smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH2+][C@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000050330253 214052929 /nfs/dbraw/zinc/05/29/29/214052929.db2.gz RUBKVUCULVKKET-LBPRGKRZSA-N 1 0 337.286 4.560 20 0 EJADRO Fc1ccc(C[NH2+]Cc2cc(Br)cs2)cc1Cl ZINC000053149315 214166754 /nfs/dbraw/zinc/16/67/54/214166754.db2.gz KBHOAQTXTPVRGO-UHFFFAOYSA-N 1 0 334.641 4.593 20 0 EJADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 ZINC000100323002 219096968 /nfs/dbraw/zinc/09/69/68/219096968.db2.gz MHNSOBBJZCWUGS-PMOLBWCYSA-N 1 0 343.417 4.696 20 0 EJADRO COc1ccccc1C[NH2+]Cc1ccc(OCc2cccc(C)c2)cc1 ZINC000040722660 213375720 /nfs/dbraw/zinc/37/57/20/213375720.db2.gz UDWWOCGKRJFAOQ-UHFFFAOYSA-N 1 0 347.458 4.872 20 0 EJADRO Fc1ccc(C[NH2+]Cc2ccccc2Cl)cc1Br ZINC000019908355 202025142 /nfs/dbraw/zinc/02/51/42/202025142.db2.gz SOHZQPFADWZTFS-UHFFFAOYSA-N 1 0 328.612 4.531 20 0 EJADRO CCCOc1ccc(C[NH2+]Cc2ccc(Br)s2)cc1 ZINC000037985138 202078735 /nfs/dbraw/zinc/07/87/35/202078735.db2.gz BJSADXZIYIYDRB-UHFFFAOYSA-N 1 0 340.286 4.589 20 0 EJADRO C[C@H](CCc1ccco1)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038002025 213186036 /nfs/dbraw/zinc/18/60/36/213186036.db2.gz ZDGRJZACFHIRAX-GHMZBOCLSA-N 1 0 328.275 4.776 20 0 EJADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(Br)s2)o1 ZINC000037985164 213182983 /nfs/dbraw/zinc/18/29/83/213182983.db2.gz SGJPWLWZEOHONY-SKDRFNHKSA-N 1 0 326.259 4.517 20 0 EJADRO CC[NH+](CC)Cc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000031589461 202207236 /nfs/dbraw/zinc/20/72/36/202207236.db2.gz TZEJIDKTRXTYLB-UHFFFAOYSA-N 1 0 340.511 4.683 20 0 EJADRO CCCOc1ccc(Br)cc1C[NH2+][C@H](C)CC(C)C ZINC000037255400 213137688 /nfs/dbraw/zinc/13/76/88/213137688.db2.gz SEIJLBRIEQIHAX-CYBMUJFWSA-N 1 0 328.294 4.762 20 0 EJADRO COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)cc1F ZINC000037329290 213140778 /nfs/dbraw/zinc/14/07/78/213140778.db2.gz ZJVMRRSWOLHLCM-SNVBAGLBSA-N 1 0 328.214 4.992 20 0 EJADRO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(F)cc1F ZINC000035010831 213004151 /nfs/dbraw/zinc/00/41/51/213004151.db2.gz LBLNIFAMLBIBNT-MRVPVSSYSA-N 1 0 332.213 4.640 20 0 EJADRO C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(F)c(F)c1 ZINC000035010099 213003133 /nfs/dbraw/zinc/00/31/33/213003133.db2.gz LHVHJLGGJDXWAT-QMMMGPOBSA-N 1 0 332.213 4.640 20 0 EJADRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(Br)s2)c1 ZINC000038003402 213187286 /nfs/dbraw/zinc/18/72/86/213187286.db2.gz FYWZCVAXOXMXSG-GHMZBOCLSA-N 1 0 340.286 4.931 20 0 EJADRO CCc1ccc(C[NH2+]Cc2cc(F)ccc2Br)s1 ZINC000038039404 213195792 /nfs/dbraw/zinc/19/57/92/213195792.db2.gz STQKHQGUFWAGIS-UHFFFAOYSA-N 1 0 328.250 4.502 20 0 EJADRO CCCOc1c(Cl)cc(C[NH2+]Cc2ccccc2)cc1OCC ZINC000020931778 212190161 /nfs/dbraw/zinc/19/01/61/212190161.db2.gz HRCTVVACNORFLR-UHFFFAOYSA-N 1 0 333.859 4.817 20 0 EJADRO FC(F)(F)c1cccc(C[NH2+]Cc2cccc(Br)c2)c1 ZINC000019906681 212081984 /nfs/dbraw/zinc/08/19/84/212081984.db2.gz ZFAMWCKROOBMFE-UHFFFAOYSA-N 1 0 344.174 4.758 20 0 EJADRO Fc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1Br ZINC000103980844 204092314 /nfs/dbraw/zinc/09/23/14/204092314.db2.gz LFCUNFQZMFQYMR-BBRMVZONSA-N 1 0 326.253 4.743 20 0 EJADRO CC(C)C[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010474877 211175814 /nfs/dbraw/zinc/17/58/14/211175814.db2.gz IBYOONMXSOZTEZ-UHFFFAOYSA-N 1 0 348.284 4.774 20 0 EJADRO CC[C@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1ccc(Cl)c(Cl)c1 ZINC000037321755 522701295 /nfs/dbraw/zinc/70/12/95/522701295.db2.gz RUNPNFLOKMXBIZ-QFYYESIMSA-N 1 0 326.271 4.837 20 0 EJADRO C[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1cccc(OC(F)F)c1 ZINC000067946148 525514075 /nfs/dbraw/zinc/51/40/75/525514075.db2.gz ULBGCAVYWQFSJD-SECBINFHSA-N 1 0 331.284 4.556 20 0 EJADRO OCCCCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000013727167 563718772 /nfs/dbraw/zinc/71/87/72/563718772.db2.gz YNMLVIIKGOKHNS-UHFFFAOYSA-N 1 0 328.239 4.506 20 0 EJADRO COc1ccc(Br)cc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000013725567 564020633 /nfs/dbraw/zinc/02/06/33/564020633.db2.gz KYDQBFXKPBTMCD-AWEZNQCLSA-N 1 0 348.284 4.569 20 0 EJADRO CC[NH+](CC)C1CCN(c2nc(Cl)ccc2-c2ccccc2)CC1 ZINC001165054328 722002581 /nfs/dbraw/zinc/00/25/81/722002581.db2.gz XXANPNASJRDGKY-UHFFFAOYSA-N 1 0 343.902 4.713 20 0 EJADRO CCC1(CC)CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000103984137 219336272 /nfs/dbraw/zinc/33/62/72/219336272.db2.gz GMDPZEHJNAWFBK-UHFFFAOYSA-N 1 0 328.269 4.990 20 0 EJADRO Fc1ccc(C[N@@H+]2CCC[C@H]2C2CCCC2)cc1Br ZINC000103980878 219335214 /nfs/dbraw/zinc/33/52/14/219335214.db2.gz YEUIGQNMTVXXTL-INIZCTEOSA-N 1 0 326.253 4.743 20 0 EJADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)s2)cc1F ZINC000035016839 213005792 /nfs/dbraw/zinc/00/57/92/213005792.db2.gz IGZNIHSEOMRMOL-SECBINFHSA-N 1 0 344.249 4.509 20 0 EJADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000032906733 212867400 /nfs/dbraw/zinc/86/74/00/212867400.db2.gz XZJTZGSDLROZNL-VBKZILBWSA-N 1 0 325.839 4.877 20 0 EJADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(Br)s2)o1 ZINC000037985166 202382045 /nfs/dbraw/zinc/38/20/45/202382045.db2.gz SGJPWLWZEOHONY-BXKDBHETSA-N 1 0 326.259 4.517 20 0 EJADRO CC[C@H]([NH2+]Cc1cc(F)ccc1Br)c1cccs1 ZINC000038039042 202389436 /nfs/dbraw/zinc/38/94/36/202389436.db2.gz IAZSAMKRSNEHOO-ZDUSSCGKSA-N 1 0 328.250 4.891 20 0 EJADRO CC[C@@H]([NH2+]Cc1ccc(OC)cc1)c1ccc(Br)cc1 ZINC000019909196 212082582 /nfs/dbraw/zinc/08/25/82/212082582.db2.gz MJGVNVSDJQVEJJ-QGZVFWFLSA-N 1 0 334.257 4.699 20 0 EJADRO CC[C@H]([NH2+]Cc1ccc(F)cc1Br)c1cccs1 ZINC000049530759 214015419 /nfs/dbraw/zinc/01/54/19/214015419.db2.gz CJCLBGHBTHVFTB-ZDUSSCGKSA-N 1 0 328.250 4.891 20 0 EJADRO CCC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010474782 211176021 /nfs/dbraw/zinc/17/60/21/211176021.db2.gz IRQYPFHUUUBKRQ-UHFFFAOYSA-N 1 0 334.257 4.528 20 0 EJADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000120694932 519748893 /nfs/dbraw/zinc/74/88/93/519748893.db2.gz QMEHJQUJNCTYGS-QWHCGFSZSA-N 1 0 348.393 4.658 20 0 EJADRO CC(C)c1oc([C@@H]2CCC[N@@H+]2C[C@@H]2CCOC2)nc1-c1ccccc1 ZINC000363363801 519912130 /nfs/dbraw/zinc/91/21/30/519912130.db2.gz FKVCQKPFSCLDLE-WMZOPIPTSA-N 1 0 340.467 4.638 20 0 EJADRO COCc1ccccc1C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038003382 523104805 /nfs/dbraw/zinc/10/48/05/523104805.db2.gz LDAQDLCLROTZCY-LLVKDONJSA-N 1 0 340.286 4.508 20 0 EJADRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(CSC(F)F)o2)c1 ZINC000298709191 524091182 /nfs/dbraw/zinc/09/11/82/524091182.db2.gz UHXLLNQBQHUXPY-LLVKDONJSA-N 1 0 327.396 4.595 20 0 EJADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(CSC(F)F)o2)cc1 ZINC000299452752 525156077 /nfs/dbraw/zinc/15/60/77/525156077.db2.gz ZTYUNKHMLOODGS-LLVKDONJSA-N 1 0 327.396 4.595 20 0 EJADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(CSC(F)F)o2)cc1 ZINC000299452753 525322824 /nfs/dbraw/zinc/32/28/24/525322824.db2.gz ZTYUNKHMLOODGS-NSHDSACASA-N 1 0 327.396 4.595 20 0 EJADRO C[C@@H]([NH2+][C@@H](C)CCCO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000119625385 525593950 /nfs/dbraw/zinc/59/39/50/525593950.db2.gz AYKWMWRCZFTVMK-VHSXEESVSA-N 1 0 343.311 4.536 20 0 EJADRO CC[NH+](CC)C1CCN(c2cc(Cl)nc3ccc(C)cc32)CC1 ZINC001165052658 722001995 /nfs/dbraw/zinc/00/19/95/722001995.db2.gz BRLMGPCFBYECPP-UHFFFAOYSA-N 1 0 331.891 4.507 20 0 EJADRO CC[NH+](CC)C1CCN(c2cc(C)c3cccc(Cl)c3n2)CC1 ZINC001165053292 722004572 /nfs/dbraw/zinc/00/45/72/722004572.db2.gz LFPUJSGMYFRYAD-UHFFFAOYSA-N 1 0 331.891 4.507 20 0 EJADRO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000053644362 214192891 /nfs/dbraw/zinc/19/28/91/214192891.db2.gz LNTFAVWNBYMVHY-FQEVSTJZSA-N 1 0 342.458 4.758 20 0 EJADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC1c3ccccc3CCc3ccccc31)C2 ZINC000100079325 219090615 /nfs/dbraw/zinc/09/06/15/219090615.db2.gz ZWPODSUQWXAZNC-PMOLBWCYSA-N 1 0 333.475 4.516 20 0 in-man EJADRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000101061078 219114996 /nfs/dbraw/zinc/11/49/96/219114996.db2.gz NIYGPRSVPKAIKA-PLACYPQZSA-N 1 0 340.898 4.644 20 0 EJADRO CCC1CCC([NH2+]Cc2cc(Br)ccc2OC)CC1 ZINC000103992172 219337411 /nfs/dbraw/zinc/33/74/11/219337411.db2.gz QEILMICAAPAIQM-UHFFFAOYSA-N 1 0 326.278 4.516 20 0 EJADRO COc1ccc(Br)cc1C[NH2+][C@@H](C)C1CCCCC1 ZINC000103974924 219335595 /nfs/dbraw/zinc/33/55/95/219335595.db2.gz CSDDLQVEBGHNQU-LBPRGKRZSA-N 1 0 326.278 4.516 20 0 EJADRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2sccc2Br)c1 ZINC000037771501 202034954 /nfs/dbraw/zinc/03/49/54/202034954.db2.gz GEHDHEJUUKBIIT-QWRGUYRKSA-N 1 0 340.286 4.931 20 0 EJADRO CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000022199356 202080921 /nfs/dbraw/zinc/08/09/21/202080921.db2.gz OQISKPPUSQKGQO-OAHLLOKOSA-N 1 0 346.521 4.636 20 0 EJADRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038001854 213186278 /nfs/dbraw/zinc/18/62/78/213186278.db2.gz VLJUGJZTZJLCGY-QWRGUYRKSA-N 1 0 340.286 4.931 20 0 EJADRO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000037090026 213132798 /nfs/dbraw/zinc/13/27/98/213132798.db2.gz MNNIFKLAJJOPIP-SECBINFHSA-N 1 0 344.249 4.509 20 0 EJADRO FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000035257539 213015200 /nfs/dbraw/zinc/01/52/00/213015200.db2.gz CBZCPIGDERCWLK-AAEUAGOBSA-N 1 0 336.195 4.660 20 0 EJADRO Cc1nc(C)c(CC[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)s1 ZINC000414125440 370697566 /nfs/dbraw/zinc/69/75/66/370697566.db2.gz QFTTVVLFONWMJI-LBPRGKRZSA-N 1 0 343.521 4.777 20 0 EJADRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2Br)s1 ZINC000038038909 213195364 /nfs/dbraw/zinc/19/53/64/213195364.db2.gz QJYXRHDCYFTJLI-SNVBAGLBSA-N 1 0 328.250 4.809 20 0 EJADRO Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)c(C[NH+](C)C)c1 ZINC000078704170 217106047 /nfs/dbraw/zinc/10/60/47/217106047.db2.gz ZRDZRJDXFZGZKP-UHFFFAOYSA-N 1 0 337.250 4.616 20 0 EJADRO COCc1ccccc1C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038003381 523104739 /nfs/dbraw/zinc/10/47/39/523104739.db2.gz LDAQDLCLROTZCY-NSHDSACASA-N 1 0 340.286 4.508 20 0 EJADRO C[C@@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)c1cccs1 ZINC000037235398 525647530 /nfs/dbraw/zinc/64/75/30/525647530.db2.gz QTULPWHTDHXJTH-ZWNOBZJWSA-N 1 0 338.270 4.685 20 0 EJADRO CC[NH+](CC)C1CCN(c2cc(-c3ccccc3)cc(Cl)n2)CC1 ZINC001165052966 722002673 /nfs/dbraw/zinc/00/26/73/722002673.db2.gz GWGKGSWQSGOBJE-UHFFFAOYSA-N 1 0 343.902 4.713 20 0 EJADRO Fc1cccc(Cl)c1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000004315275 210167408 /nfs/dbraw/zinc/16/74/08/210167408.db2.gz DZQSYQUTGDQOKP-UHFFFAOYSA-N 1 0 343.833 4.735 20 0 EJADRO Cc1ccc(NC(=O)[C@@H]([NH2+]C2CCCC2)c2ccccc2)cc1Cl ZINC000003328062 210007881 /nfs/dbraw/zinc/00/78/81/210007881.db2.gz JYBWWPZSBZAWOW-IBGZPJMESA-N 1 0 342.870 4.860 20 0 EJADRO COc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OC(C)C ZINC000040729559 213377943 /nfs/dbraw/zinc/37/79/43/213377943.db2.gz LQOQMROTLXADIV-QGZVFWFLSA-N 1 0 327.468 4.593 20 0 EJADRO C[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc2c(c1)CCC2 ZINC000038039050 213195322 /nfs/dbraw/zinc/19/53/22/213195322.db2.gz BVFRYOGGWZTSKV-GFCCVEGCSA-N 1 0 348.259 4.928 20 0 EJADRO C[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1cccc(Br)c1 ZINC000038012610 213188699 /nfs/dbraw/zinc/18/86/99/213188699.db2.gz WKYOSNANZCIAIS-CYBMUJFWSA-N 1 0 341.252 4.848 20 0 EJADRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2Br)C1 ZINC000035257588 213015411 /nfs/dbraw/zinc/01/54/11/213015411.db2.gz URQTVTBRYDQYLS-VXGBXAGGSA-N 1 0 336.195 4.660 20 0 EJADRO C[C@H]([NH2+]Cc1ccc(Br)cc1)c1ccc(F)c(F)c1 ZINC000034992832 213003877 /nfs/dbraw/zinc/00/38/77/213003877.db2.gz BCNXULWEECDIND-JTQLQIEISA-N 1 0 326.184 4.578 20 0 EJADRO C[C@H]([NH2+]Cc1cc(Br)cs1)c1ccc(F)c(F)c1 ZINC000035010084 213003065 /nfs/dbraw/zinc/00/30/65/213003065.db2.gz WDJQSKAACGPTNN-QMMMGPOBSA-N 1 0 332.213 4.640 20 0 EJADRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2ccc(Br)cc2)n1 ZINC000072184632 216067365 /nfs/dbraw/zinc/06/73/65/216067365.db2.gz OYCFFSNGWRIMBX-WBMJQRKESA-N 1 0 349.272 4.772 20 0 EJADRO OC1(c2ccc(Cl)cc2)CC[NH+](Cc2coc3ccccc23)CC1 ZINC000028878481 212642012 /nfs/dbraw/zinc/64/20/12/212642012.db2.gz DECRCHYWYMULIA-UHFFFAOYSA-N 1 0 341.838 4.570 20 0 EJADRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2sccc2Br)c1 ZINC000037771504 213166086 /nfs/dbraw/zinc/16/60/86/213166086.db2.gz GEHDHEJUUKBIIT-GHMZBOCLSA-N 1 0 340.286 4.931 20 0 EJADRO C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1ccc(Br)s1 ZINC000038002153 201082057 /nfs/dbraw/zinc/08/20/57/201082057.db2.gz NOQUUICXGXALBV-MWLCHTKSSA-N 1 0 326.259 4.832 20 0 EJADRO C[C@@H](c1ccccc1)[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000090549209 201371593 /nfs/dbraw/zinc/37/15/93/201371593.db2.gz YWMUEQLXCPKKRF-KBXCAEBGSA-N 1 0 346.268 4.584 20 0 EJADRO C[C@@H]([NH2+]CCc1cccc(Cl)c1Cl)c1cn2ccccc2n1 ZINC000556264576 370701897 /nfs/dbraw/zinc/70/18/97/370701897.db2.gz PYPGWECXZJRPMG-GFCCVEGCSA-N 1 0 334.250 4.534 20 0 EJADRO FC(F)(F)c1cccc(C[NH2+]Cc2ccccc2Br)c1 ZINC000019906759 212082055 /nfs/dbraw/zinc/08/20/55/212082055.db2.gz IFHZTBYWBDYYAK-UHFFFAOYSA-N 1 0 344.174 4.758 20 0 EJADRO FC(F)(F)c1ccccc1C[NH2+]Cc1ccc(Br)cc1 ZINC000042352236 204090564 /nfs/dbraw/zinc/09/05/64/204090564.db2.gz SCASQYMKINNQKO-UHFFFAOYSA-N 1 0 344.174 4.758 20 0 EJADRO COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)cc(Cl)c1OC ZINC000078940995 217153540 /nfs/dbraw/zinc/15/35/40/217153540.db2.gz JQKNZSBIVGWRSQ-NSHDSACASA-N 1 0 340.250 4.861 20 0 EJADRO C[C@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)c1cccs1 ZINC000037235400 525626814 /nfs/dbraw/zinc/62/68/14/525626814.db2.gz QTULPWHTDHXJTH-GWCFXTLKSA-N 1 0 338.270 4.685 20 0 EJADRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)o1 ZINC000067666907 525927364 /nfs/dbraw/zinc/92/73/64/525927364.db2.gz DDLZOKZIPDYFOC-ZDUSSCGKSA-N 1 0 349.356 4.643 20 0 EJADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000032906732 563792950 /nfs/dbraw/zinc/79/29/50/563792950.db2.gz XZJTZGSDLROZNL-JLTOFOAXSA-N 1 0 325.839 4.877 20 0 EJADRO COc1ccccc1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000013720245 564020637 /nfs/dbraw/zinc/02/06/37/564020637.db2.gz WQZPLBYDGHNVJO-UHFFFAOYSA-N 1 0 333.431 4.564 20 0 EJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC(F)C3)CC2)nc1 ZINC001164416160 718884337 /nfs/dbraw/zinc/88/43/37/718884337.db2.gz SRQIZAKAVSPQAJ-LJQANCHMSA-N 1 0 345.506 4.737 20 0 EJADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000069057731 215357436 /nfs/dbraw/zinc/35/74/36/215357436.db2.gz RMPJPZHMGXQASJ-SFHVURJKSA-N 1 0 345.874 4.545 20 0 EJADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000069057733 215357609 /nfs/dbraw/zinc/35/76/09/215357609.db2.gz RMPJPZHMGXQASJ-GOSISDBHSA-N 1 0 345.874 4.545 20 0 EJADRO COc1cccc([C@H](C)[NH2+][C@H](C)c2sccc2Br)c1 ZINC000037771503 202035243 /nfs/dbraw/zinc/03/52/43/202035243.db2.gz GEHDHEJUUKBIIT-WDEREUQCSA-N 1 0 340.286 4.931 20 0 EJADRO CCCOc1c(Cl)cc(C[NH2+]Cc2cccs2)cc1OCC ZINC000020931900 202058451 /nfs/dbraw/zinc/05/84/51/202058451.db2.gz AGGSQATVFAHAHV-UHFFFAOYSA-N 1 0 339.888 4.879 20 0 EJADRO Clc1c2ccccc2sc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000020999416 202061132 /nfs/dbraw/zinc/06/11/32/202061132.db2.gz GYAXXKAXHAOZQQ-CQSZACIVSA-N 1 0 334.916 4.615 20 0 EJADRO CC[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(F)cc1 ZINC000038018514 213190258 /nfs/dbraw/zinc/19/02/58/213190258.db2.gz ATSZHIIYVBDFBG-CYBMUJFWSA-N 1 0 328.250 4.891 20 0 EJADRO CC[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(F)cc1 ZINC000038018513 213189748 /nfs/dbraw/zinc/18/97/48/213189748.db2.gz ATSZHIIYVBDFBG-ZDUSSCGKSA-N 1 0 328.250 4.891 20 0 EJADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)s2)c(F)c1 ZINC000038018363 213189922 /nfs/dbraw/zinc/18/99/22/213189922.db2.gz IDAUFMXRZNHINB-SECBINFHSA-N 1 0 344.249 4.509 20 0 EJADRO C[C@H]([NH2+]Cc1ccc2ccccc2n1)c1cccc(Br)c1 ZINC000038012609 213188489 /nfs/dbraw/zinc/18/84/89/213188489.db2.gz WKYOSNANZCIAIS-ZDUSSCGKSA-N 1 0 341.252 4.848 20 0 EJADRO CC(C)Oc1ccccc1C[NH2+]Cc1ccc(Br)s1 ZINC000037985139 213183072 /nfs/dbraw/zinc/18/30/72/213183072.db2.gz BZAAHDSRDHYUPB-UHFFFAOYSA-N 1 0 340.286 4.588 20 0 EJADRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(Br)s1 ZINC000035015256 213004813 /nfs/dbraw/zinc/00/48/13/213004813.db2.gz AONKICKCBWECNP-LLVKDONJSA-N 1 0 340.286 4.678 20 0 EJADRO Brc1ccc(C[NH2+][C@@H]2CCSc3ccccc32)s1 ZINC000034996573 213003105 /nfs/dbraw/zinc/00/31/05/213003105.db2.gz CZKHRSPFWNWAJM-GFCCVEGCSA-N 1 0 340.311 4.837 20 0 EJADRO C[C@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2ccc(Br)cc2)n1 ZINC000072184635 216066842 /nfs/dbraw/zinc/06/68/42/216066842.db2.gz OYCFFSNGWRIMBX-BLLLJJGKSA-N 1 0 349.272 4.772 20 0 EJADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(Br)s2)o1 ZINC000037985167 202382914 /nfs/dbraw/zinc/38/29/14/202382914.db2.gz SGJPWLWZEOHONY-JOYOIKCWSA-N 1 0 326.259 4.517 20 0 EJADRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(Br)s2)c1 ZINC000038003399 213187344 /nfs/dbraw/zinc/18/73/44/213187344.db2.gz FYWZCVAXOXMXSG-QWRGUYRKSA-N 1 0 340.286 4.931 20 0 EJADRO C[C@H]([NH2+]CCc1cccc(Cl)c1Cl)c1cn2ccccc2n1 ZINC000556264577 370702702 /nfs/dbraw/zinc/70/27/02/370702702.db2.gz PYPGWECXZJRPMG-LBPRGKRZSA-N 1 0 334.250 4.534 20 0 EJADRO CCCCC[NH2+]Cc1cc(Br)c(OCCC)c(OC)c1 ZINC000020932831 212189349 /nfs/dbraw/zinc/18/93/49/212189349.db2.gz YWJQMOJRHXKVDI-UHFFFAOYSA-N 1 0 344.293 4.526 20 0 EJADRO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1Cl ZINC000020928176 212187708 /nfs/dbraw/zinc/18/77/08/212187708.db2.gz FCEYDPJGRWMJGL-UHFFFAOYSA-N 1 0 344.669 4.988 20 0 EJADRO COc1ccc(C[NH2+]Cc2ccc(OCc3ccc(C)cc3)cc2)cc1 ZINC000020873788 212180551 /nfs/dbraw/zinc/18/05/51/212180551.db2.gz PGYQLHCMMCWSDB-UHFFFAOYSA-N 1 0 347.458 4.872 20 0 EJADRO C[C@@H](NCc1cc(F)ccc1F)c1sccc1Br ZINC000104260827 204103549 /nfs/dbraw/zinc/10/35/49/204103549.db2.gz SMAVXMDPSKNZMM-MRVPVSSYSA-N 1 0 332.213 4.640 20 0 EJADRO CC(C)[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010436454 211172595 /nfs/dbraw/zinc/17/25/95/211172595.db2.gz KKKPOZJGQRGGLY-UHFFFAOYSA-N 1 0 334.257 4.526 20 0 EJADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000120694828 519747669 /nfs/dbraw/zinc/74/76/69/519747669.db2.gz QMEHJQUJNCTYGS-OLZOCXBDSA-N 1 0 348.393 4.658 20 0 EJADRO CC[C@H]([NH2+][C@H](C)c1cnn(C)c1C)c1ccc(Cl)c(Cl)c1 ZINC000037321757 522741386 /nfs/dbraw/zinc/74/13/86/522741386.db2.gz RUNPNFLOKMXBIZ-HWPZZCPQSA-N 1 0 326.271 4.837 20 0 EJADRO CC[C@@H]([NH2+]Cc1cccc(COC)c1)c1ccc(Br)cc1 ZINC000038010480 522881276 /nfs/dbraw/zinc/88/12/76/522881276.db2.gz IVZUCEPNFIIXAK-GOSISDBHSA-N 1 0 348.284 4.836 20 0 EJADRO COc1ccccc1CC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000013719299 563716039 /nfs/dbraw/zinc/71/60/39/563716039.db2.gz QQYDWHGSGHGRBU-UHFFFAOYSA-N 1 0 341.838 4.941 20 0 EJADRO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000013724657 563718036 /nfs/dbraw/zinc/71/80/36/563718036.db2.gz WFICGAPDJVDIAX-UHFFFAOYSA-N 1 0 331.431 4.692 20 0 EJADRO CC[NH+](CC)C1CCN(c2ccc3ccc(Cl)c(C)c3n2)CC1 ZINC001165052844 722004570 /nfs/dbraw/zinc/00/45/70/722004570.db2.gz DBEVSYCKMJUCAM-UHFFFAOYSA-N 1 0 331.891 4.507 20 0 EJADRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccccc2Br)c1 ZINC000037507899 202003491 /nfs/dbraw/zinc/00/34/91/202003491.db2.gz QKWSWYVTWIOJMW-QWHCGFSZSA-N 1 0 334.257 4.870 20 0 EJADRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2Br)C1 ZINC000035257589 213016009 /nfs/dbraw/zinc/01/60/09/213016009.db2.gz URQTVTBRYDQYLS-NEPJUHHUSA-N 1 0 336.195 4.660 20 0 EJADRO Brc1ccc(C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000034992419 213004224 /nfs/dbraw/zinc/00/42/24/213004224.db2.gz IEUKLGKMDYLVGI-OAHLLOKOSA-N 1 0 334.282 4.776 20 0 EJADRO CC[C@@H]([NH2+]Cc1cc(Br)cs1)c1ccc(OC)cc1 ZINC000035012939 213003551 /nfs/dbraw/zinc/00/35/51/213003551.db2.gz VPMCBVGTUFZWPP-OAHLLOKOSA-N 1 0 340.286 4.760 20 0 EJADRO Brc1ccc(C[NH2+][C@H]2CCSc3ccccc32)s1 ZINC000034996574 213003055 /nfs/dbraw/zinc/00/30/55/213003055.db2.gz CZKHRSPFWNWAJM-LBPRGKRZSA-N 1 0 340.311 4.837 20 0 EJADRO CCCOc1ccc(Br)cc1C[NH2+][C@@H](C)CC(C)C ZINC000037255398 213136377 /nfs/dbraw/zinc/13/63/77/213136377.db2.gz SEIJLBRIEQIHAX-ZDUSSCGKSA-N 1 0 328.294 4.762 20 0 EJADRO C[C@H]([NH2+][C@@H]1CCCc2occc21)c1ccc(Br)s1 ZINC000038002152 201082950 /nfs/dbraw/zinc/08/29/50/201082950.db2.gz NOQUUICXGXALBV-GXSJLCMTSA-N 1 0 326.259 4.832 20 0 EJADRO Brc1ccc(C[NH2+][C@H]2CCCc3sccc32)s1 ZINC000061328551 201146798 /nfs/dbraw/zinc/14/67/98/201146798.db2.gz UWMQKWYFCRVOLP-NSHDSACASA-N 1 0 328.300 4.739 20 0 EJADRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(Br)s2)c1 ZINC000038003401 213187147 /nfs/dbraw/zinc/18/71/47/213187147.db2.gz FYWZCVAXOXMXSG-WDEREUQCSA-N 1 0 340.286 4.931 20 0 EJADRO C[C@@H]([NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)c1cn2ccccc2n1 ZINC000579732256 370705875 /nfs/dbraw/zinc/70/58/75/370705875.db2.gz SSFIYUBTMAEWAU-ZBFHGGJFSA-N 1 0 347.384 4.721 20 0 EJADRO C[C@H]([NH2+]CCCCc1ccc(Cl)s1)c1cn2ccccc2n1 ZINC000550934193 370699951 /nfs/dbraw/zinc/69/99/51/370699951.db2.gz YCALEGJOXUTDQR-ZDUSSCGKSA-N 1 0 333.888 4.723 20 0 EJADRO O=C(CC[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccccc1Cl ZINC000022194340 212281419 /nfs/dbraw/zinc/28/14/19/212281419.db2.gz ZRJFUIMSMFJJMR-HNNXBMFYSA-N 1 0 334.872 4.567 20 0 EJADRO Clc1c2ccccc2sc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000020999417 212198399 /nfs/dbraw/zinc/19/83/99/212198399.db2.gz GYAXXKAXHAOZQQ-AWEZNQCLSA-N 1 0 334.916 4.615 20 0 EJADRO CCCOc1c(Br)cc(C[NH2+][C@@H](C)CC)cc1OCC ZINC000020932403 212190517 /nfs/dbraw/zinc/19/05/17/212190517.db2.gz RTEGVPRFAIXNRN-LBPRGKRZSA-N 1 0 344.293 4.525 20 0 EJADRO CCCOc1ccc(Br)cc1C[NH2+]Cc1ccc(C)cc1 ZINC000020929400 212190062 /nfs/dbraw/zinc/19/00/62/212190062.db2.gz VAAHRFJNGWYOEB-UHFFFAOYSA-N 1 0 348.284 4.836 20 0 EJADRO COc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1Br ZINC000020927824 212187836 /nfs/dbraw/zinc/18/78/36/212187836.db2.gz JOEFWKUMPWSYSM-AWEZNQCLSA-N 1 0 348.284 4.569 20 0 EJADRO CC[N@H+](Cc1cc(Br)ccc1OC)C1CCCCC1 ZINC000070138711 203074719 /nfs/dbraw/zinc/07/47/19/203074719.db2.gz PAPDSWAYVXJUMU-UHFFFAOYSA-N 1 0 326.278 4.612 20 0 EJADRO C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccc(F)cc1 ZINC000020095795 212100086 /nfs/dbraw/zinc/10/00/86/212100086.db2.gz OROKHGYUSFTQHP-SNVBAGLBSA-N 1 0 326.184 4.578 20 0 EJADRO Cc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C(C)C ZINC000097476108 219028098 /nfs/dbraw/zinc/02/80/98/219028098.db2.gz QDMWKYHBKORJII-NRFANRHFSA-N 1 0 336.479 4.894 20 0 EJADRO CC(C)c1oc([C@@H]2CCC[N@@H+]2C[C@H]2CCOC2)nc1-c1ccccc1 ZINC000363363798 519912114 /nfs/dbraw/zinc/91/21/14/519912114.db2.gz FKVCQKPFSCLDLE-AEFFLSMTSA-N 1 0 340.467 4.638 20 0 EJADRO Cc1nc(C)c([C@H](C)[NH2+]Cc2cc(Br)ccc2F)s1 ZINC000040445875 526753676 /nfs/dbraw/zinc/75/36/76/526753676.db2.gz URJHVZOMCKLDMY-QMMMGPOBSA-N 1 0 343.265 4.512 20 0 EJADRO CCOc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1OCC ZINC000013726026 563718376 /nfs/dbraw/zinc/71/83/76/563718376.db2.gz RYYQKYOWQZSVAN-QGZVFWFLSA-N 1 0 327.468 4.595 20 0 EJADRO C[NH+](C)CC1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1 ZINC001165044622 721948597 /nfs/dbraw/zinc/94/85/97/721948597.db2.gz HDHWXCZDICPWBZ-UHFFFAOYSA-N 1 0 345.490 4.680 20 0 EJADRO CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000050330252 214053277 /nfs/dbraw/zinc/05/32/77/214053277.db2.gz RUBKVUCULVKKET-GFCCVEGCSA-N 1 0 337.286 4.560 20 0 EJADRO Cc1cccc(C)c1NC(=O)C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000053644363 214192902 /nfs/dbraw/zinc/19/29/02/214192902.db2.gz LNTFAVWNBYMVHY-HXUWFJFHSA-N 1 0 342.458 4.758 20 0 EJADRO Cc1ccc(NC(=O)[C@H]([NH2+]C2CCCC2)c2ccccc2)cc1Cl ZINC000003328061 210008307 /nfs/dbraw/zinc/00/83/07/210008307.db2.gz JYBWWPZSBZAWOW-LJQANCHMSA-N 1 0 342.870 4.860 20 0 EJADRO COc1ccccc1C[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000040729711 213377659 /nfs/dbraw/zinc/37/76/59/213377659.db2.gz HNUTYUBHPWFUSA-UHFFFAOYSA-N 1 0 335.447 4.925 20 0 EJADRO CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000022199360 202080730 /nfs/dbraw/zinc/08/07/30/202080730.db2.gz OQISKPPUSQKGQO-HNNXBMFYSA-N 1 0 346.521 4.636 20 0 EJADRO C[C@H]([NH2+]Cc1cccc(Br)c1)c1ccc(F)c(F)c1 ZINC000034992838 213003807 /nfs/dbraw/zinc/00/38/07/213003807.db2.gz YXXDKWBBJUOFON-JTQLQIEISA-N 1 0 326.184 4.578 20 0 EJADRO Brc1cccc(C[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000034992426 213003196 /nfs/dbraw/zinc/00/31/96/213003196.db2.gz NQKFNXSDSMFEQK-HNNXBMFYSA-N 1 0 334.282 4.776 20 0 EJADRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2ccc(Br)cc2)n1 ZINC000072184633 216067010 /nfs/dbraw/zinc/06/70/10/216067010.db2.gz OYCFFSNGWRIMBX-LRDDRELGSA-N 1 0 349.272 4.772 20 0 EJADRO Cc1nc(C)c(CC[NH2+][C@H](C)c2csc(-c3ccccc3)n2)s1 ZINC000414125439 370698409 /nfs/dbraw/zinc/69/84/09/370698409.db2.gz QFTTVVLFONWMJI-GFCCVEGCSA-N 1 0 343.521 4.777 20 0 EJADRO C[C@@H]([NH2+]CC[C@H](c1ccccc1)C(F)(F)F)c1cn2ccccc2n1 ZINC000579732251 370707547 /nfs/dbraw/zinc/70/75/47/370707547.db2.gz SSFIYUBTMAEWAU-GDBMZVCRSA-N 1 0 347.384 4.721 20 0 EJADRO CCCOc1c(Br)cc(C[NH2+][C@H](C)CC)cc1OCC ZINC000020932408 212190010 /nfs/dbraw/zinc/19/00/10/212190010.db2.gz RTEGVPRFAIXNRN-GFCCVEGCSA-N 1 0 344.293 4.525 20 0 EJADRO Cc1ccc(COc2ccc(C[NH2+]CCc3ccccc3)cc2)cc1 ZINC000020873714 212179417 /nfs/dbraw/zinc/17/94/17/212179417.db2.gz AEPXDOOWOQNJCV-UHFFFAOYSA-N 1 0 331.459 4.906 20 0 EJADRO C[C@@H]([NH2+]Cc1coc(-c2ccc(Br)cc2)n1)C(C)(C)C ZINC000072181267 203182885 /nfs/dbraw/zinc/18/28/85/203182885.db2.gz LBCBRSZRFDNJRW-LLVKDONJSA-N 1 0 337.261 4.628 20 0 EJADRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000097393682 219022044 /nfs/dbraw/zinc/02/20/44/219022044.db2.gz XBIIXGYVHLEZQO-RYUDHWBXSA-N 1 0 337.822 4.908 20 0 EJADRO Cc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C(C)C ZINC000097476109 219028746 /nfs/dbraw/zinc/02/87/46/219028746.db2.gz QDMWKYHBKORJII-OAQYLSRUSA-N 1 0 336.479 4.894 20 0 EJADRO COc1cccc([C@H](C)[NH2+]Cc2ccc(CSC(F)F)o2)c1 ZINC000298709193 524153295 /nfs/dbraw/zinc/15/32/95/524153295.db2.gz UHXLLNQBQHUXPY-NSHDSACASA-N 1 0 327.396 4.595 20 0 EJADRO Cc1cc(C[NH2+]Cc2ccsc2)cc(C)c1OCc1ccccn1 ZINC000067670277 524762149 /nfs/dbraw/zinc/76/21/49/524762149.db2.gz FYVGLEFWNQBGOT-UHFFFAOYSA-N 1 0 338.476 4.629 20 0 EJADRO C[C@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)c1cccs1 ZINC000037235396 525578176 /nfs/dbraw/zinc/57/81/76/525578176.db2.gz QTULPWHTDHXJTH-GXFFZTMASA-N 1 0 338.270 4.685 20 0 EJADRO C[C@@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)c1cccs1 ZINC000037235402 525687926 /nfs/dbraw/zinc/68/79/26/525687926.db2.gz QTULPWHTDHXJTH-MFKMUULPSA-N 1 0 338.270 4.685 20 0 EJADRO COc1ccccc1C[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000013720712 563716437 /nfs/dbraw/zinc/71/64/37/563716437.db2.gz SHGZYACJNYIEOQ-UHFFFAOYSA-N 1 0 347.458 4.872 20 0 EJADRO Clc1cccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000004315283 210167106 /nfs/dbraw/zinc/16/71/06/210167106.db2.gz ZIWVJVGRWGIGLR-UHFFFAOYSA-N 1 0 325.843 4.596 20 0 EJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000066411091 215039433 /nfs/dbraw/zinc/03/94/33/215039433.db2.gz MMQNGFYBCXZTIX-GHMZBOCLSA-N 1 0 340.254 4.521 20 0 EJADRO CCC1CCC([N@H+](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000103991055 219335983 /nfs/dbraw/zinc/33/59/83/219335983.db2.gz PYGSOINEGVOWOY-UHFFFAOYSA-N 1 0 328.269 4.989 20 0 EJADRO Brc1ccc(C[NH2+][C@@H]2CSCc3ccccc32)s1 ZINC000038018321 213190690 /nfs/dbraw/zinc/19/06/90/213190690.db2.gz OMTQBERYPQAQRR-CYBMUJFWSA-N 1 0 340.311 4.588 20 0 EJADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2)cc1Br ZINC000037770277 213165505 /nfs/dbraw/zinc/16/55/05/213165505.db2.gz YZLJCVCDMLRZAH-ZDUSSCGKSA-N 1 0 334.257 4.617 20 0 EJADRO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2Br)C1 ZINC000035257586 213015286 /nfs/dbraw/zinc/01/52/86/213015286.db2.gz URQTVTBRYDQYLS-NWDGAFQWSA-N 1 0 336.195 4.660 20 0 EJADRO CC[C@H]([NH2+]Cc1cc(Br)cs1)c1ccc(OC)cc1 ZINC000035012938 213004146 /nfs/dbraw/zinc/00/41/46/213004146.db2.gz VPMCBVGTUFZWPP-HNNXBMFYSA-N 1 0 340.286 4.760 20 0 EJADRO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1ccc(Br)s1 ZINC000038003239 202385744 /nfs/dbraw/zinc/38/57/44/202385744.db2.gz SBHMNUPTWKLVFJ-VHSXEESVSA-N 1 0 326.259 4.628 20 0 EJADRO C[C@H](NCc1cc(F)ccc1F)c1sccc1Br ZINC000104260823 204103771 /nfs/dbraw/zinc/10/37/71/204103771.db2.gz SMAVXMDPSKNZMM-QMMMGPOBSA-N 1 0 332.213 4.640 20 0 EJADRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000097393685 219022181 /nfs/dbraw/zinc/02/21/81/219022181.db2.gz XBIIXGYVHLEZQO-VXGBXAGGSA-N 1 0 337.822 4.908 20 0 EJADRO CC(C)OCCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000253376160 564053627 /nfs/dbraw/zinc/05/36/27/564053627.db2.gz SFGWVRFMULZAAO-UHFFFAOYSA-N 1 0 336.479 4.594 20 0 EJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC(F)C3)CC2)nc1 ZINC001164416155 718884395 /nfs/dbraw/zinc/88/43/95/718884395.db2.gz SRQIZAKAVSPQAJ-IBGZPJMESA-N 1 0 345.506 4.737 20 0 EJADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)s1 ZINC000050225329 214051132 /nfs/dbraw/zinc/05/11/32/214051132.db2.gz WXDKYRNJESYRNC-JTQLQIEISA-N 1 0 328.250 4.809 20 0 EJADRO COc1ccccc1CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000013719143 201910605 /nfs/dbraw/zinc/91/06/05/201910605.db2.gz AJKZWVZOHNBXBH-UHFFFAOYSA-N 1 0 341.838 4.941 20 0 EJADRO COc1ccc(Br)cc1C[NH2+][C@H](C)C1CCCCC1 ZINC000103974928 219335349 /nfs/dbraw/zinc/33/53/49/219335349.db2.gz CSDDLQVEBGHNQU-GFCCVEGCSA-N 1 0 326.278 4.516 20 0 EJADRO Brc1ccc(C[NH2+]Cc2ccc3ccccc3c2)s1 ZINC000037985136 213183017 /nfs/dbraw/zinc/18/30/17/213183017.db2.gz HSXBLJZQAGOYIK-UHFFFAOYSA-N 1 0 332.266 4.954 20 0 EJADRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(Br)s1 ZINC000035015257 213005308 /nfs/dbraw/zinc/00/53/08/213005308.db2.gz AONKICKCBWECNP-NSHDSACASA-N 1 0 340.286 4.678 20 0 EJADRO OC1(c2ccccc2)CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000028708158 212633181 /nfs/dbraw/zinc/63/31/81/212633181.db2.gz PMLFKOKTRMHUPA-UHFFFAOYSA-N 1 0 343.470 4.760 20 0 in-vivo EJADRO Cc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2Br)s1 ZINC000038038910 213196207 /nfs/dbraw/zinc/19/62/07/213196207.db2.gz QJYXRHDCYFTJLI-JTQLQIEISA-N 1 0 328.250 4.809 20 0 EJADRO COc1cc(C[NH2+]C(c2ccccc2)c2ccccc2)cc(OC)c1 ZINC000022772520 212323158 /nfs/dbraw/zinc/32/31/58/212323158.db2.gz HKSMXSANSLDYAY-UHFFFAOYSA-N 1 0 333.431 4.583 20 0 EJADRO CCCOc1c(Cl)cc(C[NH2+][C@@H](C)c2ccccc2)cc1OC ZINC000020931392 212190601 /nfs/dbraw/zinc/19/06/01/212190601.db2.gz JARXFGQDUPIVDC-AWEZNQCLSA-N 1 0 333.859 4.988 20 0 EJADRO COc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1Br ZINC000020927830 212188378 /nfs/dbraw/zinc/18/83/78/212188378.db2.gz JOEFWKUMPWSYSM-CQSZACIVSA-N 1 0 348.284 4.569 20 0 EJADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000072186136 203183374 /nfs/dbraw/zinc/18/33/74/203183374.db2.gz XRNINQOREKYDPG-CHWSQXEVSA-N 1 0 349.272 4.582 20 0 EJADRO Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(C[NH+](C)C)c1 ZINC000078704072 217106228 /nfs/dbraw/zinc/10/62/28/217106228.db2.gz HHKSLPHBAOMFKR-UHFFFAOYSA-N 1 0 337.250 4.616 20 0 EJADRO CC(C)c1oc([C@H]2CCC[N@@H+]2C[C@@H]2CCOC2)nc1-c1ccccc1 ZINC000363363799 519912637 /nfs/dbraw/zinc/91/26/37/519912637.db2.gz FKVCQKPFSCLDLE-FUHWJXTLSA-N 1 0 340.467 4.638 20 0 EJADRO CC[C@@H]([NH2+][C@H](C)c1cnn(C)c1C)c1ccc(Cl)c(Cl)c1 ZINC000037321758 522941709 /nfs/dbraw/zinc/94/17/09/522941709.db2.gz RUNPNFLOKMXBIZ-QLJPJBMISA-N 1 0 326.271 4.837 20 0 EJADRO CCOc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1OCC ZINC000013726023 563718399 /nfs/dbraw/zinc/71/83/99/563718399.db2.gz RYYQKYOWQZSVAN-KRWDZBQOSA-N 1 0 327.468 4.595 20 0 EJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCCC3)CC2)nc1 ZINC001164419283 718894070 /nfs/dbraw/zinc/89/40/70/718894070.db2.gz HTLDTNHTZTZLAK-LJQANCHMSA-N 1 0 327.516 4.789 20 0 EJADRO c1ccc(CCC2CCN(c3ncccc3C[NH+]3CCCC3)CC2)cc1 ZINC001165043764 721940367 /nfs/dbraw/zinc/94/03/67/721940367.db2.gz FYAMGLLPKGRSAI-UHFFFAOYSA-N 1 0 349.522 4.527 20 0 EJADRO c1ccc(-c2ccnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2)cc1 ZINC001165046133 721967789 /nfs/dbraw/zinc/96/77/89/721967789.db2.gz BRGZXVZRROTELR-OAQYLSRUSA-N 1 0 335.495 4.593 20 0 EJADRO CCC1CCC(C[NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000103978506 219334676 /nfs/dbraw/zinc/33/46/76/219334676.db2.gz OBMIVASZRILPGN-UHFFFAOYSA-N 1 0 328.269 4.894 20 0 EJADRO Fc1cccc(Cl)c1COc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000040722898 213376521 /nfs/dbraw/zinc/37/65/21/213376521.db2.gz IMMVDZWVRYZMQP-UHFFFAOYSA-N 1 0 345.801 4.941 20 0 EJADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(Br)s2)c(F)c1 ZINC000038018362 213190395 /nfs/dbraw/zinc/19/03/95/213190395.db2.gz IDAUFMXRZNHINB-VIFPVBQESA-N 1 0 344.249 4.509 20 0 EJADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)c1cccc(O)c1 ZINC000038003238 213187703 /nfs/dbraw/zinc/18/77/03/213187703.db2.gz SBHMNUPTWKLVFJ-ZJUUUORDSA-N 1 0 326.259 4.628 20 0 EJADRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)s2)c1 ZINC000038003400 213187418 /nfs/dbraw/zinc/18/74/18/213187418.db2.gz FYWZCVAXOXMXSG-MNOVXSKESA-N 1 0 340.286 4.931 20 0 EJADRO C[C@H]([NH2+][C@H]1CCCc2occc21)c1ccc(Br)s1 ZINC000038002154 213187040 /nfs/dbraw/zinc/18/70/40/213187040.db2.gz NOQUUICXGXALBV-ONGXEEELSA-N 1 0 326.259 4.832 20 0 EJADRO C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1ccc(Br)s1 ZINC000038002024 213186554 /nfs/dbraw/zinc/18/65/54/213186554.db2.gz ZDGRJZACFHIRAX-WDEREUQCSA-N 1 0 328.275 4.776 20 0 EJADRO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038002022 213186064 /nfs/dbraw/zinc/18/60/64/213186064.db2.gz ZDGRJZACFHIRAX-QWRGUYRKSA-N 1 0 328.275 4.776 20 0 EJADRO FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2Br)C1 ZINC000035257587 213015336 /nfs/dbraw/zinc/01/53/36/213015336.db2.gz URQTVTBRYDQYLS-RYUDHWBXSA-N 1 0 336.195 4.660 20 0 EJADRO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1ccc(Br)s1 ZINC000038003237 213187719 /nfs/dbraw/zinc/18/77/19/213187719.db2.gz SBHMNUPTWKLVFJ-UWVGGRQHSA-N 1 0 326.259 4.628 20 0 EJADRO c1ccc2c(c1)cccc2CCCN1CC[NH+](C2CCCCC2)CC1 ZINC000022931151 212335883 /nfs/dbraw/zinc/33/58/83/212335883.db2.gz JUUYFYSVESOHNG-UHFFFAOYSA-N 1 0 336.523 4.723 20 0 EJADRO C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000022197892 212281904 /nfs/dbraw/zinc/28/19/04/212281904.db2.gz KCQYYUIOBIIVPX-QZTJIDSGSA-N 1 0 336.479 4.660 20 0 EJADRO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000022197894 212281653 /nfs/dbraw/zinc/28/16/53/212281653.db2.gz KCQYYUIOBIIVPX-HDICACEKSA-N 1 0 336.479 4.660 20 0 EJADRO CCCOc1c(Br)cc(C[NH2+]C(C)(C)CC)cc1OC ZINC000020933099 212189676 /nfs/dbraw/zinc/18/96/76/212189676.db2.gz GUQWTXWTACOKSH-UHFFFAOYSA-N 1 0 344.293 4.525 20 0 EJADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000120694704 519749083 /nfs/dbraw/zinc/74/90/83/519749083.db2.gz QMEHJQUJNCTYGS-STQMWFEESA-N 1 0 348.393 4.658 20 0 EJADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000032906734 563793053 /nfs/dbraw/zinc/79/30/53/563793053.db2.gz XZJTZGSDLROZNL-VLIAUNLRSA-N 1 0 325.839 4.877 20 0 EJADRO COc1ccc(Br)cc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000013725571 564020613 /nfs/dbraw/zinc/02/06/13/564020613.db2.gz KYDQBFXKPBTMCD-CQSZACIVSA-N 1 0 348.284 4.569 20 0 EJADRO COc1ccc(Cl)cc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000013723130 564020620 /nfs/dbraw/zinc/02/06/20/564020620.db2.gz SLMJDXRPXFRXKZ-UHFFFAOYSA-N 1 0 344.669 4.988 20 0 EJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cc(C)ccn4)CC3)CC2)cc1 ZINC001164759862 721041115 /nfs/dbraw/zinc/04/11/15/721041115.db2.gz ALYXSFNAZDWGNZ-UHFFFAOYSA-N 1 0 349.522 4.581 20 0 EJADRO CC[NH+](CC)C1CCN(c2cc(Cl)nc3cc(C)ccc32)CC1 ZINC001165054124 722003572 /nfs/dbraw/zinc/00/35/72/722003572.db2.gz ZWQRWHOJFVTIKC-UHFFFAOYSA-N 1 0 331.891 4.507 20 0 EJADRO Clc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3C3CCCC3)o2)cc1 ZINC000067978346 215265534 /nfs/dbraw/zinc/26/55/34/215265534.db2.gz QVGLJKPFUPKROX-INIZCTEOSA-N 1 0 331.847 4.545 20 0 EJADRO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2)ccc1OC(C)C ZINC000040729556 213378111 /nfs/dbraw/zinc/37/81/11/213378111.db2.gz LQOQMROTLXADIV-KRWDZBQOSA-N 1 0 327.468 4.593 20 0 EJADRO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038001856 202081516 /nfs/dbraw/zinc/08/15/16/202081516.db2.gz VLJUGJZTZJLCGY-WDEREUQCSA-N 1 0 340.286 4.931 20 0 EJADRO Brc1ccc(C[NH2+][C@H]2CSCc3ccccc32)s1 ZINC000038018320 213190169 /nfs/dbraw/zinc/19/01/69/213190169.db2.gz OMTQBERYPQAQRR-ZDUSSCGKSA-N 1 0 340.311 4.588 20 0 EJADRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038001855 213186189 /nfs/dbraw/zinc/18/61/89/213186189.db2.gz VLJUGJZTZJLCGY-MNOVXSKESA-N 1 0 340.286 4.931 20 0 EJADRO C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(Br)s1 ZINC000038001874 213185633 /nfs/dbraw/zinc/18/56/33/213185633.db2.gz CWQZEGGDZYDOTA-NSHDSACASA-N 1 0 349.297 4.885 20 0 EJADRO Cc1cc(NCc2ccc(Br)s2)c2ccccc2[nH+]1 ZINC000037984161 213182707 /nfs/dbraw/zinc/18/27/07/213182707.db2.gz LKWIXPYBAWIEFG-UHFFFAOYSA-N 1 0 333.254 4.979 20 0 EJADRO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000035257538 213015229 /nfs/dbraw/zinc/01/52/29/213015229.db2.gz CBZCPIGDERCWLK-WCQYABFASA-N 1 0 336.195 4.660 20 0 EJADRO CC[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(OC)cc1 ZINC000035012953 213004364 /nfs/dbraw/zinc/00/43/64/213004364.db2.gz YARJOEWAURPTNA-AWEZNQCLSA-N 1 0 340.286 4.760 20 0 EJADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1)c1ccc(F)c(F)c1 ZINC000034992833 213004233 /nfs/dbraw/zinc/00/42/33/213004233.db2.gz BCNXULWEECDIND-SNVBAGLBSA-N 1 0 326.184 4.578 20 0 EJADRO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(F)c(F)c1 ZINC000035010101 213003960 /nfs/dbraw/zinc/00/39/60/213003960.db2.gz LHVHJLGGJDXWAT-MRVPVSSYSA-N 1 0 332.213 4.640 20 0 EJADRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2sccc2Br)c1 ZINC000037771502 213165680 /nfs/dbraw/zinc/16/56/80/213165680.db2.gz GEHDHEJUUKBIIT-MNOVXSKESA-N 1 0 340.286 4.931 20 0 EJADRO Brc1cc(C[NH2+][C@H]2CCCc3sccc32)cs1 ZINC000061360034 201146061 /nfs/dbraw/zinc/14/60/61/201146061.db2.gz NDLGPBDRMZUGLF-NSHDSACASA-N 1 0 328.300 4.739 20 0 EJADRO C[C@H]([NH2+]CC[C@H](c1ccccc1)C(F)(F)F)c1cn2ccccc2n1 ZINC000579732252 370706468 /nfs/dbraw/zinc/70/64/68/370706468.db2.gz SSFIYUBTMAEWAU-GOEBONIOSA-N 1 0 347.384 4.721 20 0 EJADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000216227922 241173647 /nfs/dbraw/zinc/17/36/47/241173647.db2.gz DFNREUPVWTUHPH-OXJKWZBOSA-N 1 0 343.298 4.735 20 0 EJADRO COc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1Br ZINC000020927698 212188318 /nfs/dbraw/zinc/18/83/18/212188318.db2.gz CXLYXBGAGNFIAZ-UHFFFAOYSA-N 1 0 328.294 4.762 20 0 EJADRO CCCOc1ccc(Br)cc1C[NH2+]Cc1ccccc1 ZINC000020929111 212187977 /nfs/dbraw/zinc/18/79/77/212187977.db2.gz FZRPDBWCGVSBQY-UHFFFAOYSA-N 1 0 334.257 4.528 20 0 EJADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000120695054 519747478 /nfs/dbraw/zinc/74/74/78/519747478.db2.gz QMEHJQUJNCTYGS-CHWSQXEVSA-N 1 0 348.393 4.658 20 0 EJADRO CC[C@@H]([NH2+]Cc1cccc(COC)c1)c1cccc(Br)c1 ZINC000038010730 522879661 /nfs/dbraw/zinc/87/96/61/522879661.db2.gz VXFVEWGPRXXMEM-GOSISDBHSA-N 1 0 348.284 4.836 20 0 EJADRO CC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1ccc(Cl)c(Cl)c1 ZINC000037321756 522915722 /nfs/dbraw/zinc/91/57/22/522915722.db2.gz RUNPNFLOKMXBIZ-MGPLVRAMSA-N 1 0 326.271 4.837 20 0 EJADRO c1ccc(-c2ccnc(N3CCCC[C@H]3CC[NH+]3CCCC3)c2)cc1 ZINC001165046132 721967844 /nfs/dbraw/zinc/96/78/44/721967844.db2.gz BRGZXVZRROTELR-NRFANRHFSA-N 1 0 335.495 4.593 20 0 EJADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)s1 ZINC000050225330 214050986 /nfs/dbraw/zinc/05/09/86/214050986.db2.gz WXDKYRNJESYRNC-SNVBAGLBSA-N 1 0 328.250 4.809 20 0 EJADRO CCC1CCC(C[NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000103972884 219334521 /nfs/dbraw/zinc/33/45/21/219334521.db2.gz VZWFOYJKLUBUBR-UHFFFAOYSA-N 1 0 328.269 4.894 20 0 EJADRO Brc1ccc(C[NH2+]C[C@H]2CCCc3ccccc32)s1 ZINC000104320120 219373767 /nfs/dbraw/zinc/37/37/67/219373767.db2.gz DQMUDPONVBNVRK-CYBMUJFWSA-N 1 0 336.298 4.720 20 0 EJADRO O[C@H](Cc1ccc2ccccc2c1)C[NH+]1CCC(c2ccccc2)CC1 ZINC000001628494 209769524 /nfs/dbraw/zinc/76/95/24/209769524.db2.gz ZIQJSOYKHLHRJO-XMMPIXPASA-N 1 0 345.486 4.623 20 0 EJADRO CC[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1cccs1 ZINC000038039043 213195933 /nfs/dbraw/zinc/19/59/33/213195933.db2.gz IAZSAMKRSNEHOO-CYBMUJFWSA-N 1 0 328.250 4.891 20 0 EJADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(Br)c2)o1 ZINC000037280751 213137614 /nfs/dbraw/zinc/13/76/14/213137614.db2.gz IIWHVCDPROGKCZ-GHMZBOCLSA-N 1 0 326.209 4.901 20 0 EJADRO Brc1cccc(C[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000034992425 213004435 /nfs/dbraw/zinc/00/44/35/213004435.db2.gz NQKFNXSDSMFEQK-OAHLLOKOSA-N 1 0 334.282 4.776 20 0 EJADRO Brc1ccc(C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000034992420 213004060 /nfs/dbraw/zinc/00/40/60/213004060.db2.gz IEUKLGKMDYLVGI-HNNXBMFYSA-N 1 0 334.282 4.776 20 0 EJADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000444012511 370692311 /nfs/dbraw/zinc/69/23/11/370692311.db2.gz SNUPFPPTWSSXIC-UHFFFAOYSA-N 1 0 334.385 4.577 20 0 EJADRO CC[NH2+][C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000042289002 202492378 /nfs/dbraw/zinc/49/23/78/202492378.db2.gz ADAZXQLWWFLXLA-VIFPVBQESA-N 1 0 325.275 4.552 20 0 EJADRO C[C@@H]([NH2+]CCCCc1ccc(Cl)s1)c1cn2ccccc2n1 ZINC000550934192 370700986 /nfs/dbraw/zinc/70/09/86/370700986.db2.gz YCALEGJOXUTDQR-CYBMUJFWSA-N 1 0 333.888 4.723 20 0 EJADRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)s2)cc1 ZINC000035052943 201516268 /nfs/dbraw/zinc/51/62/68/201516268.db2.gz DJHVMEAFBCVOJN-LLVKDONJSA-N 1 0 340.286 4.760 20 0 EJADRO C[N@H+](Cc1ccc(N2CCC(CCc3ccccc3)CC2)nc1)C1CC1 ZINC001165045130 721940423 /nfs/dbraw/zinc/94/04/23/721940423.db2.gz URUZMQPMLORXKG-UHFFFAOYSA-N 1 0 349.522 4.525 20 0 EJADRO CC[NH+](CC)C1CCN(c2cc(Cl)nc3c(C)csc32)CC1 ZINC001165053340 722004188 /nfs/dbraw/zinc/00/41/88/722004188.db2.gz NRIVLDIGGGZDGA-UHFFFAOYSA-N 1 0 337.920 4.569 20 0 EJADRO Fc1ccc(C[NH2+]Cc2csc(Br)c2)cc1Cl ZINC000053149214 214165859 /nfs/dbraw/zinc/16/58/59/214165859.db2.gz DEJJOYDBCSGZCW-UHFFFAOYSA-N 1 0 334.641 4.593 20 0 EJADRO Fc1ccc(Br)c(C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000061328587 214659932 /nfs/dbraw/zinc/65/99/32/214659932.db2.gz WSSSPUNMWWFPEU-CQSZACIVSA-N 1 0 340.261 4.817 20 0 EJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000066411090 215039422 /nfs/dbraw/zinc/03/94/22/215039422.db2.gz MMQNGFYBCXZTIX-PHIMTYICSA-N 1 0 340.254 4.521 20 0 EJADRO CCC[NH2+][C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000042289006 213490629 /nfs/dbraw/zinc/49/06/29/213490629.db2.gz QXRVXGLCWQKUJF-JTQLQIEISA-N 1 0 339.302 4.942 20 0 EJADRO Fc1ccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)cc1Br ZINC000103980872 219335443 /nfs/dbraw/zinc/33/54/43/219335443.db2.gz YEUIGQNMTVXXTL-MRXNPFEDSA-N 1 0 326.253 4.743 20 0 EJADRO C[C@H]([NH2+]Cc1cccc(F)c1F)c1cccc(Br)c1 ZINC000038012453 213188628 /nfs/dbraw/zinc/18/86/28/213188628.db2.gz GWLFXLJDIXXNCA-JTQLQIEISA-N 1 0 326.184 4.578 20 0 EJADRO CSc1ccc(C[NH2+]Cc2ccc(Br)s2)cc1 ZINC000037985094 213183248 /nfs/dbraw/zinc/18/32/48/213183248.db2.gz XUJXLJXOYHIPTA-UHFFFAOYSA-N 1 0 328.300 4.522 20 0 EJADRO COc1ccc(Br)cc1C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000037770771 213165878 /nfs/dbraw/zinc/16/58/78/213165878.db2.gz FYZZFACNUCDSNC-ZDUSSCGKSA-N 1 0 334.257 4.617 20 0 EJADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(Br)c2)o1 ZINC000037280748 213138202 /nfs/dbraw/zinc/13/82/02/213138202.db2.gz IIWHVCDPROGKCZ-WDEREUQCSA-N 1 0 326.209 4.901 20 0 EJADRO O[C@@H](C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1)c1ccccc1 ZINC000036031423 213056432 /nfs/dbraw/zinc/05/64/32/213056432.db2.gz NEHIDZQEWZMFJX-QFIPXVFZSA-N 1 0 335.422 4.562 20 0 EJADRO O[C@H](C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1)c1ccccc1 ZINC000036031425 213056313 /nfs/dbraw/zinc/05/63/13/213056313.db2.gz NEHIDZQEWZMFJX-JOCHJYFZSA-N 1 0 335.422 4.562 20 0 EJADRO C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(F)cc1F ZINC000035010830 213004449 /nfs/dbraw/zinc/00/44/49/213004449.db2.gz LBLNIFAMLBIBNT-QMMMGPOBSA-N 1 0 332.213 4.640 20 0 EJADRO C[C@H](CCc1ccco1)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038002023 202384466 /nfs/dbraw/zinc/38/44/66/202384466.db2.gz ZDGRJZACFHIRAX-MNOVXSKESA-N 1 0 328.275 4.776 20 0 EJADRO Brc1ccc(C[NH2+][C@H](c2cccs2)C2CC2)s1 ZINC000049956833 214037410 /nfs/dbraw/zinc/03/74/10/214037410.db2.gz MHUIFZIRYYYXRA-ZDUSSCGKSA-N 1 0 328.300 4.813 20 0 EJADRO CC[C@H]([NH2+]Cc1cccc(COC)c1)c1cccc(Br)c1 ZINC000038010729 522652105 /nfs/dbraw/zinc/65/21/05/522652105.db2.gz VXFVEWGPRXXMEM-SFHVURJKSA-N 1 0 348.284 4.836 20 0 EJADRO C[C@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1cccc(OC(F)F)c1 ZINC000067946147 525431133 /nfs/dbraw/zinc/43/11/33/525431133.db2.gz ULBGCAVYWQFSJD-VIFPVBQESA-N 1 0 331.284 4.556 20 0 EJADRO CC[NH+](CC)C1CCN(c2nc(Cl)cc3cc(C)ccc32)CC1 ZINC001165053300 722004727 /nfs/dbraw/zinc/00/47/27/722004727.db2.gz LPXNKEXTKGRXHF-UHFFFAOYSA-N 1 0 331.891 4.507 20 0 EJADRO CC[NH+](CC)C1CCN(c2nc(Cl)cc3cccc(C)c32)CC1 ZINC001165054614 722007464 /nfs/dbraw/zinc/00/74/64/722007464.db2.gz UDIKVKXLIGXXCO-UHFFFAOYSA-N 1 0 331.891 4.507 20 0 EJADRO Fc1ccc(C[NH2+]Cc2cccc(Br)c2)cc1Cl ZINC000053155645 214166407 /nfs/dbraw/zinc/16/64/07/214166407.db2.gz VHAIJESUQIHXQK-UHFFFAOYSA-N 1 0 328.612 4.531 20 0 EJADRO COc1ccc2c(Nc3cc(NC(C)=O)ccc3Cl)cc[nH+]c2c1 ZINC000054202383 214223397 /nfs/dbraw/zinc/22/33/97/214223397.db2.gz JFKGWDLLNXPDSU-UHFFFAOYSA-N 1 0 341.798 4.599 20 0 EJADRO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(Br)s1 ZINC000049577562 214019853 /nfs/dbraw/zinc/01/98/53/214019853.db2.gz IAEGGBVBHRDQJL-QMMMGPOBSA-N 1 0 332.213 4.640 20 0 EJADRO COc1ccc(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)cc1OC ZINC000003641600 210070825 /nfs/dbraw/zinc/07/08/25/210070825.db2.gz XUACCYXKVMQKOW-UHFFFAOYSA-N 1 0 345.870 4.737 20 0 EJADRO C[C@@H]([NH2+]Cc1cccc(F)c1F)c1cccc(Br)c1 ZINC000038012454 202084163 /nfs/dbraw/zinc/08/41/63/202084163.db2.gz GWLFXLJDIXXNCA-SNVBAGLBSA-N 1 0 326.184 4.578 20 0 EJADRO C[C@@H](CC[NH+]1CCN(C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000022588727 202087676 /nfs/dbraw/zinc/08/76/76/202087676.db2.gz HTIRYUDGMBVNBZ-OMCJBDSBSA-N 1 0 334.507 4.511 20 0 EJADRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038001857 213186403 /nfs/dbraw/zinc/18/64/03/213186403.db2.gz VLJUGJZTZJLCGY-GHMZBOCLSA-N 1 0 340.286 4.931 20 0 EJADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(Br)s2)o1 ZINC000037985165 213184030 /nfs/dbraw/zinc/18/40/30/213184030.db2.gz SGJPWLWZEOHONY-CABZTGNLSA-N 1 0 326.259 4.517 20 0 EJADRO C[C@@H]([NH2+]Cc1cc(Br)cs1)c1ccc(F)c(F)c1 ZINC000035010086 213003815 /nfs/dbraw/zinc/00/38/15/213003815.db2.gz WDJQSKAACGPTNN-MRVPVSSYSA-N 1 0 332.213 4.640 20 0 EJADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000072186135 216067529 /nfs/dbraw/zinc/06/75/29/216067529.db2.gz XRNINQOREKYDPG-BETUJISGSA-N 1 0 349.272 4.582 20 0 EJADRO Fc1ccc(C[NH2+]Cc2ccc(Br)s2)c(Cl)c1 ZINC000038018667 202386963 /nfs/dbraw/zinc/38/69/63/202386963.db2.gz HSTKHMOMNLHWMF-UHFFFAOYSA-N 1 0 334.641 4.593 20 0 EJADRO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000037090025 213132940 /nfs/dbraw/zinc/13/29/40/213132940.db2.gz MNNIFKLAJJOPIP-VIFPVBQESA-N 1 0 344.249 4.509 20 0 EJADRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2)cc1Br ZINC000037770276 213166182 /nfs/dbraw/zinc/16/61/82/213166182.db2.gz YZLJCVCDMLRZAH-CYBMUJFWSA-N 1 0 334.257 4.617 20 0 EJADRO CCCOc1ccc(Br)cc1C[NH2+]Cc1cccs1 ZINC000020929233 212190335 /nfs/dbraw/zinc/19/03/35/212190335.db2.gz DLPOVEOOYZNGKR-UHFFFAOYSA-N 1 0 340.286 4.589 20 0 EJADRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2Cl)cc1OC ZINC000071854583 203128993 /nfs/dbraw/zinc/12/89/93/203128993.db2.gz LDTZKOACKDDCPU-QGZVFWFLSA-N 1 0 331.843 4.694 20 0 EJADRO CC[C@H]([NH2+]Cc1ccc(OC)cc1)c1ccc(Br)cc1 ZINC000019909199 212082640 /nfs/dbraw/zinc/08/26/40/212082640.db2.gz MJGVNVSDJQVEJJ-KRWDZBQOSA-N 1 0 334.257 4.699 20 0 EJADRO CC(C)c1oc([C@H]2CCC[N@@H+]2C[C@H]2CCOC2)nc1-c1ccccc1 ZINC000363363800 519912929 /nfs/dbraw/zinc/91/29/29/519912929.db2.gz FKVCQKPFSCLDLE-SJLPKXTDSA-N 1 0 340.467 4.638 20 0 EJADRO CC[C@H]([NH2+]Cc1cccc(COC)c1)c1ccc(Br)cc1 ZINC000038010479 522652941 /nfs/dbraw/zinc/65/29/41/522652941.db2.gz IVZUCEPNFIIXAK-SFHVURJKSA-N 1 0 348.284 4.836 20 0 EJADRO COCc1cccc(C[NH2+][C@H](C)c2ccc(Br)s2)c1 ZINC000038010763 523055110 /nfs/dbraw/zinc/05/51/10/523055110.db2.gz DMWOGSIUUDHUBQ-LLVKDONJSA-N 1 0 340.286 4.508 20 0 EJADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)o1 ZINC000067666906 525734785 /nfs/dbraw/zinc/73/47/85/525734785.db2.gz DDLZOKZIPDYFOC-CYBMUJFWSA-N 1 0 349.356 4.643 20 0 EJADRO COc1cc(C[NH2+]CCC(C)C)ccc1OCc1ccc(F)cc1 ZINC000013724151 563717651 /nfs/dbraw/zinc/71/76/51/563717651.db2.gz VTBMBDQQDUYXFD-UHFFFAOYSA-N 1 0 331.431 4.549 20 0 EJADRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000032906735 563793015 /nfs/dbraw/zinc/79/30/15/563793015.db2.gz XZJTZGSDLROZNL-XOBRGWDASA-N 1 0 325.839 4.877 20 0 EJADRO COc1ccccc1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000013720359 564020642 /nfs/dbraw/zinc/02/06/42/564020642.db2.gz LDROPVNBCQBKRA-UHFFFAOYSA-N 1 0 333.431 4.564 20 0 EJADRO CC[NH+](CC)C1CCN(c2cc(C)c3ccc(Cl)cc3n2)CC1 ZINC001165052835 722004383 /nfs/dbraw/zinc/00/43/83/722004383.db2.gz CHBUHYVPTJHDOK-UHFFFAOYSA-N 1 0 331.891 4.507 20 0 EJADRO CC(C)COC1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000054328510 214231396 /nfs/dbraw/zinc/23/13/96/214231396.db2.gz ZSRFPOUAWCRSMH-UHFFFAOYSA-N 1 0 332.875 4.525 20 0 EJADRO CC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OCC)c1 ZINC000040737361 213378414 /nfs/dbraw/zinc/37/84/14/213378414.db2.gz ROLLGYFPGDNRLL-UHFFFAOYSA-N 1 0 337.822 4.566 20 0 EJADRO CCOc1cc(C[NH2+]C2CC2)ccc1OCc1c(F)cccc1Cl ZINC000040737414 213379417 /nfs/dbraw/zinc/37/94/17/213379417.db2.gz UAQXJHRCLQXYTF-UHFFFAOYSA-N 1 0 349.833 4.709 20 0 EJADRO C[C@H](c1ccccc1)[NH+]1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000039199142 213231306 /nfs/dbraw/zinc/23/13/06/213231306.db2.gz IUYXZBIKBMPWJY-LJQANCHMSA-N 1 0 330.475 4.719 20 0 EJADRO CC[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(F)cc1 ZINC000038038997 213195174 /nfs/dbraw/zinc/19/51/74/213195174.db2.gz WKUCMKCSSXXEML-INIZCTEOSA-N 1 0 340.211 4.968 20 0 EJADRO Brc1ccc(C[NH2+]Cc2cccc3ccccc32)s1 ZINC000037985116 213183342 /nfs/dbraw/zinc/18/33/42/213183342.db2.gz CCBNQIRPKSDAMW-UHFFFAOYSA-N 1 0 332.266 4.954 20 0 EJADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(Br)c2)o1 ZINC000037280749 213138261 /nfs/dbraw/zinc/13/82/61/213138261.db2.gz IIWHVCDPROGKCZ-QWRGUYRKSA-N 1 0 326.209 4.901 20 0 EJADRO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)c1ccc(Br)s1 ZINC000038003240 213187809 /nfs/dbraw/zinc/18/78/09/213187809.db2.gz SBHMNUPTWKLVFJ-NXEZZACHSA-N 1 0 326.259 4.628 20 0 EJADRO C[C@H]([NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)c1cn2ccccc2n1 ZINC000579732254 370706016 /nfs/dbraw/zinc/70/60/16/370706016.db2.gz SSFIYUBTMAEWAU-HOCLYGCPSA-N 1 0 347.384 4.721 20 0 EJADRO C[C@H]1C[C@H](C)C[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000022197898 212281449 /nfs/dbraw/zinc/28/14/49/212281449.db2.gz KCQYYUIOBIIVPX-ROUUACIJSA-N 1 0 336.479 4.660 20 0 EJADRO CCCOc1c(Cl)cc(C[NH2+]C2CCCCC2)cc1OCC ZINC000020931783 212190292 /nfs/dbraw/zinc/19/02/92/212190292.db2.gz YRSUJLVEYIAJFY-UHFFFAOYSA-N 1 0 325.880 4.950 20 0 EJADRO CCCOc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OCC ZINC000020933219 212189957 /nfs/dbraw/zinc/18/99/57/212189957.db2.gz HTKJENJCTUAERH-UHFFFAOYSA-N 1 0 333.859 4.817 20 0 EJADRO FC(F)(F)c1cccc(C[NH2+]Cc2ccc(Br)cc2)c1 ZINC000019906678 212082073 /nfs/dbraw/zinc/08/20/73/212082073.db2.gz OOBHHRKFRMVBPB-UHFFFAOYSA-N 1 0 344.174 4.758 20 0 EJADRO COCc1cccc(C[NH2+][C@@H](C)c2ccc(Br)s2)c1 ZINC000038010762 523056267 /nfs/dbraw/zinc/05/62/67/523056267.db2.gz DMWOGSIUUDHUBQ-NSHDSACASA-N 1 0 340.286 4.508 20 0 EJADRO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000298685058 525479263 /nfs/dbraw/zinc/47/92/63/525479263.db2.gz HCAJJOKHLKRNGZ-LBPRGKRZSA-N 1 0 325.378 4.508 20 0 EJADRO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000298685054 525553218 /nfs/dbraw/zinc/55/32/18/525553218.db2.gz HCAJJOKHLKRNGZ-GFCCVEGCSA-N 1 0 325.378 4.508 20 0 EJADRO Cc1nc(C)c([C@@H](C)[NH2+]Cc2cc(Br)ccc2F)s1 ZINC000040445874 526746061 /nfs/dbraw/zinc/74/60/61/526746061.db2.gz URJHVZOMCKLDMY-MRVPVSSYSA-N 1 0 343.265 4.512 20 0 EJADRO CC(C)OCCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000013722080 563716833 /nfs/dbraw/zinc/71/68/33/563716833.db2.gz UOMLVMSWCZLKGN-UHFFFAOYSA-N 1 0 341.373 4.870 20 0 EJADRO C[NH+](C)CC[C@H](Oc1ccc(O)c2ccccc12)c1cccs1 ZINC000077302950 563935226 /nfs/dbraw/zinc/93/52/26/563935226.db2.gz SBXNRQCJTFEZJD-SFHVURJKSA-N 1 0 327.449 4.679 20 0 in-vitro EJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCCC3)CC2)nc1 ZINC001164419282 718894162 /nfs/dbraw/zinc/89/41/62/718894162.db2.gz HTLDTNHTZTZLAK-IBGZPJMESA-N 1 0 327.516 4.789 20 0 EJADRO COc1ccc(C)cc1C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000065966755 215001829 /nfs/dbraw/zinc/00/18/29/215001829.db2.gz QPURLPPQVOILLM-UHFFFAOYSA-N 1 0 334.463 4.865 20 0 EJADRO Brc1ccc(C[NH2+]C[C@@H]2CCCc3ccccc32)s1 ZINC000104320123 219374178 /nfs/dbraw/zinc/37/41/78/219374178.db2.gz DQMUDPONVBNVRK-ZDUSSCGKSA-N 1 0 336.298 4.720 20 0 EJADRO CC[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(F)cc1 ZINC000038038998 213195922 /nfs/dbraw/zinc/19/59/22/213195922.db2.gz WKUCMKCSSXXEML-MRXNPFEDSA-N 1 0 340.211 4.968 20 0 EJADRO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(Br)s1 ZINC000038001875 213186243 /nfs/dbraw/zinc/18/62/43/213186243.db2.gz CWQZEGGDZYDOTA-LLVKDONJSA-N 1 0 349.297 4.885 20 0 EJADRO COc1ccc(Br)cc1C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000037770770 213165488 /nfs/dbraw/zinc/16/54/88/213165488.db2.gz FYZZFACNUCDSNC-CYBMUJFWSA-N 1 0 334.257 4.617 20 0 EJADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)cc1F ZINC000037329288 213140251 /nfs/dbraw/zinc/14/02/51/213140251.db2.gz ZJVMRRSWOLHLCM-JTQLQIEISA-N 1 0 328.214 4.992 20 0 EJADRO CC[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(OC)cc1 ZINC000035012954 213004218 /nfs/dbraw/zinc/00/42/18/213004218.db2.gz YARJOEWAURPTNA-CQSZACIVSA-N 1 0 340.286 4.760 20 0 EJADRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2ccc(Br)cc2)n1 ZINC000072184634 216067573 /nfs/dbraw/zinc/06/75/73/216067573.db2.gz OYCFFSNGWRIMBX-MLGOLLRUSA-N 1 0 349.272 4.772 20 0 EJADRO C[C@@H]([NH2+][C@H]1CCCc2occc21)c1ccc(Br)s1 ZINC000038002155 213187136 /nfs/dbraw/zinc/18/71/36/213187136.db2.gz NOQUUICXGXALBV-KOLCDFICSA-N 1 0 326.259 4.832 20 0 EJADRO O=C(CC[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccccc1Cl ZINC000022194337 212281500 /nfs/dbraw/zinc/28/15/00/212281500.db2.gz ZRJFUIMSMFJJMR-OAHLLOKOSA-N 1 0 334.872 4.567 20 0 EJADRO c1csc(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)c1 ZINC000067718619 526581150 /nfs/dbraw/zinc/58/11/50/526581150.db2.gz ZAKJTNQAHRWLFO-UHFFFAOYSA-N 1 0 337.492 4.576 20 0 EJADRO CCOc1cc(C[NH2+]CCC(C)C)ccc1OCc1ccccc1 ZINC000013724168 563717584 /nfs/dbraw/zinc/71/75/84/563717584.db2.gz VAMDHHXZMSNQQC-UHFFFAOYSA-N 1 0 327.468 4.800 20 0 EJADRO COc1ccc2ccccc2c1C[NH2+]CCc1ccc(Cl)cc1 ZINC000013721216 564020627 /nfs/dbraw/zinc/02/06/27/564020627.db2.gz GIHPQUBPIZQGMD-UHFFFAOYSA-N 1 0 325.839 4.834 20 0 EJADRO c1ccc(CCC2CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)cc1 ZINC001165043719 721940386 /nfs/dbraw/zinc/94/03/86/721940386.db2.gz CVFHWPWEJJGHEI-UHFFFAOYSA-N 1 0 349.522 4.527 20 0 EJADRO CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(CC(OCC3CC3)C2)CC1 ZINC001164986244 722173078 /nfs/dbraw/zinc/17/30/78/722173078.db2.gz JIQWWSDGEKCZEM-UHFFFAOYSA-N 1 0 348.918 4.641 20 0 EJADRO