oc4ccccc4)CO3)CC2)s1 ZINC000096221813 563980493 /nfs/dbraw/zinc/98/04/93/563980493.db2.gz LTXDYEJQIJMKCI-GOSISDBHSA-N 1 0 343.492 4.259 40 0 EIABRO Cc1cccc(C[N@@H+](C)[C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)c1 ZINC000585289177 563981956 /nfs/dbraw/zinc/98/19/56/563981956.db2.gz NITGARHATHRCLK-KSEOMHKRSA-N 1 0 339.479 4.096 40 0 EIABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000585289698 563982009 /nfs/dbraw/zinc/98/20/09/563982009.db2.gz VNJLSAZGHANMPU-IPMKNSEASA-N 1 0 337.891 4.171 40 0 EIABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]Cc3ccccc3Cl)[C@H]2O)c1 ZINC000585288682 563982061 /nfs/dbraw/zinc/98/20/61/563982061.db2.gz HLMHMWFKQWCBCQ-XUVXKRRUSA-N 1 0 345.870 4.099 40 0 EIABRO Cc1ccccc1C[N@@H+](C)[C@H]1CCC[C@@H](Oc2ccccc2C)[C@@H]1O ZINC000585288586 563982072 /nfs/dbraw/zinc/98/20/72/563982072.db2.gz FGQQCVGZFHDWFS-KSEOMHKRSA-N 1 0 339.479 4.096 40 0 EIABRO Cc1cc(C)c2cc(C[NH2+]Cc3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000013998444 563982517 /nfs/dbraw/zinc/98/25/17/563982517.db2.gz AHSGBVRSCLMAKI-UHFFFAOYSA-N 1 0 326.827 4.088 40 0 EIABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072214693 563984904 /nfs/dbraw/zinc/98/49/04/563984904.db2.gz FTLCNUDHCGATFD-MRXNPFEDSA-N 1 0 333.476 4.390 40 0 EIABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072215138 563985160 /nfs/dbraw/zinc/98/51/60/563985160.db2.gz XZRSLGYVXSYSAS-HOCLYGCPSA-N 1 0 333.476 4.436 40 0 EIABRO C[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215396 563985233 /nfs/dbraw/zinc/98/52/33/563985233.db2.gz ACECEPREPYDIJR-INIZCTEOSA-N 1 0 331.460 4.142 40 0 EIABRO C[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215428 563985277 /nfs/dbraw/zinc/98/52/77/563985277.db2.gz MULAJGLWUTVKFQ-MRXNPFEDSA-N 1 0 331.460 4.142 40 0 EIABRO CC[C@@H]1c2ccsc2CCN1Cc1cc2c(cc1OC)OCCO2 ZINC000014000105 564020855 /nfs/dbraw/zinc/02/08/55/564020855.db2.gz TUFSCPJVFPQAKL-OAHLLOKOSA-N 1 0 345.464 4.037 40 0 EIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCC3=CCCCC3)cc2)C1 ZINC000224332665 564042433 /nfs/dbraw/zinc/04/24/33/564042433.db2.gz NAWSAKMQXFQSQR-QGZVFWFLSA-N 1 0 326.484 4.149 40 0 EIABRO CC1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCCC1 ZINC000225597046 564048179 /nfs/dbraw/zinc/04/81/79/564048179.db2.gz DDZMUFCMTLBARD-UHFFFAOYSA-N 1 0 344.499 4.460 40 0 EIABRO CC(C)Cc1ncc(-c2cnc([C@H]3CCC[N@@H+](C(C)C)C3)cn2)s1 ZINC000257283709 564054718 /nfs/dbraw/zinc/05/47/18/564054718.db2.gz OZMLMZZBVSGZAD-HNNXBMFYSA-N 1 0 344.528 4.386 40 0 EIABRO Cc1csc(Nc2cc(C)nc([C@H]3CCC[N@H+](CC4CC4)C3)c2)n1 ZINC000257289445 564054817 /nfs/dbraw/zinc/05/48/17/564054817.db2.gz PYQFRBGQRXZTLM-INIZCTEOSA-N 1 0 342.512 4.488 40 0 EIABRO Cc1cc(Nc2ncccn2)cc(C2CC[NH+](CC(C)(C)C)CC2)n1 ZINC000257296415 564054955 /nfs/dbraw/zinc/05/49/55/564054955.db2.gz RCTAPQJCZKSKBS-UHFFFAOYSA-N 1 0 339.487 4.149 40 0 EIABRO CCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(F)cc3)cc(C)[nH+]2)C1 ZINC000257322164 564055441 /nfs/dbraw/zinc/05/54/41/564055441.db2.gz WEVBRBBICASEQX-OAHLLOKOSA-N 1 0 341.430 4.389 40 0 EIABRO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000027533975 564063380 /nfs/dbraw/zinc/06/33/80/564063380.db2.gz SDEPULSXAHNYTN-QQABJKMWSA-N 1 0 337.548 4.137 40 0 EIABRO c1coc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000248085365 564124538 /nfs/dbraw/zinc/12/45/38/564124538.db2.gz FCRZKCYWZIJWKU-DHIUTWEWSA-N 1 0 346.474 4.428 40 0 EIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000009062996 564127645 /nfs/dbraw/zinc/12/76/45/564127645.db2.gz YFNYEXPCGBIPQX-UHFFFAOYSA-N 1 0 342.870 4.499 40 0 EIABRO C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCCCN2Cc1ccccn1 ZINC000019713447 564128102 /nfs/dbraw/zinc/12/81/02/564128102.db2.gz HIACQHDMUKNSLY-VJBWXMMDSA-N 1 0 349.522 4.190 40 0 EIABRO CCCCOc1ccc(Cl)cc1-c1noc(C2CC[NH2+]CC2)n1 ZINC000256054946 564134786 /nfs/dbraw/zinc/13/47/86/564134786.db2.gz YLOMUAUVYXOBTJ-UHFFFAOYSA-N 1 0 335.835 4.036 40 0 EIABRO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)C3CCCCC3)nc21 ZINC000004359225 210180209 /nfs/dbraw/zinc/18/02/09/210180209.db2.gz KFULVUGZBYPHBG-UHFFFAOYSA-N 1 0 345.512 4.080 40 0 EIABRO O=C(C[NH2+]CCC1=CCCCC1)Nc1ccccc1N1CCCCC1 ZINC000004092889 210118648 /nfs/dbraw/zinc/11/86/48/210118648.db2.gz IYSBINBSQKCRER-UHFFFAOYSA-N 1 0 341.499 4.096 40 0 EIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000039757411 213241999 /nfs/dbraw/zinc/24/19/99/213241999.db2.gz AQASOCYZTNZCMA-UHFFFAOYSA-N 1 0 344.405 4.124 40 0 EIABRO C[C@@H](CC[NH+]1CCOCC1)c1ccc(COc2ccccc2)cc1 ZINC000038928087 213230108 /nfs/dbraw/zinc/23/01/08/213230108.db2.gz LFTCCKXNJAFWEE-SFHVURJKSA-N 1 0 325.452 4.091 40 0 EIABRO O=C(Nc1ccccc1F)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038849229 213228941 /nfs/dbraw/zinc/22/89/41/213228941.db2.gz GJEMNCYKAFLLSI-HNNXBMFYSA-N 1 0 346.833 4.330 40 0 EIABRO O=C(Nc1ccccc1Cl)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038833771 213228391 /nfs/dbraw/zinc/22/83/91/213228391.db2.gz SVWALLMTQFUFIT-HNNXBMFYSA-N 1 0 346.833 4.330 40 0 EIABRO CC[C@H]1C[N@H+](CCCc2ccc(COc3ccccc3)cc2)CCO1 ZINC000038792281 213226760 /nfs/dbraw/zinc/22/67/60/213226760.db2.gz RRLSRCWBXFIFHP-NRFANRHFSA-N 1 0 339.479 4.309 40 0 EIABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccsc1 ZINC000036740316 213114363 /nfs/dbraw/zinc/11/43/63/213114363.db2.gz XJIWOCXNRSVTTN-UHFFFAOYSA-N 1 0 341.480 4.046 40 0 EIABRO Cc1ccc(C)c(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000035289757 213018605 /nfs/dbraw/zinc/01/86/05/213018605.db2.gz JMEJAVCGRBYYLP-ZNXRZULTSA-N 1 0 343.540 4.138 40 0 EIABRO CC[NH+](CC)CCCN[C@@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000031938831 212763796 /nfs/dbraw/zinc/76/37/96/212763796.db2.gz OBALNJCALDIJID-AWEZNQCLSA-N 1 0 337.722 4.419 40 0 EIABRO Fc1cccc(Cc2cccc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)c1 ZINC000072358156 216166006 /nfs/dbraw/zinc/16/60/06/216166006.db2.gz DOEMVGYGELNQGG-NRFANRHFSA-N 1 0 340.442 4.127 40 0 EIABRO Fc1ccc(Cc2cccc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000072358155 216166053 /nfs/dbraw/zinc/16/60/53/216166053.db2.gz YXQJQMSSXHZNFZ-OAQYLSRUSA-N 1 0 340.442 4.127 40 0 EIABRO c1ccc(Cc2cccc([C@@H]3CCC[N@H+]3Cc3ccccn3)n2)cc1 ZINC000072357707 216163316 /nfs/dbraw/zinc/16/33/16/216163316.db2.gz WKPNGPLWAKDVLD-QFIPXVFZSA-N 1 0 329.447 4.405 40 0 EIABRO COc1ccc(Nc2cc[nH+]c3cc(OC)c(OC)cc23)cc1OC ZINC000026739863 212533288 /nfs/dbraw/zinc/53/32/88/212533288.db2.gz PPOIGSDSVMYNSD-UHFFFAOYSA-N 1 0 340.379 4.013 40 0 EIABRO Cc1cc2sc(-c3cc(Br)c[n+](C)c3)nc2c(C)c1 ZINC000226773356 242115901 /nfs/dbraw/zinc/11/59/01/242115901.db2.gz QYLNUWUFERGOSM-UHFFFAOYSA-N 1 0 334.262 4.167 40 0 EIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cccc(F)c3)cc2)C1 ZINC000020493113 212139375 /nfs/dbraw/zinc/13/93/75/212139375.db2.gz JZSIKLOTVNKZHS-OAHLLOKOSA-N 1 0 326.415 4.310 40 0 EIABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1 ZINC000019533242 212039846 /nfs/dbraw/zinc/03/98/46/212039846.db2.gz XTLYNUAKFGOPQI-KRWDZBQOSA-N 1 0 335.451 4.341 40 0 EIABRO c1cc2n(c1)-c1ccccc1NC21CC[NH+](Cc2ccccc2)CC1 ZINC000019371902 212023276 /nfs/dbraw/zinc/02/32/76/212023276.db2.gz RWUFHXKGHCZRKH-UHFFFAOYSA-N 1 0 329.447 4.394 40 0 EIABRO Fc1cc(F)cc(C[NH+]2CCC(c3cc4ncccc4cn3)CC2)c1 ZINC000019347404 212020163 /nfs/dbraw/zinc/02/01/63/212020163.db2.gz RTFJHDBDCZXMQA-UHFFFAOYSA-N 1 0 339.389 4.288 40 0 EIABRO Fc1ccc(CN2C[C@@H]3C[C@@H](c4cccs4)[N@@H+]4CCC[C@@]34C2)cc1 ZINC000019343094 212018467 /nfs/dbraw/zinc/01/84/67/212018467.db2.gz PACOWZUQYBZXCZ-XKGZKEIXSA-N 1 0 342.483 4.299 40 0 EIABRO Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000012481689 211391738 /nfs/dbraw/zinc/39/17/38/211391738.db2.gz LBGWGGOCFXVPPL-FRIKZZABSA-N 1 0 348.490 4.311 40 0 EIABRO CC(=O)Nc1ccc(C[N@@H+]2CCCCC[C@H]2c2cc(C)no2)cc1 ZINC000012120282 211298465 /nfs/dbraw/zinc/29/84/65/211298465.db2.gz XOSPKSYUNFGHQT-SFHVURJKSA-N 1 0 327.428 4.059 40 0 EIABRO O=c1oc2ccc(Cl)cc2n1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000012119104 211297932 /nfs/dbraw/zinc/29/79/32/211297932.db2.gz QOUMHGOUPLVFOZ-MRXNPFEDSA-N 1 0 342.826 4.085 40 0 EIABRO CC(C)(C)[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1Cl ZINC000095080053 218274826 /nfs/dbraw/zinc/27/48/26/218274826.db2.gz ORKQRUDPHISWJM-MRXNPFEDSA-N 1 0 333.859 4.341 40 0 EIABRO CC(C)(C)[NH2+]C[C@H](O)c1ccc(OCc2ccccc2)cc1Cl ZINC000095080056 218274897 /nfs/dbraw/zinc/27/48/97/218274897.db2.gz QLPAWSIKHUCMIC-SFHVURJKSA-N 1 0 333.859 4.341 40 0 EIABRO Cc1cc(-c2noc([C@H]3CCCC[NH2+]3)n2)cc(C)c1OCC(C)C ZINC000095095410 218280758 /nfs/dbraw/zinc/28/07/58/218280758.db2.gz YAVMPZVPQQRDLM-MRXNPFEDSA-N 1 0 329.444 4.203 40 0 EIABRO CCCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)/C=C/c1ccccc1)C2 ZINC000004888121 210313459 /nfs/dbraw/zinc/31/34/59/210313459.db2.gz LSGJJWILUVPJIQ-NWWDTLLWSA-N 1 0 326.484 4.002 40 0 EIABRO C[NH+](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118926851 221204857 /nfs/dbraw/zinc/20/48/57/221204857.db2.gz KIVXGCJMIWJWBX-CPDXTSBQSA-N 1 0 345.527 4.421 40 0 EIABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214441 257689449 /nfs/dbraw/zinc/68/94/49/257689449.db2.gz ZJHPYRKRGMJRBG-MRXNPFEDSA-N 1 0 333.476 4.246 40 0 EIABRO Cc1ccc([C@H](O)C[NH+]2CCC(Oc3ccccc3F)CC2)c(C)c1 ZINC000019132380 257912626 /nfs/dbraw/zinc/91/26/26/257912626.db2.gz AWBJJOKBLWNPEA-HXUWFJFHSA-N 1 0 343.442 4.019 40 0 EIABRO CC[NH+](CC)C[C@@H](C)[C@H](C)OC(=O)c1ccc(OCC(C)C)cc1 ZINC000002040878 563419111 /nfs/dbraw/zinc/41/91/11/563419111.db2.gz GRALFSQRIBJAHX-SJORKVTESA-N 1 0 335.488 4.245 40 0 in-man EIABRO CC[C@H](C)[NH2+][C@@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 ZINC000005476772 563534281 /nfs/dbraw/zinc/53/42/81/563534281.db2.gz SYOCBNWEFSCYBH-KXBFYZLASA-N 1 0 349.430 4.495 40 0 EIABRO CCOCCC[NH2+]Cc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000008253185 563624283 /nfs/dbraw/zinc/62/42/83/563624283.db2.gz BLEQLLLHVSRWRB-UHFFFAOYSA-N 1 0 343.467 4.181 40 0 EIABRO Cc1cccc(C[NH+]2CCC(C(=O)NC3CCCCCCC3)CC2)c1 ZINC000039761378 563900457 /nfs/dbraw/zinc/90/04/57/563900457.db2.gz ZEODZAANYKGEDW-UHFFFAOYSA-N 1 0 342.527 4.436 40 0 EIABRO CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000085471084 563930747 /nfs/dbraw/zinc/93/07/47/563930747.db2.gz CIFIUKWHRADVGO-BHIFYINESA-N 1 0 348.490 4.056 40 0 EIABRO FC1(F)CC[N@H+](Cc2ccco2)C[C@]12CCN(c1ccccc1)C2 ZINC000096051093 563978468 /nfs/dbraw/zinc/97/84/68/563978468.db2.gz RIGYEYZIUGNFLB-SFHVURJKSA-N 1 0 332.394 4.017 40 0 EIABRO FC1(F)CC[N@H+](Cc2ccco2)C[C@@]12CCN(c1ccccc1)C2 ZINC000096051094 563978506 /nfs/dbraw/zinc/97/85/06/563978506.db2.gz RIGYEYZIUGNFLB-GOSISDBHSA-N 1 0 332.394 4.017 40 0 EIABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000585289552 563982024 /nfs/dbraw/zinc/98/20/24/563982024.db2.gz RLBDHHRJHXETJK-IPMKNSEASA-N 1 0 337.891 4.171 40 0 EIABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214800 563984922 /nfs/dbraw/zinc/98/49/22/563984922.db2.gz QOFMXBISKRAHRL-INIZCTEOSA-N 1 0 333.476 4.390 40 0 EIABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1C ZINC000072215023 563985052 /nfs/dbraw/zinc/98/50/52/563985052.db2.gz YWXTXBJNELYTDR-INIZCTEOSA-N 1 0 333.476 4.390 40 0 EIABRO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCC[NH2+]2)cn1)C1CCCC1 ZINC000072215545 563985283 /nfs/dbraw/zinc/98/52/83/563985283.db2.gz FFOSLGZVQSGEDC-MRXNPFEDSA-N 1 0 331.460 4.190 40 0 EIABRO Cc1nc(N2CCc3ccccc3C2)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224942 563985863 /nfs/dbraw/zinc/98/58/63/563985863.db2.gz NZGOFMISNXKNNU-QFIPXVFZSA-N 1 0 329.447 4.001 40 0 EIABRO CC[C@]1(C)C[C@]2(CCC[N@H+](CCC(=O)c3ccccc3)C2)CCO1 ZINC000000343507 563996828 /nfs/dbraw/zinc/99/68/28/563996828.db2.gz HPAWIRFVASVWBY-RTWAWAEBSA-N 1 0 329.484 4.321 40 0 EIABRO O=C(Nc1ccccc1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000008004157 564015988 /nfs/dbraw/zinc/01/59/88/564015988.db2.gz WEISBDAYRKMFFB-UHFFFAOYSA-N 1 0 346.833 4.330 40 0 EIABRO Cn1c2ccccc2nc1[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000049171157 564032657 /nfs/dbraw/zinc/03/26/57/564032657.db2.gz GKFJRBWWKWQCKV-HNNXBMFYSA-N 1 0 325.843 4.216 40 0 biogenic,in-vitro EIABRO Cc1ccc(C[N@@H+]2C[C@@H](c3cn(C)c4ccccc34)[C@H](N(C)C)C2)cc1 ZINC000057773705 564035321 /nfs/dbraw/zinc/03/53/21/564035321.db2.gz VQOKAXCSLCFUGJ-JTHBVZDNSA-N 1 0 347.506 4.016 40 0 EIABRO CCc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000224282862 564042288 /nfs/dbraw/zinc/04/22/88/564042288.db2.gz KNMXBUVQSFHYTK-QGZVFWFLSA-N 1 0 336.479 4.336 40 0 EIABRO O=C(/C=C/c1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224643595 564043376 /nfs/dbraw/zinc/04/33/76/564043376.db2.gz VISFTDUSFYJHSO-OUKQBFOZSA-N 1 0 334.463 4.002 40 0 EIABRO CCOc1cccc(NC(=S)NCCC[N@@H+]2CCCC[C@H]2CC)c1 ZINC000260735438 564052461 /nfs/dbraw/zinc/05/24/61/564052461.db2.gz IIVLPYSAUFAIGJ-QGZVFWFLSA-N 1 0 349.544 4.026 40 0 EIABRO Cc1ncsc1C[NH+]1CCC(C)(c2ncc(Cl)s2)CC1 ZINC000257320798 564055381 /nfs/dbraw/zinc/05/53/81/564055381.db2.gz VYSIXWBNDSWTLO-UHFFFAOYSA-N 1 0 327.906 4.115 40 0 EIABRO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)c(C(C)(C)C)c1 ZINC000026781121 564057225 /nfs/dbraw/zinc/05/72/25/564057225.db2.gz OBRMJGDRGTWSPH-HKUYNNGSSA-N 1 0 341.495 4.383 40 0 EIABRO Cc1ccc(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c(C(C)(C)C)c1 ZINC000027531046 564085719 /nfs/dbraw/zinc/08/57/19/564085719.db2.gz JLKSJXCQCJQNRN-OKZBNKHCSA-N 1 0 333.516 4.295 40 0 EIABRO Fc1ccc([C@@H]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@]34CCCN24)cc1 ZINC000247519581 564124480 /nfs/dbraw/zinc/12/44/80/564124480.db2.gz KYELLYOWCJKDFN-LSTHTHJFSA-N 1 0 342.483 4.299 40 0 EIABRO Cc1ccc(C)c([C@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000019132042 564127982 /nfs/dbraw/zinc/12/79/82/564127982.db2.gz VOFQAAUHBRLSNS-DYESRHJHSA-N 1 0 349.478 4.093 40 0 EIABRO CCC[N@@H+]1CC[C@H](c2cc(COc3ccc(C(C)C)cc3)[nH]n2)C1 ZINC000019738932 564128112 /nfs/dbraw/zinc/12/81/12/564128112.db2.gz FUIRDVYOWRVHPW-KRWDZBQOSA-N 1 0 327.472 4.311 40 0 EIABRO CC[N@H+](Cc1ccccc1)C1CCN(Cc2ccccc2OC)CC1 ZINC000054992156 214263367 /nfs/dbraw/zinc/26/33/67/214263367.db2.gz MOJFAABJODCYDA-UHFFFAOYSA-N 1 0 338.495 4.182 40 0 EIABRO C[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4N5CCC[NH+]=C5CC[C@@]4(C)[C@H]3CC[C@]21C ZINC000104182860 219356409 /nfs/dbraw/zinc/35/64/09/219356409.db2.gz MCRLPGBGURQZIL-HBVNUNPYSA-N 1 0 342.527 4.372 40 0 EIABRO COc1cc2cccnc2c(NCCCCC[NH2+]CC(C)(C)C)c1 ZINC000001687525 209782015 /nfs/dbraw/zinc/78/20/15/209782015.db2.gz CEDWVJBOALCZAH-UHFFFAOYSA-N 1 0 329.488 4.461 40 0 EIABRO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000039199636 213232043 /nfs/dbraw/zinc/23/20/43/213232043.db2.gz GJTGVCFKLBBSNT-UHFFFAOYSA-N 1 0 335.369 4.189 40 0 EIABRO C[C@H](CC[NH+]1CCOCC1)c1ccc(COc2ccccc2)cc1 ZINC000038928088 213229980 /nfs/dbraw/zinc/22/99/80/213229980.db2.gz LFTCCKXNJAFWEE-GOSISDBHSA-N 1 0 325.452 4.091 40 0 EIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCc4ccccc4C3)cc2)C1 ZINC000038835923 213228400 /nfs/dbraw/zinc/22/84/00/213228400.db2.gz LJCPTEKQIURVMT-GOSISDBHSA-N 1 0 348.490 4.117 40 0 EIABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000001246606 209721081 /nfs/dbraw/zinc/72/10/81/209721081.db2.gz ALSKJBPWZSRVLV-BZSNNMDCSA-N 1 0 336.479 4.133 40 0 EIABRO CC1CC[NH+](Cc2ccc(C(=O)N(C)Cc3ccccc3)cc2)CC1 ZINC000038832920 213226889 /nfs/dbraw/zinc/22/68/89/213226889.db2.gz MBWXTIQRAUVKHZ-UHFFFAOYSA-N 1 0 336.479 4.191 40 0 EIABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000000969904 209697208 /nfs/dbraw/zinc/69/72/08/209697208.db2.gz VPRPANWSSJGICN-BZSNNMDCSA-N 1 0 336.479 4.418 40 0 EIABRO CC1(C)CC(N(Cc2ccsc2)Cc2ccncc2)CC(C)(C)[NH2+]1 ZINC000036740549 213115793 /nfs/dbraw/zinc/11/57/93/213115793.db2.gz HPHTWMLTHKHJOM-UHFFFAOYSA-N 1 0 343.540 4.455 40 0 EIABRO Fc1cccc(Cc2cccc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)c1 ZINC000072358157 216165551 /nfs/dbraw/zinc/16/55/51/216165551.db2.gz DOEMVGYGELNQGG-OAQYLSRUSA-N 1 0 340.442 4.127 40 0 EIABRO C[C@@H](C[N@@H+]1CCC[C@H](n2c3ccccc3oc2=O)C1)c1ccccc1 ZINC000072347843 216160299 /nfs/dbraw/zinc/16/02/99/216160299.db2.gz QZBANVDLACHLEC-WMZOPIPTSA-N 1 0 336.435 4.035 40 0 EIABRO c1ccc(Cc2cccc(C3CC[NH+](Cc4cccnc4)CC3)n2)cc1 ZINC000072348848 216161087 /nfs/dbraw/zinc/16/10/87/216161087.db2.gz NAAGFTREQCSCGT-UHFFFAOYSA-N 1 0 343.474 4.447 40 0 EIABRO c1ccc(Cc2cccc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072348937 216161145 /nfs/dbraw/zinc/16/11/45/216161145.db2.gz GPXNHZFXLJMJJB-FQEVSTJZSA-N 1 0 343.474 4.447 40 0 EIABRO Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCC[N@H+](CC(C)(C)C)C2)n1 ZINC000072353601 216162041 /nfs/dbraw/zinc/16/20/41/216162041.db2.gz CHSILKWQWOMIPF-MRXNPFEDSA-N 1 0 326.488 4.016 40 0 EIABRO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccoc2)n1 ZINC000072366760 216171967 /nfs/dbraw/zinc/17/19/67/216171967.db2.gz HYUREVAIHVIYQT-SFHVURJKSA-N 1 0 336.439 4.321 40 0 EIABRO c1cnc(Nc2cccc([C@@H]3CCC[N@H+]3CC3CCCCC3)n2)nc1 ZINC000072375241 216179555 /nfs/dbraw/zinc/17/95/55/216179555.db2.gz WJHBUEGOYRDFBY-SFHVURJKSA-N 1 0 337.471 4.332 40 0 EIABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccccc1 ZINC000022508508 212302379 /nfs/dbraw/zinc/30/23/79/212302379.db2.gz SOUQHXOGRIHXFA-SFHVURJKSA-N 1 0 336.479 4.410 40 0 EIABRO CC[NH+](CC)CCNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000022075014 212276436 /nfs/dbraw/zinc/27/64/36/212276436.db2.gz NBRMPZIJAMIPFQ-UHFFFAOYSA-N 1 0 346.902 4.350 40 0 EIABRO CCOc1c(Cl)cc(C[NH2+]CCc2ccc(F)cc2)cc1OC ZINC000022074640 212275521 /nfs/dbraw/zinc/27/55/21/212275521.db2.gz UCIVWFNIIRCFEA-UHFFFAOYSA-N 1 0 337.822 4.219 40 0 EIABRO CC(C)c1ccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225735461 242009530 /nfs/dbraw/zinc/00/95/30/242009530.db2.gz XXGCRVYCQDIJCF-MRXNPFEDSA-N 1 0 333.545 4.218 40 0 EIABRO CC[n+]1cc(Br)cc(-c2nc3c(cccc3C)s2)c1 ZINC000226776850 242115663 /nfs/dbraw/zinc/11/56/63/242115663.db2.gz IQCFXJBQLDPAGY-UHFFFAOYSA-N 1 0 334.262 4.342 40 0 EIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSC(C)(C)C)cc2)C1 ZINC000020451741 212131168 /nfs/dbraw/zinc/13/11/68/212131168.db2.gz JYMUZOFKFKIYOE-MRXNPFEDSA-N 1 0 348.556 4.180 40 0 EIABRO Fc1cc(F)cc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019346897 212019934 /nfs/dbraw/zinc/01/99/34/212019934.db2.gz HCDMZZFXIXGGFR-HNNXBMFYSA-N 1 0 327.378 4.221 40 0 EIABRO Cc1noc(-c2cn[nH]c2[C@H]2CCC[N@@H+]2Cc2ccccc2C)c1C ZINC000019237193 212007108 /nfs/dbraw/zinc/00/71/08/212007108.db2.gz KVMULXMXHOEGQQ-GOSISDBHSA-N 1 0 336.439 4.327 40 0 EIABRO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(Oc2ncccn2)cc1 ZINC000012241142 211328743 /nfs/dbraw/zinc/32/87/43/211328743.db2.gz QVRCEZNYQUYZCZ-CQSZACIVSA-N 1 0 337.448 4.450 40 0 EIABRO O=C1CCCN1c1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000012238713 211328633 /nfs/dbraw/zinc/32/86/33/211328633.db2.gz IKFZSAMLZMONOT-UHFFFAOYSA-N 1 0 340.854 4.246 40 0 EIABRO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCCOC)cc1 ZINC000012241215 211328006 /nfs/dbraw/zinc/32/80/06/211328006.db2.gz JNCLGGQLGJPOQY-SFHVURJKSA-N 1 0 331.481 4.283 40 0 EIABRO CCCc1ccc(C[NH+]2CCC(c3[nH]nc4ncccc43)CC2)s1 ZINC000012221202 211324193 /nfs/dbraw/zinc/32/41/93/211324193.db2.gz YMWFAGZKIKSXSE-UHFFFAOYSA-N 1 0 340.496 4.352 40 0 EIABRO C/C(=C\c1ccccc1)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1cccnc1 ZINC000012134981 211301153 /nfs/dbraw/zinc/30/11/53/211301153.db2.gz LXQHXQXPIOJYKK-FPKWUIKMSA-N 1 0 348.490 4.105 40 0 EIABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000011612281 211225051 /nfs/dbraw/zinc/22/50/51/211225051.db2.gz VPRPANWSSJGICN-OKZBNKHCSA-N 1 0 336.479 4.418 40 0 EIABRO CC[C@@H](C)Oc1c(C)cc(-c2noc([C@H]3CCCC[NH2+]3)n2)cc1C ZINC000095095407 218281017 /nfs/dbraw/zinc/28/10/17/218281017.db2.gz IRVKKEOAJDSQOD-GDBMZVCRSA-N 1 0 329.444 4.345 40 0 EIABRO COc1cccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c1OC ZINC000008534883 210963573 /nfs/dbraw/zinc/96/35/73/210963573.db2.gz RXJBOMWQCKWPTE-LFPRZYRFSA-N 1 0 329.484 4.398 40 0 EIABRO CN(CC[NH+]1CCCCC1)C(=O)[C@@H](c1ccccc1)C1CCCCC1 ZINC000005047931 210374472 /nfs/dbraw/zinc/37/44/72/210374472.db2.gz FONQVCVXPUIGHD-NRFANRHFSA-N 1 0 342.527 4.295 40 0 EIABRO Clc1cccc(C[NH2+]CCCSc2ncccn2)c1Cl ZINC000004984155 210350181 /nfs/dbraw/zinc/35/01/81/210350181.db2.gz SWONSDNIXVDGDN-UHFFFAOYSA-N 1 0 328.268 4.055 40 0 EIABRO O=C(C[NH2+]C1CCCCCC1)NC(c1ccccc1)c1ccccc1 ZINC000004894465 210314540 /nfs/dbraw/zinc/31/45/40/210314540.db2.gz JNIRWFAYLATOTR-UHFFFAOYSA-N 1 0 336.479 4.205 40 0 EIABRO CCCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1cccc(Cl)c1)C2 ZINC000004888126 210313804 /nfs/dbraw/zinc/31/38/04/210313804.db2.gz FFMOWDZIMRDEOT-AYHJJNSGSA-N 1 0 334.891 4.255 40 0 EIABRO CCc1ccccc1Nc1nc([C@H]2CCC[NH2+]C2)c2sccn12 ZINC000257267820 535964293 /nfs/dbraw/zinc/96/42/93/535964293.db2.gz MIXCZGUVQBEPSG-AWEZNQCLSA-N 1 0 326.469 4.169 40 0 EIABRO Clc1ccc(C[NH2+]CCCSc2ncccn2)c(Cl)c1 ZINC000016546056 563814357 /nfs/dbraw/zinc/81/43/57/563814357.db2.gz CSTHTWGJAPYKLP-UHFFFAOYSA-N 1 0 328.268 4.055 40 0 EIABRO CC(C)(Sc1ccc(Cl)cc1)C(=O)OCC[NH+]1CCCCC1 ZINC000001610201 563396455 /nfs/dbraw/zinc/39/64/55/563396455.db2.gz QUNASPIETMMPBD-UHFFFAOYSA-N 1 0 341.904 4.240 40 0 EIABRO COc1cc2cccnc2c(N[C@H](C)C[N@H+](CC(C)C)C(C)C)c1 ZINC000001644108 563398799 /nfs/dbraw/zinc/39/87/99/563398799.db2.gz BWSPHAJBCNZUPV-MRXNPFEDSA-N 1 0 329.488 4.410 40 0 EIABRO CC[NH+](CC)CCOC(=O)C1[C@@H]2c3ccccc3-c3ccccc3[C@H]12 ZINC000001699488 563404705 /nfs/dbraw/zinc/40/47/05/563404705.db2.gz IEEYLWQONYFJSB-WCRBZPEASA-N 1 0 335.447 4.049 40 0 EIABRO CCCCOc1ccc2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1 ZINC000001918183 563416529 /nfs/dbraw/zinc/41/65/29/563416529.db2.gz ZFRUHWOKLDZUHB-UHFFFAOYSA-N 1 0 342.483 4.247 40 0 EIABRO CCCCC[NH+](CCCCC)C[C@@H](O)CN1CCCc2ccccc21 ZINC000002042661 563419103 /nfs/dbraw/zinc/41/91/03/563419103.db2.gz YXDUJVBHEGKZSK-OAQYLSRUSA-N 1 0 346.559 4.483 40 0 EIABRO O=C(Nc1ccccc1)O[C@@H]1[C@@H]2CC[C@H]1CC[C@@H]2[NH+]1CCCCC1 ZINC000002272635 563428432 /nfs/dbraw/zinc/42/84/32/563428432.db2.gz WALSPJVXZJWMIB-NQYYFHDYSA-N 1 0 328.456 4.278 40 0 EIABRO COc1ccc(C[NH2+]CCc2c(C)[nH]c3ccccc32)c(OC)c1C ZINC000002384502 563430950 /nfs/dbraw/zinc/43/09/50/563430950.db2.gz DRKVFUJMHYIDDG-UHFFFAOYSA-N 1 0 338.451 4.134 40 0 EIABRO CC(C)CC[C@@H](C(N)=O)[C@@H]1[NH2+]C2(CCCCC2)Cc2ccccc21 ZINC000005832636 563551878 /nfs/dbraw/zinc/55/18/78/563551878.db2.gz IEYQENFPCJVEIG-RTBURBONSA-N 1 0 328.500 4.114 40 0 EIABRO CC1CC[NH+](CCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000007077864 563595016 /nfs/dbraw/zinc/59/50/16/563595016.db2.gz SAZUMPIRYUNGAA-UHFFFAOYSA-N 1 0 336.479 4.205 40 0 EIABRO CCCCC[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC000007261222 563598377 /nfs/dbraw/zinc/59/83/77/563598377.db2.gz PHJJQFIEVNSJRS-UHFFFAOYSA-N 1 0 330.266 4.136 40 0 EIABRO C[N@@H+]1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1 ZINC000008463982 563630848 /nfs/dbraw/zinc/63/08/48/563630848.db2.gz IDEMKXUAULKYJV-BGYRXZFFSA-N 1 0 335.447 4.385 40 0 biogenic,in-vitro EIABRO Cc1nn2c(nc(C)cc2Nc2cc[nH+]cc2)c1-c1ccc(C)cc1 ZINC000027585785 563897419 /nfs/dbraw/zinc/89/74/19/563897419.db2.gz RWHXJCLWZJXROR-UHFFFAOYSA-N 1 0 329.407 4.460 40 0 EIABRO CCOc1ccc([C@@H](O)C[N@H+](CC)Cc2ccccc2)cc1Cl ZINC000031911885 563913230 /nfs/dbraw/zinc/91/32/30/563913230.db2.gz AZNBGNBPRGNVJY-SFHVURJKSA-N 1 0 333.859 4.294 40 0 EIABRO CN(C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC000044910213 563928247 /nfs/dbraw/zinc/92/82/47/563928247.db2.gz UKBCOMFATOWYLQ-KRWDZBQOSA-N 1 0 342.870 4.215 40 0 EIABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(C)cc1 ZINC000044935869 563928543 /nfs/dbraw/zinc/92/85/43/563928543.db2.gz SKROQPJTEZETHC-NRFANRHFSA-N 1 0 336.479 4.472 40 0 EIABRO FC1(F)CC[N@H+](Cc2cccs2)C[C@]12CCN(c1ccccc1)C2 ZINC000096051095 563978512 /nfs/dbraw/zinc/97/85/12/563978512.db2.gz LMQARNNWBIZAER-SFHVURJKSA-N 1 0 348.462 4.486 40 0 EIABRO Fc1ccccc1CN1CCC[C@@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000096214671 563980253 /nfs/dbraw/zinc/98/02/53/563980253.db2.gz RABOQESUFAVGDN-JOCHJYFZSA-N 1 0 338.470 4.456 40 0 EIABRO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1C ZINC000072214932 563985061 /nfs/dbraw/zinc/98/50/61/563985061.db2.gz WRXVFDZRHWSHEO-INIZCTEOSA-N 1 0 333.476 4.388 40 0 EIABRO C[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215427 563985260 /nfs/dbraw/zinc/98/52/60/563985260.db2.gz MULAJGLWUTVKFQ-INIZCTEOSA-N 1 0 331.460 4.142 40 0 EIABRO COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1cccs1 ZINC000007523949 564015608 /nfs/dbraw/zinc/01/56/08/564015608.db2.gz JUKQNRNGGUSLNT-UHFFFAOYSA-N 1 0 329.421 4.219 40 0 EIABRO CC(C)OCCC[N@H+](Cc1ccncc1)Cc1cc(F)cc(F)c1 ZINC000013989558 564020781 /nfs/dbraw/zinc/02/07/81/564020781.db2.gz LTEUHUMWKOMRCJ-UHFFFAOYSA-N 1 0 334.410 4.177 40 0 EIABRO c1coc(-c2nnc([C@H]3CC[N@@H+](Cc4cc5ccccc5o4)C3)o2)c1 ZINC000049169535 564032589 /nfs/dbraw/zinc/03/25/89/564032589.db2.gz TUPQKNSCZPJWJE-AWEZNQCLSA-N 1 0 335.363 4.065 40 0 biogenic,in-vitro EIABRO COc1ccc(-c2c[n+](-c3ccc(OC)cc3)c3n2CCCCC3)cc1 ZINC000032611748 564036153 /nfs/dbraw/zinc/03/61/53/564036153.db2.gz MCDYPVTYWMQRIN-UHFFFAOYSA-N 1 0 349.454 4.175 40 0 EIABRO CC(C)[C@H](C)NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000225185133 564045324 /nfs/dbraw/zinc/04/53/24/564045324.db2.gz HZEWEJJPURCIII-KRWDZBQOSA-N 1 0 336.479 4.019 40 0 EIABRO CCOc1ccc(NC(=S)NCCC[N@@H+]2CCCC[C@@H]2CC)cc1 ZINC000225581006 564047976 /nfs/dbraw/zinc/04/79/76/564047976.db2.gz FMFKGDVBHGHQFY-KRWDZBQOSA-N 1 0 349.544 4.026 40 0 EIABRO CC(C)(C)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225592788 564048160 /nfs/dbraw/zinc/04/81/60/564048160.db2.gz QMSSQWBOJRUNQL-UHFFFAOYSA-N 1 0 332.488 4.316 40 0 EIABRO C[C@@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(C)CCCC2)cc1 ZINC000225596870 564048185 /nfs/dbraw/zinc/04/81/85/564048185.db2.gz LVZFBDVPIANBMI-QGZVFWFLSA-N 1 0 344.499 4.459 40 0 EIABRO CC(C)Cc1ncc(-c2cnc([C@@H]3CCC[N@@H+](C(C)C)C3)cn2)s1 ZINC000257283710 564054713 /nfs/dbraw/zinc/05/47/13/564054713.db2.gz OZMLMZZBVSGZAD-OAHLLOKOSA-N 1 0 344.528 4.386 40 0 EIABRO Cc1ncc(-c2cccc([C@@H]3CCC[N@@H+](C4CCCCC4)C3)n2)n1C ZINC000257311648 564055255 /nfs/dbraw/zinc/05/52/55/564055255.db2.gz UKLMQPNTXIPJBL-QGZVFWFLSA-N 1 0 338.499 4.303 40 0 EIABRO c1csc(-c2ccc3nc([C@H]4CCC[N@@H+](C5CCC5)C4)nn3c2)c1 ZINC000306132739 564062268 /nfs/dbraw/zinc/06/22/68/564062268.db2.gz LQSGLVFEBYNAMX-HNNXBMFYSA-N 1 0 338.480 4.190 40 0 EIABRO C[C@H](C[NH+]1CCC(Cc2ccccc2)CC1)[C@H](O)c1ccc(O)cc1 ZINC000006176175 564111878 /nfs/dbraw/zinc/11/18/78/564111878.db2.gz WVZSEUPGUDIELE-VGSWGCGISA-N 1 0 339.479 4.016 40 0 EIABRO c1cnc2[nH]c([C@@H]3CCCO3)c(C[N@@H+]3CC[C@H]4CCCC[C@H]4C3)c2c1 ZINC000253590099 564124672 /nfs/dbraw/zinc/12/46/72/564124672.db2.gz CGLBQXCRGUSAEM-GJYPPUQNSA-N 1 0 339.483 4.427 40 0 EIABRO C[C@H]1c2ccsc2CC[N@H+]1Cc1cccc(OC[C@H]2CCCO2)c1 ZINC000253588988 564124681 /nfs/dbraw/zinc/12/46/81/564124681.db2.gz DJCFMTRMFOSGIU-MAUKXSAKSA-N 1 0 343.492 4.425 40 0 EIABRO CC(C)(C)C[N@@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713094 564128127 /nfs/dbraw/zinc/12/81/27/564128127.db2.gz DLZBILPBOFVUCI-MOPGFXCFSA-N 1 0 328.500 4.078 40 0 EIABRO O=C(Nc1ccccc1)O[C@H]1[C@@H]2CC[C@H]1CC[C@H]2[NH+]1CCCCC1 ZINC000004020914 210101814 /nfs/dbraw/zinc/10/18/14/210101814.db2.gz WALSPJVXZJWMIB-JCHJZTRSSA-N 1 0 328.456 4.278 40 0 EIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(C)c3C)CC2)c1 ZINC000039763254 213241763 /nfs/dbraw/zinc/24/17/63/213241763.db2.gz RWBQDTVHNOOWAO-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO Cc1ccc(CNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000038848790 213228264 /nfs/dbraw/zinc/22/82/64/213228264.db2.gz KGFDLAXXKWFWEA-GOSISDBHSA-N 1 0 336.479 4.157 40 0 EIABRO O=C(Nc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038833863 213227994 /nfs/dbraw/zinc/22/79/94/213227994.db2.gz ZZIAWXGLGIMGIH-MRXNPFEDSA-N 1 0 328.843 4.191 40 0 EIABRO CC[C@@H](C)C[C@H](C)/C=C/CC[C@H](O)[C@@H](Cc1ccc(O)cc1)[NH2+]C ZINC000035458728 213030544 /nfs/dbraw/zinc/03/05/44/213030544.db2.gz RNCWKUCWPBNWOH-PPUCIXEFSA-N 1 0 333.516 4.292 40 0 biogenic,in-vitro EIABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(C)cc1)C2 ZINC000035310733 213019046 /nfs/dbraw/zinc/01/90/46/213019046.db2.gz TWNAMEXKIKSNAF-AYHJJNSGSA-N 1 0 331.529 4.077 40 0 EIABRO Cc1c(C)n(C[C@@H](O)C[NH2+][C@@H]2CCCC[C@@H]2C)c2c1cccc2Cl ZINC000035075094 213006202 /nfs/dbraw/zinc/00/62/02/213006202.db2.gz ZBMWXQGMDJSFMW-IYJAJMOOSA-N 1 0 348.918 4.441 40 0 EIABRO CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1[NH2+]C1CCC1 ZINC000072320769 216148757 /nfs/dbraw/zinc/14/87/57/216148757.db2.gz OVMLHECGHFNLHR-QRWLVFNGSA-N 1 0 340.467 4.353 40 0 biogenic,in-vitro EIABRO Fc1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000072358613 216165917 /nfs/dbraw/zinc/16/59/17/216165917.db2.gz AKDVVVQCSNAPNK-KRWDZBQOSA-N 1 0 348.425 4.057 40 0 EIABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000072355670 216163446 /nfs/dbraw/zinc/16/34/46/216163446.db2.gz QGPJMLWNUZSLMO-KRWDZBQOSA-N 1 0 338.480 4.228 40 0 EIABRO CCC(=O)NC1CC[NH+](CC2(c3ccc(C)cc3)CCCCC2)CC1 ZINC000072393564 216193068 /nfs/dbraw/zinc/19/30/68/216193068.db2.gz JTQICMVNZYFHNV-UHFFFAOYSA-N 1 0 342.527 4.188 40 0 EIABRO CCN(CC)CC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000022075458 212276693 /nfs/dbraw/zinc/27/66/93/212276693.db2.gz DLFJWZOBTFEAMY-UHFFFAOYSA-N 1 0 346.902 4.350 40 0 EIABRO COc1ccc(CC[NH2+]Cc2c(Cl)cccc2Cl)cc1OC ZINC000022074326 212275155 /nfs/dbraw/zinc/27/51/55/212275155.db2.gz LICFWJCZILUQPW-UHFFFAOYSA-N 1 0 340.250 4.343 40 0 EIABRO Cc1ccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000225736112 242010622 /nfs/dbraw/zinc/01/06/22/242010622.db2.gz IIPOSZYXQFTUOD-CYBMUJFWSA-N 1 0 339.936 4.057 40 0 EIABRO CC(C)Nc1n[nH]c2nc([C@H]3CCC[N@H+](CC(C)(C)C)C3)ccc12 ZINC000019742894 212060728 /nfs/dbraw/zinc/06/07/28/212060728.db2.gz FJRXVPOCGSMFJB-AWEZNQCLSA-N 1 0 329.492 4.004 40 0 EIABRO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cccc(Oc2ncccn2)c1 ZINC000019498370 212032360 /nfs/dbraw/zinc/03/23/60/212032360.db2.gz GHABZVRLKUVNQR-CQSZACIVSA-N 1 0 337.448 4.450 40 0 EIABRO c1ccc([C@H]2CC[N@@H+](Cc3c4cccnc4[nH]c3[C@@H]3CCCO3)C2)cc1 ZINC000019369990 212023031 /nfs/dbraw/zinc/02/30/31/212023031.db2.gz HYQUVPAWVMLCGI-PXNSSMCTSA-N 1 0 347.462 4.404 40 0 EIABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cccs4)o3)C2)cc1 ZINC000019344829 212019465 /nfs/dbraw/zinc/01/94/65/212019465.db2.gz UHTJFKHJBSRYOQ-AWEZNQCLSA-N 1 0 343.427 4.317 40 0 EIABRO Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCC[NH2+]3)n2)c1 ZINC000019294038 212012782 /nfs/dbraw/zinc/01/27/82/212012782.db2.gz XYYRSCADMYJTTE-QGZVFWFLSA-N 1 0 349.413 4.236 40 0 EIABRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)c(C)c1C ZINC000012366537 211357555 /nfs/dbraw/zinc/35/75/55/211357555.db2.gz XRPYWKOBLAOPJH-QFBILLFUSA-N 1 0 328.456 4.109 40 0 EIABRO C[C@H]1C[C@H](C)C[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000011612256 211225274 /nfs/dbraw/zinc/22/52/74/211225274.db2.gz MMIRJOKAHDIIIE-BBTUJRGHSA-N 1 0 339.479 4.071 40 0 EIABRO Cc1ccc2c(ccc(/C=C/c3ccc(O)c4ncccc34)[n+]2C)c1 ZINC000004900201 210316417 /nfs/dbraw/zinc/31/64/17/210316417.db2.gz OCZQEOWNYSRLIQ-UHFFFAOYSA-O 1 0 327.407 4.397 40 0 EIABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCCC1)c1ccc(F)cc1 ZINC000004887795 210312506 /nfs/dbraw/zinc/31/25/06/210312506.db2.gz MUQWRCUHTOKYPG-CTXDPNEZSA-N 1 0 344.474 4.274 40 0 EIABRO CCc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1 ZINC000004856992 210303516 /nfs/dbraw/zinc/30/35/16/210303516.db2.gz AOZBCJWZWSBHKN-ZNXRZULTSA-N 1 0 343.540 4.083 40 0 EIABRO CCOc1cc(C=O)ccc1OCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000217799446 535671008 /nfs/dbraw/zinc/67/10/08/535671008.db2.gz VRJPPWFPVGSCAS-IRXDYDNUSA-N 1 0 333.472 4.035 40 0 EIABRO CCc1ccc2oc(-c3cc(Br)c[n+](CC)c3)nc2c1 ZINC000226774801 535832863 /nfs/dbraw/zinc/83/28/63/535832863.db2.gz PWMDZWCUUNHQFS-UHFFFAOYSA-N 1 0 332.221 4.127 40 0 EIABRO COc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2OC)cc1 ZINC000007538598 563605260 /nfs/dbraw/zinc/60/52/60/563605260.db2.gz SPHQKBSOSXJRML-UHFFFAOYSA-N 1 0 326.223 4.300 40 0 EIABRO CC[NH+](CC)CCCCCNc1cc(OC)cc2c(C)ccnc12 ZINC000001568078 563392790 /nfs/dbraw/zinc/39/27/90/563392790.db2.gz PLUKEVYNSDVCIT-UHFFFAOYSA-N 1 0 329.488 4.476 40 0 EIABRO C[N@@H+]1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000001615577 563396846 /nfs/dbraw/zinc/39/68/46/563396846.db2.gz OWGJQNXIWMMDTH-LRSLUSHPSA-N 1 0 339.479 4.087 40 0 biogenic,in-vitro EIABRO CC[C@@H](C)[N@H+](CCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000001656125 563399515 /nfs/dbraw/zinc/39/95/15/563399515.db2.gz KQFSDLYYUUBGSE-MRXNPFEDSA-N 1 0 329.488 4.412 40 0 EIABRO CC[NH+](CC)C[C@@H](Cc1ccccc1)OC(=O)Nc1ccccc1 ZINC000001672761 563401713 /nfs/dbraw/zinc/40/17/13/563401713.db2.gz MVKHEBBJKCVXCG-LJQANCHMSA-N 1 0 326.440 4.188 40 0 EIABRO C[C@@H](COC(=O)[C@H](c1ccccc1)[C@H]1C=CCCC1)C[NH+]1CCCC1 ZINC000001683455 563403205 /nfs/dbraw/zinc/40/32/05/563403205.db2.gz LOROOXLFVZBGQW-HLAWJBBLSA-N 1 0 341.495 4.402 40 0 EIABRO CC[C@H](C)[NH2+][C@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 ZINC000005476773 563534274 /nfs/dbraw/zinc/53/42/74/563534274.db2.gz SYOCBNWEFSCYBH-HNAYVOBHSA-N 1 0 349.430 4.495 40 0 EIABRO CC[NH+](CC)CCN(C(=O)/C=C/c1ccccc1)C1CCCCC1 ZINC000006382168 563566575 /nfs/dbraw/zinc/56/65/75/563566575.db2.gz VMJVPWFGZXYKGR-FOCLMDBBSA-N 1 0 328.500 4.203 40 0 EIABRO Clc1ccc(COc2ccc(C[NH2+]C[C@H]3CCCO3)cc2)cc1 ZINC000016401553 563810559 /nfs/dbraw/zinc/81/05/59/563810559.db2.gz HSQQLSHUKQWREC-LJQANCHMSA-N 1 0 331.843 4.188 40 0 EIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000039758051 563901081 /nfs/dbraw/zinc/90/10/81/563901081.db2.gz NBQWDCMXPIUHNJ-UHFFFAOYSA-N 1 0 342.870 4.499 40 0 EIABRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220962 563901705 /nfs/dbraw/zinc/90/17/05/563901705.db2.gz UOLZQYUFLNWUFH-QGZVFWFLSA-N 1 0 342.870 4.499 40 0 EIABRO c1ccc(C[NH2+][C@@H](Cc2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000031923729 563913179 /nfs/dbraw/zinc/91/31/79/563913179.db2.gz ACMFQJCYOBJMBZ-FQEVSTJZSA-N 1 0 331.415 4.489 40 0 EIABRO CCOc1ccc([C@H](O)C[N@H+](CC)Cc2ccccc2)cc1Cl ZINC000031911889 563913256 /nfs/dbraw/zinc/91/32/56/563913256.db2.gz AZNBGNBPRGNVJY-GOSISDBHSA-N 1 0 333.859 4.294 40 0 EIABRO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000245318991 563950315 /nfs/dbraw/zinc/95/03/15/563950315.db2.gz YSBWPYOHMLOJIM-YQVWRLOYSA-N 1 0 327.468 4.291 40 0 EIABRO Fc1cccc([C@@H]2CN(Cc3ccccc3)[C@@H]3CCCCC[NH2+][C@@H]23)c1 ZINC000095951724 563977853 /nfs/dbraw/zinc/97/78/53/563977853.db2.gz QYXPFZBNKAUIMI-BDTNDASRSA-N 1 0 338.470 4.326 40 0 EIABRO Cc1cc(Nc2ncc(-c3ccccc3)s2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000585262865 563980890 /nfs/dbraw/zinc/98/08/90/563980890.db2.gz BGNHTUCHSFWGJO-AWEZNQCLSA-N 1 0 337.452 4.077 40 0 EIABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214503 563984732 /nfs/dbraw/zinc/98/47/32/563984732.db2.gz MWIZVTIQYJNGKD-MRXNPFEDSA-N 1 0 333.476 4.390 40 0 EIABRO CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000072214618 563984871 /nfs/dbraw/zinc/98/48/71/563984871.db2.gz HNIICQCWQHLVEM-MRXNPFEDSA-N 1 0 333.476 4.388 40 0 EIABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072214991 563985055 /nfs/dbraw/zinc/98/50/55/563985055.db2.gz AEMGWQQDLITIAF-MRXNPFEDSA-N 1 0 333.476 4.438 40 0 EIABRO C[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215488 563985311 /nfs/dbraw/zinc/98/53/11/563985311.db2.gz XMQJTXCRSZMVET-MRXNPFEDSA-N 1 0 331.460 4.142 40 0 EIABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1)c1ccccc1 ZINC000001377821 564003541 /nfs/dbraw/zinc/00/35/41/564003541.db2.gz DZORMPAXYITINQ-AYHJJNSGSA-N 1 0 340.492 4.064 40 0 EIABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000010542853 564017461 /nfs/dbraw/zinc/01/74/61/564017461.db2.gz OUGJIPRFLLEBAK-STQMWFEESA-N 1 0 343.298 4.091 40 0 EIABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000010542851 564017463 /nfs/dbraw/zinc/01/74/63/564017463.db2.gz OUGJIPRFLLEBAK-BETUJISGSA-N 1 0 343.298 4.091 40 0 EIABRO Fc1ccc2[nH]c([C@H]3CC[N@H+](Cc4c[nH]c5ccccc45)C3)nc2c1 ZINC000049169009 564032527 /nfs/dbraw/zinc/03/25/27/564032527.db2.gz UHRVBZWUBQZZKL-ZDUSSCGKSA-N 1 0 334.398 4.173 40 0 biogenic,in-vitro EIABRO c1ccc2[nH]c([C@H]3CC[N@@H+](Cc4cnc5ccccc5c4)C3)nc2c1 ZINC000049169031 564032573 /nfs/dbraw/zinc/03/25/73/564032573.db2.gz RXCMTLZGJFIYIZ-KRWDZBQOSA-N 1 0 328.419 4.101 40 0 biogenic,in-vitro EIABRO CCc1ccc(NC(=S)NCCC[N@H+]2CCCC[C@@H]2CC)cc1 ZINC000225581276 564047990 /nfs/dbraw/zinc/04/79/90/564047990.db2.gz DHCBNSOECQPTEO-SFHVURJKSA-N 1 0 333.545 4.190 40 0 EIABRO Cc1cc(-c2ccnn2C(C)C)nc([C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC000257284907 564054699 /nfs/dbraw/zinc/05/46/99/564054699.db2.gz PEUNWSFEHWPGBM-SFHVURJKSA-N 1 0 327.476 4.165 40 0 EIABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccc(N2CC3(CCCCC3)OC2=O)n1 ZINC000257291626 564054852 /nfs/dbraw/zinc/05/48/52/564054852.db2.gz QHXCZYAGGFTMRH-QGZVFWFLSA-N 1 0 343.471 4.286 40 0 EIABRO CC[NH+]1CCC(NCc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000012569443 564059870 /nfs/dbraw/zinc/05/98/70/564059870.db2.gz IKPVMMSAJHBNQW-UHFFFAOYSA-N 1 0 341.480 4.130 40 0 EIABRO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000041690392 564061662 /nfs/dbraw/zinc/06/16/62/564061662.db2.gz WQVMLLJZZDUUPC-BIZBXSGISA-N 1 0 339.564 4.383 40 0 EIABRO c1cn(CC2CC2)c([C@H]2C[N@H+](Cc3ccoc3)Cc3ccccc32)n1 ZINC000306129733 564062156 /nfs/dbraw/zinc/06/21/56/564062156.db2.gz ILHAYNHOHGJTTD-FQEVSTJZSA-N 1 0 333.435 4.034 40 0 EIABRO Cc1cc(N2Cc3ccccc3C[C@@H]2C)nc(NC2CCCCC2)[nH+]1 ZINC000328977884 564071139 /nfs/dbraw/zinc/07/11/39/564071139.db2.gz FWSNYFGLBKWLSV-INIZCTEOSA-N 1 0 336.483 4.481 40 0 EIABRO CC(C)c1nc(N2Cc3ccccc3C(C)(C)C2)cc(NC2CC2)[nH+]1 ZINC000329061823 564071995 /nfs/dbraw/zinc/07/19/95/564071995.db2.gz WUNGBRSJASZSOR-UHFFFAOYSA-N 1 0 336.483 4.472 40 0 EIABRO CC[C@H](C)Nc1nc(N2Cc3ccccc3C[C@@H]2C)cc(C(C)C)[nH+]1 ZINC000329065076 564072068 /nfs/dbraw/zinc/07/20/68/564072068.db2.gz XOVOEEILJICLSS-HOTGVXAUSA-N 1 0 338.499 4.184 40 0 EIABRO C[NH+](C)C[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000002043272 564099361 /nfs/dbraw/zinc/09/93/61/564099361.db2.gz RVEVXAOGITYJOC-QFIPXVFZSA-N 1 0 331.459 4.268 40 0 EIABRO CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)C[NH+](C)C ZINC000001530767 564116882 /nfs/dbraw/zinc/11/68/82/564116882.db2.gz XLMALTXPSGQGBX-PGRDOPGGSA-N 1 0 339.479 4.276 40 0 in-man EIABRO O=C1OC[C@@H]2CC[N@@H+](Cc3ccccc3Cl)Cc3ccccc3N12 ZINC000225483117 564135195 /nfs/dbraw/zinc/13/51/95/564135195.db2.gz CAWPYNVENVSHBY-INIZCTEOSA-N 1 0 342.826 4.071 40 0 biogenic,in-vitro EIABRO CC[N@@H+]1CCC[C@H](OC(=O)[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000004404243 210187358 /nfs/dbraw/zinc/18/73/58/210187358.db2.gz STKLCHRMHCBUCQ-PMACEKPBSA-N 1 0 329.484 4.378 40 0 EIABRO CC[NH+](CC)C[C@H](Cc1ccccc1)OC(=O)Nc1ccccc1 ZINC000003636417 210069908 /nfs/dbraw/zinc/06/99/08/210069908.db2.gz MVKHEBBJKCVXCG-IBGZPJMESA-N 1 0 326.440 4.188 40 0 EIABRO CCC[NH2+][C@H]1C[C@@H](Cc2cc(COc3ccccc3)on2)C1(C)C ZINC000067889991 215242209 /nfs/dbraw/zinc/24/22/09/215242209.db2.gz IXTHDJJEOHHIAM-BEFAXECRSA-N 1 0 328.456 4.210 40 0 biogenic,in-vitro EIABRO O[C@@](CC[NH+]1CCCC1)(Cc1ccccc1)c1cccc(Cl)c1 ZINC000001698648 209783678 /nfs/dbraw/zinc/78/36/78/209783678.db2.gz YHSIXPJKZVWQQS-FQEVSTJZSA-N 1 0 329.871 4.256 40 0 EIABRO Cc1cc(C)cc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000039759219 213242103 /nfs/dbraw/zinc/24/21/03/213242103.db2.gz ACNASAKXQUOOFZ-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO COc1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000038835097 213228892 /nfs/dbraw/zinc/22/88/92/213228892.db2.gz VYDGGBHMKJIZKB-INIZCTEOSA-N 1 0 338.451 4.179 40 0 EIABRO CC(C)C(NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)C(C)C ZINC000038849200 213228636 /nfs/dbraw/zinc/22/86/36/213228636.db2.gz MECNSHOTUUDPDM-UHFFFAOYSA-N 1 0 330.516 4.473 40 0 EIABRO Fc1ccc(CN(Cc2ccc(F)cc2)C[C@@H]2CCCC[NH2+]2)cc1 ZINC000072202939 216069178 /nfs/dbraw/zinc/06/91/78/216069178.db2.gz FKPVCFKQZVADLM-FQEVSTJZSA-N 1 0 330.422 4.109 40 0 EIABRO c1ccc(Cc2cccc([C@H]3CCC[N@H+]3Cc3cccnc3)n2)cc1 ZINC000072357674 216163621 /nfs/dbraw/zinc/16/36/21/216163621.db2.gz QDLYONYREWTKRX-JOCHJYFZSA-N 1 0 329.447 4.405 40 0 EIABRO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccoc2)n1 ZINC000072366761 216171616 /nfs/dbraw/zinc/17/16/16/216171616.db2.gz HYUREVAIHVIYQT-GOSISDBHSA-N 1 0 336.439 4.321 40 0 EIABRO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@@H+](CC(C)C)C3)n2)n1 ZINC000072375916 216179903 /nfs/dbraw/zinc/17/99/03/216179903.db2.gz RBISKDUPWGSTSI-KRWDZBQOSA-N 1 0 339.487 4.067 40 0 EIABRO CC(C)c1nccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072378667 216180752 /nfs/dbraw/zinc/18/07/52/216180752.db2.gz BIZHFRNUWHXQEJ-LJQANCHMSA-N 1 0 347.466 4.123 40 0 EIABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4ccccc4C)C3)n2)c1 ZINC000072369884 216177567 /nfs/dbraw/zinc/17/75/67/216177567.db2.gz OEKAIRUTCSRKQK-GOSISDBHSA-N 1 0 349.434 4.043 40 0 EIABRO [NH3+]CCCNc1ccnc2c(Oc3ccccc3)ccc(Cl)c12 ZINC000222683755 241542993 /nfs/dbraw/zinc/54/29/93/241542993.db2.gz SKPCOAUAIRFBRC-UHFFFAOYSA-N 1 0 327.815 4.441 40 0 EIABRO O=C(NCc1ccc2ccccc2c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000222778061 241556830 /nfs/dbraw/zinc/55/68/30/241556830.db2.gz ZBKZJHWGALFPII-UHFFFAOYSA-N 1 0 344.458 4.366 40 0 EIABRO C[NH+](C)CCCNc1nc(Nc2ccccc2)cc(-c2ccccc2)n1 ZINC000243416931 243023782 /nfs/dbraw/zinc/02/37/82/243023782.db2.gz MRKHQRMRGMGZLH-UHFFFAOYSA-N 1 0 347.466 4.251 40 0 EIABRO Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC000257223410 244192388 /nfs/dbraw/zinc/19/23/88/244192388.db2.gz DXGFNLCHRNQLOZ-SFHVURJKSA-N 1 0 327.476 4.165 40 0 EIABRO Cc1cc(Nc2ccc(F)cn2)cc(C2CC[NH+](CC3CC3)CC2)n1 ZINC000257259360 244346013 /nfs/dbraw/zinc/34/60/13/244346013.db2.gz KXYOLMOSQIYYDF-UHFFFAOYSA-N 1 0 340.446 4.257 40 0 EIABRO C[C@H](Cn1cncc1-c1cnn(C2CCCCC2)c1)[NH+]1CCCCC1 ZINC000019719930 212057319 /nfs/dbraw/zinc/05/73/19/212057319.db2.gz RRGLMRKLLFIOJU-QGZVFWFLSA-N 1 0 341.503 4.126 40 0 EIABRO Cc1c2ccccc2[nH]c1CN1CCC([NH+]2CCC(C)CC2)CC1 ZINC000019565900 212044555 /nfs/dbraw/zinc/04/45/55/212044555.db2.gz TWEAGMRMAACABU-UHFFFAOYSA-N 1 0 325.500 4.173 40 0 EIABRO COc1ccc([C@@H](Cc2ccccc2)NC(C)(C)C[NH2+]C(C)C)cc1 ZINC000019363887 212021545 /nfs/dbraw/zinc/02/15/45/212021545.db2.gz WBKSWCGABCSIOB-OAQYLSRUSA-N 1 0 340.511 4.345 40 0 EIABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(F)c1 ZINC000019346913 212019001 /nfs/dbraw/zinc/01/90/01/212019001.db2.gz NOVHKYBVAYAPJJ-HNNXBMFYSA-N 1 0 327.378 4.221 40 0 EIABRO CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1c1ccc(C)s1 ZINC000019217328 212006210 /nfs/dbraw/zinc/00/62/10/212006210.db2.gz YRNDBQNYAACELR-IEBWSBKVSA-N 1 0 346.471 4.037 40 0 EIABRO Cc1cc2c(cc1C[NH2+]C1(c3ccccc3F)CCCC1)OCO2 ZINC000012328260 211349356 /nfs/dbraw/zinc/34/93/56/211349356.db2.gz DHJHAIBFXBMBFK-UHFFFAOYSA-N 1 0 327.399 4.422 40 0 EIABRO Cc1nc[nH]c1CN(Cc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012143710 211304630 /nfs/dbraw/zinc/30/46/30/211304630.db2.gz IYADCZPKZDLXEF-UHFFFAOYSA-N 1 0 340.515 4.030 40 0 EIABRO O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000012119066 211298259 /nfs/dbraw/zinc/29/82/59/211298259.db2.gz NODDJQCTXQGZGD-OAHLLOKOSA-N 1 0 342.826 4.085 40 0 EIABRO Cc1cc(-c2noc([C@H]3CCC[NH2+]3)n2)cc(C)c1OCc1ccccc1 ZINC000095095430 218281032 /nfs/dbraw/zinc/28/10/32/218281032.db2.gz OVDJUQYUOICPAP-GOSISDBHSA-N 1 0 349.434 4.357 40 0 EIABRO CCC[NH2+][C@@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 ZINC000005671778 210513067 /nfs/dbraw/zinc/51/30/67/210513067.db2.gz QJQNWJDSSHGFLX-SFHVURJKSA-N 1 0 335.403 4.107 40 0 EIABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COC1CCC(C(C)(C)C)CC1 ZINC000005073591 210385151 /nfs/dbraw/zinc/38/51/51/210385151.db2.gz WPYJHCPYGNYTGC-JPVUVWHMSA-N 1 0 325.537 4.232 40 0 EIABRO COc1ccc2c(c1)[C@]1(C)CC[N@H+](CCc3ccccc3)[C@H](C2)[C@@H]1C ZINC000005048047 210374173 /nfs/dbraw/zinc/37/41/73/210374173.db2.gz DZXSIVYZBVEOTC-JJEOQYAHSA-N 1 0 335.491 4.462 40 0 EIABRO C[n+]1ccc(/C=C/c2cccn2CCOc2ccc(Cl)cc2)cc1 ZINC000005002277 210357873 /nfs/dbraw/zinc/35/78/73/210357873.db2.gz HYGPZZRCMZPIIQ-UHFFFAOYSA-N 1 0 339.846 4.215 40 0 EIABRO C[n+]1ccccc1/C=C/c1nc2ccccc2n1Cc1ccccc1 ZINC000004906730 210319652 /nfs/dbraw/zinc/31/96/52/210319652.db2.gz HGDQTRVNZFPKIC-UHFFFAOYSA-N 1 0 326.423 4.080 40 0 EIABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccccc1C)C2 ZINC000004857099 210303952 /nfs/dbraw/zinc/30/39/52/210303952.db2.gz ZILDTCDQNGXCTE-ALOPSCKCSA-N 1 0 331.529 4.077 40 0 EIABRO C[NH+]1[C@H](CC(=O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1 ZINC000004787611 210278426 /nfs/dbraw/zinc/27/84/26/210278426.db2.gz IDEMKXUAULKYJV-PMACEKPBSA-N 1 0 335.447 4.385 40 0 EIABRO Cc1ccc([C@@H](O)C[NH+]2CCC(Oc3ccccc3F)CC2)c(C)c1 ZINC000019132376 257912590 /nfs/dbraw/zinc/91/25/90/257912590.db2.gz AWBJJOKBLWNPEA-FQEVSTJZSA-N 1 0 343.442 4.019 40 0 EIABRO C[C@@H]1CCCC[N@@H+]1CCCOC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002026568 563418269 /nfs/dbraw/zinc/41/82/69/563418269.db2.gz BZGLBXYQOMFXAU-GFCCVEGCSA-N 1 0 330.255 4.415 40 0 in-vitro EIABRO CC[N@H+](CCNc1cc(OC)cc2cccnc21)CCc1ccccc1 ZINC000001656114 563399530 /nfs/dbraw/zinc/39/95/30/563399530.db2.gz HIPLPKKDEDRNHE-UHFFFAOYSA-N 1 0 349.478 4.220 40 0 EIABRO CC[NH2+]CCCCCCNc1cc(OC)c(Cl)c2cccnc12 ZINC000001687512 563403972 /nfs/dbraw/zinc/40/39/72/563403972.db2.gz MPDUUWVTZZZKTI-UHFFFAOYSA-N 1 0 335.879 4.479 40 0 EIABRO CC(C)[NH2+][C@H]1C2CCC(CC2)[C@@]1(O)c1ccc(Cl)c(Cl)c1 ZINC000001693020 563404209 /nfs/dbraw/zinc/40/42/09/563404209.db2.gz MQILJMOEUMZBHK-SEDVZULUSA-N 1 0 328.283 4.368 40 0 in-man EIABRO CC(C)C[NH+](CC(C)C)C[C@@H](O)c1ccc(Br)cc1 ZINC000005962659 563556210 /nfs/dbraw/zinc/55/62/10/563556210.db2.gz IFPHFRSLRPFJOV-MRXNPFEDSA-N 1 0 328.294 4.097 40 0 EIABRO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)CO[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 ZINC000006617330 563574691 /nfs/dbraw/zinc/57/46/91/563574691.db2.gz IZSDRPZNOODBAV-BIZBXSGISA-N 1 0 339.564 4.383 40 0 EIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1 ZINC000039767437 563900415 /nfs/dbraw/zinc/90/04/15/563900415.db2.gz UAUVZJBUMCZJFY-UHFFFAOYSA-N 1 0 344.405 4.124 40 0 EIABRO Cc1cccc(C[NH+]2CCC(C(=O)NC(C(C)C)C(C)C)CC2)c1 ZINC000039743446 563900701 /nfs/dbraw/zinc/90/07/01/563900701.db2.gz XQEITWILMUTGBV-UHFFFAOYSA-N 1 0 330.516 4.004 40 0 EIABRO COc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000030754657 563910493 /nfs/dbraw/zinc/91/04/93/563910493.db2.gz FZWRQKGDTXRZHU-UHFFFAOYSA-N 1 0 338.451 4.179 40 0 EIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc(C)s2)o1 ZINC000043277750 563925672 /nfs/dbraw/zinc/92/56/72/563925672.db2.gz ZBBMEEXWDHFPMZ-UHFFFAOYSA-N 1 0 329.469 4.247 40 0 EIABRO CC[C@H]1CCC[N@H+](C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 ZINC000026781032 563950111 /nfs/dbraw/zinc/95/01/11/563950111.db2.gz DAEXSSOBURHTQY-SFXFZMGTSA-N 1 0 349.559 4.092 40 0 EIABRO C[NH+]1CCC(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000074921037 563967033 /nfs/dbraw/zinc/96/70/33/563967033.db2.gz BLVSDNYHZDRVCM-UHFFFAOYSA-N 1 0 334.769 4.029 40 0 EIABRO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099674 563971388 /nfs/dbraw/zinc/97/13/88/563971388.db2.gz WBBARXKFNPVNHN-PGRDOPGGSA-N 1 0 340.511 4.252 40 0 EIABRO CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000585109352 563971664 /nfs/dbraw/zinc/97/16/64/563971664.db2.gz LPVWNUDXIMZTSS-PCCBWWKXSA-N 1 0 348.490 4.119 40 0 EIABRO NNc1cc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc[nH+]1 ZINC000089263551 563974702 /nfs/dbraw/zinc/97/47/02/563974702.db2.gz FJFOZQGWCOZJLR-UHFFFAOYSA-N 1 0 337.235 4.465 40 0 EIABRO c1csc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CCCC3)C2)c1 ZINC000107752062 563984133 /nfs/dbraw/zinc/98/41/33/563984133.db2.gz MLZRAKKTHLMVRT-PMACEKPBSA-N 1 0 349.540 4.326 40 0 EIABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1C ZINC000072215200 563985139 /nfs/dbraw/zinc/98/51/39/563985139.db2.gz DSBYWWZDGQDTFM-HOCLYGCPSA-N 1 0 333.476 4.388 40 0 EIABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(C)c2OC)cc1 ZINC000000557468 564012713 /nfs/dbraw/zinc/01/27/13/564012713.db2.gz UGMYJFRXCCLBDE-UHFFFAOYSA-N 1 0 326.440 4.098 40 0 EIABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)cc1 ZINC000049170535 564032640 /nfs/dbraw/zinc/03/26/40/564032640.db2.gz GDARKSVQEYQOLM-AWEZNQCLSA-N 1 0 341.361 4.004 40 0 biogenic,in-vitro EIABRO CC1CC[NH+](Cc2ccc(C(=O)NCC3=CCCCC3)cc2)CC1 ZINC000224330657 564042436 /nfs/dbraw/zinc/04/24/36/564042436.db2.gz OSIBAMWNCJDQLE-UHFFFAOYSA-N 1 0 326.484 4.149 40 0 EIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1(c2ccccc2)CCCC1 ZINC000224407722 564042532 /nfs/dbraw/zinc/04/25/32/564042532.db2.gz APBQIQNAPDZCKI-FQEVSTJZSA-N 1 0 342.527 4.269 40 0 EIABRO O=C(NCC1CCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224537625 564043088 /nfs/dbraw/zinc/04/30/88/564043088.db2.gz DFOAVEDTQZDDME-UHFFFAOYSA-N 1 0 348.918 4.249 40 0 EIABRO CC(C)Oc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1 ZINC000225400955 564046445 /nfs/dbraw/zinc/04/64/45/564046445.db2.gz HRMVCGLUACVLNP-UHFFFAOYSA-N 1 0 349.544 4.026 40 0 EIABRO C[NH+](C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1 ZINC000001714738 564065554 /nfs/dbraw/zinc/06/55/54/564065554.db2.gz RSUVYMGADVXGOU-BUHFOSPRSA-N 1 0 340.492 4.382 40 0 investigational EIABRO C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C3CCCCC3)cc2)C1 ZINC000006008019 564066299 /nfs/dbraw/zinc/06/62/99/564066299.db2.gz PWGBPXYUGNRPLF-FXAWDEMLSA-N 1 0 331.500 4.206 40 0 EIABRO COc1cc(Nc2cc[nH+]c3cc(OC)c(OC)cc23)cc(OC)c1 ZINC000065005340 564099522 /nfs/dbraw/zinc/09/95/22/564099522.db2.gz VUHWUTBLZRZKST-UHFFFAOYSA-N 1 0 340.379 4.013 40 0 EIABRO Cc1ccc(C)c([C@@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000019132038 564127971 /nfs/dbraw/zinc/12/79/71/564127971.db2.gz VOFQAAUHBRLSNS-UTKZUKDTSA-N 1 0 349.478 4.093 40 0 EIABRO C[C@@H]1OC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[C@@H](/C=C\[C@H]3CCC[C@@H](C)[N@@H+]3C)[C@H]21 ZINC000052429252 214128022 /nfs/dbraw/zinc/12/80/22/214128022.db2.gz FMPNFDSPHNUFOS-VALWZWAMSA-N 1 0 345.527 4.419 40 0 EIABRO C[C@@H](COC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1)C[NH+]1CCCC1 ZINC000004410996 210189769 /nfs/dbraw/zinc/18/97/69/210189769.db2.gz LOROOXLFVZBGQW-GIVPXCGWSA-N 1 0 341.495 4.402 40 0 EIABRO CC(C)(C)c1cc(C[C@@H]2C[C@H]([NH2+]Cc3ccccn3)C2(C)C)no1 ZINC000067889819 215242303 /nfs/dbraw/zinc/24/23/03/215242303.db2.gz VLKBGUAQAPLZRR-PBHICJAKSA-N 1 0 327.472 4.114 40 0 biogenic,in-vitro EIABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC000039772916 213242694 /nfs/dbraw/zinc/24/26/94/213242694.db2.gz BIAQLWHHZFHHRK-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO O=C(Nc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038833862 213228925 /nfs/dbraw/zinc/22/89/25/213228925.db2.gz ZZIAWXGLGIMGIH-INIZCTEOSA-N 1 0 328.843 4.191 40 0 EIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCc4ccccc4C3)cc2)C1 ZINC000038835926 213228613 /nfs/dbraw/zinc/22/86/13/213228613.db2.gz LJCPTEKQIURVMT-SFHVURJKSA-N 1 0 348.490 4.117 40 0 EIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000038849307 213228534 /nfs/dbraw/zinc/22/85/34/213228534.db2.gz SAPQAPCOFDKHHH-OAHLLOKOSA-N 1 0 326.415 4.310 40 0 EIABRO Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(C)c1 ZINC000036743843 213116375 /nfs/dbraw/zinc/11/63/75/213116375.db2.gz IFBKTSMUHHSBHQ-LAUBAEHRSA-N 1 0 349.478 4.093 40 0 EIABRO Cc1c(C)n(C[C@@H](O)C[NH2+][C@H]2CCCC[C@@H]2C)c2c1cccc2Cl ZINC000035075095 213007141 /nfs/dbraw/zinc/00/71/41/213007141.db2.gz ZBMWXQGMDJSFMW-AXHNFQJDSA-N 1 0 348.918 4.441 40 0 EIABRO Fc1ccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccn3)C2)cc1 ZINC000072358610 216166083 /nfs/dbraw/zinc/16/60/83/216166083.db2.gz OTQZMHFPPGTBLJ-QGZVFWFLSA-N 1 0 348.425 4.057 40 0 EIABRO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000072355671 216164028 /nfs/dbraw/zinc/16/40/28/216164028.db2.gz QGPJMLWNUZSLMO-QGZVFWFLSA-N 1 0 338.480 4.228 40 0 EIABRO c1ccc(Cc2cccc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)cc1 ZINC000072357673 216164088 /nfs/dbraw/zinc/16/40/88/216164088.db2.gz QDLYONYREWTKRX-QFIPXVFZSA-N 1 0 329.447 4.405 40 0 EIABRO COc1ccc(-c2noc([C@@H]3CC[N@H+](Cc4ccccc4C)C3)n2)cc1 ZINC000072369928 216178209 /nfs/dbraw/zinc/17/82/09/216178209.db2.gz TWXZFTOKYFODHZ-GOSISDBHSA-N 1 0 349.434 4.043 40 0 EIABRO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C3CCCCC3)cc2)C1 ZINC000026781480 212534646 /nfs/dbraw/zinc/53/46/46/212534646.db2.gz PWGBPXYUGNRPLF-YLJYHZDGSA-N 1 0 331.500 4.206 40 0 EIABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000022074800 212276815 /nfs/dbraw/zinc/27/68/15/212276815.db2.gz QXIFEMKKYSHHBY-MRXNPFEDSA-N 1 0 340.250 4.215 40 0 EIABRO CCOc1ccc(Br)cc1C[NH2+]CCc1ccccc1 ZINC000022074362 212275405 /nfs/dbraw/zinc/27/54/05/212275405.db2.gz WVQYZTRMOIUQGC-UHFFFAOYSA-N 1 0 334.257 4.180 40 0 EIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3c(F)cccc3F)cc2)C1 ZINC000216265626 241177527 /nfs/dbraw/zinc/17/75/27/241177527.db2.gz RLTXJOQHEGWIMG-CQSZACIVSA-N 1 0 344.405 4.449 40 0 EIABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1Cl ZINC000224642821 241771921 /nfs/dbraw/zinc/77/19/21/241771921.db2.gz XPMBGDCOVAWCAB-UHFFFAOYSA-N 1 0 342.870 4.256 40 0 EIABRO Cc1ccc(N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C ZINC000225902017 242074496 /nfs/dbraw/zinc/07/44/96/242074496.db2.gz BPZWXZCHBROEQK-FQEVSTJZSA-N 1 0 336.479 4.178 40 0 EIABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c(C)c1 ZINC000020487486 212137715 /nfs/dbraw/zinc/13/77/15/212137715.db2.gz OERDXXJLQUTKMI-GOSISDBHSA-N 1 0 336.479 4.390 40 0 EIABRO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3ccccn3)c2)n1 ZINC000257209081 244142776 /nfs/dbraw/zinc/14/27/76/244142776.db2.gz BOWBHQIKLXEEHV-LJQANCHMSA-N 1 0 345.450 4.261 40 0 EIABRO Cc1cc(C)nc(Nc2cccc(C3CC[NH+](CC(C)C)CC3)n2)n1 ZINC000257242692 244246848 /nfs/dbraw/zinc/24/68/48/244246848.db2.gz IDSKAPBYSQUYFL-UHFFFAOYSA-N 1 0 339.487 4.067 40 0 EIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)C1 ZINC000020042664 212097078 /nfs/dbraw/zinc/09/70/78/212097078.db2.gz GLIXAVBDHRLAQD-AWEZNQCLSA-N 1 0 344.405 4.449 40 0 EIABRO CCCn1nc(C)c(-c2cncn2[C@H](CC)C[NH+]2CCCCC2)c1C ZINC000019654600 212052553 /nfs/dbraw/zinc/05/25/53/212052553.db2.gz XDPRNGCYVGPDHJ-GOSISDBHSA-N 1 0 343.519 4.210 40 0 EIABRO C[N@H+](CCc1ccccc1)Cc1c2cccnc2[nH]c1-c1ccco1 ZINC000019586215 212049115 /nfs/dbraw/zinc/04/91/15/212049115.db2.gz SLBAHLJKZHHGHD-UHFFFAOYSA-N 1 0 331.419 4.497 40 0 EIABRO Cc1oc2ccccc2c1CN(CC[NH+](C)C)Cc1cccs1 ZINC000019581937 212047474 /nfs/dbraw/zinc/04/74/74/212047474.db2.gz GMZKBSYNGNSOMF-UHFFFAOYSA-N 1 0 328.481 4.367 40 0 EIABRO CCC[N@H+](Cc1ccc(OC)cc1)[C@@H]1COC[C@H]1c1ccc(F)cc1 ZINC000019502485 212034556 /nfs/dbraw/zinc/03/45/56/212034556.db2.gz WONBBEYKVKTBLH-LEWJYISDSA-N 1 0 343.442 4.229 40 0 EIABRO CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000019520177 212036285 /nfs/dbraw/zinc/03/62/85/212036285.db2.gz BUISKCJYGOQDMZ-QGZVFWFLSA-N 1 0 335.451 4.341 40 0 EIABRO c1cc(-c2cc(Nc3ccccc3)nc([C@H]3CCC[NH2+]C3)n2)cs1 ZINC000019373268 212023848 /nfs/dbraw/zinc/02/38/48/212023848.db2.gz SVQPTOBIESFBRS-AWEZNQCLSA-N 1 0 336.464 4.416 40 0 EIABRO COc1ccc([C@H](Cc2ccccc2)NC(C)(C)C[NH2+]C(C)C)cc1 ZINC000019365961 212022117 /nfs/dbraw/zinc/02/21/17/212022117.db2.gz WBKSWCGABCSIOB-NRFANRHFSA-N 1 0 340.511 4.345 40 0 EIABRO Clc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccs4)no3)C2)cc1 ZINC000019344676 212017536 /nfs/dbraw/zinc/01/75/36/212017536.db2.gz BYSSWFVSPHEAGX-CYBMUJFWSA-N 1 0 345.855 4.441 40 0 EIABRO COc1cccc(C[N@@H+]2CCC[C@H](c3nc(C)n4ccccc34)C2)c1 ZINC000019240676 212008986 /nfs/dbraw/zinc/00/89/86/212008986.db2.gz IPVDFBTZSLAHSX-SFHVURJKSA-N 1 0 335.451 4.031 40 0 EIABRO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCCOC)cc1 ZINC000012241218 211328373 /nfs/dbraw/zinc/32/83/73/211328373.db2.gz JNCLGGQLGJPOQY-GOSISDBHSA-N 1 0 331.481 4.283 40 0 EIABRO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(Oc2ncccn2)cc1 ZINC000012241138 211327982 /nfs/dbraw/zinc/32/79/82/211327982.db2.gz QVRCEZNYQUYZCZ-AWEZNQCLSA-N 1 0 337.448 4.450 40 0 EIABRO C[C@@H](CC[NH+]1CCC(c2[nH]nc3ncccc32)CC1)c1ccccc1 ZINC000012143428 211305281 /nfs/dbraw/zinc/30/52/81/211305281.db2.gz LNRWANQYXLGVOD-INIZCTEOSA-N 1 0 334.467 4.331 40 0 EIABRO CC(=O)Nc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cc(C)no2)cc1 ZINC000012120280 211297229 /nfs/dbraw/zinc/29/72/29/211297229.db2.gz XOSPKSYUNFGHQT-GOSISDBHSA-N 1 0 327.428 4.059 40 0 EIABRO c1cc2n(c1)-c1ccccc1NC21CC[NH+](CCc2ccccc2)CC1 ZINC000012113175 211292914 /nfs/dbraw/zinc/29/29/14/211292914.db2.gz WSPJJMBORWKIRM-UHFFFAOYSA-N 1 0 343.474 4.437 40 0 EIABRO C[C@H]1C[C@H](C)C[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000011852048 211259792 /nfs/dbraw/zinc/25/97/92/211259792.db2.gz ALSKJBPWZSRVLV-OKZBNKHCSA-N 1 0 336.479 4.133 40 0 EIABRO CC[C@@H](C)[NH2+][C@@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 ZINC000005476276 210471004 /nfs/dbraw/zinc/47/10/04/210471004.db2.gz SYOCBNWEFSCYBH-BEFAXECRSA-N 1 0 349.430 4.495 40 0 EIABRO O[C@](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)(c1ccco1)c1ccccc1 ZINC000004934851 210328808 /nfs/dbraw/zinc/32/88/08/210328808.db2.gz UNCNSZQWGTZHQX-WFXMLNOXSA-N 1 0 325.452 4.028 40 0 EIABRO C[C@H]1CCC[N@H+](CCOC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000004791888 210278227 /nfs/dbraw/zinc/27/82/27/210278227.db2.gz QMIALDKBKMPFPV-LBPRGKRZSA-N 1 0 330.255 4.272 40 0 EIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)c1 ZINC000009062993 257862373 /nfs/dbraw/zinc/86/23/73/257862373.db2.gz XJFLBOLBDJXGMA-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO CCOc1cc(C=O)ccc1OCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000217799364 535671233 /nfs/dbraw/zinc/67/12/33/535671233.db2.gz VRJPPWFPVGSCAS-IAGOWNOFSA-N 1 0 333.472 4.035 40 0 EIABRO CC1(c2cccc[n+]2Cc2ccc(Cl)c3ccccc23)OCCO1 ZINC000001565468 563392524 /nfs/dbraw/zinc/39/25/24/563392524.db2.gz HZSADIUJGCWVEU-UHFFFAOYSA-N 1 0 340.830 4.049 40 0 EIABRO O=C(CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccccc1C(F)(F)F ZINC000001615821 563396759 /nfs/dbraw/zinc/39/67/59/563396759.db2.gz FLQPSPMYLGCBHM-KBPBESRZSA-N 1 0 325.374 4.400 40 0 EIABRO C[C@@H](C[NH+]1CCCC1)OC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000001648458 563399306 /nfs/dbraw/zinc/39/93/06/563399306.db2.gz IVQGMURVQGDFDP-IHPCNDPISA-N 1 0 327.468 4.154 40 0 EIABRO CC(=O)N(c1ccccc1)C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000001850111 563414279 /nfs/dbraw/zinc/41/42/79/563414279.db2.gz OKTLVZBUKMRPLL-SFHVURJKSA-N 1 0 336.479 4.135 40 0 in-man EIABRO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000002694539 563445912 /nfs/dbraw/zinc/44/59/12/563445912.db2.gz YSBWPYOHMLOJIM-AOIWGVFYSA-N 1 0 327.468 4.291 40 0 EIABRO CCOCCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000008253195 563624268 /nfs/dbraw/zinc/62/42/68/563624268.db2.gz UHCFVDXEGXSHJO-UHFFFAOYSA-N 1 0 333.859 4.435 40 0 EIABRO CCOCCC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1 ZINC000008253207 563624343 /nfs/dbraw/zinc/62/43/43/563624343.db2.gz KXTLIJKHSRPXRQ-UHFFFAOYSA-N 1 0 343.467 4.181 40 0 EIABRO CCOc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OC ZINC000008253584 563624712 /nfs/dbraw/zinc/62/47/12/563624712.db2.gz NQQVDBPBSYRFGT-UHFFFAOYSA-N 1 0 342.277 4.279 40 0 EIABRO C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008535069 563631877 /nfs/dbraw/zinc/63/18/77/563631877.db2.gz HBCVVNMSWITLTQ-GFCCVEGCSA-N 1 0 340.250 4.043 40 0 EIABRO CC1(C)CCCN(C(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000039745027 563900719 /nfs/dbraw/zinc/90/07/19/563900719.db2.gz UYLFTVJVWPMMRA-UHFFFAOYSA-N 1 0 348.918 4.201 40 0 EIABRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000245319123 563950317 /nfs/dbraw/zinc/95/03/17/563950317.db2.gz ZKGHLKYIPSVZNW-AFYVEPGGSA-N 1 0 325.537 4.089 40 0 EIABRO C[C@H](c1ccccc1)[N@@H+]1CCC[C@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099675 563971383 /nfs/dbraw/zinc/97/13/83/563971383.db2.gz WBBARXKFNPVNHN-XMSQKQJNSA-N 1 0 340.511 4.252 40 0 EIABRO C[C@@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2CC1CCCCC1 ZINC000585108924 563971682 /nfs/dbraw/zinc/97/16/82/563971682.db2.gz DYQITXZYUGLBKX-VDGAXYAQSA-N 1 0 326.484 4.003 40 0 EIABRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccsc3)C[C@@H]21 ZINC000096058318 563978842 /nfs/dbraw/zinc/97/88/42/563978842.db2.gz CZFQZRXQKFPSLD-UFYCRDLUSA-N 1 0 326.509 4.359 40 0 EIABRO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(C)n2)C3)c1 ZINC000096216231 563980376 /nfs/dbraw/zinc/98/03/76/563980376.db2.gz YFFCSAQDPLDPHC-QHCPKHFHSA-N 1 0 349.522 4.187 40 0 EIABRO Cc1ccc(OCC2(O)CC[NH+](C3CCC(C)(C)CC3)CC2)cc1 ZINC000585281956 563981813 /nfs/dbraw/zinc/98/18/13/563981813.db2.gz VOJSHHJQHZNXCP-UHFFFAOYSA-N 1 0 331.500 4.170 40 0 EIABRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)cc1 ZINC000585289243 563981959 /nfs/dbraw/zinc/98/19/59/563981959.db2.gz OOMOGLZNWSROIW-XUVXKRRUSA-N 1 0 345.870 4.099 40 0 EIABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072214692 563984883 /nfs/dbraw/zinc/98/48/83/563984883.db2.gz FTLCNUDHCGATFD-INIZCTEOSA-N 1 0 333.476 4.390 40 0 EIABRO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072214798 563984954 /nfs/dbraw/zinc/98/49/54/563984954.db2.gz HQOAUVHRTRPPBU-MRXNPFEDSA-N 1 0 333.476 4.388 40 0 EIABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[NH2+]1 ZINC000072215252 563985244 /nfs/dbraw/zinc/98/52/44/563985244.db2.gz JNIDWZWTACDBFO-GOEBONIOSA-N 1 0 333.476 4.436 40 0 EIABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1N1CCc2ccccc2C1 ZINC000072222856 563985821 /nfs/dbraw/zinc/98/58/21/563985821.db2.gz HSKLABVNZBJSDT-NRFANRHFSA-N 1 0 329.447 4.001 40 0 EIABRO COc1ccc(Cl)cc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000000514850 564012574 /nfs/dbraw/zinc/01/25/74/564012574.db2.gz CYLKELCAKLFQDX-UHFFFAOYSA-N 1 0 344.842 4.197 40 0 EIABRO CCOc1cccc(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)c1 ZINC000000568294 564012749 /nfs/dbraw/zinc/01/27/49/564012749.db2.gz YTIFEWWDQLGYBD-UHFFFAOYSA-N 1 0 326.440 4.179 40 0 EIABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]Cc3cccs3)o2)cc1 ZINC000007519922 564015573 /nfs/dbraw/zinc/01/55/73/564015573.db2.gz LOOGWKRJVQCNEP-UHFFFAOYSA-N 1 0 341.432 4.475 40 0 EIABRO CCc1ccc(OCC(=O)Nc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000008086964 564015987 /nfs/dbraw/zinc/01/59/87/564015987.db2.gz OHJOTJGTWHNBBL-UHFFFAOYSA-N 1 0 340.467 4.108 40 0 EIABRO COCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008469104 564016369 /nfs/dbraw/zinc/01/63/69/564016369.db2.gz GEQVQZGLRYWSMZ-UHFFFAOYSA-N 1 0 340.250 4.308 40 0 EIABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000009062872 564016593 /nfs/dbraw/zinc/01/65/93/564016593.db2.gz GNSLQLGWLVZDOC-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO CSc1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010338199 564017295 /nfs/dbraw/zinc/01/72/95/564017295.db2.gz PYSNUWANCNJCIR-UHFFFAOYSA-N 1 0 326.465 4.257 40 0 EIABRO COc1ccc(C[N@@H+](Cc2ccncc2)CC2CCCC2)cc1OC ZINC000013989878 564020806 /nfs/dbraw/zinc/02/08/06/564020806.db2.gz KDFXBZXLLNHLSO-UHFFFAOYSA-N 1 0 340.467 4.291 40 0 EIABRO Cc1ccc(C[N@H+](Cc2cccc(OC(C)C)c2)C[C@H](C)O)s1 ZINC000013991963 564020829 /nfs/dbraw/zinc/02/08/29/564020829.db2.gz XZJAAVSBPOXRAN-HNNXBMFYSA-N 1 0 333.497 4.227 40 0 EIABRO Cc1ccsc1C[N@H+](CCCO)Cc1ccccc1C(F)(F)F ZINC000013997302 564020891 /nfs/dbraw/zinc/02/08/91/564020891.db2.gz LHIJWSQKWZWYLV-UHFFFAOYSA-N 1 0 343.414 4.460 40 0 EIABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)cc1 ZINC000049170576 564032632 /nfs/dbraw/zinc/03/26/32/564032632.db2.gz USXDSZHOZDHTMM-INIZCTEOSA-N 1 0 337.398 4.174 40 0 biogenic,in-vitro EIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCC3CCCCC3)cc2)C1 ZINC000224335380 564042426 /nfs/dbraw/zinc/04/24/26/564042426.db2.gz AZMNMXZRDKUEMT-QGZVFWFLSA-N 1 0 328.500 4.229 40 0 EIABRO CC1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCCC1 ZINC000225596663 564048172 /nfs/dbraw/zinc/04/81/72/564048172.db2.gz MVSCZKKQQHUKDR-UHFFFAOYSA-N 1 0 330.472 4.070 40 0 EIABRO CC1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCCC1 ZINC000225597167 564048187 /nfs/dbraw/zinc/04/81/87/564048187.db2.gz HXTDYQZJAIDZNT-UHFFFAOYSA-N 1 0 330.472 4.070 40 0 EIABRO CCc1cc(N2Cc3ccccc3C[C@@H]2C)nc(NC2CCCC2)[nH+]1 ZINC000329067377 564072096 /nfs/dbraw/zinc/07/20/96/564072096.db2.gz YIJUYZQBDCVGDL-HNNXBMFYSA-N 1 0 336.483 4.345 40 0 EIABRO O=C1C(C[NH+]2CCCCC2)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 ZINC000104269467 219367723 /nfs/dbraw/zinc/36/77/23/219367723.db2.gz NLPPWDBRADHGEK-FQEVSTJZSA-N 1 0 348.446 4.073 40 0 EIABRO CC[C@H](C)C[C@H](C)/C=C/CC[C@@H](O)[C@H](Cc1ccc(O)cc1)[NH2+]C ZINC000066065961 291007011 /nfs/dbraw/zinc/00/70/11/291007011.db2.gz RNCWKUCWPBNWOH-YNJIXTKQSA-N 1 0 333.516 4.292 40 0 biogenic,in-vitro EIABRO CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@H](C)C[NH+](C)C ZINC000001530768 209756036 /nfs/dbraw/zinc/75/60/36/209756036.db2.gz XLMALTXPSGQGBX-XMSQKQJNSA-N 1 0 339.479 4.276 40 0 world EIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000039742959 213242950 /nfs/dbraw/zinc/24/29/50/213242950.db2.gz OFQKCOLDZJBSDL-UHFFFAOYSA-N 1 0 336.479 4.463 40 0 EIABRO O=C(Nc1ccccc1F)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038849228 213227763 /nfs/dbraw/zinc/22/77/63/213227763.db2.gz GJEMNCYKAFLLSI-OAHLLOKOSA-N 1 0 346.833 4.330 40 0 EIABRO Fc1ccc(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC000072358318 216165650 /nfs/dbraw/zinc/16/56/50/216165650.db2.gz DTGFISGOKOXIKG-MRXNPFEDSA-N 1 0 325.431 4.405 40 0 EIABRO c1cn(-c2cccc([C@H]3CCC[N@@H+](CCCc4ccccc4)C3)n2)cn1 ZINC000072378671 216181406 /nfs/dbraw/zinc/18/14/06/216181406.db2.gz WSUOYKBKUOEHKM-FQEVSTJZSA-N 1 0 346.478 4.080 40 0 EIABRO CCN(CC)CC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000022075065 212277099 /nfs/dbraw/zinc/27/70/99/212277099.db2.gz OELCMOQMKOETCN-UHFFFAOYSA-N 1 0 346.902 4.350 40 0 EIABRO CCN(CC)CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000022075054 212276640 /nfs/dbraw/zinc/27/66/40/212276640.db2.gz SPXNNAPUQPPLKE-UHFFFAOYSA-N 1 0 346.902 4.350 40 0 EIABRO Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000020111106 212102477 /nfs/dbraw/zinc/10/24/77/212102477.db2.gz WLHPBEGSBWOLDN-UHFFFAOYSA-N 1 0 336.479 4.157 40 0 EIABRO CC1CC[NH+](Cc2ccc(C(=O)N3CCCC(C)(C)C3)cc2)CC1 ZINC000020108724 212102271 /nfs/dbraw/zinc/10/22/71/212102271.db2.gz QQHHWRUNCKZTNN-UHFFFAOYSA-N 1 0 328.500 4.181 40 0 EIABRO COc1ccc(-c2cc([C@@H]3CC[N@H+](CCc4ccccc4)C3)[nH]n2)cc1 ZINC000019557928 212042466 /nfs/dbraw/zinc/04/24/66/212042466.db2.gz MMDVDXDLOIXJKP-LJQANCHMSA-N 1 0 347.462 4.117 40 0 EIABRO CCC(C)(C)c1ccc(OCCCCCCN2CC[NH2+]CC2)cc1 ZINC000019366353 212023195 /nfs/dbraw/zinc/02/31/95/212023195.db2.gz XFNCEPNJAJVWKY-UHFFFAOYSA-N 1 0 332.532 4.219 40 0 EIABRO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2ccccc2C)on1 ZINC000019237206 212007743 /nfs/dbraw/zinc/00/77/43/212007743.db2.gz TXCVIJJNRDYMTD-GOSISDBHSA-N 1 0 336.439 4.409 40 0 EIABRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000079438720 217224750 /nfs/dbraw/zinc/22/47/50/217224750.db2.gz ONJHQVPXJCESND-VWGXWWAPSA-N 1 0 330.472 4.079 40 0 EIABRO CCCn1nc(C)c(C[NH2+]C2(c3ccccc3OC)CCCC2)c1C ZINC000012344829 211352505 /nfs/dbraw/zinc/35/25/05/211352505.db2.gz KBSJWTIZOMAJLL-UHFFFAOYSA-N 1 0 341.499 4.478 40 0 EIABRO COCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008469248 210954048 /nfs/dbraw/zinc/95/40/48/210954048.db2.gz VQDRBSIWJRZNIN-UHFFFAOYSA-N 1 0 340.250 4.308 40 0 EIABRO CCOc1cc(C[NH2+]C2CCCC2)cc(Br)c1OCC ZINC000008253810 210919708 /nfs/dbraw/zinc/91/97/08/210919708.db2.gz DTBOGIQXJVVOKU-UHFFFAOYSA-N 1 0 342.277 4.279 40 0 EIABRO CC(C)CC[C@H](C(N)=O)[C@H]1[NH2+]C2(CCCCC2)Cc2ccccc21 ZINC000005832595 210544867 /nfs/dbraw/zinc/54/48/67/210544867.db2.gz IEYQENFPCJVEIG-OALUTQOASA-N 1 0 328.500 4.114 40 0 EIABRO CC[C@]1(C)C[C@@]2(CCC[N@H+](CCC(=O)c3ccccc3)C2)CCO1 ZINC000005008156 210361260 /nfs/dbraw/zinc/36/12/60/210361260.db2.gz HPAWIRFVASVWBY-NHCUHLMSSA-N 1 0 329.484 4.321 40 0 EIABRO CC(C)[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccc(Cl)cc1)C2 ZINC000004887855 210313552 /nfs/dbraw/zinc/31/35/52/210313552.db2.gz YRKFSSLTFSMBQS-ALOPSCKCSA-N 1 0 335.879 4.255 40 0 EIABRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118926858 221205334 /nfs/dbraw/zinc/20/53/34/221205334.db2.gz KIVXGCJMIWJWBX-JASYKLOUSA-N 1 0 345.527 4.421 40 0 EIABRO CC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215313 257688698 /nfs/dbraw/zinc/68/86/98/257688698.db2.gz MCCSQPBHWPWHCQ-MRXNPFEDSA-N 1 0 331.460 4.142 40 0 EIABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1C ZINC000072214752 257689727 /nfs/dbraw/zinc/68/97/27/257689727.db2.gz NHTXZKJFSZAGEN-INIZCTEOSA-N 1 0 333.476 4.390 40 0 EIABRO Cc1cccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000019234948 524402052 /nfs/dbraw/zinc/40/20/52/524402052.db2.gz RUAIEUPIIGMCFC-OAHLLOKOSA-N 1 0 325.437 4.096 40 0 EIABRO CC[NH+](CC)CCC[C@H](C)Nc1c(C)cnc2c(OC)cccc21 ZINC000001729635 563407900 /nfs/dbraw/zinc/40/79/00/563407900.db2.gz CNKVVSRAKNUCQY-INIZCTEOSA-N 1 0 329.488 4.474 40 0 EIABRO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000006356067 563566017 /nfs/dbraw/zinc/56/60/17/563566017.db2.gz YSBWPYOHMLOJIM-LNLFQRSKSA-N 1 0 327.468 4.291 40 0 EIABRO CCOCCC[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000008253176 563624298 /nfs/dbraw/zinc/62/42/98/563624298.db2.gz YZZNNMCUIZHAPS-UHFFFAOYSA-N 1 0 343.467 4.099 40 0 EIABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000008430161 563630028 /nfs/dbraw/zinc/63/00/28/563630028.db2.gz LVDYMIGJGJYXHV-UHFFFAOYSA-N 1 0 348.490 4.091 40 0 EIABRO Clc1ccccc1COc1cccc(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000016450046 563812065 /nfs/dbraw/zinc/81/20/65/563812065.db2.gz GQOQQZGCSFACES-SFHVURJKSA-N 1 0 331.843 4.188 40 0 EIABRO c1coc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000072341588 563966385 /nfs/dbraw/zinc/96/63/85/563966385.db2.gz FCRZKCYWZIJWKU-GOTSBHOMSA-N 1 0 346.474 4.428 40 0 EIABRO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CCF)CC2)cc1 ZINC000585099951 563971427 /nfs/dbraw/zinc/97/14/27/563971427.db2.gz ATXUCYAFXLMOSE-OAQYLSRUSA-N 1 0 346.490 4.127 40 0 EIABRO c1cn2c(cccc2C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)n1 ZINC000585182559 563975100 /nfs/dbraw/zinc/97/51/00/563975100.db2.gz QLOWKAWBOCAMKE-UHFFFAOYSA-N 1 0 330.435 4.195 40 0 EIABRO c1cn2c(cccc2[C@@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000585182556 563975111 /nfs/dbraw/zinc/97/51/11/563975111.db2.gz NZDLJHHBLWIFOV-QGZVFWFLSA-N 1 0 330.435 4.195 40 0 EIABRO Cc1ccc(CN2CCC[C@@]3(CC[N@H+](Cc4ccsc4)C3)C2)o1 ZINC000096046936 563978034 /nfs/dbraw/zinc/97/80/34/563978034.db2.gz PZQPKGSIKJNPQD-LJQANCHMSA-N 1 0 330.497 4.138 40 0 EIABRO c1nc(Nc2cc(C3CC[NH2+]CC3)ccn2)sc1-c1ccccc1 ZINC000585263317 563981055 /nfs/dbraw/zinc/98/10/55/563981055.db2.gz VORQSCIEECFIJZ-UHFFFAOYSA-N 1 0 336.464 4.416 40 0 EIABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]Cc3ccccc3Cl)cc12 ZINC000013998564 563982541 /nfs/dbraw/zinc/98/25/41/563982541.db2.gz DIKJLZKDRGGXBA-UHFFFAOYSA-N 1 0 326.827 4.088 40 0 EIABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214518 563984786 /nfs/dbraw/zinc/98/47/86/563984786.db2.gz WKYPAAKYRJTRRY-MRXNPFEDSA-N 1 0 333.476 4.388 40 0 EIABRO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072214797 563984931 /nfs/dbraw/zinc/98/49/31/563984931.db2.gz HQOAUVHRTRPPBU-INIZCTEOSA-N 1 0 333.476 4.388 40 0 EIABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4cccc(C)c4)C3)n2)c1 ZINC000072369886 563990985 /nfs/dbraw/zinc/99/09/85/563990985.db2.gz DXFKRDRMNJXDPX-GOSISDBHSA-N 1 0 349.434 4.043 40 0 EIABRO C[n+]1cccc([C@@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)c1 ZINC000000207078 563996643 /nfs/dbraw/zinc/99/66/43/563996643.db2.gz UURFISZXAOBZQC-NRFANRHFSA-N 1 0 349.498 4.077 40 0 EIABRO Clc1ccccc1C[N@@H+]1CC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000049169293 564032548 /nfs/dbraw/zinc/03/25/48/564032548.db2.gz TVHWFYMPDQBVSQ-INIZCTEOSA-N 1 0 339.826 4.380 40 0 biogenic,in-vitro EIABRO Cc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4C)C3)o2)cc1 ZINC000049169958 564032597 /nfs/dbraw/zinc/03/25/97/564032597.db2.gz ZYLGMMHMEXTICA-IBGZPJMESA-N 1 0 333.435 4.343 40 0 biogenic,in-vitro EIABRO C[C@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(C)CCCC3)cc2)C1 ZINC000225596827 564048163 /nfs/dbraw/zinc/04/81/63/564048163.db2.gz RMXAQTRRXLBZSY-KRWDZBQOSA-N 1 0 344.499 4.316 40 0 EIABRO CC(C)n1ncc2c1-c1ccccc1OC21CC[NH+](C2CCC2)CC1 ZINC000306144098 564062388 /nfs/dbraw/zinc/06/23/88/564062388.db2.gz YWDGQFJDYQHYMW-UHFFFAOYSA-N 1 0 337.467 4.367 40 0 EIABRO CCc1cc(N2Cc3ccccc3CC2(C)C)nc(N[C@H](C)CC)[nH+]1 ZINC000329043091 564071820 /nfs/dbraw/zinc/07/18/20/564071820.db2.gz SREKGPDXIOQQQG-OAHLLOKOSA-N 1 0 338.499 4.013 40 0 EIABRO CCc1cc(N2Cc3ccccc3C[C@H]2C)nc(NC2CCCC2)[nH+]1 ZINC000329067378 564072105 /nfs/dbraw/zinc/07/21/05/564072105.db2.gz YIJUYZQBDCVGDL-OAHLLOKOSA-N 1 0 336.483 4.345 40 0 EIABRO COc1cc(NCCCCCC[NH2+]C(C)C)c2ncccc2c1OC ZINC000001683236 564082330 /nfs/dbraw/zinc/08/23/30/564082330.db2.gz HXWHRZRMOJKAAC-UHFFFAOYSA-N 1 0 345.487 4.222 40 0 EIABRO Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(C)c1 ZINC000019132421 564127973 /nfs/dbraw/zinc/12/79/73/564127973.db2.gz IFBKTSMUHHSBHQ-DYESRHJHSA-N 1 0 349.478 4.093 40 0 EIABRO c1cnc2[nH]c([C@H]3CCCO3)c(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)c2c1 ZINC000019345187 564127975 /nfs/dbraw/zinc/12/79/75/564127975.db2.gz CGLBQXCRGUSAEM-TXPKVOOTSA-N 1 0 339.483 4.427 40 0 EIABRO CCCCOc1ccc(Cl)cc1-c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000256050390 564134747 /nfs/dbraw/zinc/13/47/47/564134747.db2.gz DVHJDESFFRFYRD-LBPRGKRZSA-N 1 0 335.835 4.036 40 0 EIABRO c1nc(Nc2cc(C[C@@H]3CC[NH2+]C3)ccn2)sc1-c1ccccc1 ZINC000143325771 564174141 /nfs/dbraw/zinc/17/41/41/564174141.db2.gz XBONBWPSZFGBJS-HNNXBMFYSA-N 1 0 336.464 4.101 40 0 EIABRO