smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C(=O)Nc2ccccc2CC[C@@H]2CCCC[N@H+]2C)ccc1O ZINC000003802769 204110508 /nfs/dbraw/zinc/11/05/08/204110508.db2.gz LBYXPDAENJSHDD-SFHVURJKSA-N 1 1 368.477 4.070 40 0 in-man FIABMO COc1ccc(C(=O)OCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1 ZINC000005187368 204196181 /nfs/dbraw/zinc/19/61/81/204196181.db2.gz MJEUFNXDZGUHPY-QGZVFWFLSA-N 1 1 353.462 4.427 40 0 FIABMO Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(F)cc2)c1 ZINC000035289782 204223812 /nfs/dbraw/zinc/22/38/12/204223812.db2.gz NUVVCMHVENXTJO-FRIKZZABSA-N 1 1 366.480 4.450 40 0 FIABMO COc1ccc(C(=O)CN(c2ccc(C)cc2)C2=[NH+]CCCC2)cc1OC ZINC000008411695 204330878 /nfs/dbraw/zinc/33/08/78/204330878.db2.gz UZFLHLPEYVIHHC-UHFFFAOYSA-N 1 1 366.461 4.284 40 0 FIABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)CC2=Cc3ccccc3OC2)o1 ZINC000036740263 205021529 /nfs/dbraw/zinc/02/15/29/205021529.db2.gz HAZZBXRJZBLHCY-UHFFFAOYSA-N 1 1 363.461 4.153 40 0 FIABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccccc1 ZINC000038832819 205042963 /nfs/dbraw/zinc/04/29/63/205042963.db2.gz DUJMFFOAICBBPW-QFBILLFUSA-N 1 1 356.897 4.429 40 0 FIABMO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038835064 205043172 /nfs/dbraw/zinc/04/31/72/205043172.db2.gz PSEFTLFRWPSOHD-MRXNPFEDSA-N 1 1 358.869 4.199 40 0 FIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000038850935 205043274 /nfs/dbraw/zinc/04/32/74/205043274.db2.gz XLFYZFHDDYOXIA-UHFFFAOYSA-N 1 1 373.500 4.335 40 0 FIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000044901356 205115371 /nfs/dbraw/zinc/11/53/71/205115371.db2.gz REVUKKSZHVBLJU-DHZHZOJOSA-N 1 1 351.837 4.164 40 0 FIABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1cc(F)cc(F)c1 ZINC000043277813 205103223 /nfs/dbraw/zinc/10/32/23/205103223.db2.gz ZXXLFQBWVIHHDC-UHFFFAOYSA-N 1 1 371.431 4.262 40 0 FIABMO Cc1ccc(C)c(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000046103171 205133782 /nfs/dbraw/zinc/13/37/82/205133782.db2.gz HUATZHDEXRQUOC-UHFFFAOYSA-N 1 1 353.535 4.038 40 0 FIABMO COc1ccccc1-c1cccc([C@@H]2CCC[N@H+](C3CCOCC3)C2)n1 ZINC000072350076 205516022 /nfs/dbraw/zinc/51/60/22/205516022.db2.gz PIZRGAROLMUFNT-QGZVFWFLSA-N 1 1 352.478 4.116 40 0 FIABMO CCc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccco2)cc1 ZINC000008654086 206215666 /nfs/dbraw/zinc/21/56/66/206215666.db2.gz QHBDYLBWYSEEIL-YQQQUEKLSA-N 1 1 369.534 4.324 40 0 FIABMO COc1ccc(C[N@H+](Cc2cccs2)Cc2cccnc2)cc1OC ZINC000013569720 206303181 /nfs/dbraw/zinc/30/31/81/206303181.db2.gz CFOWDAJUOMQKID-UHFFFAOYSA-N 1 1 354.475 4.363 40 0 FIABMO COc1ccc(C[N@@H+](Cc2cccs2)Cc2cccnc2)cc1OC ZINC000013569720 206303187 /nfs/dbraw/zinc/30/31/87/206303187.db2.gz CFOWDAJUOMQKID-UHFFFAOYSA-N 1 1 354.475 4.363 40 0 FIABMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019720100 206326129 /nfs/dbraw/zinc/32/61/29/206326129.db2.gz SISAAQVJJIYWIY-QTGUNEKASA-N 1 1 360.501 4.163 40 0 FIABMO Cc1nc(NCc2ccccc2)cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]1 ZINC000328960947 132371763 /nfs/dbraw/zinc/37/17/63/132371763.db2.gz AZQQSBIJGNOVMA-MRXNPFEDSA-N 1 1 374.488 4.013 40 0 FIABMO Clc1ccc2c(c1)CCN(c1cc[nH+]c(NCc3ccccc3)n1)C2 ZINC000328959961 132371876 /nfs/dbraw/zinc/37/18/76/132371876.db2.gz AVUMRXPUXIWBPU-UHFFFAOYSA-N 1 1 350.853 4.305 40 0 FIABMO CC(C)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]c(C(C)C)n1 ZINC000328995063 132372300 /nfs/dbraw/zinc/37/23/00/132372300.db2.gz JFRPKBMUWLELQK-HNNXBMFYSA-N 1 1 354.498 4.036 40 0 FIABMO CCN(CC)CC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000022076622 263385342 /nfs/dbraw/zinc/38/53/42/263385342.db2.gz WXQYEAALLIYBDO-UHFFFAOYSA-N 1 1 351.288 4.141 40 0 FIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000020110680 527370347 /nfs/dbraw/zinc/37/03/47/527370347.db2.gz VMCFCWVMVNSXAQ-IZZDOVSWSA-N 1 1 351.837 4.164 40 0 FIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C=C/c1ccc(Cl)cc1 ZINC000019932312 527383462 /nfs/dbraw/zinc/38/34/62/527383462.db2.gz BLBNVBMYVLFONA-DHZHZOJOSA-N 1 1 351.837 4.164 40 0 FIABMO COc1ccccc1C(=O)Nc1cc([NH+]2C[C@@H](C)C[C@H](C)C2)c(C)cc1N ZINC000226331674 537001036 /nfs/dbraw/zinc/00/10/36/537001036.db2.gz VWJUMBVLMGVQAK-GJZGRUSLSA-N 1 1 367.493 4.320 40 0 FIABMO CC[N@@H+](C)CCc1cc(OC)c(OC)cc1/C=C\c1ccc(OC)cc1 ZINC000033334520 560089053 /nfs/dbraw/zinc/08/90/53/560089053.db2.gz FZXDJODZRCGYAS-YFHOEESVSA-N 1 1 355.478 4.377 40 0 biogenic,in-vitro FIABMO CC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C2)C1 ZINC000096157127 570478199 /nfs/dbraw/zinc/47/81/99/570478199.db2.gz YIXNCMZQTCSWOJ-QGZVFWFLSA-N 1 1 374.834 4.193 40 0 FIABMO CC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C2)C1 ZINC000096157127 570478203 /nfs/dbraw/zinc/47/82/03/570478203.db2.gz YIXNCMZQTCSWOJ-QGZVFWFLSA-N 1 1 374.834 4.193 40 0 FIABMO O=C(CCc1ccccc1)N1CCC[C@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000096214660 570479653 /nfs/dbraw/zinc/47/96/53/570479653.db2.gz SOZLYFKSVLWZOH-DEOSSOPVSA-N 1 1 362.517 4.276 40 0 FIABMO COc1ccc(C[N@H+](Cc2ccncc2)Cc2cccc(F)c2)cc1OC ZINC000013989916 570500006 /nfs/dbraw/zinc/50/00/06/570500006.db2.gz YJDOEFXOIBZXOI-UHFFFAOYSA-N 1 1 366.436 4.440 40 0 FIABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2cccc(F)c2)cc1OC ZINC000013989916 570500007 /nfs/dbraw/zinc/50/00/07/570500007.db2.gz YJDOEFXOIBZXOI-UHFFFAOYSA-N 1 1 366.436 4.440 40 0 FIABMO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044933435 570539172 /nfs/dbraw/zinc/53/91/72/570539172.db2.gz ILTYFJLVWKILFS-PXNSSMCTSA-N 1 1 354.469 4.224 40 0 FIABMO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000072354574 570546060 /nfs/dbraw/zinc/54/60/60/570546060.db2.gz UMYSHBDMYOPEKU-IBGZPJMESA-N 1 1 366.415 4.341 40 0 FIABMO COc1ccc(C2(NC(=O)CCn3cc[nH+]c3C(C)C)CCCCC2)cc1 ZINC000012115996 570719844 /nfs/dbraw/zinc/71/98/44/570719844.db2.gz ILCBOQMXGLADCO-UHFFFAOYSA-N 1 1 369.509 4.381 40 0 FIABMO O[C@]1(c2ccc(F)cc2)CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000012143579 570721616 /nfs/dbraw/zinc/72/16/16/570721616.db2.gz QOSQEVMEQRHQLW-HXUWFJFHSA-N 1 1 371.481 4.151 40 0 FIABMO Cc1ccc(C[N@@H+](Cc2c[nH]nc2-c2cccs2)C[C@@H]2CCCO2)o1 ZINC000012147088 570722509 /nfs/dbraw/zinc/72/25/09/570722509.db2.gz HRRMRSAYQDZDOI-INIZCTEOSA-N 1 1 357.479 4.221 40 0 FIABMO Cc1ccc(C[N@H+](Cc2c[nH]nc2-c2cccs2)C[C@@H]2CCCO2)o1 ZINC000012147088 570722512 /nfs/dbraw/zinc/72/25/12/570722512.db2.gz HRRMRSAYQDZDOI-INIZCTEOSA-N 1 1 357.479 4.221 40 0 FIABMO Cc1ccc(C[N@@H+](Cc2c[nH]nc2-c2cccs2)C[C@H]2CCCO2)o1 ZINC000012147089 570722804 /nfs/dbraw/zinc/72/28/04/570722804.db2.gz HRRMRSAYQDZDOI-MRXNPFEDSA-N 1 1 357.479 4.221 40 0 FIABMO Cc1ccc(C[N@H+](Cc2c[nH]nc2-c2cccs2)C[C@H]2CCCO2)o1 ZINC000012147089 570722807 /nfs/dbraw/zinc/72/28/07/570722807.db2.gz HRRMRSAYQDZDOI-MRXNPFEDSA-N 1 1 357.479 4.221 40 0 FIABMO COc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2ccc(F)c(F)c2)C3)cc1 ZINC000012361651 570738774 /nfs/dbraw/zinc/73/87/74/570738774.db2.gz UXVXOUIGTMSEAE-VSOVRNOCSA-N 1 1 373.443 4.093 40 0 FIABMO CC[N@@H+](C)[C@@H]1CN(C(=O)c2cccc3cccnc32)C2(C1)CCCCC2 ZINC000019704014 570857153 /nfs/dbraw/zinc/85/71/53/570857153.db2.gz WFDBYTRXIPMTHK-SFHVURJKSA-N 1 1 351.494 4.104 40 0 FIABMO CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000019019531 570879363 /nfs/dbraw/zinc/87/93/63/570879363.db2.gz NLIMSVDJUDMWHZ-BJLQDIEVSA-N 1 1 374.937 4.238 40 0 FIABMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H](c3nc(C)n4ccccc34)C2)c1 ZINC000019240665 570884092 /nfs/dbraw/zinc/88/40/92/570884092.db2.gz DKWMRFTYLCZNCT-QGZVFWFLSA-N 1 1 365.477 4.040 40 0 FIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000019288207 570884728 /nfs/dbraw/zinc/88/47/28/570884728.db2.gz LKIDJKBJZCSGKL-OAQYLSRUSA-N 1 1 373.500 4.335 40 0 FIABMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000019454271 570889648 /nfs/dbraw/zinc/88/96/48/570889648.db2.gz XSINIWNVHMKVNN-IRXDYDNUSA-N 1 1 373.472 4.024 40 0 FIABMO Cc1[nH+]ccn1CCCC(=O)Nc1nc(-c2ccc(F)c(C)c2)cs1 ZINC000019570843 570894667 /nfs/dbraw/zinc/89/46/67/570894667.db2.gz UQCUULWFHJKAGH-UHFFFAOYSA-N 1 1 358.442 4.181 40 0 FIABMO COc1ccc([C@@H]2CCC[N@H+]2Cc2c(C)nc3c(C)cccn23)cc1OC ZINC000019658980 570896825 /nfs/dbraw/zinc/89/68/25/570896825.db2.gz FAVGLHLLQACRIO-SFHVURJKSA-N 1 1 365.477 4.305 40 0 FIABMO Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCC[N@H+]2Cc2ccnn2C)n1 ZINC000019691992 570898826 /nfs/dbraw/zinc/89/88/26/570898826.db2.gz ZMSHCSFFANIVCW-JOCHJYFZSA-N 1 1 364.468 4.191 40 0 FIABMO Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCC[N@@H+]2Cc2ccnn2C)n1 ZINC000019691992 570898831 /nfs/dbraw/zinc/89/88/31/570898831.db2.gz ZMSHCSFFANIVCW-JOCHJYFZSA-N 1 1 364.468 4.191 40 0 FIABMO CC(C)Nc1n[nH]c2nc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)ccc12 ZINC000019742879 570901826 /nfs/dbraw/zinc/90/18/26/570901826.db2.gz FOKSYEFKGKYJMU-SFHVURJKSA-N 1 1 363.509 4.200 40 0 FIABMO CC(C)Nc1[nH]nc2nc([C@H]3CCC[N@H+](CCc4ccccc4)C3)ccc21 ZINC000019742879 570901828 /nfs/dbraw/zinc/90/18/28/570901828.db2.gz FOKSYEFKGKYJMU-SFHVURJKSA-N 1 1 363.509 4.200 40 0 FIABMO CC(C)Nc1[nH]nc2nc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)ccc21 ZINC000019742879 570901829 /nfs/dbraw/zinc/90/18/29/570901829.db2.gz FOKSYEFKGKYJMU-SFHVURJKSA-N 1 1 363.509 4.200 40 0 FIABMO CC(C)Nc1n[nH]c2nc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)ccc12 ZINC000019742877 570901834 /nfs/dbraw/zinc/90/18/34/570901834.db2.gz FOKSYEFKGKYJMU-GOSISDBHSA-N 1 1 363.509 4.200 40 0 FIABMO CC(C)Nc1[nH]nc2nc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)ccc21 ZINC000019742877 570901836 /nfs/dbraw/zinc/90/18/36/570901836.db2.gz FOKSYEFKGKYJMU-GOSISDBHSA-N 1 1 363.509 4.200 40 0 FIABMO CC(C)Nc1[nH]nc2nc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)ccc21 ZINC000019742877 570901837 /nfs/dbraw/zinc/90/18/37/570901837.db2.gz FOKSYEFKGKYJMU-GOSISDBHSA-N 1 1 363.509 4.200 40 0 FIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)SCc2ccccc2)cc1 ZINC000022523847 570945417 /nfs/dbraw/zinc/94/54/17/570945417.db2.gz GGWMPMGIFKYDMS-INIZCTEOSA-N 1 1 365.502 4.119 40 0 FIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000225449986 571036305 /nfs/dbraw/zinc/03/63/05/571036305.db2.gz GIFXBTACOVKAKL-UHFFFAOYSA-N 1 1 374.872 4.460 40 0 FIABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(Cl)cc2)cc1 ZINC000225456248 571037031 /nfs/dbraw/zinc/03/70/31/571037031.db2.gz CRFDPIHJFJTMPD-UHFFFAOYSA-N 1 1 356.882 4.321 40 0 FIABMO Cn1cc(CN2CCC[C@@H]2c2[nH+]cn3cc(-c4cccs4)ccc23)cn1 ZINC000306141763 571041800 /nfs/dbraw/zinc/04/18/00/571041800.db2.gz WFRCSWMDUCTBJZ-QGZVFWFLSA-N 1 1 363.490 4.133 40 0 FIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1cccc(OC(C)C)c1 ZINC000225583337 571047527 /nfs/dbraw/zinc/04/75/27/571047527.db2.gz LHZQJWWGHUWQHO-SFHVURJKSA-N 1 1 363.571 4.415 40 0 FIABMO CCOC(C)(C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225647862 571052605 /nfs/dbraw/zinc/05/26/05/571052605.db2.gz YGLQFVSWJUOHAV-KRWDZBQOSA-N 1 1 362.514 4.084 40 0 FIABMO COc1ccc([C@@H]2C[C@@](C)([NH+]3CCCC3)Oc3cc4c(cc32)OCO4)cc1 ZINC000031430139 571054510 /nfs/dbraw/zinc/05/45/10/571054510.db2.gz LCJBLLVQLVLEMH-AVRDEDQJSA-N 1 1 367.445 4.150 40 0 FIABMO COc1cccc([C@@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@@H]2C)OCO4)c1 ZINC000031860856 571056146 /nfs/dbraw/zinc/05/61/46/571056146.db2.gz NRMLCSNFBPYZRW-ZLUZWTFRSA-N 1 1 367.445 4.006 40 0 FIABMO O=C1CC2(CC[NH+](Cc3ccccc3F)CC2)Oc2ccc(Cl)cc21 ZINC000225821638 571070545 /nfs/dbraw/zinc/07/05/45/571070545.db2.gz IBNILXIZBZGDKH-UHFFFAOYSA-N 1 1 359.828 4.479 40 0 FIABMO C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030943635 571077714 /nfs/dbraw/zinc/07/77/14/571077714.db2.gz XEFRVLZQVPSNCK-UGKGYDQZSA-N 1 1 350.506 4.036 40 0 FIABMO CCO[C@](C)(C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260816787 571123722 /nfs/dbraw/zinc/12/37/22/571123722.db2.gz QGCZSMREDLHKSB-VGSWGCGISA-N 1 1 374.525 4.084 40 0 FIABMO Cc1cccnc1Nc1ccc([C@@H]2C[N@H+](CCc3ccccc3)CCO2)nc1 ZINC000257212138 571150638 /nfs/dbraw/zinc/15/06/38/571150638.db2.gz CCBSIRGEROIREI-QFIPXVFZSA-N 1 1 374.488 4.145 40 0 FIABMO Cc1cccnc1Nc1ccc([C@@H]2C[N@@H+](CCc3ccccc3)CCO2)nc1 ZINC000257212138 571150641 /nfs/dbraw/zinc/15/06/41/571150641.db2.gz CCBSIRGEROIREI-QFIPXVFZSA-N 1 1 374.488 4.145 40 0 FIABMO COc1cccc(Cc2cc(C)nc([C@H]3C[N@H+](CC(C)C)CCO3)c2)c1 ZINC000257224485 571151856 /nfs/dbraw/zinc/15/18/56/571151856.db2.gz FBZORQSTFCOXKN-JOCHJYFZSA-N 1 1 354.494 4.019 40 0 FIABMO COc1cccc(Cc2cc(C)nc([C@H]3C[N@@H+](CC(C)C)CCO3)c2)c1 ZINC000257224485 571151857 /nfs/dbraw/zinc/15/18/57/571151857.db2.gz FBZORQSTFCOXKN-JOCHJYFZSA-N 1 1 354.494 4.019 40 0 FIABMO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@@H+](Cc3ncccc3F)C2)nc1 ZINC000257310745 571160854 /nfs/dbraw/zinc/16/08/54/571160854.db2.gz UGIUOGBFSVHGEX-QGZVFWFLSA-N 1 1 366.440 4.267 40 0 FIABMO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4ccco4)C3)cc(C(F)(F)F)n2n1 ZINC000072340867 571179275 /nfs/dbraw/zinc/17/92/75/571179275.db2.gz YNQLZQQNFWVGKI-ZDUSSCGKSA-N 1 1 364.371 4.029 40 0 FIABMO COc1ccc(-c2cccc([C@@H]3CCC[N@H+](C4CCOCC4)C3)n2)cc1 ZINC000072350080 571181476 /nfs/dbraw/zinc/18/14/76/571181476.db2.gz BOJHEGJNVAJHBZ-GOSISDBHSA-N 1 1 352.478 4.116 40 0 FIABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000072350261 571181754 /nfs/dbraw/zinc/18/17/54/571181754.db2.gz ZAXLACUKGAEPJD-FQEVSTJZSA-N 1 1 372.516 4.489 40 0 FIABMO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000072350285 571181785 /nfs/dbraw/zinc/18/17/85/571181785.db2.gz QNIMHLQCQGRHHO-HXUWFJFHSA-N 1 1 360.505 4.268 40 0 FIABMO CCn1ccnc1C[N@H+]1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000072350285 571181786 /nfs/dbraw/zinc/18/17/86/571181786.db2.gz QNIMHLQCQGRHHO-HXUWFJFHSA-N 1 1 360.505 4.268 40 0 FIABMO Cc1cc(Cc2ccccc2)cc([C@H]2CCC[N@H+](Cc3ccnn3C)C2)n1 ZINC000072354103 571182151 /nfs/dbraw/zinc/18/21/51/571182151.db2.gz ZSMJKHDLBGVVAY-NRFANRHFSA-N 1 1 360.505 4.094 40 0 FIABMO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@H+]2CCc2ccccc2)n1 ZINC000072354640 571182286 /nfs/dbraw/zinc/18/22/86/571182286.db2.gz AOEYGTLGFRMLTP-HXUWFJFHSA-N 1 1 362.452 4.245 40 0 FIABMO FC(F)(F)c1cccc(-c2noc([C@H]3CC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000072369960 571185122 /nfs/dbraw/zinc/18/51/22/571185122.db2.gz ATNIBGSMFCLVLI-HNNXBMFYSA-N 1 1 374.366 4.140 40 0 FIABMO Cc1cccnc1Nc1cncc([C@H]2CCC[N@H+]2CCc2ccccc2)n1 ZINC000072376238 571186165 /nfs/dbraw/zinc/18/61/65/571186165.db2.gz BQKCMCWFKXNITL-HXUWFJFHSA-N 1 1 359.477 4.303 40 0 FIABMO Cc1ccc(Nc2nccc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)nc1 ZINC000072377564 571186651 /nfs/dbraw/zinc/18/66/51/571186651.db2.gz BNWOQFZXWMGBAI-FQEVSTJZSA-N 1 1 373.504 4.346 40 0 FIABMO c1ccc(CCC[N@H+]2CCC[C@@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000072377917 571186994 /nfs/dbraw/zinc/18/69/94/571186994.db2.gz ZJTDBHAXBNQBJR-HXUWFJFHSA-N 1 1 373.504 4.427 40 0 FIABMO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072379057 571187430 /nfs/dbraw/zinc/18/74/30/571187430.db2.gz NMOVLGNDHLNDOK-GOSISDBHSA-N 1 1 361.493 4.165 40 0 FIABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1 ZINC000072390078 571189544 /nfs/dbraw/zinc/18/95/44/571189544.db2.gz OSQUWYWXPCTAJM-OAHLLOKOSA-N 1 1 355.463 4.186 40 0 FIABMO Cc1c2ccccc2oc1C[N@H+]1C[C@@H]2CC[C@@](O)(c3ncccc3C)[C@@H]2C1 ZINC000072392541 571189934 /nfs/dbraw/zinc/18/99/34/571189934.db2.gz WUSNPUKCCLSMGL-GWJPWWOOSA-N 1 1 362.473 4.174 40 0 FIABMO COCCC[N@@H+](Cc1c2cccnc2[nH]c1C(C)C)Cc1cccnc1 ZINC000072393724 571190312 /nfs/dbraw/zinc/19/03/12/571190312.db2.gz ZCOHXLSOAARCCJ-UHFFFAOYSA-N 1 1 352.482 4.120 40 0 FIABMO CC(C)CC[N@H+]1CCC[C@@]2(CCCN2C(=O)c2cc(C(C)C)on2)CC1 ZINC000585100605 571221289 /nfs/dbraw/zinc/22/12/89/571221289.db2.gz PJIDYGFFQPGGOZ-OAQYLSRUSA-N 1 1 361.530 4.305 40 0 FIABMO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@@H+](CC1CCCCC1)CC2 ZINC000585099856 571221952 /nfs/dbraw/zinc/22/19/52/571221952.db2.gz KKUNYQAQYCKSKH-JOCHJYFZSA-N 1 1 373.541 4.219 40 0 FIABMO COc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCCC1 ZINC000004887815 204173406 /nfs/dbraw/zinc/17/34/06/204173406.db2.gz BJRCVQCNUFNUGY-JLYLLQBASA-N 1 1 356.510 4.143 40 0 FIABMO CC(C)[N@H+]1CCC[C@H]1c1nc(-c2ccc(OC3CCCCC3)nc2)no1 ZINC000035425530 204266725 /nfs/dbraw/zinc/26/67/25/204266725.db2.gz WUKKUXMCGJUKMI-KRWDZBQOSA-N 1 1 356.470 4.388 40 0 biogenic,in-vitro FIABMO COc1ccc(F)c(C[N@H+](CCCn2ccnc2)Cc2ccc(C)o2)c1 ZINC000036740282 205021656 /nfs/dbraw/zinc/02/16/56/205021656.db2.gz KAKXVKDJZUGWQD-UHFFFAOYSA-N 1 1 357.429 4.025 40 0 FIABMO COc1ccc(F)c(C[N@@H+](CCCn2ccnc2)Cc2ccc(C)o2)c1 ZINC000036740282 205021661 /nfs/dbraw/zinc/02/16/61/205021661.db2.gz KAKXVKDJZUGWQD-UHFFFAOYSA-N 1 1 357.429 4.025 40 0 FIABMO CC(C)C(NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)C(C)C ZINC000038849163 205042888 /nfs/dbraw/zinc/04/28/88/205042888.db2.gz SWVVNNVDRQZJMZ-KRWDZBQOSA-N 1 1 350.934 4.349 40 0 FIABMO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038833980 205042585 /nfs/dbraw/zinc/04/25/85/205042585.db2.gz UCCAWRSQLHHKCG-INIZCTEOSA-N 1 1 373.294 4.300 40 0 FIABMO O=C(NCCCc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044909196 205115388 /nfs/dbraw/zinc/11/53/88/205115388.db2.gz HAJMTEAQMXSXHK-FQEVSTJZSA-N 1 1 370.924 4.301 40 0 FIABMO Cc1c2ccccc2oc1-c1nnc2sc(C[NH+]3CCCCCC3)nn21 ZINC000096194443 205846758 /nfs/dbraw/zinc/84/67/58/205846758.db2.gz CTIAKLDDRCDIPV-UHFFFAOYSA-N 1 1 367.478 4.283 40 0 FIABMO COc1ccc(-c2nnc([C@H]3CC[N@@H+](CCCc4ccccc4)C3)o2)cc1 ZINC000049170115 206085550 /nfs/dbraw/zinc/08/55/50/206085550.db2.gz XRRZNVZAHCTUPC-IBGZPJMESA-N 1 1 363.461 4.167 40 0 biogenic,in-vitro FIABMO Fc1ccc(-c2noc([C@@H]3CCC[N@H+]3CCCc3ccccc3)n2)nc1 ZINC000049155375 206085880 /nfs/dbraw/zinc/08/58/80/206085880.db2.gz LTCHHTTVJQDJJU-SFHVURJKSA-N 1 1 352.413 4.040 40 0 biogenic,in-vitro FIABMO COc1ccccc1-c1nnc([C@H]2CC[N@@H+](CCCc3ccccc3)C2)o1 ZINC000049170016 206086326 /nfs/dbraw/zinc/08/63/26/206086326.db2.gz IQFGVBKLPVBIAH-SFHVURJKSA-N 1 1 363.461 4.167 40 0 biogenic,in-vitro FIABMO c1[nH]c2ccccc2c1C[N@H+]1CC[C@H](c2nnc(Cc3ccccc3)o2)C1 ZINC000049169834 206086383 /nfs/dbraw/zinc/08/63/83/206086383.db2.gz LWGVCUPLEMQKAE-KRWDZBQOSA-N 1 1 358.445 4.131 40 0 biogenic,in-vitro FIABMO Cn1cc(C[N@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)c2ccccc21 ZINC000049169378 206086765 /nfs/dbraw/zinc/08/67/65/206086765.db2.gz INGCVSUBKDFJQD-KRWDZBQOSA-N 1 1 358.445 4.218 40 0 biogenic,in-vitro FIABMO Cc1cccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccco2)c1 ZINC000008578310 206217317 /nfs/dbraw/zinc/21/73/17/206217317.db2.gz VRFWIBANEXJTKA-AYHJJNSGSA-N 1 1 355.507 4.070 40 0 FIABMO FC(F)(F)c1cccc(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)c1 ZINC000013990465 206308346 /nfs/dbraw/zinc/30/83/46/206308346.db2.gz VSDHAOYZYVWTKD-GOSISDBHSA-N 1 1 350.384 4.282 40 0 FIABMO FC(F)(F)c1cccc(C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)c1 ZINC000013990465 206308351 /nfs/dbraw/zinc/30/83/51/206308351.db2.gz VSDHAOYZYVWTKD-GOSISDBHSA-N 1 1 350.384 4.282 40 0 FIABMO Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000226330481 132250603 /nfs/dbraw/zinc/25/06/03/132250603.db2.gz UMQCAEVTXHHGNO-OKILXGFUSA-N 1 1 355.457 4.451 40 0 FIABMO Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000226330481 132250605 /nfs/dbraw/zinc/25/06/05/132250605.db2.gz UMQCAEVTXHHGNO-OKILXGFUSA-N 1 1 355.457 4.451 40 0 FIABMO C[C@@H]1Cc2ccccc2CN1c1cc(C2CC2)[nH+]c(NCc2ccccc2)n1 ZINC000329045487 132372806 /nfs/dbraw/zinc/37/28/06/132372806.db2.gz TVTIUUTWAPKZRK-QGZVFWFLSA-N 1 1 370.500 4.339 40 0 FIABMO O=C(c1cccc(Cl)c1)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408607258 263480892 /nfs/dbraw/zinc/48/08/92/263480892.db2.gz KIAUHVOCZWDVKS-FQEVSTJZSA-N 1 1 354.881 4.003 40 0 FIABMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)s1 ZINC000096051151 570474573 /nfs/dbraw/zinc/47/45/73/570474573.db2.gz SKXVCJREEXPHRN-GOSISDBHSA-N 1 1 363.477 4.189 40 0 FIABMO c1csc(CN2CCC3(C[C@@H]([NH2+]CC4CC4)c4ccccc43)CC2)n1 ZINC000096079055 570474954 /nfs/dbraw/zinc/47/49/54/570474954.db2.gz VXBUUUPAWBPGNO-LJQANCHMSA-N 1 1 353.535 4.121 40 0 FIABMO c1csc(CN2CCC3(C[C@H]([NH2+]CC4CC4)c4ccccc43)CC2)n1 ZINC000096079056 570475193 /nfs/dbraw/zinc/47/51/93/570475193.db2.gz VXBUUUPAWBPGNO-IBGZPJMESA-N 1 1 353.535 4.121 40 0 FIABMO c1coc(CN[C@H]2CC3(CC[NH+](Cc4cccnc4)CC3)c3ccccc32)c1 ZINC000096241459 570479957 /nfs/dbraw/zinc/47/99/57/570479957.db2.gz UKEWFGIFROVAKO-QHCPKHFHSA-N 1 1 373.500 4.443 40 0 FIABMO c1coc(CN[C@@H]2CC3(CC[NH+](Cc4cccnc4)CC3)c3ccccc32)c1 ZINC000096241458 570480038 /nfs/dbraw/zinc/48/00/38/570480038.db2.gz UKEWFGIFROVAKO-HSZRJFAPSA-N 1 1 373.500 4.443 40 0 FIABMO [NH3+][C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227543 570535799 /nfs/dbraw/zinc/53/57/99/570535799.db2.gz UFEYVZRYSCCQAN-KBPBESRZSA-N 1 1 374.284 4.139 40 0 FIABMO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000260492725 570631080 /nfs/dbraw/zinc/63/10/80/570631080.db2.gz ONESPQPJKIGFOC-MJGOQNOKSA-N 1 1 366.933 4.268 40 0 FIABMO CSc1ccc(C[N@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119080 570720130 /nfs/dbraw/zinc/72/01/30/570720130.db2.gz ZVTKEBXJTREFMV-INIZCTEOSA-N 1 1 354.475 4.154 40 0 FIABMO COc1ccc(C[N@H+](Cc2c(C)oc3ccccc32)C[C@@H](C)O)cc1OC ZINC000012185523 570724905 /nfs/dbraw/zinc/72/49/05/570724905.db2.gz IGBGSHSQATVZLB-OAHLLOKOSA-N 1 1 369.461 4.141 40 0 FIABMO C[N@@H+](Cc1ccccc1OC[C@@H]1CCCO1)Cc1cccc2ncccc12 ZINC000012191747 570725852 /nfs/dbraw/zinc/72/58/52/570725852.db2.gz DNSLHXUKMRBATF-FQEVSTJZSA-N 1 1 362.473 4.425 40 0 FIABMO C[N@H+](Cc1cccc2ncccc12)Cc1cc(-c2ccccc2)c[nH]c1=O ZINC000012325988 570736734 /nfs/dbraw/zinc/73/67/34/570736734.db2.gz QRQNYFQUZLJIDA-UHFFFAOYSA-N 1 1 355.441 4.222 40 0 FIABMO Cc1nccc(-c2ccc(-c3noc(C[N@@H+]4[C@H](C)CCC[C@@H]4C)n3)cc2)n1 ZINC000012337080 570737822 /nfs/dbraw/zinc/73/78/22/570737822.db2.gz BSOJNMAWSBVCCP-GASCZTMLSA-N 1 1 363.465 4.265 40 0 FIABMO COc1ccccc1C[N@@H+]1CCCC[C@H]1c1[nH]ncc1-c1cc(C)no1 ZINC000019120969 570881047 /nfs/dbraw/zinc/88/10/47/570881047.db2.gz VNIDJMGYFLXELU-KRWDZBQOSA-N 1 1 352.438 4.109 40 0 FIABMO COc1ccccc1C[N@H+]1CCCC[C@H]1c1[nH]ncc1-c1cc(C)no1 ZINC000019120969 570881051 /nfs/dbraw/zinc/88/10/51/570881051.db2.gz VNIDJMGYFLXELU-KRWDZBQOSA-N 1 1 352.438 4.109 40 0 FIABMO O=C(C1CC1)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000019343528 570886091 /nfs/dbraw/zinc/88/60/91/570886091.db2.gz MBLYLWQQNAHIKO-GUDVDZBRSA-N 1 1 372.559 4.036 40 0 FIABMO Fc1ccc([C@@H]2COC[C@H]2[N@@H+](Cc2ccccc2)Cc2ccncc2)cc1 ZINC000019371527 570887930 /nfs/dbraw/zinc/88/79/30/570887930.db2.gz VFXQBFNNMXOAEL-XZOQPEGZSA-N 1 1 362.448 4.406 40 0 FIABMO O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]21 ZINC000019406583 570888726 /nfs/dbraw/zinc/88/87/26/570888726.db2.gz OYRAKWUKNGTAMK-ACRUOGEOSA-N 1 1 372.578 4.355 40 0 FIABMO COc1cc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)cc(OC)c1 ZINC000019595152 570895588 /nfs/dbraw/zinc/89/55/88/570895588.db2.gz LWGAUOJKCBHMIK-QGZVFWFLSA-N 1 1 360.504 4.295 40 0 FIABMO O=C(Nc1ccccc1OCc1ccccn1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000019660112 570897370 /nfs/dbraw/zinc/89/73/70/570897370.db2.gz YADYIDRUQOHUHM-HXUWFJFHSA-N 1 1 365.477 4.006 40 0 FIABMO Cc1cc(Cc2ccccc2C)cc([C@H]2CCC[N@H+]2Cc2ccnn2C)n1 ZINC000019691994 570898761 /nfs/dbraw/zinc/89/87/61/570898761.db2.gz QOECCPVRPCVOSB-HSZRJFAPSA-N 1 1 360.505 4.360 40 0 FIABMO Cc1cc(Cc2ccccc2C)cc([C@H]2CCC[N@@H+]2Cc2ccnn2C)n1 ZINC000019691994 570898764 /nfs/dbraw/zinc/89/87/64/570898764.db2.gz QOECCPVRPCVOSB-HSZRJFAPSA-N 1 1 360.505 4.360 40 0 FIABMO CC(C)c1[nH+]ccn1CCCn1cncc1-c1ccc2c(c1)CCCO2 ZINC000019714081 570899346 /nfs/dbraw/zinc/89/93/46/570899346.db2.gz DBHDREJJBRZYHZ-UHFFFAOYSA-N 1 1 350.466 4.285 40 0 FIABMO C[NH+](C)CCNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022075035 570939378 /nfs/dbraw/zinc/93/93/78/570939378.db2.gz FPTJGQMZRXVFSI-UHFFFAOYSA-N 1 1 353.293 4.224 40 0 FIABMO CC(C)C(NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)C(C)C ZINC000039762999 571023485 /nfs/dbraw/zinc/02/34/85/571023485.db2.gz NJEDVPCQYODPCH-UHFFFAOYSA-N 1 1 368.924 4.488 40 0 FIABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CCc2ccc(Cl)c(Cl)c2)C1 ZINC000225338108 571029226 /nfs/dbraw/zinc/02/92/26/571029226.db2.gz BLIOYJIYGRAGJC-CQSZACIVSA-N 1 1 357.325 4.164 40 0 FIABMO 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CSc1ccccc1C(=O)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408613644 570582173 /nfs/dbraw/zinc/58/21/73/570582173.db2.gz ZFICBHOJQOTCJU-LJQANCHMSA-N 1 1 366.530 4.071 40 0 FIABMO C[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H](O)c1ccc2c(c1)CCCN2C(=O)C(C)(C)C ZINC000036058550 570693850 /nfs/dbraw/zinc/69/38/50/570693850.db2.gz AOWYYPBYAPIMFX-FVJLSDCUSA-N 1 1 372.553 4.166 40 0 FIABMO O=C1CCCN1CC[C@@H]1CCCC[N@@H+]1CC1(c2ccc(Cl)cc2)CC1 ZINC000012364609 570739241 /nfs/dbraw/zinc/73/92/41/570739241.db2.gz WWFFRYGFAUPCII-IBGZPJMESA-N 1 1 360.929 4.239 40 0 FIABMO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000044848421 570867975 /nfs/dbraw/zinc/86/79/75/570867975.db2.gz MOBUYNKVVRHSQH-WOJBJXKFSA-N 1 1 360.542 4.232 40 0 FIABMO Cn1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)no2)cn1 ZINC000019290699 570884768 /nfs/dbraw/zinc/88/47/68/570884768.db2.gz DSMHUVRHIWQJOG-IBGZPJMESA-N 1 1 354.429 4.332 40 0 FIABMO CC[NH+]1CCC2(CC1)CN(Cc1ccsc1)Cc1cc(C)ccc1O2 ZINC000019527064 570892124 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Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C=C/c1ccccc1Cl ZINC000020112156 527383831 /nfs/dbraw/zinc/38/38/31/527383831.db2.gz VVIHBJMSNFZSSV-ZHACJKMWSA-N 1 1 351.837 4.164 40 0 FIABMO O=C1OC[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)Cc3ccc(F)cc3N12 ZINC000225486371 560042645 /nfs/dbraw/zinc/04/26/45/560042645.db2.gz CUIFTBIMJKFRNR-KRWDZBQOSA-N 1 1 360.816 4.210 40 0 biogenic,in-vitro FIABMO O=C1OC[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)Cc3ccc(F)cc3N12 ZINC000225486371 560042646 /nfs/dbraw/zinc/04/26/46/560042646.db2.gz CUIFTBIMJKFRNR-KRWDZBQOSA-N 1 1 360.816 4.210 40 0 biogenic,in-vitro FIABMO CC[NH+](CC)CCNCc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000022074934 568203600 /nfs/dbraw/zinc/20/36/00/568203600.db2.gz MWFDFEHKUAQSBZ-UHFFFAOYSA-N 1 1 356.510 4.014 40 0 FIABMO CC[NH+](CC)CCNCc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000022074936 568203603 /nfs/dbraw/zinc/20/36/03/568203603.db2.gz OLJBUDZOGJTQJB-UHFFFAOYSA-N 1 1 356.510 4.014 40 0 FIABMO O=C(NCC1=CCCCC1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000223414455 568652372 /nfs/dbraw/zinc/65/23/72/568652372.db2.gz ZCAVENGYJDCSCZ-UHFFFAOYSA-N 1 1 360.501 4.475 40 0 FIABMO Cc1[nH+]c(N(C)C)ccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072218771 570534534 /nfs/dbraw/zinc/53/45/34/570534534.db2.gz NZNIIVQAXRBYAV-LJQANCHMSA-N 1 1 353.466 4.320 40 0 FIABMO O=C(/C=C/c1ccc(-c2ccccc2)o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408572281 570557190 /nfs/dbraw/zinc/55/71/90/570557190.db2.gz IFKNIKQNWNFJDB-WYMLVPIESA-N 1 1 372.468 4.304 40 0 FIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1C ZINC000260449457 570626880 /nfs/dbraw/zinc/62/68/80/570626880.db2.gz YAWARCUBOVDMAF-PMACEKPBSA-N 1 1 360.542 4.150 40 0 FIABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3C)cc2Cl)CC1 ZINC000005644277 570632718 /nfs/dbraw/zinc/63/27/18/570632718.db2.gz SVLRJGLQOXFQPR-UHFFFAOYSA-N 1 1 357.885 4.043 40 0 FIABMO O=c1oc2ccc(Cl)cc2n1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000013266967 570776046 /nfs/dbraw/zinc/77/60/46/570776046.db2.gz PGVQNNHTKIHVNH-UHFFFAOYSA-N 1 1 360.816 4.224 40 0 FIABMO CC(C)(C)c1ccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013547791 570779116 /nfs/dbraw/zinc/77/91/16/570779116.db2.gz SYBREFLVESSWGV-UHFFFAOYSA-N 1 1 352.547 4.477 40 0 FIABMO CC[NH+]1CCN(C(=O)/C(=C/c2ccccc2Cl)c2ccccc2)CC1 ZINC000006953198 570786324 /nfs/dbraw/zinc/78/63/24/570786324.db2.gz BATSXDRCTNUYTL-KNTRCKAVSA-N 1 1 354.881 4.045 40 0 FIABMO O=c1c(C[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)coc2ccccc12 ZINC000013993904 570840533 /nfs/dbraw/zinc/84/05/33/570840533.db2.gz UMJDRBHCOJNTDW-IBGZPJMESA-N 1 1 367.420 4.113 40 0 FIABMO O=c1c(C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)coc2ccccc12 ZINC000013993904 570840534 /nfs/dbraw/zinc/84/05/34/570840534.db2.gz UMJDRBHCOJNTDW-IBGZPJMESA-N 1 1 367.420 4.113 40 0 FIABMO Fc1cccc(C[N@H+](Cc2ccncc2)Cc2ccc3c(c2)OCO3)c1 ZINC000013989729 570840713 /nfs/dbraw/zinc/84/07/13/570840713.db2.gz AMJAHIYNLORIIB-UHFFFAOYSA-N 1 1 350.393 4.152 40 0 FIABMO Fc1cccc(C[N@@H+](Cc2ccncc2)Cc2ccc3c(c2)OCO3)c1 ZINC000013989729 570840719 /nfs/dbraw/zinc/84/07/19/570840719.db2.gz 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c1[nH]c2ccccc2c1Cc1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000049169730 209334457 /nfs/dbraw/zinc/33/44/57/209334457.db2.gz LIEUWMRNOQRYGV-KRWDZBQOSA-N 1 1 358.445 4.131 40 0 biogenic,in-vitro FIABMO Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@@H+](Cc2ccccc2)C1 ZINC000096244647 209143948 /nfs/dbraw/zinc/14/39/48/209143948.db2.gz VSFCFNWRFZXQNB-DEOSSOPVSA-N 1 1 371.484 4.126 40 0 FIABMO Cc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cc1C ZINC000096215469 209135495 /nfs/dbraw/zinc/13/54/95/209135495.db2.gz DJBYPZNCSZWCHH-QHCPKHFHSA-N 1 1 356.554 4.018 40 0 FIABMO Cc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cc1C ZINC000096215469 209135498 /nfs/dbraw/zinc/13/54/98/209135498.db2.gz DJBYPZNCSZWCHH-QHCPKHFHSA-N 1 1 356.554 4.018 40 0 FIABMO O=C(CCc1ccccc1)N1CCC[C@@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000096214659 209136208 /nfs/dbraw/zinc/13/62/08/209136208.db2.gz SOZLYFKSVLWZOH-XMMPIXPASA-N 1 1 362.517 4.276 40 0 FIABMO Fc1ccccc1C[N@H+]1CCC[C@]2(C[C@H](OCc3ccccc3)CO2)C1 ZINC000096073569 209107938 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354.429 4.332 40 0 FIABMO Cn1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)cn1 ZINC000012186583 207345491 /nfs/dbraw/zinc/34/54/91/207345491.db2.gz IRLXDISLUDWTHL-IBGZPJMESA-N 1 1 354.429 4.332 40 0 FIABMO COc1ccc2[nH]cc([C@H]3CC[N@@H+](Cc4cccc(OC)c4OC)C3)c2c1 ZINC000012329478 207363078 /nfs/dbraw/zinc/36/30/78/207363078.db2.gz BAJQQEPHDNRXPY-HNNXBMFYSA-N 1 1 366.461 4.183 40 0 FIABMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1)c1cccs1 ZINC000035289778 208121175 /nfs/dbraw/zinc/12/11/75/208121175.db2.gz UTVULYZHEJPRJP-AYHJJNSGSA-N 1 1 358.482 4.203 40 0 FIABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038834223 208206332 /nfs/dbraw/zinc/20/63/32/208206332.db2.gz SGAUYZKONJXAOH-MRXNPFEDSA-N 1 1 358.869 4.199 40 0 FIABMO O=C(Nc1cccc(Br)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038833920 208206395 /nfs/dbraw/zinc/20/63/95/208206395.db2.gz MEDBCWDZWKZKCZ-MRXNPFEDSA-N 1 1 373.294 4.300 40 0 FIABMO CC(C)CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038859114 208207662 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365.481 4.086 40 0 FIABMO COC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@H]3C)cc2)CCCC1 ZINC000260814464 571123670 /nfs/dbraw/zinc/12/36/70/571123670.db2.gz ISAUOBOSQCFHNR-GOSISDBHSA-N 1 1 374.525 4.228 40 0 FIABMO COc1cccc(Cc2cnc([C@@H]3CC[N@@H+](Cc4scnc4C)C3)o2)c1 ZINC000257324002 571161892 /nfs/dbraw/zinc/16/18/92/571161892.db2.gz WMTOMTRORHELOB-MRXNPFEDSA-N 1 1 369.490 4.028 40 0 FIABMO CCn1ccnc1C[N@H+]1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072350277 571181751 /nfs/dbraw/zinc/18/17/51/571181751.db2.gz DYKMXGWQVCSVKC-SFHVURJKSA-N 1 1 364.468 4.484 40 0 FIABMO FC(F)(F)c1cccc(-c2noc([C@H]3CC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072369958 571185159 /nfs/dbraw/zinc/18/51/59/571185159.db2.gz YEEURVYXFMZFAT-HNNXBMFYSA-N 1 1 374.366 4.140 40 0 FIABMO Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCC[N@H+]2Cc2ccnn2C)n1 ZINC000072372458 571185413 /nfs/dbraw/zinc/18/54/13/571185413.db2.gz BJSAEERPPZMOHT-QFIPXVFZSA-N 1 1 364.468 4.191 40 0 FIABMO Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCC[N@@H+]2Cc2ccnn2C)n1 ZINC000072372458 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/nfs/dbraw/zinc/00/78/48/208007848.db2.gz KDQXRBIBHZYIGR-SFHVURJKSA-N 1 1 354.881 4.141 40 0 FIABMO C[C@H]1[C@@H](c2ccc(F)cc2)c2cc3c(cc2O[C@@H]1[NH+]1CCCC1)OCO3 ZINC000031860861 208020726 /nfs/dbraw/zinc/02/07/26/208020726.db2.gz WTOYXTZDCYEBQM-ZEWGMFERSA-N 1 1 355.409 4.137 40 0 FIABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cccc3ncccc23)o1 ZINC000036740255 208172400 /nfs/dbraw/zinc/17/24/00/208172400.db2.gz XJFKVCXMFNZYII-UHFFFAOYSA-N 1 1 360.461 4.425 40 0 FIABMO COc1cc2ccccc2cc1C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000038755974 208206023 /nfs/dbraw/zinc/20/60/23/208206023.db2.gz DNJWFXHUDZHPMF-UHFFFAOYSA-N 1 1 371.440 4.273 40 0 FIABMO CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038834352 208204981 /nfs/dbraw/zinc/20/49/81/208204981.db2.gz MIKSYOYJGICRDN-QGZVFWFLSA-N 1 1 356.441 4.075 40 0 FIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2Br)cc1 ZINC000038834922 208205931 /nfs/dbraw/zinc/20/59/31/208205931.db2.gz SXGDYSFEFLCUCC-UHFFFAOYSA-N 1 1 370.250 4.255 40 0 FIABMO Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044912260 208323298 /nfs/dbraw/zinc/32/32/98/208323298.db2.gz IBSFESXMKANTFX-IBGZPJMESA-N 1 1 356.897 4.177 40 0 FIABMO Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000226330486 132250370 /nfs/dbraw/zinc/25/03/70/132250370.db2.gz UMQCAEVTXHHGNO-ZIAGYGMSSA-N 1 1 355.457 4.451 40 0 FIABMO C[C@H]1Cc2ccccc2CN1c1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329008493 132372427 /nfs/dbraw/zinc/37/24/27/132372427.db2.gz LRGQBEHJFMUENB-INIZCTEOSA-N 1 1 362.521 4.472 40 0 FIABMO CCOc1cccc(C[NH2+]CCN(CC)CC)c1OCc1ccccc1 ZINC000022076901 263385481 /nfs/dbraw/zinc/38/54/81/263385481.db2.gz GEWCRQSFOBSRJH-UHFFFAOYSA-N 1 1 356.510 4.096 40 0 FIABMO COc1ccc([C@@H]2C[C@](C)([NH+]3CCCC3)Oc3cc4c(cc32)OCO4)cc1 ZINC000031430144 263391798 /nfs/dbraw/zinc/39/17/98/263391798.db2.gz LCJBLLVQLVLEMH-PGRDOPGGSA-N 1 1 367.445 4.150 40 0 FIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCSc2ccc(C)cc2)cc1 ZINC000020110921 527370856 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FIABMO CC[NH+]1CCN(C(=S)c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000408572715 570557639 /nfs/dbraw/zinc/55/76/39/570557639.db2.gz HVAGSCSDKXAQDG-UHFFFAOYSA-N 1 1 374.937 4.232 40 0 FIABMO O=C(c1ccc(Cl)cc1)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408607319 570578442 /nfs/dbraw/zinc/57/84/42/570578442.db2.gz KUQVQQWXJFKEDN-HXUWFJFHSA-N 1 1 354.881 4.003 40 0 FIABMO O=C(c1cccc(Cl)c1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000408603057 570579935 /nfs/dbraw/zinc/57/99/35/570579935.db2.gz ALPOQWRMWANZGG-UHFFFAOYSA-N 1 1 354.881 4.003 40 0 FIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000260492673 570630505 /nfs/dbraw/zinc/63/05/05/570630505.db2.gz IAUGYJAESYPHNB-OALUTQOASA-N 1 1 360.542 4.348 40 0 FIABMO Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccco2)cc1 ZINC000004888043 570672602 /nfs/dbraw/zinc/67/26/02/570672602.db2.gz ZNIGMOYLOKPQJM-AYHJJNSGSA-N 1 1 373.497 4.291 40 0 FIABMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1)c1ccccc1F ZINC000004888076 570672804 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FIABMO Cc1ccc([C@@H](Cc2ccsc2)[NH2+]Cc2nc3ccccc3n2C)nc1 ZINC000019215654 570881711 /nfs/dbraw/zinc/88/17/11/570881711.db2.gz SXUODWXEJDGDBS-LJQANCHMSA-N 1 1 362.502 4.412 40 0 FIABMO CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]21 ZINC000019235210 570882992 /nfs/dbraw/zinc/88/29/92/570882992.db2.gz CIBXAJZYILGYKJ-VABKMULXSA-N 1 1 354.538 4.212 40 0 FIABMO C[C@H]1CN(CCCOC(=O)Nc2ccc(Cl)cc2)CC[N@H+]1C(C)(C)C ZINC000019365092 570887414 /nfs/dbraw/zinc/88/74/14/570887414.db2.gz ADBGGFMEKSYLLE-HNNXBMFYSA-N 1 1 367.921 4.083 40 0 FIABMO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]21 ZINC000019368994 570887995 /nfs/dbraw/zinc/88/79/95/570887995.db2.gz KLVFPUGROYMSAK-ACRUOGEOSA-N 1 1 366.530 4.088 40 0 FIABMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000019454273 570889732 /nfs/dbraw/zinc/88/97/32/570889732.db2.gz XSINIWNVHMKVNN-SJORKVTESA-N 1 1 373.472 4.024 40 0 FIABMO CCc1ncc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)c(C)s2)cn1 ZINC000019523461 570891097 /nfs/dbraw/zinc/89/10/97/570891097.db2.gz XLCBEMAZCYQAJK-INIZCTEOSA-N 1 1 358.536 4.247 40 0 FIABMO COc1ccc([C@@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@H]2c2cc[nH]n2)cc1 ZINC000019557229 570892790 /nfs/dbraw/zinc/89/27/90/570892790.db2.gz PIBRAUCGCLZXLE-ZWKOTPCHSA-N 1 1 369.415 4.080 40 0 FIABMO O=C(Nc1ccccc1OCc1ccccn1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000019660110 570897245 /nfs/dbraw/zinc/89/72/45/570897245.db2.gz YADYIDRUQOHUHM-FQEVSTJZSA-N 1 1 365.477 4.006 40 0 FIABMO C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)Cc2ccc3[nH]cnc3c2)c1 ZINC000019662481 570897849 /nfs/dbraw/zinc/89/78/49/570897849.db2.gz RNJRIKYFABYWOX-INIZCTEOSA-N 1 1 362.477 4.119 40 0 FIABMO C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)Cc2ccc3nc[nH]c3c2)c1 ZINC000019662481 570897851 /nfs/dbraw/zinc/89/78/51/570897851.db2.gz RNJRIKYFABYWOX-INIZCTEOSA-N 1 1 362.477 4.119 40 0 FIABMO C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)Cc2ccc3nc[nH]c3c2)c1 ZINC000019662481 570897854 /nfs/dbraw/zinc/89/78/54/570897854.db2.gz RNJRIKYFABYWOX-INIZCTEOSA-N 1 1 362.477 4.119 40 0 FIABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2ccccc2cc1OC ZINC000020491873 570917960 /nfs/dbraw/zinc/91/79/60/570917960.db2.gz ANTQYNZBJCLIAU-LJQANCHMSA-N 1 1 354.494 4.233 40 0 FIABMO C[NH+](C)CCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022075815 570939361 /nfs/dbraw/zinc/93/93/61/570939361.db2.gz BPHVDJCLEMJISP-UHFFFAOYSA-N 1 1 353.293 4.224 40 0 FIABMO CCOc1ccccc1CNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000022510944 570944628 /nfs/dbraw/zinc/94/46/28/570944628.db2.gz YGKFXHUFWGGCDG-SFHVURJKSA-N 1 1 366.505 4.247 40 0 FIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1 ZINC000225299014 571026859 /nfs/dbraw/zinc/02/68/59/571026859.db2.gz JKSPPLIKMPKGEG-UHFFFAOYSA-N 1 1 353.853 4.165 40 0 FIABMO CC(C)(Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000225363976 571030755 /nfs/dbraw/zinc/03/07/55/571030755.db2.gz JFKFLHHFEJAJQQ-FQEVSTJZSA-N 1 1 368.496 4.175 40 0 FIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 ZINC000225453916 571036592 /nfs/dbraw/zinc/03/65/92/571036592.db2.gz OFLDMKVEOKGHNJ-NQIIRXRSSA-N 1 1 372.553 4.104 40 0 FIABMO Cc1ccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccsc4)C2)OC3)cc1 ZINC000306139677 571041574 /nfs/dbraw/zinc/04/15/74/571041574.db2.gz TXKJXCNCDKFHCH-OAQYLSRUSA-N 1 1 365.502 4.095 40 0 FIABMO CCc1ccc2c(c1)C(=O)CC1(CC[NH+](Cc3ccccc3F)CC1)O2 ZINC000225817567 571069944 /nfs/dbraw/zinc/06/99/44/571069944.db2.gz CPMUREIHAVBJPP-UHFFFAOYSA-N 1 1 353.437 4.388 40 0 FIABMO COc1nc2cc(C)ccc2cc1C[N@H+](Cc1sccc1C)C[C@H](C)O ZINC000057810261 571123081 /nfs/dbraw/zinc/12/30/81/571123081.db2.gz PIOMBKORSABMEY-INIZCTEOSA-N 1 1 370.518 4.305 40 0 FIABMO CC(C)(C)CC[N@@H+]1C[C@@H]2[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000252585174 571134683 /nfs/dbraw/zinc/13/46/83/571134683.db2.gz GSJIGYLGKSBYBC-BJWYYQGGSA-N 1 1 369.336 4.337 40 0 in-vitro FIABMO Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](CCOCc1ccccn1)CCO2 ZINC000253598603 571138850 /nfs/dbraw/zinc/13/88/50/571138850.db2.gz DSZJPPFFIBQKIM-SFHVURJKSA-N 1 1 372.534 4.039 40 0 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COc1ccc([C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2c2cc[nH]n2)cc1 ZINC000072395164 571190419 /nfs/dbraw/zinc/19/04/19/571190419.db2.gz HJGRDBHPWWKQJS-ZWKOTPCHSA-N 1 1 369.415 4.080 40 0 FIABMO Fc1ccc(C[N@H+]2C[C@@H]3Cc4cnc(Nc5ccccc5)nc4[C@@H]3C2)cc1 ZINC000306131147 571213900 /nfs/dbraw/zinc/21/39/00/571213900.db2.gz JXUSTSWZHHXBMD-FXAWDEMLSA-N 1 1 360.436 4.131 40 0 FIABMO CN1C(=O)CCCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccc1-c1ccccc1F ZINC000019713171 571304590 /nfs/dbraw/zinc/30/45/90/571304590.db2.gz YTBVYKDIBIKNSU-FCHUYYIVSA-N 1 1 366.480 4.468 40 0 FIABMO COc1ccc(C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1C ZINC000222962872 222759258 /nfs/dbraw/zinc/75/92/58/222759258.db2.gz IWTLTPQLHGXADE-UHFFFAOYSA-N 1 1 369.852 4.047 40 0 FIABMO Cc1cc(C)nc(Nc2ccc([C@H]3CCCC[N@@H+]3Cc3cccnc3)cn2)n1 ZINC000257238378 223033354 /nfs/dbraw/zinc/03/33/54/223033354.db2.gz HKSJNYVZKIKQEU-HXUWFJFHSA-N 1 1 374.492 4.354 40 0 FIABMO Cc1cc(C)nc(Nc2ccc([C@H]3CCCC[N@H+]3Cc3cccnc3)cn2)n1 ZINC000257238378 223033358 /nfs/dbraw/zinc/03/33/58/223033358.db2.gz HKSJNYVZKIKQEU-HXUWFJFHSA-N 1 1 374.492 4.354 40 0 FIABMO O=C(c1ccccc1F)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020530709 211286318 /nfs/dbraw/zinc/28/63/18/211286318.db2.gz HAOYLIWOTNERSU-UHFFFAOYSA-N 1 1 372.443 4.354 40 0 FIABMO COc1ccc(-c2[nH]c3ncccc3c2C[N@@H+](C)CCc2ccncc2)cc1 ZINC000019586289 211238532 /nfs/dbraw/zinc/23/85/32/211238532.db2.gz VEBHHDFOLLRTDF-UHFFFAOYSA-N 1 1 372.472 4.308 40 0 FIABMO Cc1c2cc(F)ccc2[nH]c1C[N@@H+](Cc1ccccn1)C[C@@H]1CCCO1 ZINC000019565431 211232346 /nfs/dbraw/zinc/23/23/46/211232346.db2.gz PDKXQHYPPLRGDD-SFHVURJKSA-N 1 1 353.441 4.192 40 0 FIABMO Cc1c2cc(F)ccc2[nH]c1C[N@H+](Cc1ccccn1)C[C@@H]1CCCO1 ZINC000019565431 211232350 /nfs/dbraw/zinc/23/23/50/211232350.db2.gz PDKXQHYPPLRGDD-SFHVURJKSA-N 1 1 353.441 4.192 40 0 FIABMO CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](CC3CCCCC3)CC[C@H]21 ZINC000019499191 211226057 /nfs/dbraw/zinc/22/60/57/211226057.db2.gz UREVCKHAKRCXEG-YPAWHYETSA-N 1 1 372.528 4.432 40 0 FIABMO c1ccc2c(C[N@H+]3CCC[C@@H]3c3nnc(-c4cccnc4)o3)ccnc2c1 ZINC000019376091 211220972 /nfs/dbraw/zinc/22/09/72/211220972.db2.gz SPLJPFJJQRGBBL-LJQANCHMSA-N 1 1 357.417 4.017 40 0 FIABMO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000019371971 211219406 /nfs/dbraw/zinc/21/94/06/211219406.db2.gz YOQUVFHGMHDYHY-GOSISDBHSA-N 1 1 367.493 4.117 40 0 FIABMO Cc1ccc([C@@H](NC(=O)[C@H](C)n2cc[nH+]c2C(C)C)c2cccnc2)cc1 ZINC000019136597 211204493 /nfs/dbraw/zinc/20/44/93/211204493.db2.gz IJJOHLAXJREWSS-FXAWDEMLSA-N 1 1 362.477 4.177 40 0 FIABMO CC(=O)N(C)C1CCC2(CC1)C[N@@H+](CC(C)(C)C)Cc1ccccc1O2 ZINC000019016288 211200517 /nfs/dbraw/zinc/20/05/17/211200517.db2.gz LHFCLGHMIQUWRA-UHFFFAOYSA-N 1 1 358.526 4.087 40 0 FIABMO C/C(=C\c1ccccc1)C[N@H+]1CCc2nc([C@@H]3CCCCN3C)ncc2C1 ZINC000019014420 211199867 /nfs/dbraw/zinc/19/98/67/211199867.db2.gz BBTSNGLGZUNIKA-RRXSNJIPSA-N 1 1 362.521 4.095 40 0 FIABMO Cc1cnc2[nH]c(C(F)(F)F)c(C[N@@H+](C)CCOc3ccccc3)c2c1 ZINC000019124946 211205041 /nfs/dbraw/zinc/20/50/41/211205041.db2.gz UPKGDQWRXIQRDR-UHFFFAOYSA-N 1 1 363.383 4.401 40 0 FIABMO O=C(COc1ccc(Cl)cc1Cl)OC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000013425029 211033266 /nfs/dbraw/zinc/03/32/66/211033266.db2.gz QSWYVTSVHDNZFA-CJNGLKHVSA-N 1 1 372.292 4.180 40 0 FIABMO O=C(COc1ccc(Cl)cc1Cl)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000013425028 211032952 /nfs/dbraw/zinc/03/29/52/211032952.db2.gz QSWYVTSVHDNZFA-BBRMVZONSA-N 1 1 372.292 4.180 40 0 FIABMO COc1ccc2nc(-c3ccc(NC(=O)C[NH+]4CCCC4)cc3)sc2c1 ZINC000001083934 210315283 /nfs/dbraw/zinc/31/52/83/210315283.db2.gz FFMOLIFHHBJQFY-UHFFFAOYSA-N 1 1 367.474 4.006 40 0 FIABMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1)c1ccc(Cl)cc1 ZINC000022336670 220384416 /nfs/dbraw/zinc/38/44/16/220384416.db2.gz ATBLUOQZDJJSSN-SEJPIABJSA-N 1 1 368.908 4.308 40 0 FIABMO COc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)cc1 ZINC000049169391 221021183 /nfs/dbraw/zinc/02/11/83/221021183.db2.gz VPYZMFPGHVZNOR-INIZCTEOSA-N 1 1 369.852 4.388 40 0 biogenic,in-vitro FIABMO O=C(Nc1ccccc1)N1CCC2(C[NH+](Cc3cccc(Cl)c3)C2)C1 ZINC000096070786 222011414 /nfs/dbraw/zinc/01/14/14/222011414.db2.gz DUFOWSOFVSVJRC-UHFFFAOYSA-N 1 1 355.869 4.080 40 0 FIABMO Cc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)s1 ZINC000096100307 222022433 /nfs/dbraw/zinc/02/24/33/222022433.db2.gz CDLIVLOXLFNKAL-NRFANRHFSA-N 1 1 354.519 4.203 40 0 FIABMO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3cnn(C)c3)no2)cc1 ZINC000012186585 263369770 /nfs/dbraw/zinc/36/97/70/263369770.db2.gz MVCAXIDUXPTHOT-HXUWFJFHSA-N 1 1 366.465 4.201 40 0 FIABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3cnn(C)c3)no2)cc1 ZINC000012186585 263369773 /nfs/dbraw/zinc/36/97/73/263369773.db2.gz MVCAXIDUXPTHOT-HXUWFJFHSA-N 1 1 366.465 4.201 40 0 FIABMO COc1cc2ccccc2cc1C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000020457521 523062046 /nfs/dbraw/zinc/06/20/46/523062046.db2.gz AQOOWGWQMQTYDL-UHFFFAOYSA-N 1 1 371.440 4.273 40 0 FIABMO O=C(CCCc1ccccc1)N1[C@@H]2CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000085471090 526458533 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360.542 4.232 40 0 FIABMO O[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000585271340 570485433 /nfs/dbraw/zinc/48/54/33/570485433.db2.gz WVEJGCLUKIIZRJ-QFIPXVFZSA-N 1 1 368.452 4.103 40 0 FIABMO COc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)cc1 ZINC000107752094 570525131 /nfs/dbraw/zinc/52/51/31/570525131.db2.gz IUKBSJKDVDQOSG-PKTZIBPZSA-N 1 1 373.537 4.273 40 0 FIABMO Fc1ccc(-c2[nH+]c3ccccn3c2NCc2ccc3c(c2)OCO3)cc1 ZINC000004848432 570669791 /nfs/dbraw/zinc/66/97/91/570669791.db2.gz YHBNNVFFDQRZIS-UHFFFAOYSA-N 1 1 361.376 4.481 40 0 FIABMO Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2cccc(F)c2)C3)cc1 ZINC000004888008 570672717 /nfs/dbraw/zinc/67/27/17/570672717.db2.gz DWZJFQZNAPEGLD-FRIKZZABSA-N 1 1 366.480 4.450 40 0 FIABMO Cc1ccccc1NC(=S)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccco1 ZINC000008685978 570684873 /nfs/dbraw/zinc/68/48/73/570684873.db2.gz FRBYBRWFILVMSI-ALOPSCKCSA-N 1 1 355.507 4.070 40 0 FIABMO C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCC[N@@H+](C)Cc2ccccc2)o1 ZINC000036697608 570881241 /nfs/dbraw/zinc/88/12/41/570881241.db2.gz RUPTYKLQBBRNLK-NZDACYECSA-N 1 1 352.478 4.055 40 0 FIABMO O=C(NCC1=CCCCC1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000224548628 570992837 /nfs/dbraw/zinc/99/28/37/570992837.db2.gz OFEZJPVCLYLIFH-UHFFFAOYSA-N 1 1 364.892 4.308 40 0 FIABMO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000225220043 571022510 /nfs/dbraw/zinc/02/25/10/571022510.db2.gz RNCWFXGZCSCMLW-ZDUSSCGKSA-N 1 1 357.325 4.366 40 0 FIABMO O=C(NCCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225574213 571046687 /nfs/dbraw/zinc/04/66/87/571046687.db2.gz WDUCNQXTMWNAGW-UHFFFAOYSA-N 1 1 374.887 4.050 40 0 FIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSCc2ccc(C)cc2)cc1 ZINC000030757210 571049915 /nfs/dbraw/zinc/04/99/15/571049915.db2.gz GCUXFFQICRBTCC-UHFFFAOYSA-N 1 1 365.502 4.039 40 0 FIABMO C[C@@H]1[C@@H](c2ccc(F)cc2)c2cc3c(cc2O[C@@H]1[NH+]1CCCC1)OCO3 ZINC000031860863 571056016 /nfs/dbraw/zinc/05/60/16/571056016.db2.gz WTOYXTZDCYEBQM-UBWHGVKJSA-N 1 1 355.409 4.137 40 0 FIABMO CCOc1ccc2c(c1)OC1(CC[NH+](Cc3ccc(F)cc3)CC1)CC2=O ZINC000225820496 571070274 /nfs/dbraw/zinc/07/02/74/571070274.db2.gz SELKWMSTMOMGCG-UHFFFAOYSA-N 1 1 369.436 4.224 40 0 FIABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1c[nH]c2ccccc12 ZINC000036740317 571081471 /nfs/dbraw/zinc/08/14/71/571081471.db2.gz KXTIYBUTUZCHDG-UHFFFAOYSA-N 1 1 374.488 4.466 40 0 FIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000038834028 571087337 /nfs/dbraw/zinc/08/73/37/571087337.db2.gz MMXFDUSVFMXWKM-UHFFFAOYSA-N 1 1 370.250 4.255 40 0 FIABMO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000260747050 571121661 /nfs/dbraw/zinc/12/16/61/571121661.db2.gz ZSRULTRFQGDXPX-RBUKOAKNSA-N 1 1 360.542 4.124 40 0 FIABMO CCc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000260841100 571124389 /nfs/dbraw/zinc/12/43/89/571124389.db2.gz JICMJDSKRPXHJL-UTKZUKDTSA-N 1 1 368.496 4.478 40 0 FIABMO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000072345891 571179762 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c1ccc(CCC[N@H+]2CCCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377923 571186946 /nfs/dbraw/zinc/18/69/46/571186946.db2.gz YVTAZAVZNWJBQM-FQEVSTJZSA-N 1 1 374.492 4.170 40 0 FIABMO CCc1nccn1-c1cccc([C@H]2CCC[N@H+]2Cc2ccc(OC)cc2)n1 ZINC000072379116 571187630 /nfs/dbraw/zinc/18/76/30/571187630.db2.gz FCOQPLNYJXWQSB-HXUWFJFHSA-N 1 1 362.477 4.175 40 0 FIABMO C[C@H](CO)[N@@H+](Cc1c2cccnc2[nH]c1C(C)(C)C)Cc1ccccc1 ZINC000072393646 571190281 /nfs/dbraw/zinc/19/02/81/571190281.db2.gz VBVGXFJXAIJNIO-MRXNPFEDSA-N 1 1 351.494 4.243 40 0 FIABMO O=C(c1cccs1)N1C[C@@H]2CCCC[N@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000072399165 571190665 /nfs/dbraw/zinc/19/06/65/571190665.db2.gz PYYJZMHONYYQPE-FUHWJXTLSA-N 1 1 358.482 4.014 40 0 FIABMO CC(C)CC[N@H+]1CCC[C@]2(CCCN2C(=O)c2cc(C(C)C)on2)CC1 ZINC000585100604 571221460 /nfs/dbraw/zinc/22/14/60/571221460.db2.gz PJIDYGFFQPGGOZ-NRFANRHFSA-N 1 1 361.530 4.305 40 0 FIABMO COc1ccc(CN2C[C@@H]3C[C@H](c4cccs4)[N@H+]4CCC[C@]34C2)cc1 ZINC000247898696 571290905 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C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030943784 571305399 /nfs/dbraw/zinc/30/53/99/571305399.db2.gz OZLOTUGVWUREQQ-RXVVDRJESA-N 1 1 368.496 4.175 40 0 FIABMO Cn1cc(CN2CCC[C@H]2c2[nH+]cn3cc(-c4cccs4)ccc23)cn1 ZINC000306141762 210058103 /nfs/dbraw/zinc/05/81/03/210058103.db2.gz WFRCSWMDUCTBJZ-KRWDZBQOSA-N 1 1 363.490 4.133 40 0 FIABMO Cc1cccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccsc4)C2)OC3)c1 ZINC000306123336 210049662 /nfs/dbraw/zinc/04/96/62/210049662.db2.gz AKLYWWGRPBWFGZ-OAQYLSRUSA-N 1 1 365.502 4.095 40 0 FIABMO Cc1nc(-c2nccn2C)cc([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000257304116 223058290 /nfs/dbraw/zinc/05/82/90/223058290.db2.gz SKDQLHKDLRPKPP-HXUWFJFHSA-N 1 1 365.456 4.052 40 0 FIABMO Cc1nc(-c2nccn2C)cc([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000257304116 223058293 /nfs/dbraw/zinc/05/82/93/223058293.db2.gz SKDQLHKDLRPKPP-HXUWFJFHSA-N 1 1 365.456 4.052 40 0 FIABMO COc1cccc([C@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@@H]2C)OCO4)c1 ZINC000031860854 211537288 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40 0 FIABMO COc1cc(C)ccc1C[N@H+]1CCCC[C@H]1c1[nH]ncc1-c1cc(C)no1 ZINC000019134021 211205003 /nfs/dbraw/zinc/20/50/03/211205003.db2.gz MYPDNJKOMXKHTQ-SFHVURJKSA-N 1 1 366.465 4.417 40 0 FIABMO Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000001609262 210362125 /nfs/dbraw/zinc/36/21/25/210362125.db2.gz LPONBKDMLVAGKO-UHFFFAOYSA-N 1 1 365.234 4.432 40 0 FIABMO COc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccs2)c1 ZINC000001377829 210347031 /nfs/dbraw/zinc/34/70/31/210347031.db2.gz PNHRWTJZXCMWGX-AYHJJNSGSA-N 1 1 370.518 4.072 40 0 FIABMO COc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4c[nH]c5ccccc45)C3)o2)cc1 ZINC000049170118 221020487 /nfs/dbraw/zinc/02/04/87/221020487.db2.gz MELBMAWTWVEKQK-INIZCTEOSA-N 1 1 374.444 4.216 40 0 biogenic,in-vitro FIABMO COc1cccc(C(=O)Nc2cc([NH+]3C[C@H](C)C[C@@H](C)C3)c(C)cc2N)c1 ZINC000226331546 132251140 /nfs/dbraw/zinc/25/11/40/132251140.db2.gz TZTFSJYFWRKSGB-HUUCEWRRSA-N 1 1 367.493 4.320 40 0 FIABMO COc1ccc2c(c1)CCN(c1cc(NC3CCCC3)[nH+]c(C3CC3)n1)C2 ZINC000328984031 132372150 /nfs/dbraw/zinc/37/21/50/132372150.db2.gz HJZYBRAYNTWVRC-UHFFFAOYSA-N 1 1 364.493 4.280 40 0 FIABMO COc1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C3CC3)[nH+]1)C2 ZINC000328984031 132372151 /nfs/dbraw/zinc/37/21/51/132372151.db2.gz HJZYBRAYNTWVRC-UHFFFAOYSA-N 1 1 364.493 4.280 40 0 FIABMO Fc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)cc1 ZINC000096057052 222005345 /nfs/dbraw/zinc/00/53/45/222005345.db2.gz YINWRGIHERSHJW-FCHUYYIVSA-N 1 1 361.501 4.404 40 0 FIABMO COc1ccc(C[N@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)cc1 ZINC000096061591 222008977 /nfs/dbraw/zinc/00/89/77/222008977.db2.gz RQCGRMYAHXPNHF-XZOQPEGZSA-N 1 1 351.490 4.307 40 0 FIABMO Fc1ccccc1C[N@H+]1CCC[C@@]2(C[C@@H](OCc3ccccc3)CO2)C1 ZINC000096073566 222012072 /nfs/dbraw/zinc/01/20/72/222012072.db2.gz CTDOCRYLOQQYHN-IFMALSPDSA-N 1 1 355.453 4.166 40 0 FIABMO CC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000039752537 263399079 /nfs/dbraw/zinc/39/90/79/263399079.db2.gz RXDQNIYAUDPUSL-UHFFFAOYSA-N 1 1 370.880 4.393 40 0 FIABMO CC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000039748664 263399771 /nfs/dbraw/zinc/39/97/71/263399771.db2.gz OSGPPNVSBZTUHS-UHFFFAOYSA-N 1 1 370.880 4.393 40 0 FIABMO CCOc1ccc(CNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020451596 520998563 /nfs/dbraw/zinc/99/85/63/520998563.db2.gz AWTBUSKOHFWLSM-GOSISDBHSA-N 1 1 366.505 4.247 40 0 FIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CSCc1ccc(C)cc1 ZINC000020038239 527386352 /nfs/dbraw/zinc/38/63/52/527386352.db2.gz RJSVMSBMXHOXLF-UHFFFAOYSA-N 1 1 365.502 4.039 40 0 FIABMO O=C1OC[C@@H]2CC[N@@H+](Cc3ccccc3Cl)Cc3ccc(F)cc3N12 ZINC000225486272 560042694 /nfs/dbraw/zinc/04/26/94/560042694.db2.gz AUHUSCQRKQSPLY-INIZCTEOSA-N 1 1 360.816 4.210 40 0 biogenic,in-vitro FIABMO O=C1OC[C@@H]2CC[N@H+](Cc3ccccc3Cl)Cc3ccc(F)cc3N12 ZINC000225486272 560042695 /nfs/dbraw/zinc/04/26/95/560042695.db2.gz AUHUSCQRKQSPLY-INIZCTEOSA-N 1 1 360.816 4.210 40 0 biogenic,in-vitro FIABMO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000225489661 560042700 /nfs/dbraw/zinc/04/27/00/560042700.db2.gz WSXCIASYBQGYCH-INIZCTEOSA-N 1 1 358.388 4.004 40 0 biogenic,in-vitro FIABMO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000225489661 560042701 /nfs/dbraw/zinc/04/27/01/560042701.db2.gz WSXCIASYBQGYCH-INIZCTEOSA-N 1 1 358.388 4.004 40 0 biogenic,in-vitro FIABMO C[C@]12C[C@@H](Cc3ccccc3)[N@@H+](Cc3ccccc3)[C@H]1CCCCC(=O)N2 ZINC000219773196 568303236 /nfs/dbraw/zinc/30/32/36/568303236.db2.gz SLHHSNZIBXVQSI-GPXNEJASSA-N 1 1 362.517 4.321 40 0 FIABMO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000585270559 570485003 /nfs/dbraw/zinc/48/50/03/570485003.db2.gz MMKRAYXLKFCCJH-HSZRJFAPSA-N 1 1 364.489 4.272 40 0 FIABMO O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044932971 570539292 /nfs/dbraw/zinc/53/92/92/570539292.db2.gz CABHMTIXRDPSCZ-UGKGYDQZSA-N 1 1 366.480 4.232 40 0 FIABMO CCOP(=O)(OCC)[C@H]1CCC[N@H+]2CCc3c4ccccc4[nH]c3[C@H]12 ZINC000005395557 570626231 /nfs/dbraw/zinc/62/62/31/570626231.db2.gz XBRZIMWUAYLLQW-HKUYNNGSSA-N 1 1 362.410 4.496 40 0 FIABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2Cl)CC1 ZINC000005644246 570632219 /nfs/dbraw/zinc/63/22/19/570632219.db2.gz UPEXLJSFWIFHBM-UHFFFAOYSA-N 1 1 357.885 4.043 40 0 FIABMO COc1ccc(C(=O)OCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000006494948 570647939 /nfs/dbraw/zinc/64/79/39/570647939.db2.gz MJEUFNXDZGUHPY-KRWDZBQOSA-N 1 1 353.462 4.427 40 0 FIABMO COc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C2CCCCC2)c1 ZINC000004887763 570672561 /nfs/dbraw/zinc/67/25/61/570672561.db2.gz MVAGVQDHJKYVKA-CTXDPNEZSA-N 1 1 356.510 4.143 40 0 FIABMO CCCn1c2ccccc2nc1C[N@@H+](Cc1sccc1C)C[C@H](C)O ZINC000012147041 570722730 /nfs/dbraw/zinc/72/27/30/570722730.db2.gz IMCBPMCODOTUOV-INIZCTEOSA-N 1 1 357.523 4.199 40 0 FIABMO CCCn1c2ccccc2nc1C[N@H+](Cc1sccc1C)C[C@H](C)O ZINC000012147041 570722734 /nfs/dbraw/zinc/72/27/34/570722734.db2.gz IMCBPMCODOTUOV-INIZCTEOSA-N 1 1 357.523 4.199 40 0 FIABMO CC(C)[N@H+]1CC[C@H](CCc2ccc(NC(=O)[C@@H]3CCCO3)cc2)[C@@H](C)C1 ZINC000012241228 570731001 /nfs/dbraw/zinc/73/10/01/570731001.db2.gz HCJTYJZVXXRLGC-CUWPLCDZSA-N 1 1 358.526 4.103 40 0 FIABMO S=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)Nc1ccncc1 ZINC000225217759 571022541 /nfs/dbraw/zinc/02/25/41/571022541.db2.gz QMRGGCGLFJHMNH-UHFFFAOYSA-N 1 1 371.897 4.072 40 0 FIABMO Cc1cccc(CNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000039766591 571023455 /nfs/dbraw/zinc/02/34/55/571023455.db2.gz SFVFPSKLEJRQDA-UHFFFAOYSA-N 1 1 374.887 4.316 40 0 FIABMO CC(C)(Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000225363939 571030870 /nfs/dbraw/zinc/03/08/70/571030870.db2.gz JFKFLHHFEJAJQQ-HXUWFJFHSA-N 1 1 368.496 4.175 40 0 FIABMO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225576533 571046724 /nfs/dbraw/zinc/04/67/24/571046724.db2.gz ZHNFJSRDHQVZTP-UHFFFAOYSA-N 1 1 374.887 4.316 40 0 FIABMO CC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225603021 571048539 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40 0 FIABMO Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000019692015 211245681 /nfs/dbraw/zinc/24/56/81/211245681.db2.gz KQVVQMUBCOIRKI-QFIPXVFZSA-N 1 1 364.468 4.191 40 0 FIABMO Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCC[N@H+]2Cc2ccnn2C)n1 ZINC000019691991 211244247 /nfs/dbraw/zinc/24/42/47/211244247.db2.gz ZMSHCSFFANIVCW-QFIPXVFZSA-N 1 1 364.468 4.191 40 0 FIABMO Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCC[N@@H+]2Cc2ccnn2C)n1 ZINC000019691991 211244253 /nfs/dbraw/zinc/24/42/53/211244253.db2.gz ZMSHCSFFANIVCW-QFIPXVFZSA-N 1 1 364.468 4.191 40 0 FIABMO Cc1c2cc(F)ccc2[nH]c1C[N@@H+](Cc1ccccn1)C[C@H]1CCCO1 ZINC000019565434 211232253 /nfs/dbraw/zinc/23/22/53/211232253.db2.gz PDKXQHYPPLRGDD-GOSISDBHSA-N 1 1 353.441 4.192 40 0 FIABMO Cc1c2cc(F)ccc2[nH]c1C[N@H+](Cc1ccccn1)C[C@H]1CCCO1 ZINC000019565434 211232259 /nfs/dbraw/zinc/23/22/59/211232259.db2.gz PDKXQHYPPLRGDD-GOSISDBHSA-N 1 1 353.441 4.192 40 0 FIABMO C[C@@H](CCN1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2)c1ccccc1 ZINC000019455676 211224555 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COc1ccc(-c2noc([C@@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)n2)cc1 ZINC000257317766 533208341 /nfs/dbraw/zinc/20/83/41/533208341.db2.gz VLBBEDWWJSSPQP-OAHLLOKOSA-N 1 1 371.387 4.013 40 0 FIABMO Cc1ccc(N2CCC[C@]3(CC[N@@H+](Cc4ccc(Cl)c(F)c4)C3)C2)nn1 ZINC000096217069 132222562 /nfs/dbraw/zinc/22/25/62/132222562.db2.gz FAGRCVCRUZVKQK-HXUWFJFHSA-N 1 1 374.891 4.070 40 0 FIABMO CC[C@H](C)Nc1nc(N2CCc3cc(Br)ccc3C2)cc[nH+]1 ZINC000329070536 132373218 /nfs/dbraw/zinc/37/32/18/132373218.db2.gz ZHJUNYYLKNSQAA-LBPRGKRZSA-N 1 1 361.287 4.012 40 0 FIABMO Brc1ccc2c(c1)CCN(c1cc[nH+]c(NC3CCCC3)n1)C2 ZINC000328966318 132371905 /nfs/dbraw/zinc/37/19/05/132371905.db2.gz CLLXMZBFMYILCY-UHFFFAOYSA-N 1 1 373.298 4.156 40 0 FIABMO Cc1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(Nc2ccccc2)[nH+]1 ZINC000329070856 132373358 /nfs/dbraw/zinc/37/33/58/132373358.db2.gz ZKJITTIXCJHCAY-UHFFFAOYSA-N 1 1 374.488 4.319 40 0 FIABMO CCCn1ncc(C[N@H+](Cc2ccccc2)Cc2ccccc2CO)c1C ZINC000257212999 528881973 /nfs/dbraw/zinc/88/19/73/528881973.db2.gz 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/nfs/dbraw/zinc/97/62/61/570976261.db2.gz VUCQAOMDPCKAMZ-UHFFFAOYSA-N 1 1 369.852 4.163 40 0 FIABMO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039768566 571024071 /nfs/dbraw/zinc/02/40/71/571024071.db2.gz OWLMBEWLICWFSK-UHFFFAOYSA-N 1 1 374.887 4.316 40 0 FIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(OC(C)C)cc1 ZINC000225583267 571047578 /nfs/dbraw/zinc/04/75/78/571047578.db2.gz BLRHSACWFSVAON-SFHVURJKSA-N 1 1 363.571 4.415 40 0 FIABMO C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030943781 571052893 /nfs/dbraw/zinc/05/28/93/571052893.db2.gz OZLOTUGVWUREQQ-WIYYLYMNSA-N 1 1 368.496 4.175 40 0 FIABMO CC(=O)c1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C2CCCC2)c1 ZINC000035290354 571076367 /nfs/dbraw/zinc/07/63/67/571076367.db2.gz XZBXXWDSLSEQTN-VCSGRIEYSA-N 1 1 369.509 4.339 40 0 FIABMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1)c1ccccc1F ZINC000035289775 571076500 /nfs/dbraw/zinc/07/65/00/571076500.db2.gz UOZHKRXQVIKEEN-YQQQUEKLSA-N 1 1 370.443 4.280 40 0 FIABMO O=C(Nc1ccc2sncc2c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000225901226 571078874 /nfs/dbraw/zinc/07/88/74/571078874.db2.gz MSCCLSBGKPKVPH-INIZCTEOSA-N 1 1 351.475 4.147 40 0 FIABMO CN(C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000225904771 571078912 /nfs/dbraw/zinc/07/89/12/571078912.db2.gz UBXGEPXOEDKQQA-INIZCTEOSA-N 1 1 360.860 4.354 40 0 FIABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2c[nH]nc2C(C)(C)C)s1 ZINC000036740433 571081456 /nfs/dbraw/zinc/08/14/56/571081456.db2.gz IRDBOLWRSQMFIA-UHFFFAOYSA-N 1 1 371.554 4.366 40 0 FIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCSCc2ccccc2)cc1 ZINC000044900926 571104164 /nfs/dbraw/zinc/10/41/64/571104164.db2.gz NEXYXQMJAVYXMY-UHFFFAOYSA-N 1 1 365.502 4.120 40 0 FIABMO Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000044912272 571104900 /nfs/dbraw/zinc/10/49/00/571104900.db2.gz PARZGMHKKNMGQV-LJQANCHMSA-N 1 1 356.897 4.177 40 0 FIABMO CC[C@@H](C)Nc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc[nH+]1 ZINC000328989685 571106211 /nfs/dbraw/zinc/10/62/11/571106211.db2.gz ILKFCSUYSSFOSO-GFCCVEGCSA-N 1 1 366.387 4.148 40 0 FIABMO CO[C@@](C)(C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260816799 571123573 /nfs/dbraw/zinc/12/35/73/571123573.db2.gz QMDOHFNVBHNKGH-VGOFRKELSA-N 1 1 374.525 4.084 40 0 FIABMO CC1CC[NH+](Cc2cc(Br)ccc2Oc2ncccn2)CC1 ZINC000575421827 571149978 /nfs/dbraw/zinc/14/99/78/571149978.db2.gz BPZXXZYUPXRKSN-UHFFFAOYSA-N 1 1 362.271 4.263 40 0 FIABMO COc1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000072345890 571179792 /nfs/dbraw/zinc/17/97/92/571179792.db2.gz DYPTUQCNANBWDK-LJQANCHMSA-N 1 1 374.488 4.114 40 0 FIABMO COc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072348953 571180548 /nfs/dbraw/zinc/18/05/48/571180548.db2.gz MHZQGIQQICLSKY-HXUWFJFHSA-N 1 1 373.500 4.456 40 0 FIABMO CCn1ccnc1C[N@H+]1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072350278 571181624 /nfs/dbraw/zinc/18/16/24/571181624.db2.gz DYKMXGWQVCSVKC-GOSISDBHSA-N 1 1 364.468 4.484 40 0 FIABMO CC(C)c1nccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072350489 571181678 /nfs/dbraw/zinc/18/16/78/571181678.db2.gz SBLYEULJBGYGKP-IBGZPJMESA-N 1 1 361.493 4.165 40 0 FIABMO CC(C)c1nccn1-c1nccnc1[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072359237 571183863 /nfs/dbraw/zinc/18/38/63/571183863.db2.gz VDUNHAFDDOEFLF-SFHVURJKSA-N 1 1 365.456 4.262 40 0 FIABMO Cc1ccccc1-c1noc([C@@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)n1 ZINC000072369945 571185057 /nfs/dbraw/zinc/18/50/57/571185057.db2.gz UOYANZAEXYWYSI-OAHLLOKOSA-N 1 1 355.388 4.313 40 0 FIABMO COc1cccc(-c2noc([C@@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)n2)c1 ZINC000072369901 571185138 /nfs/dbraw/zinc/18/51/38/571185138.db2.gz RSCNCQYPRAZJBD-OAHLLOKOSA-N 1 1 371.387 4.013 40 0 FIABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3cccc(Nc4ncccn4)n3)C2)cc1 ZINC000072375919 571185777 /nfs/dbraw/zinc/18/57/77/571185777.db2.gz IKOSIOOAZLPIIL-QGZVFWFLSA-N 1 1 363.440 4.134 40 0 FIABMO C[C@@H]1[C@H](c2ccc(F)cc2)c2cc3c(cc2O[C@@H]1[NH+]1CCCC1)OCO3 ZINC000073293779 571200558 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CC[C@@H](C)Nc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc[nH+]1 ZINC000329016817 132372511 /nfs/dbraw/zinc/37/25/11/132372511.db2.gz NHVYXEWAWIWKRO-GFCCVEGCSA-N 1 1 366.387 4.148 40 0 FIABMO O=C(Nc1ccccc1)N1CCC2(C[NH+](Cc3ccc(Cl)cc3)C2)C1 ZINC000096202468 222075008 /nfs/dbraw/zinc/07/50/08/222075008.db2.gz IQXHMQBHBSYSMK-UHFFFAOYSA-N 1 1 355.869 4.080 40 0 FIABMO CC(C)Sc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020612820 263381347 /nfs/dbraw/zinc/38/13/47/263381347.db2.gz XPQBEXSEDILDSI-UHFFFAOYSA-N 1 1 354.519 4.145 40 0 FIABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)s1 ZINC000306136305 533956248 /nfs/dbraw/zinc/95/62/48/533956248.db2.gz PPOTZHSXJKDTSL-IBGZPJMESA-N 1 1 371.531 4.156 40 0 FIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000020492496 523020192 /nfs/dbraw/zinc/02/01/92/523020192.db2.gz IAUGYJAESYPHNB-MOPGFXCFSA-N 1 1 360.542 4.348 40 0 FIABMO COc1ccccc1C(=O)Nc1cc([N@H+]2C[C@H](C)C[C@H](C)C2)c(C)cc1N ZINC000226331659 537000906 /nfs/dbraw/zinc/00/09/06/537000906.db2.gz VWJUMBVLMGVQAK-GASCZTMLSA-N 1 1 367.493 4.320 40 0 FIABMO COc1ccccc1C(=O)Nc1cc([N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)cc1N ZINC000226331659 537000910 /nfs/dbraw/zinc/00/09/10/537000910.db2.gz VWJUMBVLMGVQAK-GASCZTMLSA-N 1 1 367.493 4.320 40 0 FIABMO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000223339245 568642097 /nfs/dbraw/zinc/64/20/97/568642097.db2.gz ZSRULTRFQGDXPX-MOPGFXCFSA-N 1 1 360.542 4.124 40 0 FIABMO Cc1cc(OC[C@@]2(O)CCC[N@H+](C3CCCCC3)C2)cc(C)c1Cl ZINC000585282174 570492519 /nfs/dbraw/zinc/49/25/19/570492519.db2.gz YNOANOUWIURABP-HXUWFJFHSA-N 1 1 351.918 4.495 40 0 FIABMO Cc1cc(N2CCCC2)[nH+]cc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072218856 570534203 /nfs/dbraw/zinc/53/42/03/570534203.db2.gz IFWJIZKWKXGPMC-HXUWFJFHSA-N 1 1 365.477 4.464 40 0 FIABMO CCOP(=O)(OCC)[C@@H]1CCC[N@H+]2CCc3c4ccccc4[nH]c3[C@H]12 ZINC000005395556 570626364 /nfs/dbraw/zinc/62/63/64/570626364.db2.gz XBRZIMWUAYLLQW-MJGOQNOKSA-N 1 1 362.410 4.496 40 0 FIABMO CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000408710408 570662744 /nfs/dbraw/zinc/66/27/44/570662744.db2.gz OGJILRHTBXTXDX-UHFFFAOYSA-N 1 1 374.887 4.350 40 0 FIABMO O=C(/C=C/c1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000004887912 570672683 /nfs/dbraw/zinc/67/26/83/570672683.db2.gz KBMNODPKUWQSKX-LKNVEGBXSA-N 1 1 360.501 4.402 40 0 FIABMO Cc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccco2)cc1C ZINC000008690315 570684836 /nfs/dbraw/zinc/68/48/36/570684836.db2.gz SNFOZKYWNCUNHB-YQQQUEKLSA-N 1 1 369.534 4.378 40 0 FIABMO Cc1ccc(OCC[N@H+](C)Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)cc1 ZINC000012085209 570716951 /nfs/dbraw/zinc/71/69/51/570716951.db2.gz YKNFPKVGLIXEIN-FQEVSTJZSA-N 1 1 365.477 4.234 40 0 FIABMO CC[N@H+]1CCC[C@H]1CNc1ncc(-c2cccs2)c(-c2nccs2)n1 ZINC000012275076 570731933 /nfs/dbraw/zinc/73/19/33/570731933.db2.gz IFQPSCHGVVMSGT-ZDUSSCGKSA-N 1 1 371.535 4.225 40 0 FIABMO COc1c(C)cccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1cccc(F)c1)C2 ZINC000012293190 570732856 /nfs/dbraw/zinc/73/28/56/570732856.db2.gz RMRYLCUBISVXIB-RLAPIPATSA-N 1 1 355.453 4.157 40 0 FIABMO Cc1ccc(C2(C[N@H+]3CCC[C@H](CN4CCCC4=O)C3)CCCC2)cc1 ZINC000012364539 570739183 /nfs/dbraw/zinc/73/91/83/570739183.db2.gz UDRNNVQODLEVBW-FQEVSTJZSA-N 1 1 354.538 4.141 40 0 FIABMO CC1CC[NH+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)CC1 ZINC000012365412 570739224 /nfs/dbraw/zinc/73/92/24/570739224.db2.gz GSIXONCMFUUVAQ-UHFFFAOYSA-N 1 1 356.470 4.075 40 0 FIABMO FC(F)(F)c1c[nH]c(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)n1 ZINC000035572466 571077157 /nfs/dbraw/zinc/07/71/57/571077157.db2.gz LWTJGYWJAGSZPV-UHFFFAOYSA-N 1 1 361.367 4.297 40 0 FIABMO O=C(NCc1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000225901095 571078808 /nfs/dbraw/zinc/07/88/08/571078808.db2.gz PYYHKULNJCTIMC-JOCHJYFZSA-N 1 1 358.485 4.368 40 0 FIABMO COc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000038834172 571087208 /nfs/dbraw/zinc/08/72/08/571087208.db2.gz CIRMMSKDWVYVPM-INIZCTEOSA-N 1 1 358.869 4.199 40 0 FIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCSC2CCCCC2)cc1 ZINC000038852891 571088220 /nfs/dbraw/zinc/08/82/20/571088220.db2.gz HKSAVTYTTSRHQE-UHFFFAOYSA-N 1 1 357.523 4.036 40 0 FIABMO O=C(Nc1ccc(F)cc1F)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038853543 571088407 /nfs/dbraw/zinc/08/84/07/571088407.db2.gz MNXVBJTZGUGVPY-AWEZNQCLSA-N 1 1 364.823 4.469 40 0 FIABMO CC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000038858305 571088426 /nfs/dbraw/zinc/08/84/26/571088426.db2.gz SUFGWLDYWBHGEP-GOSISDBHSA-N 1 1 370.880 4.393 40 0 FIABMO CC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000038858305 571088428 /nfs/dbraw/zinc/08/84/28/571088428.db2.gz SUFGWLDYWBHGEP-GOSISDBHSA-N 1 1 370.880 4.393 40 0 FIABMO CCN(CC)C(=O)c1cnc([C@@H]2CCCC[N@H+]2C2CCCCC2)nc1C ZINC000072345511 571179642 /nfs/dbraw/zinc/17/96/42/571179642.db2.gz DHXVACIHARUVIS-IBGZPJMESA-N 1 1 358.530 4.127 40 0 FIABMO Cc1ccccc1Cc1cccc(C2CC[NH+](Cc3nccn3C)CC2)n1 ZINC000072350010 571181429 /nfs/dbraw/zinc/18/14/29/571181429.db2.gz UESXNXINOIVISR-UHFFFAOYSA-N 1 1 360.505 4.094 40 0 FIABMO CCn1ccnc1C[N@H+]1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072350273 571181721 /nfs/dbraw/zinc/18/17/21/571181721.db2.gz KNFNMJSITWRIPX-SFHVURJKSA-N 1 1 364.468 4.484 40 0 FIABMO COc1cccc(Cc2cccc([C@@H]3CCC[N@H+]3Cc3ccccn3)n2)c1 ZINC000072357715 571182813 /nfs/dbraw/zinc/18/28/13/571182813.db2.gz VAOYJMSLVMIQME-QHCPKHFHSA-N 1 1 359.473 4.413 40 0 FIABMO CC(C)c1nccn1-c1nccnc1[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072359238 571183777 /nfs/dbraw/zinc/18/37/77/571183777.db2.gz VDUNHAFDDOEFLF-GOSISDBHSA-N 1 1 365.456 4.262 40 0 FIABMO O=C1CC[C@]2(CCC[N@H+](Cc3cccc(F)c3)CC2)N1Cc1ccccc1 ZINC000585100125 571221092 /nfs/dbraw/zinc/22/10/92/571221092.db2.gz GFEBNZLOTOPTTI-QHCPKHFHSA-N 1 1 366.480 4.373 40 0 FIABMO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000019690461 571304036 /nfs/dbraw/zinc/30/40/36/571304036.db2.gz MWESMGWAXZVGLS-HXUWFJFHSA-N 1 1 366.509 4.298 40 0 FIABMO Cc1ccc(-c2cc(C(=O)N3CC[C@@]4(C)[C@@H]3CCCCC[N@@H+]4C)no2)cc1 ZINC000019713343 571304825 /nfs/dbraw/zinc/30/48/25/571304825.db2.gz OQIOIPPUHNVULY-UNMCSNQZSA-N 1 1 367.493 4.129 40 0 FIABMO C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030943787 571305309 /nfs/dbraw/zinc/30/53/09/571305309.db2.gz OZLOTUGVWUREQQ-NQIIRXRSSA-N 1 1 368.496 4.175 40 0 FIABMO C[N@H+]1CCCCC[C@@H]2N(C(=O)C3CCOCC3)[C@H](c3ccccc3)C[C@@]21C ZINC000257209243 530051720 /nfs/dbraw/zinc/05/17/20/530051720.db2.gz BPOOJAFCVBRMCB-FUDKSRODSA-N 1 1 370.537 4.020 40 0 FIABMO Oc1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(Nc3cnccn3)nc2)cc1 ZINC000257270082 223045402 /nfs/dbraw/zinc/04/54/02/223045402.db2.gz MSROTJNYKIJTRV-LJQANCHMSA-N 1 1 361.449 4.048 40 0 FIABMO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc(F)cc2)cc1OC ZINC000013989884 220099545 /nfs/dbraw/zinc/09/95/45/220099545.db2.gz BLGWYGOKLWEQOE-UHFFFAOYSA-N 1 1 366.436 4.440 40 0 FIABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc(F)cc2)cc1OC ZINC000013989884 220099547 /nfs/dbraw/zinc/09/95/47/220099547.db2.gz BLGWYGOKLWEQOE-UHFFFAOYSA-N 1 1 366.436 4.440 40 0 FIABMO Cc1cccc(CNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000022913870 211368976 /nfs/dbraw/zinc/36/89/76/211368976.db2.gz SISSTYWEWAWTRK-UHFFFAOYSA-N 1 1 370.496 4.483 40 0 FIABMO Cc1ccc(CN(C)C(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000022510528 211353083 /nfs/dbraw/zinc/35/30/83/211353083.db2.gz IKDYPKLGKCFQPB-LJQANCHMSA-N 1 1 350.506 4.499 40 0 FIABMO COCCC[N@@H+](Cc1ccccn1)Cc1ccnc2ccc(Cl)cc12 ZINC000019593287 211239960 /nfs/dbraw/zinc/23/99/60/211239960.db2.gz GBDCNMLGSYMKLQ-UHFFFAOYSA-N 1 1 355.869 4.322 40 0 FIABMO CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 ZINC000019454499 211223552 /nfs/dbraw/zinc/22/35/52/211223552.db2.gz MTIHHIXXDLWOPI-WKDRNLAYSA-N 1 1 365.521 4.485 40 0 FIABMO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](C3CCCC3)CC[C@@H]21 ZINC000019406566 211222080 /nfs/dbraw/zinc/22/20/80/211222080.db2.gz DOQJBJRYOBEKIQ-UFYCRDLUSA-N 1 1 358.551 4.107 40 0 FIABMO Cc1cccc(C[N@H+](CCCn2ccnc2)Cc2ccccc2Cl)n1 ZINC000019236102 211209049 /nfs/dbraw/zinc/20/90/49/211209049.db2.gz JNWRCUXGLAZYSD-UHFFFAOYSA-N 1 1 354.885 4.332 40 0 FIABMO Cc1cccc(C[N@@H+](CCCn2ccnc2)Cc2ccccc2Cl)n1 ZINC000019236102 211209056 /nfs/dbraw/zinc/20/90/56/211209056.db2.gz JNWRCUXGLAZYSD-UHFFFAOYSA-N 1 1 354.885 4.332 40 0 FIABMO O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](CC3CC3)CC[C@H]21 ZINC000019406604 211221358 /nfs/dbraw/zinc/22/13/58/211221358.db2.gz WLAADQORILZEAJ-NJDAHSKKSA-N 1 1 372.578 4.355 40 0 FIABMO COc1ccc(-c2noc([C@@H]3CC[N@@H+](Cc4cccc(F)c4F)C3)n2)cc1 ZINC000257268354 533207594 /nfs/dbraw/zinc/20/75/94/533207594.db2.gz MLISXTHSKLQLPC-OAHLLOKOSA-N 1 1 371.387 4.013 40 0 FIABMO CC(=O)N1CCC2(C1)CC[NH+](Cc1ccc(Cl)c(C(F)(F)F)c1)CC2 ZINC000096157098 222058829 /nfs/dbraw/zinc/05/88/29/222058829.db2.gz IDHWQGKBYOGXIO-UHFFFAOYSA-N 1 1 374.834 4.193 40 0 FIABMO CCOC(=O)[C@@H]1C[C@]2(CC)CCC[N@@H+]3CCc4c5ccccc5n1c4[C@H]32 ZINC000097056204 222155970 /nfs/dbraw/zinc/15/59/70/222155970.db2.gz UJAQRLRRCXIJFW-VCOUNFBDSA-N 1 1 352.478 4.239 40 0 FIABMO CCOC(=O)[C@@H]1C[C@]2(CC)CCC[N@H+]3CCc4c5ccccc5n1c4[C@H]32 ZINC000097056204 222155972 /nfs/dbraw/zinc/15/59/72/222155972.db2.gz UJAQRLRRCXIJFW-VCOUNFBDSA-N 1 1 352.478 4.239 40 0 FIABMO CN(C)c1ccc(-c2nc3n(c2NC(C)(C)CC(C)(C)C)CC[NH2+]C3)cc1 ZINC000100473367 222245402 /nfs/dbraw/zinc/24/54/02/222245402.db2.gz YAGGEPKTCHJKPG-UHFFFAOYSA-N 1 1 369.557 4.346 40 0 FIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2)C1 ZINC000019933114 524234114 /nfs/dbraw/zinc/23/41/14/524234114.db2.gz BHOJTORKYUYDDN-GOSISDBHSA-N 1 1 368.496 4.420 40 0 FIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1cccc2ccccc21 ZINC000020106505 527383425 /nfs/dbraw/zinc/38/34/25/527383425.db2.gz KQXIUBJITGJART-UHFFFAOYSA-N 1 1 371.440 4.029 40 0 FIABMO CCNc1cc(N2CCc3cc(Br)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329009097 535523117 /nfs/dbraw/zinc/52/31/17/535523117.db2.gz LVOWRGAGHHSBSF-UHFFFAOYSA-N 1 1 373.298 4.111 40 0 FIABMO COc1ccc2c(c1)C[N@@H+](Cc1ccccc1Cl)CC[C@H]1COC(=O)N21 ZINC000225491856 560042504 /nfs/dbraw/zinc/04/25/04/560042504.db2.gz HHYMKUDTEKOQHI-INIZCTEOSA-N 1 1 372.852 4.080 40 0 biogenic,in-vitro FIABMO COc1ccc2c(c1)C[N@H+](Cc1ccccc1Cl)CC[C@H]1COC(=O)N21 ZINC000225491856 560042506 /nfs/dbraw/zinc/04/25/06/560042506.db2.gz HHYMKUDTEKOQHI-INIZCTEOSA-N 1 1 372.852 4.080 40 0 biogenic,in-vitro FIABMO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@H+](Cc1cccc(Cl)c1)C2 ZINC000225489492 560042603 /nfs/dbraw/zinc/04/26/03/560042603.db2.gz CSHRTKZPAILPJY-SFHVURJKSA-N 1 1 356.853 4.380 40 0 biogenic,in-vitro FIABMO O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccs2)C1 ZINC000004237295 560197764 /nfs/dbraw/zinc/19/77/64/560197764.db2.gz VXWYWZWSVZJIMM-LSDHHAIUSA-N 1 1 368.527 4.258 40 0 biogenic,in-vitro FIABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(F)cc1F ZINC000222966633 568583111 /nfs/dbraw/zinc/58/31/11/568583111.db2.gz NFYISCOODOLGPW-UHFFFAOYSA-N 1 1 361.779 4.008 40 0 FIABMO Fc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)cc1 ZINC000107752088 570525011 /nfs/dbraw/zinc/52/50/11/570525011.db2.gz YINWRGIHERSHJW-YADHBBJMSA-N 1 1 361.501 4.404 40 0 FIABMO Cc1cc(N(C)C)[nH+]cc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072218710 570534468 /nfs/dbraw/zinc/53/44/68/570534468.db2.gz HQLJJNLWBMRENN-IBGZPJMESA-N 1 1 353.466 4.320 40 0 FIABMO CC[N@@H+](CCO)[C@@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000004769618 570606122 /nfs/dbraw/zinc/60/61/22/570606122.db2.gz FCPMTNGZZNNVQK-ZWKOTPCHSA-N 1 1 354.277 4.082 40 0 FIABMO S=C(Nc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000035289085 570633951 /nfs/dbraw/zinc/63/39/51/570633951.db2.gz YPIBUBIYOPUOIL-IHWFROFDSA-N 1 1 351.519 4.169 40 0 FIABMO CCOc1cc(-c2[nH+]c3ccc(C)cn3c2NC[C@H]2CCCO2)ccc1O ZINC000035310778 570641051 /nfs/dbraw/zinc/64/10/51/570641051.db2.gz GCJQBQONPSUVKC-MRXNPFEDSA-N 1 1 367.449 4.005 40 0 FIABMO C[N@@H+](Cc1ccccc1OC[C@H]1CCCO1)Cc1cccc2ncccc12 ZINC000012191748 570725861 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COc1cccc(C[N@@H+]2CCCC[C@@H]2c2[nH]ncc2-c2onc(C)c2C)c1 ZINC000019557976 211233153 /nfs/dbraw/zinc/23/31/53/211233153.db2.gz WOIUKVITPVFVAA-LJQANCHMSA-N 1 1 366.465 4.417 40 0 FIABMO COc1cccc(C[N@H+]2CCCC[C@@H]2c2[nH]ncc2-c2onc(C)c2C)c1 ZINC000019557976 211233154 /nfs/dbraw/zinc/23/31/54/211233154.db2.gz WOIUKVITPVFVAA-LJQANCHMSA-N 1 1 366.465 4.417 40 0 FIABMO COc1ccc(C[NH2+][C@H](Cc2cccs2)c2nccs2)cc1OC ZINC000019561236 211232632 /nfs/dbraw/zinc/23/26/32/211232632.db2.gz KDWAMJDVUSERFE-OAHLLOKOSA-N 1 1 360.504 4.295 40 0 FIABMO O=C(c1cccs1)N1C[C@@H]2CCCC[N@H+](CCc3ccc(F)cc3)[C@@H]2C1 ZINC000019342902 211216671 /nfs/dbraw/zinc/21/66/71/211216671.db2.gz CPCXHOLMLYIMAY-PKOBYXMFSA-N 1 1 372.509 4.056 40 0 FIABMO c1ccc(COc2cccc(C[N@@H+]3[C@@H]4CC[C@H]3Cc3ncccc34)c2)nc1 ZINC000013267905 211029564 /nfs/dbraw/zinc/02/95/64/211029564.db2.gz PERVUGLBHAGGGN-WMZHIEFXSA-N 1 1 357.457 4.317 40 0 FIABMO Cc1ccc(C[N@H+]2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)o1 ZINC000049169761 221020002 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OYYJOTOFLBBMBR-KRWDZBQOSA-N 1 1 372.852 4.080 40 0 biogenic,in-vitro FIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000216330853 568118288 /nfs/dbraw/zinc/11/82/88/568118288.db2.gz UGTZKLCGMLBJMD-UHFFFAOYSA-N 1 1 371.893 4.243 40 0 FIABMO O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000032932458 568427308 /nfs/dbraw/zinc/42/73/08/568427308.db2.gz IUXWWYNSGXOWSA-DOJOMBEPSA-N 1 1 370.493 4.310 40 0 FIABMO CCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1Cl ZINC000222969160 568583304 /nfs/dbraw/zinc/58/33/04/568583304.db2.gz VTUPWFIQQIRTMG-UHFFFAOYSA-N 1 1 369.852 4.163 40 0 FIABMO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044933433 570539156 /nfs/dbraw/zinc/53/91/56/570539156.db2.gz ILTYFJLVWKILFS-XLIONFOSSA-N 1 1 354.469 4.224 40 0 FIABMO O=C(c1ccccc1Cl)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000408604910 570581449 /nfs/dbraw/zinc/58/14/49/570581449.db2.gz FUPCFROMGOZMAW-UHFFFAOYSA-N 1 1 354.881 4.003 40 0 FIABMO 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Cc1cc(Cc2ccccc2C)cc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072354177 571182245 /nfs/dbraw/zinc/18/22/45/571182245.db2.gz OVQNXPWTALHGCU-NRFANRHFSA-N 1 1 360.505 4.392 40 0 FIABMO Cc1cc(Cc2ccccc2C)cc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072354177 571182246 /nfs/dbraw/zinc/18/22/46/571182246.db2.gz OVQNXPWTALHGCU-NRFANRHFSA-N 1 1 360.505 4.392 40 0 FIABMO Cc1cccc(Cc2cc(C)nc([C@@H]3CCC[N@H+](Cc4ncc[nH]4)C3)c2)c1 ZINC000072354178 571182299 /nfs/dbraw/zinc/18/22/99/571182299.db2.gz QOTLFCAAJQKELC-OAQYLSRUSA-N 1 1 360.505 4.392 40 0 FIABMO Cc1cccc(Cc2cc(C)nc([C@@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)c2)c1 ZINC000072354178 571182302 /nfs/dbraw/zinc/18/23/02/571182302.db2.gz QOTLFCAAJQKELC-OAQYLSRUSA-N 1 1 360.505 4.392 40 0 FIABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072354669 571182463 /nfs/dbraw/zinc/18/24/63/571182463.db2.gz YYILGALBTFFQKU-SFHVURJKSA-N 1 1 365.868 4.111 40 0 FIABMO COc1cccc(Cc2cccc([C@H]3CCC[N@H+]3Cc3cccnc3)n2)c1 ZINC000072357682 571182773 /nfs/dbraw/zinc/18/27/73/571182773.db2.gz UUOAMTFAKLIYOI-HSZRJFAPSA-N 1 1 359.473 4.413 40 0 FIABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)CCCc2ccccc2)n1 ZINC000072378562 571186961 /nfs/dbraw/zinc/18/69/61/571186961.db2.gz IAQHMJJAGZTBAZ-NRFANRHFSA-N 1 1 374.488 4.262 40 0 FIABMO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072379068 571187306 /nfs/dbraw/zinc/18/73/06/571187306.db2.gz BAHRSIPDOSGRBL-IBGZPJMESA-N 1 1 361.493 4.165 40 0 FIABMO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000585182533 571238367 /nfs/dbraw/zinc/23/83/67/571238367.db2.gz GCBJPMYMECXTLG-KRWDZBQOSA-N 1 1 372.476 4.036 40 0 FIABMO C[C@H]1CCC[N@@H+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)[C@H]1C ZINC000247883934 571290925 /nfs/dbraw/zinc/29/09/25/571290925.db2.gz SGHMKUYXKPWNIZ-HOTGVXAUSA-N 1 1 370.497 4.464 40 0 FIABMO CNc1cc(CN(C)CCC2=C(C)CCCC2(C)C)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760756 571327221 /nfs/dbraw/zinc/32/72/21/571327221.db2.gz NFTXFLPREKVANC-IBGZPJMESA-N 1 1 371.573 4.291 40 0 FIABMO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000260529544 1088887882 /nfs/dbraw/zinc/88/78/82/1088887882.db2.gz HTGICZVNLJPYDU-UXHICEINSA-N 1 1 360.542 4.232 40 0 FIABMO Cc1cc(C)nc(Nc2ccc([C@@H]3CCCC[N@H+]3Cc3ccncc3)cn2)n1 ZINC000257224863 223028376 /nfs/dbraw/zinc/02/83/76/223028376.db2.gz FDSZTHXJTYRPGI-FQEVSTJZSA-N 1 1 374.492 4.354 40 0 FIABMO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@@H+](Cc3ccncc3C)C2)n1 ZINC000257323288 223065746 /nfs/dbraw/zinc/06/57/46/223065746.db2.gz WJNBCRFTLLKTAF-GOSISDBHSA-N 1 1 362.477 4.121 40 0 FIABMO Cc1nc2c(n1C(C)C)CN(Cc1cccc(C)c1)CC21CC[NH+](C)CC1 ZINC000306125862 223107260 /nfs/dbraw/zinc/10/72/60/223107260.db2.gz DDYZIOCTXFNODW-UHFFFAOYSA-N 1 1 366.553 4.060 40 0 FIABMO COc1ccccc1[C@@H](CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C)c1ccco1 ZINC000013804696 220095725 /nfs/dbraw/zinc/09/57/25/220095725.db2.gz IRQFLDPUVMQMKX-ONCXSQPRSA-N 1 1 356.510 4.129 40 0 FIABMO COc1cccc(C[N@@H+]2CCCC[C@H]2c2[nH]ncc2-c2cc(C)no2)c1 ZINC000019120929 220238344 /nfs/dbraw/zinc/23/83/44/220238344.db2.gz QUCBZICFGIWULC-SFHVURJKSA-N 1 1 352.438 4.109 40 0 FIABMO COc1cccc(C[N@H+]2CCCC[C@H]2c2[nH]ncc2-c2cc(C)no2)c1 ZINC000019120929 220238348 /nfs/dbraw/zinc/23/83/48/220238348.db2.gz QUCBZICFGIWULC-SFHVURJKSA-N 1 1 352.438 4.109 40 0 FIABMO Cc1ccsc1C[N@@H+](Cc1cccc(Oc2ncccn2)c1)C[C@H](C)O ZINC000019238594 220242834 /nfs/dbraw/zinc/24/28/34/220242834.db2.gz GDRAHUQFNOFUEK-INIZCTEOSA-N 1 1 369.490 4.022 40 0 FIABMO Cn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)no2)cn1 ZINC000019290698 220246147 /nfs/dbraw/zinc/24/61/47/220246147.db2.gz DSMHUVRHIWQJOG-LJQANCHMSA-N 1 1 354.429 4.332 40 0 FIABMO C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1nc2ccccc2s1 ZINC000019459809 220260069 /nfs/dbraw/zinc/26/00/69/220260069.db2.gz VFOWKFCUTDVYIE-SJCJKPOMSA-N 1 1 373.909 4.430 40 0 FIABMO C[C@@H](CC[N@H+]1CCc2nc([C@@H]3CCCCN3C)ncc2C1)c1ccccc1 ZINC000019455719 220257058 /nfs/dbraw/zinc/25/70/58/220257058.db2.gz XMIGJZFWLPJIND-AVRDEDQJSA-N 1 1 364.537 4.185 40 0 FIABMO COc1ccc2c(c1)c(C[N@H+](C)Cc1[nH]nc3c1CCCC3)cn2C(C)C ZINC000019454781 220258783 /nfs/dbraw/zinc/25/87/83/220258783.db2.gz GSFLXZSVJMPJBY-UHFFFAOYSA-N 1 1 366.509 4.465 40 0 FIABMO COc1ccc2c(c1)c(C[N@@H+](C)Cc1[nH]nc3c1CCCC3)cn2C(C)C ZINC000019454781 220258787 /nfs/dbraw/zinc/25/87/87/220258787.db2.gz GSFLXZSVJMPJBY-UHFFFAOYSA-N 1 1 366.509 4.465 40 0 FIABMO Cc1sc(NC(=O)Cn2cc[nH+]c2C(C)C)nc1-c1ccc(F)cc1 ZINC000019555583 220271225 /nfs/dbraw/zinc/27/12/25/220271225.db2.gz XHKUWBMRMARYEW-UHFFFAOYSA-N 1 1 358.442 4.216 40 0 FIABMO COc1ccc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)cc1OC ZINC000019561243 220274034 /nfs/dbraw/zinc/27/40/34/220274034.db2.gz AOSPIRDVFZZSIV-OAHLLOKOSA-N 1 1 360.504 4.295 40 0 FIABMO Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000019686994 220285962 /nfs/dbraw/zinc/28/59/62/220285962.db2.gz XLYKKHSVQUWGII-JOCHJYFZSA-N 1 1 364.468 4.191 40 0 FIABMO C[NH+](C)CCNCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000022075921 220377089 /nfs/dbraw/zinc/37/70/89/220377089.db2.gz KOBASWSXCLAJAF-UHFFFAOYSA-N 1 1 352.453 4.209 40 0 FIABMO CCCn1c2ccccc2nc1C[NH+]1CCC(O)(c2ccc(C)cc2)CC1 ZINC000057822784 221094469 /nfs/dbraw/zinc/09/44/69/221094469.db2.gz PLIVDKPWTFYZIV-UHFFFAOYSA-N 1 1 363.505 4.238 40 0 FIABMO Cc1cc(N)c(NC(=O)c2ccccc2F)cc1[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000226329981 132250493 /nfs/dbraw/zinc/25/04/93/132250493.db2.gz CBGYNTLMYGBBBF-ZIAGYGMSSA-N 1 1 355.457 4.451 40 0 FIABMO Cc1cc(N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000004967289 132255770 /nfs/dbraw/zinc/25/57/70/132255770.db2.gz UDINWFLUBMNJTK-UHFFFAOYSA-N 1 1 373.500 4.246 40 0 FIABMO CC[C@H](C)Nc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc[nH+]1 ZINC000329016818 132372556 /nfs/dbraw/zinc/37/25/56/132372556.db2.gz NHVYXEWAWIWKRO-LBPRGKRZSA-N 1 1 366.387 4.148 40 0 FIABMO CC[C@H](C)Nc1cc(N2CCc3cc(OC)ccc3C2)[nH+]c(C(C)C)n1 ZINC000329031246 132372780 /nfs/dbraw/zinc/37/27/80/132372780.db2.gz QIBOOBYQSCSXIB-HNNXBMFYSA-N 1 1 354.498 4.382 40 0 FIABMO Cc1nc(NC2CCCCC2)cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]1 ZINC000329051450 132372998 /nfs/dbraw/zinc/37/29/98/132372998.db2.gz UXNBUXWWVOXGHU-HNNXBMFYSA-N 1 1 366.509 4.146 40 0 FIABMO Fc1ccc(Cc2cnc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)o2)cc1 ZINC000257343380 534473439 /nfs/dbraw/zinc/47/34/39/534473439.db2.gz ZSSVVIFEBXWPLT-SFHVURJKSA-N 1 1 351.425 4.179 40 0 FIABMO COc1ccc(CN(C)C(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020044423 523999629 /nfs/dbraw/zinc/99/96/29/523999629.db2.gz YMQPXELWEAUWNF-SFHVURJKSA-N 1 1 366.505 4.199 40 0 FIABMO COc1ccc(CN(C)C(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020044421 524000262 /nfs/dbraw/zinc/00/02/62/524000262.db2.gz YMQPXELWEAUWNF-GOSISDBHSA-N 1 1 366.505 4.199 40 0 FIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CSCc1ccccc1C ZINC000216458718 527386428 /nfs/dbraw/zinc/38/64/28/527386428.db2.gz UVQNJNPMUIFVML-UHFFFAOYSA-N 1 1 365.502 4.039 40 0 FIABMO CCCC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](N(C)Cc2ccccc2)[C@H]1O ZINC000257285456 528444102 /nfs/dbraw/zinc/44/41/02/528444102.db2.gz PHDBJEUNUJQNQZ-WXFUMESZSA-N 1 1 366.549 4.313 40 0 FIABMO CC[C@@H](C)Nc1nc(N2CCc3cc(Cl)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329018826 535567227 /nfs/dbraw/zinc/56/72/27/535567227.db2.gz NSVDMCCJUCAEQS-CYBMUJFWSA-N 1 1 356.901 4.202 40 0 FIABMO COc1ccc(C(=O)Nc2cc([N@H+]3C[C@H](C)C[C@H](C)C3)c(C)cc2N)cc1 ZINC000226331333 536776399 /nfs/dbraw/zinc/77/63/99/536776399.db2.gz HRNAIMGUFRYHIM-GASCZTMLSA-N 1 1 367.493 4.320 40 0 FIABMO COc1ccc(C(=O)Nc2cc([N@@H+]3C[C@H](C)C[C@H](C)C3)c(C)cc2N)cc1 ZINC000226331333 536776408 /nfs/dbraw/zinc/77/64/08/536776408.db2.gz HRNAIMGUFRYHIM-GASCZTMLSA-N 1 1 367.493 4.320 40 0 FIABMO COc1ccccc1C(=O)Nc1cc([N@@H+]2CCC[C@H](C)C2)c(C)cc1N ZINC000226331653 537000614 /nfs/dbraw/zinc/00/06/14/537000614.db2.gz HVOYCYWTZOHQJS-AWEZNQCLSA-N 1 1 353.466 4.074 40 0 FIABMO COc1ccccc1C(=O)Nc1cc([N@H+]2CCC[C@H](C)C2)c(C)cc1N ZINC000226331653 537000618 /nfs/dbraw/zinc/00/06/18/537000618.db2.gz HVOYCYWTZOHQJS-AWEZNQCLSA-N 1 1 353.466 4.074 40 0 FIABMO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000225489532 560042657 /nfs/dbraw/zinc/04/26/57/560042657.db2.gz RTSNLYQCPGIYJA-SFHVURJKSA-N 1 1 356.853 4.380 40 0 biogenic,in-vitro FIABMO CCOP(=O)(OCC)[C@@H]1C[C@H]2C(=O)CCC[C@H]2[N@@H+]1Cc1ccccc1 ZINC000212418656 567819502 /nfs/dbraw/zinc/81/95/02/567819502.db2.gz UATNRRXZECKLMU-ZHALLVOQSA-N 1 1 365.410 4.222 40 0 FIABMO CCOP(=O)(OCC)[C@@H]1C[C@H]2C(=O)CCC[C@H]2[N@H+]1Cc1ccccc1 ZINC000212418656 567819504 /nfs/dbraw/zinc/81/95/04/567819504.db2.gz UATNRRXZECKLMU-ZHALLVOQSA-N 1 1 365.410 4.222 40 0 FIABMO COc1ccc(N(CC(=O)c2ccc(F)cc2)C2=[NH+]CCCCC2)cc1 ZINC000007275515 568230981 /nfs/dbraw/zinc/23/09/81/568230981.db2.gz DKHPEANANDKGIQ-UHFFFAOYSA-N 1 1 354.425 4.496 40 0 FIABMO O=C(Cc1cccs1)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000222959888 568582519 /nfs/dbraw/zinc/58/25/19/568582519.db2.gz CJDCDTCRSFVBDR-UHFFFAOYSA-N 1 1 359.882 4.111 40 0 FIABMO [NH3+][C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227545 570535665 /nfs/dbraw/zinc/53/56/65/570535665.db2.gz 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CN(C(=O)CC1CCCC1)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000019590846 220278168 /nfs/dbraw/zinc/27/81/68/220278168.db2.gz PJLFYPWSKNLCDY-UHFFFAOYSA-N 1 1 370.537 4.231 40 0 FIABMO O=C1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccc(Cl)cc21 ZINC000049597433 221025680 /nfs/dbraw/zinc/02/56/80/221025680.db2.gz GAEWXLLIERNCTP-UHFFFAOYSA-N 1 1 359.828 4.479 40 0 FIABMO COc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3c[nH]c4ccccc34)C2)o1 ZINC000049170019 221020266 /nfs/dbraw/zinc/02/02/66/221020266.db2.gz PQWVLVISPJKLDC-HNNXBMFYSA-N 1 1 374.444 4.216 40 0 biogenic,in-vitro FIABMO c1cc2n(c1)-c1ccccc1N[C@]21CCC[N@H+](CCOc2ccccc2)C1 ZINC000057731714 221092891 /nfs/dbraw/zinc/09/28/91/221092891.db2.gz QLKZBQJZVXKNTD-QHCPKHFHSA-N 1 1 359.473 4.273 40 0 FIABMO Cc1nc(NC2CCCCC2)cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]1 ZINC000329051451 132373158 /nfs/dbraw/zinc/37/31/58/132373158.db2.gz UXNBUXWWVOXGHU-OAHLLOKOSA-N 1 1 366.509 4.146 40 0 FIABMO CC[C@@H](C)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329066983 132373260 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ZINC000585260855 570480445 /nfs/dbraw/zinc/48/04/45/570480445.db2.gz MRDULJAXHBJNIU-INIZCTEOSA-N 1 1 369.415 4.256 40 0 FIABMO O[C@]1(COc2cccc(Cl)c2)CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000585272612 570486789 /nfs/dbraw/zinc/48/67/89/570486789.db2.gz OEQZRUWCBIJXDW-OAQYLSRUSA-N 1 1 370.880 4.227 40 0 FIABMO CC1(C)CC[C@@H]2[C@@H](CCC[N@H+]2C[C@@]2(O)CC[C@H](c3ccccc3)CC2)O1 ZINC000585286086 570494533 /nfs/dbraw/zinc/49/45/33/570494533.db2.gz MZVUQCDUEVKSBJ-FQOCKNPQSA-N 1 1 357.538 4.497 40 0 FIABMO Cc1[nH+]c(N2CCCC2)ccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072218915 570534460 /nfs/dbraw/zinc/53/44/60/570534460.db2.gz BLHLNUAYQZAJHV-FQEVSTJZSA-N 1 1 365.477 4.464 40 0 FIABMO OCc1ccc(-c2cncc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)cc1 ZINC000072359361 570546014 /nfs/dbraw/zinc/54/60/14/570546014.db2.gz MNTVWYGJVLCLNI-QFIPXVFZSA-N 1 1 373.500 4.058 40 0 FIABMO Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C2CCCC2)cc1 ZINC000004887491 570612321 /nfs/dbraw/zinc/61/23/21/570612321.db2.gz 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40 0 FIABMO OCc1ccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072348844 571180174 /nfs/dbraw/zinc/18/01/74/571180174.db2.gz ZZTYRKAJQCDFPA-OAQYLSRUSA-N 1 1 359.473 4.016 40 0 FIABMO COc1cccc(Cc2cccc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348824 571180189 /nfs/dbraw/zinc/18/01/89/571180189.db2.gz LYONUDKCBQWRCL-NRFANRHFSA-N 1 1 373.500 4.456 40 0 FIABMO Cn1ccnc1C[N@H+]1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072350001 571181279 /nfs/dbraw/zinc/18/12/79/571181279.db2.gz VUWPPAFDLYPENZ-QGZVFWFLSA-N 1 1 350.441 4.001 40 0 FIABMO Cn1cc(C[N@H+]2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)cn1 ZINC000072349952 571181470 /nfs/dbraw/zinc/18/14/70/571181470.db2.gz DYOIHNICOKYEGD-KRWDZBQOSA-N 1 1 350.441 4.001 40 0 FIABMO CCn1ccnc1C[N@H+]1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072350275 571181776 /nfs/dbraw/zinc/18/17/76/571181776.db2.gz WCFDUIUKTRFXAK-KRWDZBQOSA-N 1 1 364.468 4.484 40 0 FIABMO Cc1cnc(Nc2cc([C@@H]3CCC[N@@H+]3Cc3cccnc3)nc(C)n2)s1 ZINC000072360209 571184351 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O=C1CC[C@@]2(CCC[N@H+](Cc3cccc(F)c3)CC2)N1Cc1ccccc1 ZINC000585100124 571221180 /nfs/dbraw/zinc/22/11/80/571221180.db2.gz GFEBNZLOTOPTTI-HSZRJFAPSA-N 1 1 366.480 4.373 40 0 FIABMO CC(C)[N@H+]1CC[C@H](CCc2ccc(NC(=O)[C@H]3CCCO3)cc2)[C@H](C)C1 ZINC000247980925 571291001 /nfs/dbraw/zinc/29/10/01/571291001.db2.gz HCJTYJZVXXRLGC-SLYNCCJLSA-N 1 1 358.526 4.103 40 0 FIABMO C[N@H+]1CCCCC[C@@H]2N(C(=O)c3ccncc3)[C@H](c3ccccc3)C[C@@]21C ZINC000019713524 571304776 /nfs/dbraw/zinc/30/47/76/571304776.db2.gz FRQSIJHEUCURCT-FUDKSRODSA-N 1 1 363.505 4.302 40 0 FIABMO Fc1ccc(OCc2cc([C@H]3CC[N@@H+](CCc4ccccc4)C3)n[nH]2)cc1 ZINC000019738942 571304854 /nfs/dbraw/zinc/30/48/54/571304854.db2.gz ZDXTVHJFVBLJGJ-SFHVURJKSA-N 1 1 365.452 4.160 40 0 FIABMO Fc1ccc(OCc2cc([C@H]3CC[N@H+](CCc4ccccc4)C3)[nH]n2)cc1 ZINC000019738942 571304855 /nfs/dbraw/zinc/30/48/55/571304855.db2.gz ZDXTVHJFVBLJGJ-SFHVURJKSA-N 1 1 365.452 4.160 40 0 FIABMO Fc1ccc(OCc2cc([C@H]3CC[N@@H+](CCc4ccccc4)C3)[nH]n2)cc1 ZINC000019738942 571304857 /nfs/dbraw/zinc/30/48/57/571304857.db2.gz ZDXTVHJFVBLJGJ-SFHVURJKSA-N 1 1 365.452 4.160 40 0 FIABMO [NH3+][C@H](c1nnc(-c2ccc(C(F)(F)F)cc2)[nH]1)c1ccc(Cl)cc1 ZINC000095534005 571331325 /nfs/dbraw/zinc/33/13/25/571331325.db2.gz BEYXYCCQWXMRCH-ZDUSSCGKSA-N 1 1 352.747 4.192 40 0 FIABMO CC(C)(C)OC(=O)[C@@H]([NH3+])CSCC1c2ccccc2-c2ccccc21 ZINC000095627592 571331666 /nfs/dbraw/zinc/33/16/66/571331666.db2.gz CTAIOSHIAIOAFV-IBGZPJMESA-N 1 1 355.503 4.201 40 0 FIABMO Cc1ccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCCCCC2)cc1 ZINC000000883936 219336519 /nfs/dbraw/zinc/33/65/19/219336519.db2.gz ARPSYPCLVXUHDY-HXUWFJFHSA-N 1 1 353.514 4.452 40 0 FIABMO Fc1ccccc1C[N@H+]1CCC[C@@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257329400 223068089 /nfs/dbraw/zinc/06/80/89/223068089.db2.gz XJVKBVZKACJWOK-QGZVFWFLSA-N 1 1 363.440 4.134 40 0 FIABMO Fc1ccccc1Cc1cnc([C@@H]2CCC[N@@H+](CC3CCOCC3)C2)o1 ZINC000257341293 223072184 /nfs/dbraw/zinc/07/21/84/223072184.db2.gz ZJTDVGPWDZESAK-GOSISDBHSA-N 1 1 358.457 4.011 40 0 FIABMO CC(C)c1ncc(C[N@@H+](CCCn2ccnc2)Cc2cccc(F)c2)cn1 ZINC000013991157 220102111 /nfs/dbraw/zinc/10/21/11/220102111.db2.gz WCDWWKRPMCLQGA-UHFFFAOYSA-N 1 1 367.472 4.028 40 0 FIABMO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCC[N@@H+](CC4CCCCC4)[C@@H]32)cc1 ZINC000019019345 220233917 /nfs/dbraw/zinc/23/39/17/220233917.db2.gz DWLUXXUURVRIMV-DNVJHFABSA-N 1 1 370.537 4.054 40 0 FIABMO Cc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2sccc2C)s1 ZINC000019238576 220242743 /nfs/dbraw/zinc/24/27/43/220242743.db2.gz MJKGKICUEPZEFD-UHFFFAOYSA-N 1 1 364.580 4.151 40 0 FIABMO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000019289298 220245255 /nfs/dbraw/zinc/24/52/55/220245255.db2.gz GSSHBFNXPRRFCN-QGZVFWFLSA-N 1 1 368.506 4.080 40 0 FIABMO COc1ccccc1C[N@H+]1CCC[C@H](c2nnc(-c3ccc(C)s3)o2)C1 ZINC000019217639 220241327 /nfs/dbraw/zinc/24/13/27/220241327.db2.gz CWHGKWVUWDWXEV-INIZCTEOSA-N 1 1 369.490 4.495 40 0 FIABMO CCC(CC)C(=O)N(C)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000019500049 220263862 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