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[N@H+]2CCc3nc(C)[nH]c(=O)c3CC2)ccc1OC(F)F ZINC000019286430 539653219 /nfs/dbraw/zinc/65/32/19/539653219.db2.gz NANRUDGMPVSYJV-UHFFFAOYSA-N 1 1 365.380 2.289 40 0 FEABMO COc1cc(C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)cc(OC)c1OC ZINC000019285200 539653392 /nfs/dbraw/zinc/65/33/92/539653392.db2.gz HYARLXJZWVTECV-CQSZACIVSA-N 1 1 359.426 2.094 40 0 FEABMO C[C@@H](CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2)n1cccn1 ZINC000019455329 539657660 /nfs/dbraw/zinc/65/76/60/539657660.db2.gz STXWLTPUALOHSZ-YJBOKZPZSA-N 1 1 368.485 2.366 40 0 FEABMO C[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000019496492 539658700 /nfs/dbraw/zinc/65/87/00/539658700.db2.gz UESQDFYMSNYBDQ-IAGOWNOFSA-N 1 1 372.513 2.018 40 0 FEABMO Cc1[nH+]ccn1CC1(O)CCN(C(=O)c2oc3c(c2C)C(=O)CCC3)CC1 ZINC000019565226 539660908 /nfs/dbraw/zinc/66/09/08/539660908.db2.gz ISBVBIZCUUOWGZ-UHFFFAOYSA-N 1 1 371.437 2.279 40 0 FEABMO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2cn(C)nc2C)n1 ZINC000019573785 539662104 /nfs/dbraw/zinc/66/21/04/539662104.db2.gz QYXGNYIWARSJNR-GOSISDBHSA-N 1 1 357.458 2.198 40 0 FEABMO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2cn(C)nc2C)n1 ZINC000019573785 539662107 /nfs/dbraw/zinc/66/21/07/539662107.db2.gz QYXGNYIWARSJNR-GOSISDBHSA-N 1 1 357.458 2.198 40 0 FEABMO CCc1[nH+]ccn1[C@@H](C)C(=O)N1CC(C(=O)Nc2cccc(OC)c2)C1 ZINC000019747669 539668210 /nfs/dbraw/zinc/66/82/10/539668210.db2.gz COMFQYHSKWRHAC-ZDUSSCGKSA-N 1 1 356.426 2.112 40 0 FEABMO CC(=O)N1CCN(c2cc(C)nc([C@@H]3CC[N@@H+](C4CCOCC4)C3)c2)CC1 ZINC000019739080 539668478 /nfs/dbraw/zinc/66/84/78/539668478.db2.gz HLHAWLNYSWYCJH-GOSISDBHSA-N 1 1 372.513 2.027 40 0 FEABMO CC(=O)N1CCN(c2cc(C)nc([C@@H]3CC[N@H+](C4CCOCC4)C3)c2)CC1 ZINC000019739080 539668481 /nfs/dbraw/zinc/66/84/81/539668481.db2.gz HLHAWLNYSWYCJH-GOSISDBHSA-N 1 1 372.513 2.027 40 0 FEABMO CC(=O)Nc1ccc(C(=O)N2CCC(Cc3cc(N)nc(C)[nH+]3)CC2)cc1 ZINC000019758374 539669135 /nfs/dbraw/zinc/66/91/35/539669135.db2.gz XKCISLFWCPGPJD-UHFFFAOYSA-N 1 1 367.453 2.421 40 0 FEABMO O=C(NCCN1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030944327 539894337 /nfs/dbraw/zinc/89/43/37/539894337.db2.gz KRLGCSCAYUSCFJ-QGZVFWFLSA-N 1 1 365.905 2.000 40 0 FEABMO C[N@H+]1CCn2c(nnc2[C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000072373901 541803463 /nfs/dbraw/zinc/80/34/63/541803463.db2.gz XXFSQKCEYLIISX-QGZVFWFLSA-N 1 1 364.453 2.111 40 0 FEABMO Cc1ccc2c(c1)CN(C(=O)[C@@H](N)c1ccccc1)[C@H](C[NH+](C)C)CO2 ZINC000072395244 541803885 /nfs/dbraw/zinc/80/38/85/541803885.db2.gz QCKSAKOZTZDKTA-QUCCMNQESA-N 1 1 353.466 2.346 40 0 FEABMO COC(=O)C1=CO[C@@H](C)[C@@H]2C[N@H+]3CC[C@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]12 ZINC000008829465 204345932 /nfs/dbraw/zinc/34/59/32/204345932.db2.gz JMIAZDVHNCCPDM-QLMFUGSGSA-N 1 1 368.433 2.063 40 0 biogenic,in-vitro FEABMO O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@H]2O1 ZINC000097953811 205928543 /nfs/dbraw/zinc/92/85/43/205928543.db2.gz DRWDEMAXIWZWPO-QXAKKESOSA-N 1 1 355.438 2.013 40 0 FEABMO O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@H]2O1 ZINC000097953811 205928545 /nfs/dbraw/zinc/92/85/45/205928545.db2.gz DRWDEMAXIWZWPO-QXAKKESOSA-N 1 1 355.438 2.013 40 0 FEABMO Cn1cc(C[N@@H+]2CCOC[C@@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)cn1 ZINC000107243509 206016937 /nfs/dbraw/zinc/01/69/37/206016937.db2.gz ILWYDAACRFFTRI-OXJNMPFZSA-N 1 1 374.460 2.279 40 0 FEABMO Cn1cc(C[N@H+]2CCOC[C@@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)cn1 ZINC000107243509 206016944 /nfs/dbraw/zinc/01/69/44/206016944.db2.gz ILWYDAACRFFTRI-OXJNMPFZSA-N 1 1 374.460 2.279 40 0 FEABMO O=C(C[NH+]1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000902125 206140284 /nfs/dbraw/zinc/14/02/84/206140284.db2.gz GMSCRIVVGSXEAX-UHFFFAOYSA-N 1 1 365.499 2.286 40 0 FEABMO NC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000004475341 206176746 /nfs/dbraw/zinc/17/67/46/206176746.db2.gz HFHFPCVDUCBNLG-LJQANCHMSA-N 1 1 370.424 2.454 40 0 in-vitro FEABMO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(O)(c2ccc3c(c2)OCO3)CC1 ZINC000004967577 206186966 /nfs/dbraw/zinc/18/69/66/206186966.db2.gz ZCSDJVGKLBEGCJ-NVXWUHKLSA-N 1 1 374.481 2.394 40 0 FEABMO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)C1 ZINC000014607419 206310839 /nfs/dbraw/zinc/31/08/39/206310839.db2.gz LFLCPOZBYHTADZ-DOTOQJQBSA-N 1 1 358.438 2.210 40 0 FEABMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)C1 ZINC000014607419 206310843 /nfs/dbraw/zinc/31/08/43/206310843.db2.gz LFLCPOZBYHTADZ-DOTOQJQBSA-N 1 1 358.438 2.210 40 0 FEABMO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CN(c4ccccc4)C(=O)CO3)C2)o1 ZINC000096051269 132217924 /nfs/dbraw/zinc/21/79/24/132217924.db2.gz OWUOVAJAZYCNAB-FQEVSTJZSA-N 1 1 356.422 2.222 40 0 FEABMO Cc1ccc(C[N@H+]2CCOC[C@@]3(CN(c4ccccc4)C(=O)CO3)C2)o1 ZINC000096051269 132217925 /nfs/dbraw/zinc/21/79/25/132217925.db2.gz OWUOVAJAZYCNAB-FQEVSTJZSA-N 1 1 356.422 2.222 40 0 FEABMO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000096230460 132223012 /nfs/dbraw/zinc/22/30/12/132223012.db2.gz LTKZJKKEDBURKR-HXUWFJFHSA-N 1 1 354.429 2.144 40 0 FEABMO O=C(C[C@]12COC[C@H]1C[N@@H+](Cc1ccccc1)C2)NCc1cccnc1 ZINC000096206403 542995009 /nfs/dbraw/zinc/99/50/09/542995009.db2.gz UBRYCJFUSAGRAD-CTNGQTDRSA-N 1 1 351.450 2.237 40 0 FEABMO COCC(=O)NC[C@@H]1CCC[C@]2(CC[N@@H+](Cc3ccccc3F)C2)O1 ZINC000096216459 542995891 /nfs/dbraw/zinc/99/58/91/542995891.db2.gz ZJWXVTYPDWPUBW-QFBILLFUSA-N 1 1 350.434 2.102 40 0 FEABMO Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccnnc3)C2)C1 ZINC000096216010 542995963 /nfs/dbraw/zinc/99/59/63/542995963.db2.gz YVKWPBTXWLKNTF-LJQANCHMSA-N 1 1 355.442 2.210 40 0 FEABMO O=C(C[C@H]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2O1)NCc1cccnc1 ZINC000096208436 542996014 /nfs/dbraw/zinc/99/60/14/542996014.db2.gz QNIPDGDCYSLQLV-LZLYRXPVSA-N 1 1 357.479 2.439 40 0 FEABMO c1csc(CN2CCO[C@]3(C2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC000096229442 542997251 /nfs/dbraw/zinc/99/72/51/542997251.db2.gz KRAVOCAZNCUHIB-LJQANCHMSA-N 1 1 359.495 2.247 40 0 FEABMO c1csc(CN2CCO[C@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096229442 542997253 /nfs/dbraw/zinc/99/72/53/542997253.db2.gz KRAVOCAZNCUHIB-LJQANCHMSA-N 1 1 359.495 2.247 40 0 FEABMO c1csc(C[N@@H+]2CCO[C@]3(C2)COCCN(Cc2ccncc2)C3)c1 ZINC000096229442 542997257 /nfs/dbraw/zinc/99/72/57/542997257.db2.gz KRAVOCAZNCUHIB-LJQANCHMSA-N 1 1 359.495 2.247 40 0 FEABMO c1csc(C[N@H+]2CCO[C@]3(C2)COCCN(Cc2ccncc2)C3)c1 ZINC000096229442 542997259 /nfs/dbraw/zinc/99/72/59/542997259.db2.gz KRAVOCAZNCUHIB-LJQANCHMSA-N 1 1 359.495 2.247 40 0 FEABMO O=C1C[C@@]2(CC[N@@H+](Cc3cccnc3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050780 542989445 /nfs/dbraw/zinc/98/94/45/542989445.db2.gz CYLYVVAGTRHAQB-HXUWFJFHSA-N 1 1 351.406 2.439 40 0 FEABMO Fc1cnc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)nc1 ZINC000096048532 542989468 /nfs/dbraw/zinc/98/94/68/542989468.db2.gz OBMSIIRJZUVDBG-AEFFLSMTSA-N 1 1 350.438 2.078 40 0 FEABMO O=C(NCc1ccccn1)[C@H]1C[C@@H]2CC[N@@H+](Cc3cccs3)C[C@@H]2O1 ZINC000096066317 542989850 /nfs/dbraw/zinc/98/98/50/542989850.db2.gz KAVQVIZSVGXKCO-QGTPRVQTSA-N 1 1 357.479 2.439 40 0 FEABMO CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000096066300 542989928 /nfs/dbraw/zinc/98/99/28/542989928.db2.gz BZCDMRLQNPMLIF-UHOSZYNNSA-N 1 1 355.438 2.313 40 0 FEABMO CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000096066300 542989931 /nfs/dbraw/zinc/98/99/31/542989931.db2.gz BZCDMRLQNPMLIF-UHOSZYNNSA-N 1 1 355.438 2.313 40 0 FEABMO CCOC(=O)[C@@]12C[N@@H+](CCOC)C[C@@H]1CN(Cc1ccc(C)o1)CCC2 ZINC000096055961 542990003 /nfs/dbraw/zinc/99/00/03/542990003.db2.gz IEMMPGFCMXDKOS-PXNSSMCTSA-N 1 1 364.486 2.312 40 0 FEABMO COc1ccc(C[N@H+]2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC000096062507 542990158 /nfs/dbraw/zinc/99/01/58/542990158.db2.gz KPOXHPLOKUFXOT-FQEVSTJZSA-N 1 1 354.454 2.214 40 0 FEABMO Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NC[C@H](C)Cn3cc[nH+]c3C)C2)n1 ZINC000172130425 327182582 /nfs/dbraw/zinc/18/25/82/327182582.db2.gz PWWLGJADKXMFDX-KBXCAEBGSA-N 1 1 373.505 2.158 40 0 FEABMO CCO[C@@H]1CC[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000390823187 520324053 /nfs/dbraw/zinc/32/40/53/520324053.db2.gz VQCWRPMIHXJERW-MLMGXCOMSA-N 1 1 371.477 2.361 40 0 FEABMO COc1ccc(S[C@H](C)C(=O)NCCC[NH+]2CCOCC2)cc1OC ZINC000020451910 525111175 /nfs/dbraw/zinc/11/11/75/525111175.db2.gz QRMVOJMVRRUHCP-CQSZACIVSA-N 1 1 368.499 2.023 40 0 FEABMO O=C(c1cnc(-c2ccccc2)[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019937283 526869710 /nfs/dbraw/zinc/86/97/10/526869710.db2.gz LGMPTKUXVZNBAE-UHFFFAOYSA-N 1 1 374.444 2.395 40 0 FEABMO O=C(C[C@@H]1C[N@@H+](C2CCCC2)Cc2ccnn21)NCCc1ccncc1 ZINC000247840463 549385616 /nfs/dbraw/zinc/38/56/16/549385616.db2.gz FGMBFDLMUJSXOO-LJQANCHMSA-N 1 1 353.470 2.326 40 0 FEABMO O=C(C[C@@H]1C[N@H+](C2CCCC2)Cc2ccnn21)NCCc1ccncc1 ZINC000247840463 549385620 /nfs/dbraw/zinc/38/56/20/549385620.db2.gz FGMBFDLMUJSXOO-LJQANCHMSA-N 1 1 353.470 2.326 40 0 FEABMO Cc1cccc(C[NH+]2CC3(C2)C[C@H](OCC(=O)N2CCCC2)CS3)n1 ZINC000247870999 549387848 /nfs/dbraw/zinc/38/78/48/549387848.db2.gz LDUXKKHHDUMWHD-KRWDZBQOSA-N 1 1 361.511 2.089 40 0 FEABMO Cn1cc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)cn1 ZINC000248101824 549407396 /nfs/dbraw/zinc/40/73/96/549407396.db2.gz DYNHYPXGSFAQGI-PMACEKPBSA-N 1 1 356.470 2.403 40 0 FEABMO CCC(CC)C(=O)N1CCN2[C@@H](C1)C[N@@H+](Cc1ccccc1)C[C@@]2(C)CO ZINC000253399496 549686527 /nfs/dbraw/zinc/68/65/27/549686527.db2.gz JMSQTGKBGXBCJH-IRLDBZIGSA-N 1 1 373.541 2.202 40 0 biogenic,in-vitro FEABMO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(Cc2cnc[nH]2)CCO1 ZINC000257202305 549717057 /nfs/dbraw/zinc/71/70/57/549717057.db2.gz ALFCEEVWQMOBRQ-CQSZACIVSA-N 1 1 371.466 2.295 40 0 FEABMO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2cnc(Nc3ncccn3)cn2)C1 ZINC000257223183 549719076 /nfs/dbraw/zinc/71/90/76/549719076.db2.gz DWHAEZMZXWSNNQ-CQSZACIVSA-N 1 1 350.430 2.123 40 0 FEABMO Cn1ccnc1C[N@H+]1CCC[C@@H](c2cnc(Nc3ncccn3)cn2)C1 ZINC000257223183 549719080 /nfs/dbraw/zinc/71/90/80/549719080.db2.gz DWHAEZMZXWSNNQ-CQSZACIVSA-N 1 1 350.430 2.123 40 0 FEABMO CCn1cc(C(=O)N(C)C[C@H]2C[C@]3(C)[C@@H](CCCC[C@]3(C)O)[N@H+]2C)cn1 ZINC000257236092 549719548 /nfs/dbraw/zinc/71/95/48/549719548.db2.gz HASOXBDTHCSFCT-LFGUQSLTSA-N 1 1 362.518 2.379 40 0 FEABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)c1cnn(C)c1 ZINC000257259066 549721940 /nfs/dbraw/zinc/72/19/40/549721940.db2.gz KWSJXZWTUWKKPV-WKILWMFISA-N 1 1 372.517 2.261 40 0 FEABMO C[N@H+]1CCN(C(=O)c2cncnc2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257256812 549722124 /nfs/dbraw/zinc/72/21/24/549722124.db2.gz KNABAFVJTSILPN-MRXNPFEDSA-N 1 1 361.449 2.271 40 0 FEABMO Cc1nc(Nc2cc([C@@H]3CC[N@@H+](CC(=O)N(C)C)C3)nc(C)n2)sc1C ZINC000257252181 549722217 /nfs/dbraw/zinc/72/22/17/549722217.db2.gz JTVBDDRBMKDSOP-CQSZACIVSA-N 1 1 374.514 2.479 40 0 FEABMO Cc1nc(Nc2cc([C@@H]3CC[N@H+](CC(=O)N(C)C)C3)nc(C)n2)sc1C ZINC000257252181 549722219 /nfs/dbraw/zinc/72/22/19/549722219.db2.gz JTVBDDRBMKDSOP-CQSZACIVSA-N 1 1 374.514 2.479 40 0 FEABMO CC(=O)N1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)C[N@H+](Cc3cccnc3)[C@@H]2C1 ZINC000257267736 549723383 /nfs/dbraw/zinc/72/33/83/549723383.db2.gz MIOPKNXCFQTCCM-CBPXPLCBSA-N 1 1 365.477 2.279 40 0 FEABMO Nc1nc2c(c(N)n1)C[C@@]1(CCC[N@@H+](CCCc3ccccc3)CC1)O2 ZINC000257296820 549725339 /nfs/dbraw/zinc/72/53/39/549725339.db2.gz REMZINLEMSKFCX-FQEVSTJZSA-N 1 1 353.470 2.433 40 0 FEABMO C[C@]1(O)C[N@@H+](Cc2ccc(OCCO)cc2)CC[C@@H]1Oc1ccccc1 ZINC000257290025 549725440 /nfs/dbraw/zinc/72/54/40/549725440.db2.gz QBENGPAWTVUWMI-SFTDATJTSA-N 1 1 357.450 2.462 40 0 FEABMO C[N@H+]1CCN(C(=O)c2ccnnc2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257315373 549727254 /nfs/dbraw/zinc/72/72/54/549727254.db2.gz VBBLOQLFVZMQDA-INIZCTEOSA-N 1 1 361.449 2.271 40 0 FEABMO Cc1c2ccccc2oc1C(=O)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257333835 549728701 /nfs/dbraw/zinc/72/87/01/549728701.db2.gz YDGUJKIVFOXDOI-IRXDYDNUSA-N 1 1 358.438 2.039 40 0 FEABMO CC(=O)NCC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@H+]2C ZINC000257327599 549728736 /nfs/dbraw/zinc/72/87/36/549728736.db2.gz XBZWJDDJDNQRLF-QWPXSNKBSA-N 1 1 369.509 2.208 40 0 FEABMO Cn1ccnc1C[NH+]1CCC(Cc2cnc(Nc3cnccn3)cn2)CC1 ZINC000257335522 549728776 /nfs/dbraw/zinc/72/87/76/549728776.db2.gz YKNSIWDELVHSJS-UHFFFAOYSA-N 1 1 364.457 2.198 40 0 FEABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@H+](CC3CC3)C[C@@H]1C2 ZINC000306124721 553748319 /nfs/dbraw/zinc/74/83/19/553748319.db2.gz BXRYBRDQIMXSTM-UONOGXRCSA-N 1 1 355.417 2.184 40 0 FEABMO O=C(NC1CC1)c1nnc2n1C[C@H]1C[N@H+](Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306124367 553748353 /nfs/dbraw/zinc/74/83/53/553748353.db2.gz BNPLARKLEQLRQW-UONOGXRCSA-N 1 1 371.872 2.128 40 0 FEABMO C[N@@H+]1CC[C@H](COCc2ccncc2)CC12CN(C(=O)C1(F)CCC1)C2 ZINC000306130871 553748752 /nfs/dbraw/zinc/74/87/52/553748752.db2.gz JROWWQQTWLJABL-KRWDZBQOSA-N 1 1 361.461 2.413 40 0 FEABMO C[N@H+]1CC[C@H](COCc2ccncc2)CC12CN(C(=O)C1(F)CCC1)C2 ZINC000306130871 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204282021 /nfs/dbraw/zinc/28/20/21/204282021.db2.gz MGDQULOSCRUSLX-AWEZNQCLSA-N 1 1 356.451 2.351 40 0 biogenic,in-vitro FEABMO CS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](c3nc4cccnc4[nH]3)C2)cc1 ZINC000035442899 204282027 /nfs/dbraw/zinc/28/20/27/204282027.db2.gz MGDQULOSCRUSLX-AWEZNQCLSA-N 1 1 356.451 2.351 40 0 biogenic,in-vitro FEABMO C[C@@H]1Cc2cc([C@H](O)C[N@@H+]3C[C@H](C)C[C@H](C)C3)ccc2N1S(C)(=O)=O ZINC000036740055 204387932 /nfs/dbraw/zinc/38/79/32/204387932.db2.gz YRZSGKKPOBJZAB-NXEZDXNNSA-N 1 1 366.527 2.409 40 0 FEABMO O=C(COc1ccccc1F)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000053318257 205191657 /nfs/dbraw/zinc/19/16/57/205191657.db2.gz JQYYRCJYRDJYSE-UHFFFAOYSA-N 1 1 358.413 2.353 40 0 FEABMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1 ZINC000054670819 206335875 /nfs/dbraw/zinc/33/58/75/206335875.db2.gz OHEWRGOAIJXQLH-NVXWUHKLSA-N 1 1 358.438 2.210 40 0 FEABMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1 ZINC000054670819 206335880 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2.046 40 0 FEABMO COc1ccc(C[N@H+]2CCOC[C@@]3(C[C@H](Cn4ccnc4)CO3)C2)cc1 ZINC000096052072 542990054 /nfs/dbraw/zinc/99/00/54/542990054.db2.gz MJUFYZKUQWDMKV-UYAOXDASSA-N 1 1 357.454 2.199 40 0 FEABMO C(OC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCOCC2)O1)C1CCOCC1 ZINC000096056430 542990449 /nfs/dbraw/zinc/99/04/49/542990449.db2.gz ILMHPOCGQHHVDM-VAMGGRTRSA-N 1 1 353.503 2.478 40 0 FEABMO Cc1nc(C)n(C[C@H]2CCCN(C(=O)NC[C@H](C)Cn3cc[nH+]c3C)C2)n1 ZINC000172130429 327182636 /nfs/dbraw/zinc/18/26/36/327182636.db2.gz PWWLGJADKXMFDX-KSSFIOAISA-N 1 1 373.505 2.158 40 0 FEABMO Cc1cccc(CS(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000224730063 548729600 /nfs/dbraw/zinc/72/96/00/548729600.db2.gz LPRTXDZKQVAPMW-UHFFFAOYSA-N 1 1 374.506 2.447 40 0 FEABMO COC(=O)C1=CO[C@H](C)[C@@H]2C[N@H+]3CC[C@@]4(C(=O)Nc5ccccc54)[C@H]3C[C@H]12 ZINC000238760647 548881875 /nfs/dbraw/zinc/88/18/75/548881875.db2.gz JMIAZDVHNCCPDM-YCPLKFPCSA-N 1 1 368.433 2.063 40 0 FEABMO COc1ccc(C[N@H+]2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)cc1 ZINC000247919910 549391644 /nfs/dbraw/zinc/39/16/44/549391644.db2.gz XHVFBHSSGWWOQO-PMACEKPBSA-N 1 1 357.454 2.342 40 0 FEABMO COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CCN(C(=O)c1ccnn1C)CC2 ZINC000248072059 549404532 /nfs/dbraw/zinc/40/45/32/549404532.db2.gz XXYJRMJFCFIORR-INIZCTEOSA-N 1 1 372.469 2.014 40 0 FEABMO Cc1cncc(C(=O)N2CC3(C2)C[C@@H](COc2ccccn2)CC[N@H+]3C)c1 ZINC000248118847 549407175 /nfs/dbraw/zinc/40/71/75/549407175.db2.gz JLAMOXCRLKJEQX-KRWDZBQOSA-N 1 1 366.465 2.400 40 0 FEABMO Cc1cncc(C(=O)N2CC3(C2)C[C@@H](COc2ccccn2)CC[N@@H+]3C)c1 ZINC000248118847 549407179 /nfs/dbraw/zinc/40/71/79/549407179.db2.gz JLAMOXCRLKJEQX-KRWDZBQOSA-N 1 1 366.465 2.400 40 0 FEABMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)C1 ZINC000250669779 549643824 /nfs/dbraw/zinc/64/38/24/549643824.db2.gz LFLCPOZBYHTADZ-WBVHZDCISA-N 1 1 358.438 2.210 40 0 FEABMO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)C1 ZINC000250669779 549643825 /nfs/dbraw/zinc/64/38/25/549643825.db2.gz LFLCPOZBYHTADZ-WBVHZDCISA-N 1 1 358.438 2.210 40 0 FEABMO CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2C[N@@H+](C3CCC3)CCN21 ZINC000253403864 549686752 /nfs/dbraw/zinc/68/67/52/549686752.db2.gz QOFCWFOZADXGEI-KRWDZBQOSA-N 1 1 363.527 2.008 40 0 biogenic,in-vitro FEABMO CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2C[N@H+](C3CCC3)CCN21 ZINC000253403864 549686755 /nfs/dbraw/zinc/68/67/55/549686755.db2.gz QOFCWFOZADXGEI-KRWDZBQOSA-N 1 1 363.527 2.008 40 0 biogenic,in-vitro FEABMO C[N@H+]1CCN(C(=O)c2cnco2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257204245 549717571 /nfs/dbraw/zinc/71/75/71/549717571.db2.gz ATRUKEPQPDLJOU-HNNXBMFYSA-N 1 1 350.422 2.469 40 0 FEABMO O=C1N[C@@H](c2ccccc2)[C@H](O)CC12CC[NH+](Cc1ncccc1F)CC2 ZINC000257237184 549720038 /nfs/dbraw/zinc/72/00/38/549720038.db2.gz HFMMGZZVZCUQMC-MOPGFXCFSA-N 1 1 369.440 2.425 40 0 FEABMO COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(C(=O)c4cccc(=O)[nH]4)C[C@@H]32)cc1 ZINC000257250241 549721150 /nfs/dbraw/zinc/72/11/50/549721150.db2.gz JLSBJVOVXNOTDE-ZHALLVOQSA-N 1 1 367.449 2.356 40 0 FEABMO O=C(c1cncs1)N1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257255239 549721832 /nfs/dbraw/zinc/72/18/32/549721832.db2.gz KGRWNZNOLAEEBW-HKUYNNGSSA-N 1 1 357.479 2.385 40 0 FEABMO CN(C)c1nc([C@H]2CCCC[N@H+]2CC2(O)CCOCC2)cn2cccc12 ZINC000257259919 549722135 /nfs/dbraw/zinc/72/21/35/549722135.db2.gz LAQYKWZSOVZLDZ-QGZVFWFLSA-N 1 1 358.486 2.469 40 0 FEABMO Cc1cncc([C@H]2CCCN(C(=O)CC[N@H+](C)Cc3ccccn3)C2)n1 ZINC000257277952 549723860 /nfs/dbraw/zinc/72/38/60/549723860.db2.gz OADFVAPHXUOVLL-KRWDZBQOSA-N 1 1 353.470 2.408 40 0 FEABMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccccn3)C2)cc(C(=O)N(C)C)n1 ZINC000257288808 549725287 /nfs/dbraw/zinc/72/52/87/549725287.db2.gz PVUNPWVUODYBQJ-MRXNPFEDSA-N 1 1 353.470 2.337 40 0 FEABMO Cc1nc2ccccc2n1CCC(=O)N[C@@H]1CC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257314586 549727398 /nfs/dbraw/zinc/72/73/98/549727398.db2.gz UXQAHFPFIIQEAT-YVWKXTFCSA-N 1 1 367.453 2.121 40 0 FEABMO COc1ncccc1C[N@@H+]1C[C@H]2OC[C@@H](CNC(=O)c3ccsc3)[C@H]2C1 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WAFYVXYSYKEKNC-ICSRJNTNSA-N 1 1 367.461 2.006 40 0 FEABMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(OCCF)cc1 ZINC000585293246 570497327 /nfs/dbraw/zinc/49/73/27/570497327.db2.gz SQUAQDYJAOZMNX-VAMGGRTRSA-N 1 1 363.404 2.495 40 0 FEABMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCc2nnc(-c3ccccc3)o2)C1 ZINC000664501285 571144090 /nfs/dbraw/zinc/14/40/90/571144090.db2.gz TWVZXWKJRJDLEL-OAHLLOKOSA-N 1 1 357.458 2.451 40 0 FEABMO O=S(=O)(NCC[C@@H]1Cn2cccc2C[N@H+](C2CCCC2)C1)C1CC1 ZINC000585095512 571220323 /nfs/dbraw/zinc/22/03/23/571220323.db2.gz UUNICPIICQGUEV-OAHLLOKOSA-N 1 1 351.516 2.334 40 0 FEABMO Cc1ccc(C[NH+]2CC3(C2)OCC[C@H]3CCNS(=O)(=O)C2CC2)cc1 ZINC000585103723 571222778 /nfs/dbraw/zinc/22/27/78/571222778.db2.gz ZGPTWWHQCNEFPR-QGZVFWFLSA-N 1 1 364.511 2.058 40 0 FEABMO CCn1ncc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c1C ZINC000012122053 539545111 /nfs/dbraw/zinc/54/51/11/539545111.db2.gz RAEISJMHLGVYLQ-UHFFFAOYSA-N 1 1 350.426 2.327 40 0 FEABMO CCn1ncc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c1C ZINC000012122053 539545114 /nfs/dbraw/zinc/54/51/14/539545114.db2.gz RAEISJMHLGVYLQ-UHFFFAOYSA-N 1 1 350.426 2.327 40 0 FEABMO C[NH+]1CCN(N2Cn3c4ccccc4nc3N(Cc3ccccc3)C2)CC1 ZINC000019172394 539652440 /nfs/dbraw/zinc/65/24/40/539652440.db2.gz VVKCBDKXKWVTKT-UHFFFAOYSA-N 1 1 362.481 2.436 40 0 FEABMO COCCNC(=O)C[NH+]1CCC(c2nnc(-c3ccc(C)s3)o2)CC1 ZINC000019217818 539652598 /nfs/dbraw/zinc/65/25/98/539652598.db2.gz DKPOYDLJSJUVJD-UHFFFAOYSA-N 1 1 364.471 2.049 40 0 FEABMO Cc1cccc(CC(=O)N2CC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c1 ZINC000019234626 539653821 /nfs/dbraw/zinc/65/38/21/539653821.db2.gz PZPPUCRQOJDJDK-KRWDZBQOSA-N 1 1 350.466 2.332 40 0 FEABMO Cc1ccnn1CCC(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019238463 539654108 /nfs/dbraw/zinc/65/41/08/539654108.db2.gz XJOKCOHXJNLMPC-SFHVURJKSA-N 1 1 368.485 2.113 40 0 FEABMO CN(C)C(=O)Cn1c2ncccc2c(C[N@H+]2CCC[C@@H](CO)C2)c1C1CC1 ZINC000019581265 539662215 /nfs/dbraw/zinc/66/22/15/539662215.db2.gz ZKNFRIWMGYRMSZ-OAHLLOKOSA-N 1 1 370.497 2.206 40 0 FEABMO COc1ccccc1C(=O)N1CCC(c2ncc3c(n2)CC[N@H+](C)C3)CC1 ZINC000019590699 539662833 /nfs/dbraw/zinc/66/28/33/539662833.db2.gz NALZFRTWGPSAQP-UHFFFAOYSA-N 1 1 366.465 2.493 40 0 FEABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)CC4CCCC4)C3)[nH]c(=O)c2C1 ZINC000019590229 539663207 /nfs/dbraw/zinc/66/32/07/539663207.db2.gz HYONWHANIUOWOD-OAHLLOKOSA-N 1 1 358.486 2.456 40 0 FEABMO CC(=O)N1CCC[C@H](c2nnc3n2CC[N@H+](CC2CCCCC2)CC3)C1 ZINC000019709469 539666294 /nfs/dbraw/zinc/66/62/94/539666294.db2.gz VJKQRKITDAXFPJ-SFHVURJKSA-N 1 1 359.518 2.442 40 0 FEABMO COCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(OC)cc3)C2)no1 ZINC000019593536 539663348 /nfs/dbraw/zinc/66/33/48/539663348.db2.gz YUYMTFKHNWCCOX-MRXNPFEDSA-N 1 1 373.453 2.439 40 0 FEABMO Cc1nc(Cn2ncc3ccccc3c2=O)cc(N[C@@H]2CCC[N@H+](C)C2)n1 ZINC000019655569 539664431 /nfs/dbraw/zinc/66/44/31/539664431.db2.gz XBFMVKLFDHRNGU-MRXNPFEDSA-N 1 1 364.453 2.049 40 0 FEABMO CC(=O)N1CCc2nnc([C@@H]3CCC[N@@H+]3Cc3ccccc3C)n2CC1 ZINC000019710706 539667494 /nfs/dbraw/zinc/66/74/94/539667494.db2.gz KPDJXUNDBICVGU-SFHVURJKSA-N 1 1 353.470 2.328 40 0 FEABMO CC(=O)N1CCc2nnc([C@@H]3CCC[N@H+]3Cc3ccccc3C)n2CC1 ZINC000019710706 539667497 /nfs/dbraw/zinc/66/74/97/539667497.db2.gz KPDJXUNDBICVGU-SFHVURJKSA-N 1 1 353.470 2.328 40 0 FEABMO CCN1CC[NH+](C[C@H](O)COCCOc2ccc(C(C)C)cc2)CC1 ZINC000040373242 540009611 /nfs/dbraw/zinc/00/96/11/540009611.db2.gz XCDVXOUJHSIACL-IBGZPJMESA-N 1 1 350.503 2.204 40 0 FEABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(OC)n1 ZINC000072392573 541804218 /nfs/dbraw/zinc/80/42/18/541804218.db2.gz PXFSRWXASNIKFB-XAUMDUMWSA-N 1 1 355.438 2.223 40 0 FEABMO COc1ccc(C(=O)NC2CC[NH+](CC(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000035291842 204229492 /nfs/dbraw/zinc/22/94/92/204229492.db2.gz CHDDZEPFJCPRAP-MRXNPFEDSA-N 1 1 373.497 2.148 40 0 FEABMO O=C([C@H]1CCOC1)N1CC[C@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000107224544 206016801 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CC[NH+](CC)CCNCc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 ZINC000022075869 206365657 /nfs/dbraw/zinc/36/56/57/206365657.db2.gz DRXLPKRRAXXFRU-UHFFFAOYSA-N 1 1 365.518 2.420 40 0 FEABMO CCOC[C@@]1([NH3+])[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218101472 206366830 /nfs/dbraw/zinc/36/68/30/206366830.db2.gz RBAFYCGFHZOGBJ-GBESFXJTSA-N 1 1 361.463 2.369 40 0 FEABMO NCC1(C[NH3+])[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218058020 206366939 /nfs/dbraw/zinc/36/69/39/206366939.db2.gz LKQRYSGABRKABZ-JKSUJKDBSA-N 1 1 350.871 2.184 40 0 FEABMO O=C(NC[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]12)c1ccncc1 ZINC000247406962 549330217 /nfs/dbraw/zinc/33/02/17/549330217.db2.gz OPKOBZPNEZVJEF-GPMSIDNRSA-N 1 1 373.403 2.237 40 0 FEABMO O=C(NC[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]12)c1ccncc1 ZINC000247406962 549330221 /nfs/dbraw/zinc/33/02/21/549330221.db2.gz OPKOBZPNEZVJEF-GPMSIDNRSA-N 1 1 373.403 2.237 40 0 FEABMO O=C([C@H]1C[C@@H]2CC[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2O1)N1CCCC1 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ZINC000014681296 539605031 /nfs/dbraw/zinc/60/50/31/539605031.db2.gz VVKPTQWGSHLYGL-INIZCTEOSA-N 1 1 355.390 2.408 40 0 FEABMO S=C(NCCC[NH+]1CCOCC1)Nc1cccc(Br)c1 ZINC000016941781 539637505 /nfs/dbraw/zinc/63/75/05/539637505.db2.gz FCJIMNFQCDOHKH-UHFFFAOYSA-N 1 1 358.305 2.458 40 0 FEABMO COc1ccc(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000018217496 539647790 /nfs/dbraw/zinc/64/77/90/539647790.db2.gz LHJZWDVYCLMYIL-UHFFFAOYSA-N 1 1 354.450 2.386 40 0 FEABMO COc1cc(C[N@H+]2CC[C@H](c3cc(=O)[nH]c(C)n3)C2)cc(OC)c1OC ZINC000019285201 539653359 /nfs/dbraw/zinc/65/33/59/539653359.db2.gz HYARLXJZWVTECV-AWEZNQCLSA-N 1 1 359.426 2.094 40 0 FEABMO Cc1nc2ccccn2c1C[N@@H+]1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1 ZINC000019555008 539661001 /nfs/dbraw/zinc/66/10/01/539661001.db2.gz HAYJVBORGIDITI-GCJKJVERSA-N 1 1 374.444 2.460 40 0 FEABMO Cc1nc2ccccn2c1C[N@H+]1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1 ZINC000019555008 539661004 /nfs/dbraw/zinc/66/10/04/539661004.db2.gz HAYJVBORGIDITI-GCJKJVERSA-N 1 1 374.444 2.460 40 0 FEABMO COc1ccccc1C[N@H+]1CC[C@@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1 ZINC000019570055 539661369 /nfs/dbraw/zinc/66/13/69/539661369.db2.gz MRUAQGRRJRBSFD-OAHLLOKOSA-N 1 1 354.454 2.368 40 0 FEABMO CN1C[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@H+]3C)CC1=O ZINC000019589050 539662907 /nfs/dbraw/zinc/66/29/07/539662907.db2.gz XSALNFKNGGEVPR-HDAAZOAOSA-N 1 1 369.509 2.334 40 0 FEABMO Cc1onc(C(C)C)c1C(=O)N1CCn2c(nnc2[C@@H]2CCC[N@@H+]2C)C1 ZINC000019705534 539666301 /nfs/dbraw/zinc/66/63/01/539666301.db2.gz KUMKRBKKWQRJBP-ZDUSSCGKSA-N 1 1 358.446 2.121 40 0 FEABMO Cc1onc(C(C)C)c1C(=O)N1CCn2c(nnc2[C@@H]2CCC[N@H+]2C)C1 ZINC000019705534 539666303 /nfs/dbraw/zinc/66/63/03/539666303.db2.gz KUMKRBKKWQRJBP-ZDUSSCGKSA-N 1 1 358.446 2.121 40 0 FEABMO CN1CCN(CC(C)(C)C[NH+]2CCC(O)(c3ccccc3F)CC2)CC1 ZINC000023247913 539710478 /nfs/dbraw/zinc/71/04/78/539710478.db2.gz WIKZBODVKNGEQZ-UHFFFAOYSA-N 1 1 363.521 2.383 40 0 FEABMO COC(=O)C1C(C[N@@H+]2CCCC[C@H]2C)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000034087015 539976358 /nfs/dbraw/zinc/97/63/58/539976358.db2.gz DPPLEOROVGYKEO-ACJLOTCBSA-N 1 1 373.453 2.351 40 0 FEABMO COC(=O)C1C(C[N@H+]2CCCC[C@H]2C)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000034087015 539976359 /nfs/dbraw/zinc/97/63/59/539976359.db2.gz DPPLEOROVGYKEO-ACJLOTCBSA-N 1 1 373.453 2.351 40 0 FEABMO CN(C(=O)c1cnn2cccnc12)c1nc2c(s1)[C@H]1CC[C@@H](C2)[N@@H+]1C ZINC000072325668 541799420 /nfs/dbraw/zinc/79/94/20/541799420.db2.gz RKRXRBKIPLIMHS-GXFFZTMASA-N 1 1 354.439 2.154 40 0 FEABMO CN(C(=O)c1cnn2cccnc12)c1nc2c(s1)[C@H]1CC[C@@H](C2)[N@H+]1C ZINC000072325668 541799424 /nfs/dbraw/zinc/79/94/24/541799424.db2.gz RKRXRBKIPLIMHS-GXFFZTMASA-N 1 1 354.439 2.154 40 0 FEABMO OC[C@H]1CCC[N@H+](Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)C1 ZINC000072340132 541800574 /nfs/dbraw/zinc/80/05/74/541800574.db2.gz XSZBDNCITPVJBP-AWEZNQCLSA-N 1 1 351.410 2.398 40 0 FEABMO OC[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)C1 ZINC000072340132 541800577 /nfs/dbraw/zinc/80/05/77/541800577.db2.gz XSZBDNCITPVJBP-AWEZNQCLSA-N 1 1 351.410 2.398 40 0 FEABMO COc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)c1 ZINC000072358876 541801170 /nfs/dbraw/zinc/80/11/70/541801170.db2.gz FNFAAUIDPJOOES-MRXNPFEDSA-N 1 1 354.454 2.420 40 0 FEABMO CC(=O)N1Cc2ccccc2OC2(CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000072394390 541804243 /nfs/dbraw/zinc/80/42/43/541804243.db2.gz ZCDYTPCOTASJNI-UHFFFAOYSA-N 1 1 354.454 2.196 40 0 FEABMO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)n1 ZINC000072362460 541802308 /nfs/dbraw/zinc/80/23/08/541802308.db2.gz WUVQICHXVIWPFC-OAHLLOKOSA-N 1 1 354.458 2.191 40 0 FEABMO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)n1 ZINC000072362460 541802312 /nfs/dbraw/zinc/80/23/12/541802312.db2.gz WUVQICHXVIWPFC-OAHLLOKOSA-N 1 1 354.458 2.191 40 0 FEABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@H+](CC3CC3)C[C@@H]1C2 ZINC000306124719 203782338 /nfs/dbraw/zinc/78/23/38/203782338.db2.gz BXRYBRDQIMXSTM-KBPBESRZSA-N 1 1 355.417 2.184 40 0 FEABMO CCc1cccc(NC(=O)CCc2c(C)nc3nc(C[NH3+])nn3c2C)c1 ZINC000009407438 204366615 /nfs/dbraw/zinc/36/66/15/204366615.db2.gz SCKHYUPYCCOPLG-UHFFFAOYSA-N 1 1 352.442 2.334 40 0 FEABMO O=C(C[C@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)Nc1ccccc1C(F)(F)F ZINC000009483987 204370524 /nfs/dbraw/zinc/37/05/24/204370524.db2.gz XBTXGKRBJMABOG-BFHYXJOUSA-N 1 1 355.360 2.433 40 0 FEABMO Cc1onc(C(=O)NC(C)(C)C[N@@H+]2CCC[C@@H](C)C2)c1Cn1cccn1 ZINC000012203322 204440400 /nfs/dbraw/zinc/44/04/00/204440400.db2.gz MLUFPUGXRQLXHB-CQSZACIVSA-N 1 1 359.474 2.468 40 0 FEABMO Cc1csc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)N(C)C)O3)n1 ZINC000096208081 205852396 /nfs/dbraw/zinc/85/23/96/205852396.db2.gz NQDFIHSMRUWPGQ-WMLDXEAASA-N 1 1 352.504 2.236 40 0 FEABMO Cc1csc(C[N@@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)N(C)C)O3)n1 ZINC000096208081 205852400 /nfs/dbraw/zinc/85/24/00/205852400.db2.gz NQDFIHSMRUWPGQ-WMLDXEAASA-N 1 1 352.504 2.236 40 0 FEABMO COc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3[C@H]1O)OCO4)[N@H+](C)CC2 ZINC000105490305 206239859 /nfs/dbraw/zinc/23/98/59/206239859.db2.gz YUIGSRGRYOBFRF-UXHICEINSA-N 1 1 355.390 2.102 40 0 biogenic,in-vitro FEABMO COc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3[C@H]1O)OCO4)[N@@H+](C)CC2 ZINC000105490305 206239863 /nfs/dbraw/zinc/23/98/63/206239863.db2.gz YUIGSRGRYOBFRF-UXHICEINSA-N 1 1 355.390 2.102 40 0 biogenic,in-vitro FEABMO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)C1 ZINC000014607425 206311694 /nfs/dbraw/zinc/31/16/94/206311694.db2.gz GGORKDMWGUOYJH-DOTOQJQBSA-N 1 1 358.438 2.210 40 0 FEABMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)C1 ZINC000014607425 206311699 /nfs/dbraw/zinc/31/16/99/206311699.db2.gz GGORKDMWGUOYJH-DOTOQJQBSA-N 1 1 358.438 2.210 40 0 FEABMO O=C1CO[C@@]2(CN1c1ccccc1)COCC[N@H+](Cc1ccsc1)C2 ZINC000096051265 132217882 /nfs/dbraw/zinc/21/78/82/132217882.db2.gz SXRLYWKUWNWYCR-IBGZPJMESA-N 1 1 358.463 2.383 40 0 FEABMO O=C1CO[C@@]2(CN1c1ccccc1)COCC[N@@H+](Cc1ccsc1)C2 ZINC000096051265 132217884 /nfs/dbraw/zinc/21/78/84/132217884.db2.gz SXRLYWKUWNWYCR-IBGZPJMESA-N 1 1 358.463 2.383 40 0 FEABMO Fc1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(Cc2cn[nH]n2)C3)cc1 ZINC000096049505 542989282 /nfs/dbraw/zinc/98/92/82/542989282.db2.gz WBLMMAMIMMZBIJ-LJQANCHMSA-N 1 1 359.449 2.058 40 0 FEABMO Fc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(Cc2c[nH]nn2)C3)cc1 ZINC000096049505 542989284 /nfs/dbraw/zinc/98/92/84/542989284.db2.gz WBLMMAMIMMZBIJ-LJQANCHMSA-N 1 1 359.449 2.058 40 0 FEABMO Fc1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(Cc2c[nH]nn2)C3)cc1 ZINC000096049505 542989288 /nfs/dbraw/zinc/98/92/88/542989288.db2.gz WBLMMAMIMMZBIJ-LJQANCHMSA-N 1 1 359.449 2.058 40 0 FEABMO Cc1noc(C)c1C[N@@H+]1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@H]2C1 ZINC000096043274 542988438 /nfs/dbraw/zinc/98/84/38/542988438.db2.gz HJEUHCFOGXASRT-QGTPRVQTSA-N 1 1 356.426 2.305 40 0 FEABMO Cc1noc(C)c1C[N@H+]1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@H]2C1 ZINC000096043274 542988442 /nfs/dbraw/zinc/98/84/42/542988442.db2.gz HJEUHCFOGXASRT-QGTPRVQTSA-N 1 1 356.426 2.305 40 0 FEABMO 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CC(=O)N1CCN(c2cc(C)nc([C@H]3CC[N@H+](C4CCOCC4)C3)c2)CC1 ZINC000019739081 539668575 /nfs/dbraw/zinc/66/85/75/539668575.db2.gz HLHAWLNYSWYCJH-SFHVURJKSA-N 1 1 372.513 2.027 40 0 FEABMO COc1cc(NC(=S)NC[C@H]2CCC[N@@H+](C)C2)cc(OC)c1OC ZINC000009876270 204384890 /nfs/dbraw/zinc/38/48/90/204384890.db2.gz HJBRULBGMMGZFB-GFCCVEGCSA-N 1 1 353.488 2.341 40 0 FEABMO c1cc(-c2nc(NCCC[NH+]3CCOCC3)ncc2-c2cnccn2)co1 ZINC000019406243 204682238 /nfs/dbraw/zinc/68/22/38/204682238.db2.gz IGJINVOGXSJQBQ-UHFFFAOYSA-N 1 1 366.425 2.328 40 0 FEABMO CC[N@H+]1CCC[C@H]1CN(Cc1cnc(N(C)C)nc1)Cc1ccccn1 ZINC000019527174 204687489 /nfs/dbraw/zinc/68/74/89/204687489.db2.gz DNUKALOVANUHOD-IBGZPJMESA-N 1 1 354.502 2.424 40 0 FEABMO Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000072337462 205513679 /nfs/dbraw/zinc/51/36/79/205513679.db2.gz DGTDSTOXWANLNV-LXZKKBNFSA-N 1 1 353.470 2.358 40 0 FEABMO CNC(=O)[C@@]12CCC3(CCN(C(=O)c4ccsc4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096143840 205833910 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biogenic,in-vitro FEABMO COCCNC(=O)C[C@@H]1Cn2cccc2C[N@H+](Cc2ccccc2F)C1 ZINC000585099175 571221729 /nfs/dbraw/zinc/22/17/29/571221729.db2.gz RIKLPRRULMRBGI-INIZCTEOSA-N 1 1 359.445 2.412 40 0 FEABMO COCCNC(=O)C[C@@H]1Cn2cccc2C[N@@H+](Cc2ccccc2F)C1 ZINC000585099175 571221730 /nfs/dbraw/zinc/22/17/30/571221730.db2.gz RIKLPRRULMRBGI-INIZCTEOSA-N 1 1 359.445 2.412 40 0 FEABMO Cc1nnsc1C(=O)N1CCC[C@@]12CCC[N@@H+](C[C@@H]1CCCO1)CC2 ZINC000585099937 571221950 /nfs/dbraw/zinc/22/19/50/571221950.db2.gz AMFOTJBMCWZBGT-MAUKXSAKSA-N 1 1 364.515 2.486 40 0 FEABMO Cc1cccc(C(=O)N2CCC3(CO[C@@H](C[NH+]4CCOCC4)C3)CC2)c1 ZINC000585104167 571223060 /nfs/dbraw/zinc/22/30/60/571223060.db2.gz MCHNUCPTFOPLET-LJQANCHMSA-N 1 1 358.482 2.339 40 0 FEABMO COc1ccc(-c2n[nH]c3c2CCN(C(=O)C[N@@H+](C)C(C)C)CC3)cc1 ZINC000585110369 571225380 /nfs/dbraw/zinc/22/53/80/571225380.db2.gz LFNGBCUVBQTGDS-UHFFFAOYSA-N 1 1 356.470 2.353 40 0 FEABMO O=C(C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1)NCc1ccccc1 ZINC000004908569 539395674 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350.528 2.408 40 0 FEABMO CN(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000019461282 539658279 /nfs/dbraw/zinc/65/82/79/539658279.db2.gz VJPLICXXVQSGRV-MOPGFXCFSA-N 1 1 350.528 2.408 40 0 FEABMO CN(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000019461282 539658281 /nfs/dbraw/zinc/65/82/81/539658281.db2.gz VJPLICXXVQSGRV-MOPGFXCFSA-N 1 1 350.528 2.408 40 0 FEABMO COc1cc(C[N@H+]2CCC[C@@H]2Cn2nnc(-c3ccccn3)n2)ccc1O ZINC000019550073 539659286 /nfs/dbraw/zinc/65/92/86/539659286.db2.gz WMKGVOXAEFZVEK-OAHLLOKOSA-N 1 1 366.425 2.114 40 0 FEABMO COc1cccc(CC(=O)N2CCc3nc([C@H]4CC[N@@H+](C)C4)ncc3C2)c1 ZINC000019587977 539661641 /nfs/dbraw/zinc/66/16/41/539661641.db2.gz QHXSWCWSPIRWRQ-INIZCTEOSA-N 1 1 366.465 2.032 40 0 FEABMO COc1ccccc1CC(=O)N1CCc2nc([C@@H]3CC[N@@H+](C)C3)ncc2C1 ZINC000019587983 539663394 /nfs/dbraw/zinc/66/33/94/539663394.db2.gz MOAMJBIIPQMXJI-MRXNPFEDSA-N 1 1 366.465 2.032 40 0 FEABMO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC4(CC3)OCCO4)C2=O)cc1Cl 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541734863 /nfs/dbraw/zinc/73/48/63/541734863.db2.gz JSYDYAXSSKCKRJ-INIZCTEOSA-N 1 1 350.260 2.448 40 0 FEABMO Cn1cnc2c1CC[N@@H+](C[C@](C)(O)c1ccc(Br)cc1)C2 ZINC000070503648 541734865 /nfs/dbraw/zinc/73/48/65/541734865.db2.gz JSYDYAXSSKCKRJ-INIZCTEOSA-N 1 1 350.260 2.448 40 0 FEABMO Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)NCc4cccnc4)[C@@H](C2)O3)cc1 ZINC000096253289 209144178 /nfs/dbraw/zinc/14/41/78/209144178.db2.gz YNJGZFJFNBALSR-HSALFYBXSA-N 1 1 351.450 2.296 40 0 FEABMO Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)NCc4cccnc4)[C@@H](C2)O3)cc1 ZINC000096253289 209144182 /nfs/dbraw/zinc/14/41/82/209144182.db2.gz YNJGZFJFNBALSR-HSALFYBXSA-N 1 1 351.450 2.296 40 0 FEABMO COCC[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228768 209140929 /nfs/dbraw/zinc/14/09/29/209140929.db2.gz HQFIBFVYWDQXRZ-OAQYLSRUSA-N 1 1 371.481 2.369 40 0 FEABMO Cc1cccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2nncs2)C3)n1 ZINC000096229252 209140733 /nfs/dbraw/zinc/14/07/33/209140733.db2.gz YUCXBHRCWWGJIC-GOSISDBHSA-N 1 1 359.499 2.361 40 0 FEABMO Cc1nc(CN2CC[C@@]3(CCC[N@H+](Cc4cnn(C)c4)C3)C2=O)cs1 ZINC000096224381 209139617 /nfs/dbraw/zinc/13/96/17/209139617.db2.gz DAJZANNMHSCLEG-GOSISDBHSA-N 1 1 359.499 2.200 40 0 FEABMO COc1ncccc1C[N@H+]1C[C@@H]2COC[C@]2(Cc2nnc(C3CC3)o2)C1 ZINC000096215215 209136746 /nfs/dbraw/zinc/13/67/46/209136746.db2.gz DAFHHTIZCWBHIT-BEFAXECRSA-N 1 1 356.426 2.042 40 0 FEABMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)N4CCOCC4)C3)C2)c1 ZINC000096215699 209136239 /nfs/dbraw/zinc/13/62/39/209136239.db2.gz XEHCPFCRRNHVOP-OAQYLSRUSA-N 1 1 373.497 2.435 40 0 FEABMO COC(=O)CCC(=O)N1CCC2(C[NH+](Cc3ccc(Cl)cc3)C2)C1 ZINC000096202433 209133714 /nfs/dbraw/zinc/13/37/14/209133714.db2.gz HOXSSRLRQBOWBJ-UHFFFAOYSA-N 1 1 350.846 2.328 40 0 FEABMO O=C([O-])[C@@]12C[N@H+](Cc3ccco3)C[C@@H]1C[NH+](Cc1ccccn1)CCC2 ZINC000096185210 209131244 /nfs/dbraw/zinc/13/12/44/209131244.db2.gz FWNXCXDNWIIQAR-JXFKEZNVSA-N 1 1 355.438 2.473 40 0 FEABMO O=C([O-])[C@@]12C[N@@H+](Cc3ccco3)C[C@@H]1C[NH+](Cc1ccccn1)CCC2 ZINC000096185210 209131246 /nfs/dbraw/zinc/13/12/46/209131246.db2.gz FWNXCXDNWIIQAR-JXFKEZNVSA-N 1 1 355.438 2.473 40 0 FEABMO O=C([O-])[C@@]12C[NH+](Cc3ccco3)C[C@@H]1C[N@H+](Cc1ccccn1)CCC2 ZINC000096185210 209131248 /nfs/dbraw/zinc/13/12/48/209131248.db2.gz FWNXCXDNWIIQAR-JXFKEZNVSA-N 1 1 355.438 2.473 40 0 FEABMO O=C([O-])[C@@]12C[NH+](Cc3ccco3)C[C@@H]1C[N@@H+](Cc1ccccn1)CCC2 ZINC000096185210 209131251 /nfs/dbraw/zinc/13/12/51/209131251.db2.gz FWNXCXDNWIIQAR-JXFKEZNVSA-N 1 1 355.438 2.473 40 0 FEABMO Cc1noc(C)c1C[N@H+]1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 ZINC000096108768 209112787 /nfs/dbraw/zinc/11/27/87/209112787.db2.gz LBJXHRHQZDUFSE-IEBWSBKVSA-N 1 1 350.459 2.183 40 0 FEABMO Cc1nccc(-c2ccc(-c3noc(C[N@@H+]4CCC[C@@H](O)C4)n3)cc2)n1 ZINC000012337093 207363018 /nfs/dbraw/zinc/36/30/18/207363018.db2.gz FWLRCNLTGZZAQH-MRXNPFEDSA-N 1 1 351.410 2.459 40 0 FEABMO Cc1nccc(-c2ccc(-c3noc(C[N@H+]4CCC[C@@H](O)C4)n3)cc2)n1 ZINC000012337093 207363025 /nfs/dbraw/zinc/36/30/25/207363025.db2.gz FWLRCNLTGZZAQH-MRXNPFEDSA-N 1 1 351.410 2.459 40 0 FEABMO COc1cc2c(cc1OC)[C@@]1(Cc3ccc4c(c3[C@@H]1O)OCO4)[N@@H+](C)CC2 ZINC000030726897 208004493 /nfs/dbraw/zinc/00/44/93/208004493.db2.gz QDNMFIYGVRUVCE-LEWJYISDSA-N 1 1 369.417 2.405 40 0 biogenic,in-vitro FEABMO Cn1nnc2c1CC[N@@H+](CC1CCOCC1)[C@H]2COCc1ccccc1 ZINC000096060540 209104110 /nfs/dbraw/zinc/10/41/10/209104110.db2.gz GFIKSFPSFFWDRA-IBGZPJMESA-N 1 1 356.470 2.358 40 0 FEABMO Cn1nnc2c1CC[N@H+](CC1CCOCC1)[C@H]2COCc1ccccc1 ZINC000096060540 209104108 /nfs/dbraw/zinc/10/41/08/209104108.db2.gz GFIKSFPSFFWDRA-IBGZPJMESA-N 1 1 356.470 2.358 40 0 FEABMO O=C1C[C@]2(CC[N@@H+](Cc3cccnc3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050779 209102308 /nfs/dbraw/zinc/10/23/08/209102308.db2.gz CYLYVVAGTRHAQB-FQEVSTJZSA-N 1 1 351.406 2.439 40 0 FEABMO CN(Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096048076 209100366 /nfs/dbraw/zinc/10/03/66/209100366.db2.gz VLVHWXIIKGWBNV-IBGZPJMESA-N 1 1 355.486 2.071 40 0 FEABMO CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cccs1)C2 ZINC000096039752 209098966 /nfs/dbraw/zinc/09/89/66/209098966.db2.gz RUSLCUHAPSHNIG-AEFFLSMTSA-N 1 1 352.500 2.224 40 0 FEABMO O=C1CO[C@@]2(CN1c1ccccc1)COCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096051273 132217787 /nfs/dbraw/zinc/21/77/87/132217787.db2.gz SZHZDERATCHMSG-NRFANRHFSA-N 1 1 370.424 2.460 40 0 FEABMO O=C1CO[C@@]2(CN1c1ccccc1)COCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096051273 132217788 /nfs/dbraw/zinc/21/77/88/132217788.db2.gz SZHZDERATCHMSG-NRFANRHFSA-N 1 1 370.424 2.460 40 0 FEABMO C[C@@H]1CN(c2nccc(C[N@H+]3CC[C@H](O)[C@H]4CCCC[C@@H]43)n2)C[C@@H](C)O1 ZINC000072348168 136144884 /nfs/dbraw/zinc/14/48/84/136144884.db2.gz KJIXZEHJTYWXJD-PTGCCPEKSA-N 1 1 360.502 2.216 40 0 FEABMO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)C[NH3+])cc1 ZINC000218410513 548686812 /nfs/dbraw/zinc/68/68/12/548686812.db2.gz WFMPCWCTXNIOTK-RTBURBONSA-N 1 1 358.507 2.401 40 0 FEABMO CCn1cc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)cn1 ZINC000249688113 549616343 /nfs/dbraw/zinc/61/63/43/549616343.db2.gz HXZBQEBQYTWJRD-QGZVFWFLSA-N 1 1 351.516 2.406 40 0 FEABMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cscn3)C2)cc(C(=O)N(C)C)n1 ZINC000257200507 549716771 /nfs/dbraw/zinc/71/67/71/549716771.db2.gz ADPMOEDRAIMAJY-AWEZNQCLSA-N 1 1 359.499 2.398 40 0 FEABMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cscn3)C2)cc(C(=O)N(C)C)n1 ZINC000257200507 549716774 /nfs/dbraw/zinc/71/67/74/549716774.db2.gz ADPMOEDRAIMAJY-AWEZNQCLSA-N 1 1 359.499 2.398 40 0 FEABMO O=C(c1cccc([C@H]2CCC[N@H+](Cc3cscn3)C2)n1)N1CCOCC1 ZINC000257285575 549723738 /nfs/dbraw/zinc/72/37/38/549723738.db2.gz PHVRQAUDDLSOSR-HNNXBMFYSA-N 1 1 372.494 2.390 40 0 FEABMO O=C(c1cccc([C@H]2CCC[N@@H+](Cc3cscn3)C2)n1)N1CCOCC1 ZINC000257285575 549723741 /nfs/dbraw/zinc/72/37/41/549723741.db2.gz PHVRQAUDDLSOSR-HNNXBMFYSA-N 1 1 372.494 2.390 40 0 FEABMO CCc1cc(C(=O)N2CCO[C@@H](CCc3cc[nH+]c(N(C)C)c3)C2)on1 ZINC000257303776 549726814 /nfs/dbraw/zinc/72/68/14/549726814.db2.gz SIRHJCKNTIYMLX-INIZCTEOSA-N 1 1 358.442 2.172 40 0 FEABMO CCOC[C@@H]1CC[N@@H+](CC2CC2)C2(CN(c3cc(C)nc4ncnn43)C2)C1 ZINC000306124914 553748801 /nfs/dbraw/zinc/74/88/01/553748801.db2.gz CCAJFMOGPVMKEG-QGZVFWFLSA-N 1 1 370.501 2.150 40 0 FEABMO c1ccc(NC[C@H]2CO[C@@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]23)nc1 ZINC000306131310 553749054 /nfs/dbraw/zinc/74/90/54/553749054.db2.gz KBFQUGBFDLFMMY-FRQCXROJSA-N 1 1 353.422 2.369 40 0 FEABMO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccnc3)C[C@H]1C2 ZINC000306129751 553749073 /nfs/dbraw/zinc/74/90/73/553749073.db2.gz ILQSNCWFNJGINY-SJORKVTESA-N 1 1 374.448 2.230 40 0 FEABMO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@H]3C2)c1 ZINC000306135046 553749638 /nfs/dbraw/zinc/74/96/38/553749638.db2.gz OFVJCIBJKSYYDR-ZWKOTPCHSA-N 1 1 367.497 2.337 40 0 FEABMO O=C1N(CC2CC2)CCO[C@]12C[N@@H+](Cc1ccco1)C[C@@H]2c1cccnc1 ZINC000306132624 553749986 /nfs/dbraw/zinc/74/99/86/553749986.db2.gz LOBCSSATWOCYEZ-CTNGQTDRSA-N 1 1 367.449 2.282 40 0 FEABMO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@H+](C4CCC4)C[C@H]2N(C)C3=O)cn1 ZINC000514289869 560031114 /nfs/dbraw/zinc/03/11/14/560031114.db2.gz PMPRIZXOARBQTH-MJGOQNOKSA-N 1 1 352.438 2.157 40 0 biogenic,in-vitro FEABMO Cc1cccc(OC[C@]2(O)CCC[N@@H+](Cc3cnc(N(C)C)nc3)C2)c1 ZINC000585276576 570488731 /nfs/dbraw/zinc/48/87/31/570488731.db2.gz NMHQLCJTAJDCMN-FQEVSTJZSA-N 1 1 356.470 2.257 40 0 FEABMO Cc1cccc(OC[C@]2(O)CCC[N@H+](Cc3cnc(N(C)C)nc3)C2)c1 ZINC000585276576 570488735 /nfs/dbraw/zinc/48/87/35/570488735.db2.gz NMHQLCJTAJDCMN-FQEVSTJZSA-N 1 1 356.470 2.257 40 0 FEABMO CC(C)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[N@H+]1Cc1ccc(Oc2ccccc2)cc1 ZINC000585294796 570506501 /nfs/dbraw/zinc/50/65/01/570506501.db2.gz KIDMANQTYVCZMO-MHTWAQMVSA-N 1 1 357.450 2.402 40 0 FEABMO COc1ccc(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000224737785 570999420 /nfs/dbraw/zinc/99/94/20/570999420.db2.gz APDSIMVUSZZVKX-UHFFFAOYSA-N 1 1 354.450 2.386 40 0 FEABMO C[C@H](O)c1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NCCCO)n1)C2 ZINC000328993809 571129213 /nfs/dbraw/zinc/12/92/13/571129213.db2.gz JCMCFIZKYYKXGI-AWEZNQCLSA-N 1 1 368.481 2.764 40 0 FEABMO c1cnc(Nc2nccnc2[C@H]2CCC[N@H+](CC3CCOCC3)C2)cn1 ZINC000585177442 571133047 /nfs/dbraw/zinc/13/30/47/571133047.db2.gz NRFDYHNICKFINX-INIZCTEOSA-N 1 1 354.458 2.616 40 0 FEABMO COc1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NCCCO)n1)C2 ZINC000328955889 571133804 /nfs/dbraw/zinc/13/38/04/571133804.db2.gz ADGZOWBIGNEMBI-UHFFFAOYSA-N 1 1 354.454 2.720 40 0 FEABMO COCCNC(=O)C[C@@H]1Cn2cccc2C[N@H+](Cc2cccc(OC)c2)C1 ZINC000585099046 571221631 /nfs/dbraw/zinc/22/16/31/571221631.db2.gz GISZVLQAFFISDF-SFHVURJKSA-N 1 1 371.481 2.281 40 0 FEABMO COCCNC(=O)C[C@@H]1Cn2cccc2C[N@@H+](Cc2cccc(OC)c2)C1 ZINC000585099046 571221634 /nfs/dbraw/zinc/22/16/34/571221634.db2.gz GISZVLQAFFISDF-SFHVURJKSA-N 1 1 371.481 2.281 40 0 FEABMO COCCNC(=O)C[C@@H]1Cn2cccc2C[N@H+](Cc2ccc(OC)cc2)C1 ZINC000585099158 571221723 /nfs/dbraw/zinc/22/17/23/571221723.db2.gz QTRVBKMIOWBFTP-SFHVURJKSA-N 1 1 371.481 2.281 40 0 FEABMO COCCNC(=O)C[C@@H]1Cn2cccc2C[N@@H+](Cc2ccc(OC)cc2)C1 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XQJPPSATVPTGOX-ZDUSSCGKSA-N 1 1 358.467 2.294 40 0 FEABMO Cn1cc(C[N@H+]2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)c2ccccc21 ZINC000257330876 210001342 /nfs/dbraw/zinc/00/13/42/210001342.db2.gz XQJPPSATVPTGOX-ZDUSSCGKSA-N 1 1 358.467 2.294 40 0 FEABMO CC(C)c1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCOCC3)[C@@H]2O)cs1 ZINC000257344870 210004444 /nfs/dbraw/zinc/00/44/44/210004444.db2.gz ZYZPFXQKJBPZRJ-BFYDXBDKSA-N 1 1 352.500 2.216 40 0 FEABMO Cc1[nH+]ccn1CC(=O)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257341776 210004228 /nfs/dbraw/zinc/00/42/28/210004228.db2.gz ZLXSQIJYZVHMOG-ICSRJNTNSA-N 1 1 355.438 2.168 40 0 FEABMO Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257339371 210002775 /nfs/dbraw/zinc/00/27/75/210002775.db2.gz ZBKGLSMMMUQDTC-QGZVFWFLSA-N 1 1 356.474 2.093 40 0 FEABMO Cc1ccc([C@H]2[NH+]=C(NCc3ccccn3)Nc3nc(C)cc(=O)n32)cc1 ZINC000014607547 539603949 /nfs/dbraw/zinc/60/39/49/539603949.db2.gz GCZJFQNYLCMDNL-SFHVURJKSA-N 1 1 360.421 2.240 40 0 FEABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 ZINC000019287780 539655091 /nfs/dbraw/zinc/65/50/91/539655091.db2.gz QLLZXRNVFYMOTL-MRXNPFEDSA-N 1 1 372.469 2.177 40 0 FEABMO OCC[NH+]1CCN(C[C@@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000019369636 539655771 /nfs/dbraw/zinc/65/57/71/539655771.db2.gz YGXJFOXNUSUEHQ-HXUWFJFHSA-N 1 1 362.514 2.084 40 0 FEABMO OCCN1CC[NH+](C[C@@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000019369636 539655775 /nfs/dbraw/zinc/65/57/75/539655775.db2.gz YGXJFOXNUSUEHQ-HXUWFJFHSA-N 1 1 362.514 2.084 40 0 FEABMO CCc1cc(=O)[nH]c([C@@H]2CCC[N@@H+](Cc3cc4c(cc3OC)OCO4)C2)n1 ZINC000019522496 539658740 /nfs/dbraw/zinc/65/87/40/539658740.db2.gz LAUMQAVWFKYUDC-CYBMUJFWSA-N 1 1 371.437 2.449 40 0 FEABMO COc1cccc(CC(=O)N2CCc3nc([C@@H]4CC[N@@H+](C)C4)ncc3C2)c1 ZINC000019587975 539661985 /nfs/dbraw/zinc/66/19/85/539661985.db2.gz QHXSWCWSPIRWRQ-MRXNPFEDSA-N 1 1 366.465 2.032 40 0 FEABMO C[N@@H+]1CCN(C(=O)c2ccc(Cn3cncn3)cc2)[C@@H](c2ccccc2)C1 ZINC000019589366 539662914 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352.434 2.109 40 0 FEABMO COc1cccc(C[N@@H+]2CCc3nnc([C@H]4CCCN4C(C)=O)n3CC2)c1 ZINC000072372766 541802021 /nfs/dbraw/zinc/80/20/21/541802021.db2.gz VZFHFMUUQRQQOH-GOSISDBHSA-N 1 1 369.469 2.028 40 0 FEABMO C[C@@H]1CCCC[N@H+]1CC(=O)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373068 541801937 /nfs/dbraw/zinc/80/19/37/541801937.db2.gz PGKPIPGUSCGULC-SJORKVTESA-N 1 1 372.513 2.160 40 0 FEABMO CC(=O)Nc1ccc(Oc2cncc([C@H]3CCC[N@@H+](CCO)C3)n2)cc1 ZINC000072361638 541801942 /nfs/dbraw/zinc/80/19/42/541801942.db2.gz RZDWFPZFFVTYRB-HNNXBMFYSA-N 1 1 356.426 2.399 40 0 FEABMO Cc1ccc(C(=O)N2CCC3(C[N@H+](CC(C)C)C[C@]34CCNC4=O)CC2)o1 ZINC000096262703 209146109 /nfs/dbraw/zinc/14/61/09/209146109.db2.gz UCLXONUCPPAVGN-NRFANRHFSA-N 1 1 373.497 2.288 40 0 FEABMO CC(C)[N@H+](C)Cc1ncn2c1CN(S(=O)(=O)c1cccs1)CCC2 ZINC000096259264 209145955 /nfs/dbraw/zinc/14/59/55/209145955.db2.gz FIRMRSVOTPMDNG-UHFFFAOYSA-N 1 1 368.528 2.379 40 0 FEABMO CC(C)[N@@H+](C)Cc1ncn2c1CN(S(=O)(=O)c1cccs1)CCC2 ZINC000096259264 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Cc1cn(C)c([C@H]2CCCN(C(=O)CC[N@@H+](C)Cc3ccccn3)C2)n1 ZINC000257212516 549719121 /nfs/dbraw/zinc/71/91/21/549719121.db2.gz CDUITSRZIKCFRH-KRWDZBQOSA-N 1 1 355.486 2.352 40 0 FEABMO CC(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@H+]1Cc1c(C)nn(C)c1C ZINC000257237664 549719843 /nfs/dbraw/zinc/71/98/43/549719843.db2.gz HHNIUQIGWFRBNT-SFHVURJKSA-N 1 1 356.474 2.109 40 0 FEABMO CC(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@@H+]1Cc1c(C)nn(C)c1C ZINC000257237664 549719847 /nfs/dbraw/zinc/71/98/47/549719847.db2.gz HHNIUQIGWFRBNT-SFHVURJKSA-N 1 1 356.474 2.109 40 0 FEABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCO[C@@H](CCc2ccncn2)C1 ZINC000257253919 549721858 /nfs/dbraw/zinc/72/18/58/549721858.db2.gz KAVXBFOIRDGOAG-KRWDZBQOSA-N 1 1 357.458 2.047 40 0 FEABMO Cc1cccnc1Nc1nccnc1C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000257253758 549721946 /nfs/dbraw/zinc/72/19/46/549721946.db2.gz KAEQYWPVNXQILC-UHFFFAOYSA-N 1 1 354.458 2.191 40 0 FEABMO COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(C(=O)c4cnc(C)cn4)C[C@@H]32)cc1 ZINC000257281909 549724170 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549348091 /nfs/dbraw/zinc/34/80/91/549348091.db2.gz SARGRHCRTWWMIG-GOSISDBHSA-N 1 1 374.510 2.087 40 0 FEABMO O=C(NC[C@@H]1C[N@@H+](CC2CCOCC2)Cc2ccnn21)c1ccsc1 ZINC000247513391 549349293 /nfs/dbraw/zinc/34/92/93/549349293.db2.gz UMRMNHYEQJNLGA-QGZVFWFLSA-N 1 1 360.483 2.158 40 0 FEABMO O=C(NC[C@@H]1C[N@H+](CC2CCOCC2)Cc2ccnn21)c1ccsc1 ZINC000247513391 549349289 /nfs/dbraw/zinc/34/92/89/549349289.db2.gz UMRMNHYEQJNLGA-QGZVFWFLSA-N 1 1 360.483 2.158 40 0 FEABMO COc1cccc(C[N@@H+]2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)c1 ZINC000085436178 525947275 /nfs/dbraw/zinc/94/72/75/525947275.db2.gz BKCZMJOIFYNGDA-GOSISDBHSA-N 1 1 352.438 2.212 40 0 biogenic,in-vitro FEABMO COc1cccc(C[N@H+]2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)c1 ZINC000085436178 525947287 /nfs/dbraw/zinc/94/72/87/525947287.db2.gz BKCZMJOIFYNGDA-GOSISDBHSA-N 1 1 352.438 2.212 40 0 biogenic,in-vitro FEABMO COCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc[nH]3)CC[C@@]2(c2ccccc2)C1 ZINC000247831767 549385686 /nfs/dbraw/zinc/38/56/86/549385686.db2.gz 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ZINC000585112748 571226221 /nfs/dbraw/zinc/22/62/21/571226221.db2.gz UZDRJKIURSJXNT-IBGZPJMESA-N 1 1 353.470 2.288 40 0 FEABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21c2cc(C)ccc2NC1=O ZINC000013574984 539588789 /nfs/dbraw/zinc/58/87/89/539588789.db2.gz VCHIEKONPXTXBN-JFHCMYTQSA-N 1 1 367.449 2.020 40 0 FEABMO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](Cc2ccncc2)C3)C1 ZINC000019017137 539650811 /nfs/dbraw/zinc/65/08/11/539650811.db2.gz KYMNDMKPGCYQRR-QGZVFWFLSA-N 1 1 351.454 2.156 40 0 FEABMO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](Cc2ccncc2)C3)C1 ZINC000019017137 539650815 /nfs/dbraw/zinc/65/08/15/539650815.db2.gz KYMNDMKPGCYQRR-QGZVFWFLSA-N 1 1 351.454 2.156 40 0 FEABMO CN(C)c1ccc(C(=O)N2CCc3nc([C@@H]4CC[N@@H+](C)C4)ncc3C2)cc1 ZINC000019588007 539663129 /nfs/dbraw/zinc/66/31/29/539663129.db2.gz GDGZIJVETDVEPV-MRXNPFEDSA-N 1 1 365.481 2.160 40 0 FEABMO C[NH+]1CCN([C@H](c2nnnn2Cc2ccco2)c2ccc(Cl)cc2)CC1 ZINC000019589867 539663171 /nfs/dbraw/zinc/66/31/71/539663171.db2.gz KWEZCKGXNDQWRB-KRWDZBQOSA-N 1 1 372.860 2.305 40 0 FEABMO CC(=O)N1CCC[C@@H]1c1nnc2n1CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000019706486 539666178 /nfs/dbraw/zinc/66/61/78/539666178.db2.gz VDGPNJOSHISFKW-QGZVFWFLSA-N 1 1 357.433 2.159 40 0 FEABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)C1CCCC1)C2 ZINC000019708886 539666656 /nfs/dbraw/zinc/66/66/56/539666656.db2.gz ZXFJYFBFMDJBCU-OAHLLOKOSA-N 1 1 357.502 2.402 40 0 FEABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)C1CCCC1)CC2 ZINC000019711459 539667295 /nfs/dbraw/zinc/66/72/95/539667295.db2.gz VKZBPRZVQCZWBF-OAHLLOKOSA-N 1 1 357.502 2.402 40 0 FEABMO O=C1Nc2ccccc2C2=N[C@H](C[NH+]3CCN(c4ccccc4)CC3)CN21 ZINC000022454188 539694760 /nfs/dbraw/zinc/69/47/60/539694760.db2.gz ONSOQRPYFKDOEB-MRXNPFEDSA-N 1 1 361.449 2.485 40 0 in-vitro FEABMO COCCN1C[C@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)CCN2C1=O ZINC000096269154 209887130 /nfs/dbraw/zinc/88/71/30/209887130.db2.gz BIAQKVFBWUMDIP-CQSZACIVSA-N 1 1 373.375 2.153 40 0 biogenic,in-vitro FEABMO COCCN1C[C@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)CCN2C1=O ZINC000096269154 209887126 /nfs/dbraw/zinc/88/71/26/209887126.db2.gz BIAQKVFBWUMDIP-CQSZACIVSA-N 1 1 373.375 2.153 40 0 biogenic,in-vitro FEABMO COCC[NH+]1CCN(C(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](CO)C=C2C)CC1 ZINC000030882597 539892929 /nfs/dbraw/zinc/89/29/29/539892929.db2.gz HFYNVMFMXANLJT-FHWLQOOXSA-N 1 1 352.519 2.014 40 0 biogenic,in-vitro FEABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1 ZINC000036741225 539993812 /nfs/dbraw/zinc/99/38/12/539993812.db2.gz QNWDMYKWYOYKFW-KHYOSLBOSA-N 1 1 366.527 2.410 40 0 FEABMO Cc1cc(C)nc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)C[C@@H](C)O4)CC2)n1 ZINC000036741413 539994300 /nfs/dbraw/zinc/99/43/00/539994300.db2.gz ZVLKYRRWIIWDKM-APWZRJJASA-N 1 1 368.481 2.272 40 0 FEABMO Cn1cc(C(=O)NC2CC3(C2)CC[N@H+](Cc2cncc(Cl)c2)C3)cn1 ZINC000108525087 209288555 /nfs/dbraw/zinc/28/85/55/209288555.db2.gz ONSFVYBMZPHDMV-UHFFFAOYSA-N 1 1 359.861 2.253 40 0 FEABMO Cn1cc(C(=O)NC2CC3(C2)CC[N@@H+](Cc2cncc(Cl)c2)C3)cn1 ZINC000108525087 209288557 /nfs/dbraw/zinc/28/85/57/209288557.db2.gz ONSFVYBMZPHDMV-UHFFFAOYSA-N 1 1 359.861 2.253 40 0 FEABMO Cn1cncc1C[N@H+]1CCC[C@]2(CCN(CC3CCOCC3)C2=O)CC1 ZINC000108535360 209289529 /nfs/dbraw/zinc/28/95/29/209289529.db2.gz STKMNJNNGVINAS-HXUWFJFHSA-N 1 1 360.502 2.051 40 0 FEABMO COc1cccc(C[N@@H+]2CCc3nnc([C@@H]4CCCN4C(C)=O)n3CC2)c1 ZINC000072372767 541801792 /nfs/dbraw/zinc/80/17/92/541801792.db2.gz VZFHFMUUQRQQOH-SFHVURJKSA-N 1 1 369.469 2.028 40 0 FEABMO CN(C)C(=O)C[N@@H+]1CCCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000072377012 541803532 /nfs/dbraw/zinc/80/35/32/541803532.db2.gz QODPDDLWRNWLOA-INIZCTEOSA-N 1 1 357.433 2.480 40 0 FEABMO CN(C)C(=O)C[N@H+]1CCCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000072377012 541803535 /nfs/dbraw/zinc/80/35/35/541803535.db2.gz QODPDDLWRNWLOA-INIZCTEOSA-N 1 1 357.433 2.480 40 0 FEABMO CC(C)[N@H+]1CC[C@H](c2nnc3ccc(C(=O)NCc4ccncc4)cn32)C1 ZINC000096267454 209147269 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358.529 2.119 40 0 FEABMO O=C([O-])[C@@]12C[N@H+](Cc3cccnc3)C[C@@H]1C[NH+](Cc1ccoc1)CCC2 ZINC000096185207 209132235 /nfs/dbraw/zinc/13/22/35/209132235.db2.gz LGDXWJCTBXXYDF-ICSRJNTNSA-N 1 1 355.438 2.473 40 0 FEABMO O=C([O-])[C@@]12C[N@@H+](Cc3cccnc3)C[C@@H]1C[NH+](Cc1ccoc1)CCC2 ZINC000096185207 209132239 /nfs/dbraw/zinc/13/22/39/209132239.db2.gz LGDXWJCTBXXYDF-ICSRJNTNSA-N 1 1 355.438 2.473 40 0 FEABMO O=C([O-])[C@@]12C[NH+](Cc3cccnc3)C[C@@H]1C[N@H+](Cc1ccoc1)CCC2 ZINC000096185207 209132241 /nfs/dbraw/zinc/13/22/41/209132241.db2.gz LGDXWJCTBXXYDF-ICSRJNTNSA-N 1 1 355.438 2.473 40 0 FEABMO O=C([O-])[C@@]12C[NH+](Cc3cccnc3)C[C@@H]1C[N@@H+](Cc1ccoc1)CCC2 ZINC000096185207 209132242 /nfs/dbraw/zinc/13/22/42/209132242.db2.gz LGDXWJCTBXXYDF-ICSRJNTNSA-N 1 1 355.438 2.473 40 0 FEABMO Cc1nc(C[NH+]2CCC3(CC[C@@H](C(=O)N4CCCO4)O3)CC2)cs1 ZINC000096111139 209114673 /nfs/dbraw/zinc/11/46/73/209114673.db2.gz CLKQRYVBOHIFKB-HNNXBMFYSA-N 1 1 351.472 2.129 40 0 FEABMO Cc1nc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cs1 ZINC000096108769 209113653 /nfs/dbraw/zinc/11/36/53/209113653.db2.gz LWVDFYQABRVBFO-SJLPKXTDSA-N 1 1 352.500 2.343 40 0 FEABMO Cc1nc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cs1 ZINC000096108769 209113656 /nfs/dbraw/zinc/11/36/56/209113656.db2.gz LWVDFYQABRVBFO-SJLPKXTDSA-N 1 1 352.500 2.343 40 0 FEABMO Cc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)c4cscn4)CCO[C@@H]3C2)c1 ZINC000096108097 209113131 /nfs/dbraw/zinc/11/31/31/209113131.db2.gz ZZJFTFUXLCVJKY-SJLPKXTDSA-N 1 1 357.479 2.425 40 0 FEABMO Cc1ccc(=O)n(CC2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2F)n1 ZINC000012366047 207366467 /nfs/dbraw/zinc/36/64/67/207366467.db2.gz XDCMGZWZOQIKEO-XEWABKELSA-N 1 1 357.429 2.249 40 0 FEABMO COc1ccc(S(=O)(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1F ZINC000030752986 208004675 /nfs/dbraw/zinc/00/46/75/208004675.db2.gz QHRKRWOWFIYQKZ-OKILXGFUSA-N 1 1 358.479 2.481 40 0 FEABMO COC(=O)C1=C(C)C=C([NH+]2CCOCC2)[C@@H](C(=O)OC)[C@H]1c1ccccc1 ZINC000031853540 208019954 /nfs/dbraw/zinc/01/99/54/208019954.db2.gz LXBWUMGVJIPBIQ-RBUKOAKNSA-N 1 1 371.433 2.279 40 0 FEABMO Cn1cc(C[N@H+]2C[C@@H](C(=O)Nc3ccccc3)C3(C2)CCOCC3)cn1 ZINC000096052250 209102056 /nfs/dbraw/zinc/10/20/56/209102056.db2.gz CIAXWVMGMAIZCW-SFHVURJKSA-N 1 1 354.454 2.287 40 0 FEABMO CO[C@H]1C[N@H+](CC(=O)N2CCSc3ccccc32)CC[C@@]12CCCO2 ZINC000257268544 132295812 /nfs/dbraw/zinc/29/58/12/132295812.db2.gz MMESZNAZQIFSRD-HKUYNNGSSA-N 1 1 362.495 2.395 40 0 FEABMO CO[C@H]1C[N@@H+](CC(=O)N2CCSc3ccccc32)CC[C@@]12CCCO2 ZINC000257268544 132295814 /nfs/dbraw/zinc/29/58/14/132295814.db2.gz MMESZNAZQIFSRD-HKUYNNGSSA-N 1 1 362.495 2.395 40 0 FEABMO Cc1nc(N[C@H](C)CO)cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]1 ZINC000329057180 132373011 /nfs/dbraw/zinc/37/30/11/132373011.db2.gz VVJDOZBPZYNGME-CYBMUJFWSA-N 1 1 356.470 2.368 40 0 FEABMO NCC1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(F)c1 ZINC000218550835 548687819 /nfs/dbraw/zinc/68/78/19/548687819.db2.gz CAUHBBBAZUMRKN-HZPDHXFCSA-N 1 1 368.861 2.323 40 0 FEABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000242648572 548887153 /nfs/dbraw/zinc/88/71/53/548887153.db2.gz RBAFYCGFHZOGBJ-QRVBRYPASA-N 1 1 361.463 2.369 40 0 FEABMO Cc1cccc(C[NH+]2CC3(C2)C[C@@H](OCC(=O)N2CCCC2)CS3)n1 ZINC000247871001 549387583 /nfs/dbraw/zinc/38/75/83/549387583.db2.gz LDUXKKHHDUMWHD-QGZVFWFLSA-N 1 1 361.511 2.089 40 0 FEABMO O=C(C[C@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21)NCCc1cccs1 ZINC000247886071 549389830 /nfs/dbraw/zinc/38/98/30/549389830.db2.gz XBOJLUHWESGVDX-KRWDZBQOSA-N 1 1 374.510 2.229 40 0 FEABMO O=C(C[C@H]1C[N@H+](C2CCOCC2)Cc2ccnn21)NCCc1cccs1 ZINC000247886071 549389832 /nfs/dbraw/zinc/38/98/32/549389832.db2.gz XBOJLUHWESGVDX-KRWDZBQOSA-N 1 1 374.510 2.229 40 0 FEABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COCC(=O)N(C)C)C[C@@H]32)s1 ZINC000248020673 549400376 /nfs/dbraw/zinc/40/03/76/549400376.db2.gz RHUBDYCJYGVWOQ-HYVNUMGLSA-N 1 1 352.500 2.141 40 0 FEABMO Cc1ccsc1C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccno1)CO2 ZINC000253599298 549697607 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FEABMO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC000257236433 549720020 /nfs/dbraw/zinc/72/00/20/549720020.db2.gz HCELTPCZAISMST-HNNXBMFYSA-N 1 1 354.458 2.191 40 0 FEABMO Nc1ncc(-c2ccc([C@@H]3CCCC[N@@H+]3CC(=O)N3CCCC3)cn2)cn1 ZINC000257244615 549721063 /nfs/dbraw/zinc/72/10/63/549721063.db2.gz IMCLTWWIWSEOTR-SFHVURJKSA-N 1 1 366.469 2.270 40 0 FEABMO Nc1ncc(-c2ccc([C@@H]3CCCC[N@H+]3CC(=O)N3CCCC3)cn2)cn1 ZINC000257244615 549721066 /nfs/dbraw/zinc/72/10/66/549721066.db2.gz IMCLTWWIWSEOTR-SFHVURJKSA-N 1 1 366.469 2.270 40 0 FEABMO Cc1nn(C)cc1C[N@H+]1CCc2c(=O)[nH]c(N3CCC[C@@H](C)C3)nc2C1 ZINC000257261549 549721983 /nfs/dbraw/zinc/72/19/83/549721983.db2.gz LHUOUUPWRWEBIG-CYBMUJFWSA-N 1 1 356.474 2.019 40 0 FEABMO Cc1nn(C)cc1C[N@@H+]1CCc2c(=O)[nH]c(N3CCC[C@@H](C)C3)nc2C1 ZINC000257261549 549721986 /nfs/dbraw/zinc/72/19/86/549721986.db2.gz LHUOUUPWRWEBIG-CYBMUJFWSA-N 1 1 356.474 2.019 40 0 FEABMO Cc1nc([C@]2(C)CCC[N@@H+](Cc3cccnc3)C2)nc2c1CC(=O)N2C ZINC000257315970 549727433 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360.502 2.281 40 0 FEABMO Cc1cc(C)cc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)c1 ZINC000306131568 553749803 /nfs/dbraw/zinc/74/98/03/553749803.db2.gz KITAMLQVUAUCKQ-SJORKVTESA-N 1 1 365.481 2.091 40 0 FEABMO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)c1 ZINC000306131567 553749836 /nfs/dbraw/zinc/74/98/36/553749836.db2.gz KITAMLQVUAUCKQ-IRXDYDNUSA-N 1 1 365.481 2.091 40 0 FEABMO Cc1nnsc1C(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](CC(C)C)CCO2 ZINC000306138012 553750584 /nfs/dbraw/zinc/75/05/84/553750584.db2.gz RMPBTZSXHQRNAO-RHSMWYFYSA-N 1 1 352.504 2.246 40 0 FEABMO CCCC[N@H+]1CC[C@]2(C1)COCc1cnc(NCc3cncn3C)nc12 ZINC000306142465 553751258 /nfs/dbraw/zinc/75/12/58/553751258.db2.gz WZUIZMFTKIKYIL-IBGZPJMESA-N 1 1 356.474 2.096 40 0 FEABMO O=C(NC1CCC1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccc(F)cc3)C[C@@H]1C2 ZINC000306145155 553751485 /nfs/dbraw/zinc/75/14/85/553751485.db2.gz ZZTFJWBULFUDFI-GJZGRUSLSA-N 1 1 369.444 2.004 40 0 FEABMO O[C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3)CC3(CN(Cc4ccccc4)C3)N2C1 ZINC000514288516 560034945 /nfs/dbraw/zinc/03/49/45/560034945.db2.gz BVQZNRDKSDQTCP-FCHUYYIVSA-N 1 1 363.505 2.192 40 0 biogenic,in-vitro FEABMO O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccccc4)C3)[N@@H+]2C1 ZINC000514288516 560034947 /nfs/dbraw/zinc/03/49/47/560034947.db2.gz BVQZNRDKSDQTCP-FCHUYYIVSA-N 1 1 363.505 2.192 40 0 biogenic,in-vitro FEABMO O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccccc4)C3)[N@H+]2C1 ZINC000514288516 560034949 /nfs/dbraw/zinc/03/49/49/560034949.db2.gz BVQZNRDKSDQTCP-FCHUYYIVSA-N 1 1 363.505 2.192 40 0 biogenic,in-vitro FEABMO Cc1ccccc1OC[C@]1(O)CC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000585276173 570489043 /nfs/dbraw/zinc/48/90/43/570489043.db2.gz MPYALWKXGXBNMX-NRFANRHFSA-N 1 1 357.450 2.382 40 0 FEABMO CNC(=O)[C@]1(C)CCC[N@@H+](CC2(O)CCN(c3ccc(C)cc3)CC2)C1 ZINC000585282785 570493023 /nfs/dbraw/zinc/49/30/23/570493023.db2.gz HUQKISLVJVCQNW-HXUWFJFHSA-N 1 1 359.514 2.174 40 0 FEABMO COCCNC(=O)C[C@@H]1Cn2cccc2C[N@@H+](CCc2ccccc2)C1 ZINC000585099019 571221646 /nfs/dbraw/zinc/22/16/46/571221646.db2.gz BQOSMKPWYUKOGC-IBGZPJMESA-N 1 1 355.482 2.315 40 0 FEABMO CC(C)CC[N@H+]1CCC[C@]2(CC(C(=O)NCc3cscn3)=NO2)C1 ZINC000585101114 571221875 /nfs/dbraw/zinc/22/18/75/571221875.db2.gz FEVKRBFCRMZZDS-KRWDZBQOSA-N 1 1 350.488 2.416 40 0 FEABMO O=C(c1ccnc(F)c1)N1CC[N@H+]2C[C@@H](OCc3ccccc3F)C[C@@H]2C1 ZINC000585108030 571225217 /nfs/dbraw/zinc/22/52/17/571225217.db2.gz XADBGBAILZOIQG-SJORKVTESA-N 1 1 373.403 2.475 40 0 FEABMO COc1ccc(-c2cnc3n2CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC3)cc1 ZINC000585111265 571226799 /nfs/dbraw/zinc/22/67/99/571226799.db2.gz LUILBDXFCAPFND-SFHVURJKSA-N 1 1 368.481 2.428 40 0 FEABMO Cc1[nH+]ccn1CCNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21 ZINC000012147310 539546585 /nfs/dbraw/zinc/54/65/85/539546585.db2.gz AYZKHXNNSVBKCO-UHFFFAOYSA-N 1 1 370.453 2.031 40 0 FEABMO COc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000018217523 539647698 /nfs/dbraw/zinc/64/76/98/539647698.db2.gz KIIMMCVVQQVNNR-UHFFFAOYSA-N 1 1 370.449 2.223 40 0 FEABMO CC(=O)NCCn1nc([C@H]2CC[N@@H+](CC3=CCCCC3)C2)c2nccnc21 ZINC000019021538 539650647 /nfs/dbraw/zinc/65/06/47/539650647.db2.gz AOHDXAWPCLRKCS-KRWDZBQOSA-N 1 1 368.485 2.252 40 0 FEABMO OCCOc1ccc(CN2C[C@@H](C[NH+]3CCOCC3)c3ccccc32)cc1 ZINC000019374934 539656291 /nfs/dbraw/zinc/65/62/91/539656291.db2.gz RRBFFWCJOKDTMJ-LJQANCHMSA-N 1 1 368.477 2.494 40 0 FEABMO Cc1cnc(-c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccc(F)cc2)CC3)cn1 ZINC000019239074 539654065 /nfs/dbraw/zinc/65/40/65/539654065.db2.gz AUOOSWGCQUNQQB-UHFFFAOYSA-N 1 1 351.385 2.233 40 0 FEABMO Cc1cnc(-c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc(F)cc2)CC3)cn1 ZINC000019239074 539654067 /nfs/dbraw/zinc/65/40/67/539654067.db2.gz AUOOSWGCQUNQQB-UHFFFAOYSA-N 1 1 351.385 2.233 40 0 FEABMO Cc1cccc2c(C[C@H](C)NC(=O)C[C@H]3C(=O)NCC[N@@H+]3C(C)C)c[nH]c21 ZINC000019236599 539654083 /nfs/dbraw/zinc/65/40/83/539654083.db2.gz LXIAALIOWPPTQQ-YJBOKZPZSA-N 1 1 370.497 2.122 40 0 FEABMO Cc1cccc2c(C[C@H](C)NC(=O)C[C@H]3C(=O)NCC[N@H+]3C(C)C)c[nH]c21 ZINC000019236599 539654088 /nfs/dbraw/zinc/65/40/88/539654088.db2.gz LXIAALIOWPPTQQ-YJBOKZPZSA-N 1 1 370.497 2.122 40 0 FEABMO CCn1cc(CN(CCC[NH+]2CCOCC2)Cc2cccnc2)c(C)n1 ZINC000019524498 539659596 /nfs/dbraw/zinc/65/95/96/539659596.db2.gz PKLQSSZGBRSCSE-UHFFFAOYSA-N 1 1 357.502 2.331 40 0 FEABMO CCn1cc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)c(C)n1 ZINC000019524498 539659602 /nfs/dbraw/zinc/65/96/02/539659602.db2.gz PKLQSSZGBRSCSE-UHFFFAOYSA-N 1 1 357.502 2.331 40 0 FEABMO CCn1cc(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)c(C)n1 ZINC000019524498 539659607 /nfs/dbraw/zinc/65/96/07/539659607.db2.gz PKLQSSZGBRSCSE-UHFFFAOYSA-N 1 1 357.502 2.331 40 0 FEABMO COc1cccc(C[N@H+]2CCC[C@@H]2Cn2nnc(-c3ccncc3)n2)c1 ZINC000019565275 539661469 /nfs/dbraw/zinc/66/14/69/539661469.db2.gz WZXXZPUHTCUDMM-QGZVFWFLSA-N 1 1 350.426 2.408 40 0 FEABMO Cc1nn(C[C@@H](C)C(=O)N2CC[NH+](CCOC(C)C)CC2)c(C)c1Cl ZINC000019578159 539662308 /nfs/dbraw/zinc/66/23/08/539662308.db2.gz FYSLZKNIQDMOMT-CQSZACIVSA-N 1 1 370.925 2.359 40 0 FEABMO COCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3OC)C2)no1 ZINC000019593553 539663582 /nfs/dbraw/zinc/66/35/82/539663582.db2.gz IZIMZZOHQCZWLJ-OAHLLOKOSA-N 1 1 373.453 2.439 40 0 FEABMO Cc1nonc1NC(=O)C[N@@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019654528 539664064 /nfs/dbraw/zinc/66/40/64/539664064.db2.gz JTNZTCNVYPQFJA-CYBMUJFWSA-N 1 1 354.414 2.148 40 0 FEABMO Cc1nonc1NC(=O)C[N@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019654528 539664066 /nfs/dbraw/zinc/66/40/66/539664066.db2.gz JTNZTCNVYPQFJA-CYBMUJFWSA-N 1 1 354.414 2.148 40 0 FEABMO C[C@@H](C[NH+]1CCOCC1)n1cncc1-c1cnc(N2CCC(C)CC2)nc1 ZINC000019719980 539668339 /nfs/dbraw/zinc/66/83/39/539668339.db2.gz VPPHBBPBAMNCOJ-KRWDZBQOSA-N 1 1 370.501 2.470 40 0 FEABMO C[C@H]1Cc2cc([C@H](O)C[N@@H+]3C[C@H](C)C[C@H](C)C3)ccc2N1S(C)(=O)=O ZINC000012180967 209565024 /nfs/dbraw/zinc/56/50/24/209565024.db2.gz YRZSGKKPOBJZAB-QCUYGVNKSA-N 1 1 366.527 2.409 40 0 FEABMO O=C([C@H]1CCOC1)N1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000107224541 209275040 /nfs/dbraw/zinc/27/50/40/209275040.db2.gz XYGRHSGZEDFHEY-RXVVDRJESA-N 1 1 358.482 2.416 40 0 FEABMO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CC[N@@H+](C[C@H]1CCOC1)C3 ZINC000100182225 209210354 /nfs/dbraw/zinc/21/03/54/209210354.db2.gz RFYDAUGPZYQNIN-CYBMUJFWSA-N 1 1 354.410 2.398 40 0 FEABMO Cc1ccc(C[N@@H+]2CCN(C(=O)C(C)C)C[C@]3(CC(=O)N(C)C3)C2)s1 ZINC000097952747 209200294 /nfs/dbraw/zinc/20/02/94/209200294.db2.gz JRBSVKQHWIUGTM-IBGZPJMESA-N 1 1 363.527 2.205 40 0 FEABMO Cc1ccc2c(c1)CN(C(=O)[C@H](N)c1ccccc1)[C@@H](C[NH+](C)C)CO2 ZINC000072395243 541803801 /nfs/dbraw/zinc/80/38/01/541803801.db2.gz QCKSAKOZTZDKTA-AZUAARDMSA-N 1 1 353.466 2.346 40 0 FEABMO CC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2C[N@H+]2CCC[C@H](CO)C2)C1 ZINC000072395273 541804102 /nfs/dbraw/zinc/80/41/02/541804102.db2.gz YMXXAECNNWJCNA-DLBZAZTESA-N 1 1 370.497 2.493 40 0 FEABMO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(N)n[nH]c2n1)C1CCCCC1 ZINC000072374503 541802713 /nfs/dbraw/zinc/80/27/13/541802713.db2.gz AKDSNPKQZRSXKD-MRXNPFEDSA-N 1 1 356.474 2.468 40 0 FEABMO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(N)n[nH]c2n1)C1CCCCC1 ZINC000072374503 541802714 /nfs/dbraw/zinc/80/27/14/541802714.db2.gz AKDSNPKQZRSXKD-MRXNPFEDSA-N 1 1 356.474 2.468 40 0 FEABMO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n[nH]1)N1CCOCC1 ZINC000072380491 541803020 /nfs/dbraw/zinc/80/30/20/541803020.db2.gz LZKMSOGJXXWZDY-QGZVFWFLSA-N 1 1 354.454 2.262 40 0 FEABMO O=C(c1cc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]n1)N1CCOCC1 ZINC000072380491 541803025 /nfs/dbraw/zinc/80/30/25/541803025.db2.gz LZKMSOGJXXWZDY-QGZVFWFLSA-N 1 1 354.454 2.262 40 0 FEABMO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]n1)N1CCOCC1 ZINC000072380491 541803029 /nfs/dbraw/zinc/80/30/29/541803029.db2.gz LZKMSOGJXXWZDY-QGZVFWFLSA-N 1 1 354.454 2.262 40 0 FEABMO COCC[N@@H+]1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC000096261915 209145778 /nfs/dbraw/zinc/14/57/78/209145778.db2.gz IMUPWFPRXXTKJG-FQEVSTJZSA-N 1 1 372.490 2.439 40 0 FEABMO COCC[N@H+]1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC000096261915 209145780 /nfs/dbraw/zinc/14/57/80/209145780.db2.gz IMUPWFPRXXTKJG-FQEVSTJZSA-N 1 1 372.490 2.439 40 0 FEABMO Cn1cncc1CN1CCC[C@@]2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)C1 ZINC000096223492 209139664 /nfs/dbraw/zinc/13/96/64/209139664.db2.gz ZRMVIBAWNBUBOS-AZUAARDMSA-N 1 1 355.486 2.071 40 0 FEABMO O=C(NCC[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cccnc1)C2)N1CCCC1 ZINC000096215331 209135693 /nfs/dbraw/zinc/13/56/93/209135693.db2.gz GFOYTGXQAGPLIO-QUCCMNQESA-N 1 1 358.486 2.258 40 0 FEABMO Cn1cncc1C[N@H+]1CCC[C@]2(CCC(=O)N2Cc2cccnc2)CC1 ZINC000096218029 209137609 /nfs/dbraw/zinc/13/76/09/209137609.db2.gz DBGLTRJBEJQSDK-FQEVSTJZSA-N 1 1 353.470 2.362 40 0 FEABMO C[N@@H+](Cc1cccnc1)[C@@H]1COC2(C1)CCN(C(=O)c1ccccn1)CC2 ZINC000096220881 209137565 /nfs/dbraw/zinc/13/75/65/209137565.db2.gz XWNWKQLJIITNOZ-SFHVURJKSA-N 1 1 366.465 2.372 40 0 FEABMO Cn1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)CC2)cn1 ZINC000096218089 209137146 /nfs/dbraw/zinc/13/71/46/209137146.db2.gz WZQDYRMUUKGCST-HXUWFJFHSA-N 1 1 353.470 2.362 40 0 FEABMO Cc1csc(C[N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)c3ccccc3)C2)n1 ZINC000096207824 209135039 /nfs/dbraw/zinc/13/50/39/209135039.db2.gz HUAWQNKHZNDHCE-APWZRJJASA-N 1 1 357.479 2.330 40 0 FEABMO Cc1csc(C[N@H+]2C[C@@H]3COC[C@]3(CNC(=O)c3ccccc3)C2)n1 ZINC000096207824 209135041 /nfs/dbraw/zinc/13/50/41/209135041.db2.gz HUAWQNKHZNDHCE-APWZRJJASA-N 1 1 357.479 2.330 40 0 FEABMO COC[C@H]1CCC2(CCN(C(=O)C3CCOCC3)CC2)[N@H+]1CC1CC1 ZINC000096207617 209134850 /nfs/dbraw/zinc/13/48/50/209134850.db2.gz FAGBORINZWSRIV-GOSISDBHSA-N 1 1 350.503 2.295 40 0 FEABMO O=S(=O)(N[C@@H]1CCO[C@]2(CC[N@H+](C3CCC3)C2)C1)c1ccccc1 ZINC000096207582 209134855 /nfs/dbraw/zinc/13/48/55/209134855.db2.gz CLMLFOXJGCDMOG-CRAIPNDOSA-N 1 1 350.484 2.141 40 0 FEABMO O=C(C[C@H]1C[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2O1)NCc1cccnc1 ZINC000096208085 209134332 /nfs/dbraw/zinc/13/43/32/209134332.db2.gz ASAORKIWBLLBBR-RCCFBDPRSA-N 1 1 357.479 2.439 40 0 FEABMO CC(C)n1cnc(-c2nc(C(=O)N3CC[NH+](C)CC3)c3ccccn32)c1 ZINC000096154996 209126254 /nfs/dbraw/zinc/12/62/54/209126254.db2.gz ZOASOWNPPZMKCN-UHFFFAOYSA-N 1 1 352.442 2.166 40 0 FEABMO O=C(Cc1cccs1)N1C[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC000096110926 209114868 /nfs/dbraw/zinc/11/48/68/209114868.db2.gz UDXIAZLTDAXWMG-FUHWJXTLSA-N 1 1 357.479 2.045 40 0 FEABMO O=C(Cc1ccc(F)cc1)N1C[C@@H]2C[N@@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC000096108157 209113756 /nfs/dbraw/zinc/11/37/56/209113756.db2.gz HJNYPCKSJCGFLL-QFBILLFUSA-N 1 1 358.413 2.321 40 0 FEABMO C[N@@H+](C[C@@H]1CCCN(Cc2ccccc2)C1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000019461280 220260868 /nfs/dbraw/zinc/26/08/68/220260868.db2.gz VJPLICXXVQSGRV-OALUTQOASA-N 1 1 350.528 2.408 40 0 FEABMO CN(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000019461280 220260871 /nfs/dbraw/zinc/26/08/71/220260871.db2.gz VJPLICXXVQSGRV-OALUTQOASA-N 1 1 350.528 2.408 40 0 FEABMO CN(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000019461280 220260875 /nfs/dbraw/zinc/26/08/75/220260875.db2.gz VJPLICXXVQSGRV-OALUTQOASA-N 1 1 350.528 2.408 40 0 FEABMO O=C([O-])[C@@]12C[N@H+](Cc3ccco3)C[C@@H]1C[NH+](Cc1ccncc1)CCC2 ZINC000096064258 209106243 /nfs/dbraw/zinc/10/62/43/209106243.db2.gz BHKNNNWVTVYRDI-PXNSSMCTSA-N 1 1 355.438 2.473 40 0 FEABMO O=C([O-])[C@@]12C[N@@H+](Cc3ccco3)C[C@@H]1C[NH+](Cc1ccncc1)CCC2 ZINC000096064258 209106244 /nfs/dbraw/zinc/10/62/44/209106244.db2.gz BHKNNNWVTVYRDI-PXNSSMCTSA-N 1 1 355.438 2.473 40 0 FEABMO O=C([O-])[C@@]12C[NH+](Cc3ccco3)C[C@@H]1C[N@H+](Cc1ccncc1)CCC2 ZINC000096064258 209106247 /nfs/dbraw/zinc/10/62/47/209106247.db2.gz BHKNNNWVTVYRDI-PXNSSMCTSA-N 1 1 355.438 2.473 40 0 FEABMO O=C([O-])[C@@]12C[NH+](Cc3ccco3)C[C@@H]1C[N@@H+](Cc1ccncc1)CCC2 ZINC000096064258 209106250 /nfs/dbraw/zinc/10/62/50/209106250.db2.gz BHKNNNWVTVYRDI-PXNSSMCTSA-N 1 1 355.438 2.473 40 0 FEABMO C[C@@H]1Cc2cc(C(=O)C[NH+]3CCC(C)CC3)ccc2N1S(C)(=O)=O ZINC000012186104 207345442 /nfs/dbraw/zinc/34/54/42/207345442.db2.gz QUVJGQGTTBMRBB-CQSZACIVSA-N 1 1 350.484 2.312 40 0 FEABMO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000012219469 207348437 /nfs/dbraw/zinc/34/84/37/207348437.db2.gz DEIYCZMJUJQVGH-UHFFFAOYSA-N 1 1 361.461 2.312 40 0 FEABMO Cc1ccc(N2C[C@@]3(COCC[N@H+](Cc4ccncc4)C3)OCC2=O)s1 ZINC000096051471 209101770 /nfs/dbraw/zinc/10/17/70/209101770.db2.gz FEVUDBBPPKDKLE-IBGZPJMESA-N 1 1 373.478 2.086 40 0 FEABMO Cc1ccc(N2C[C@@]3(COCC[N@@H+](Cc4ccncc4)C3)OCC2=O)s1 ZINC000096051471 209101775 /nfs/dbraw/zinc/10/17/75/209101775.db2.gz FEVUDBBPPKDKLE-IBGZPJMESA-N 1 1 373.478 2.086 40 0 FEABMO O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000096043499 209100209 /nfs/dbraw/zinc/10/02/09/209100209.db2.gz IUTLNPMGPVKHFB-BZUAXINKSA-N 1 1 358.467 2.404 40 0 FEABMO O=C(NCc1cccnc1)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096042775 209098607 /nfs/dbraw/zinc/09/86/07/209098607.db2.gz APRDHQJYWHWDRA-RCCFBDPRSA-N 1 1 357.479 2.439 40 0 FEABMO OCCNc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc[nH+]1 ZINC000329000660 132372367 /nfs/dbraw/zinc/37/23/67/132372367.db2.gz KAVLPNJWEWPEIQ-UHFFFAOYSA-N 1 1 354.332 2.342 40 0 FEABMO COc1cc2c(cc1OC)CN(c1cc(NCCCO)nc(C)[nH+]1)CC2 ZINC000329059500 132373135 /nfs/dbraw/zinc/37/31/35/132373135.db2.gz WGXTZCXIROPCKA-UHFFFAOYSA-N 1 1 358.442 2.159 40 0 FEABMO C[C@@H]1CN(c2nccc(C[N@H+]3CC[C@H](O)[C@H]4CCCC[C@@H]43)n2)C[C@H](C)O1 ZINC000072348166 136144848 /nfs/dbraw/zinc/14/48/48/136144848.db2.gz KJIXZEHJTYWXJD-PTIUUAQKSA-N 1 1 360.502 2.216 40 0 FEABMO O=C(NCC[C@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21)c1ccsc1 ZINC000247468282 549337711 /nfs/dbraw/zinc/33/77/11/549337711.db2.gz DKMDJLVMWUXUCO-INIZCTEOSA-N 1 1 360.483 2.300 40 0 FEABMO O=C(NCC[C@H]1C[N@H+](C2CCOCC2)Cc2ccnn21)c1ccsc1 ZINC000247468282 549337715 /nfs/dbraw/zinc/33/77/15/549337715.db2.gz DKMDJLVMWUXUCO-INIZCTEOSA-N 1 1 360.483 2.300 40 0 FEABMO NCC1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000218391829 548686625 /nfs/dbraw/zinc/68/66/25/548686625.db2.gz GURRKONCLLDPSU-HZPDHXFCSA-N 1 1 350.871 2.184 40 0 FEABMO Cc1cc(C[N@H+]2C[C@@H]3OC[C@H](CCOCc4ccncc4)[C@@H]3C2)n(C)n1 ZINC000248010140 549398723 /nfs/dbraw/zinc/39/87/23/549398723.db2.gz DFSVPHUMLOLOQP-IHPCNDPISA-N 1 1 356.470 2.177 40 0 FEABMO Cc1ccc(C[NH+]2CC3(C2)OCC[C@H]3CCNC(=O)c2ccnn2C)s1 ZINC000248026986 549401151 /nfs/dbraw/zinc/40/11/51/549401151.db2.gz JXSJKGGZKYYWTQ-OAHLLOKOSA-N 1 1 374.510 2.201 40 0 FEABMO Cn1cccc1C(=O)N1CC2(C1)CC[C@@H](C[N@@H+](C)Cc1cccnc1)CO2 ZINC000248140396 549410717 /nfs/dbraw/zinc/41/07/17/549410717.db2.gz TZGUJIBDBYEYHV-SFHVURJKSA-N 1 1 368.481 2.173 40 0 FEABMO COc1ccc(C[N@H+]2C[C@@H]3CN(C4CCOCC4)CCN3C(C)(C)C2)cc1 ZINC000253404002 549686338 /nfs/dbraw/zinc/68/63/38/549686338.db2.gz QTZYLCCDQKUGIJ-HXUWFJFHSA-N 1 1 373.541 2.455 40 0 biogenic,in-vitro FEABMO COc1ccc(CN2C[C@@H]3C[N@@H+](C4CCOCC4)CCN3C(C)(C)C2)cc1 ZINC000253404002 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FEABMO Cc1nc(N)cc(CC2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)[nH+]1 ZINC000019758589 539669328 /nfs/dbraw/zinc/66/93/28/539669328.db2.gz QBGWHSBAZDJJRA-UHFFFAOYSA-N 1 1 368.437 2.233 40 0 FEABMO O=C(NC[C@@H]1CO[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]12)c1ccncc1 ZINC000247387628 549326925 /nfs/dbraw/zinc/32/69/25/549326925.db2.gz KSFORJWGZYBXSC-ZHALLVOQSA-N 1 1 355.413 2.098 40 0 FEABMO O=C(NCCc1ccncc1)[C@H]1C[C@@H]2CC[N@H+](Cc3ccco3)C[C@H]2O1 ZINC000097953812 209200113 /nfs/dbraw/zinc/20/01/13/209200113.db2.gz OTZSPAKYSQVFAO-QXAKKESOSA-N 1 1 355.438 2.013 40 0 FEABMO O=C(NCCc1ccncc1)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccco3)C[C@H]2O1 ZINC000097953812 209200118 /nfs/dbraw/zinc/20/01/18/209200118.db2.gz OTZSPAKYSQVFAO-QXAKKESOSA-N 1 1 355.438 2.013 40 0 FEABMO Cn1cc(C(=O)N2CC[N@H+](C3CCCC3)C[C@@H](Cc3ccccn3)C2)cn1 ZINC000072355208 541801318 /nfs/dbraw/zinc/80/13/18/541801318.db2.gz ZYMGXVXQDYXFBC-QGZVFWFLSA-N 1 1 367.497 2.374 40 0 FEABMO Cc1nc(Nc2cnccn2)cc([C@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000072360350 541801965 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40 0 FEABMO Cc1nc2c(c(N3CCC(C(N)=O)CC3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC000019286179 539653151 /nfs/dbraw/zinc/65/31/51/539653151.db2.gz CVAAZSCVZDPSLU-UHFFFAOYSA-N 1 1 365.481 2.045 40 0 FEABMO Cc1nc2c(c(N3CCC(C(N)=O)CC3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000019286179 539653155 /nfs/dbraw/zinc/65/31/55/539653155.db2.gz CVAAZSCVZDPSLU-UHFFFAOYSA-N 1 1 365.481 2.045 40 0 FEABMO Cc1cccc(CN2C(=O)CCCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)N(C)C)c1 ZINC000257244513 223034822 /nfs/dbraw/zinc/03/48/22/223034822.db2.gz ILRKATKOOKEXQG-RBUKOAKNSA-N 1 1 357.498 2.429 40 0 FEABMO Cc1ncsc1C[N@@H+]1CCCC[C@@H]1c1ccnc2c(C(N)=O)cnn21 ZINC000257251206 223037585 /nfs/dbraw/zinc/03/75/85/223037585.db2.gz JPWFQABUPQLIBD-CYBMUJFWSA-N 1 1 356.455 2.320 40 0 FEABMO Cc1ncsc1C[N@H+]1CCCC[C@@H]1c1ccnc2c(C(N)=O)cnn21 ZINC000257251206 223037587 /nfs/dbraw/zinc/03/75/87/223037587.db2.gz JPWFQABUPQLIBD-CYBMUJFWSA-N 1 1 356.455 2.320 40 0 FEABMO O=C1CCCN1CCOc1ccc(C[NH+]2CCOCC2)c2cccnc12 ZINC000059474723 540865276 /nfs/dbraw/zinc/86/52/76/540865276.db2.gz CDOLMMULFYVJLZ-UHFFFAOYSA-N 1 1 355.438 2.068 40 0 FEABMO O=C(NC[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]12)c1ccncc1 ZINC000247397004 549328129 /nfs/dbraw/zinc/32/81/29/549328129.db2.gz MKKARZDJQLVSJK-BHIYHBOVSA-N 1 1 355.413 2.098 40 0 FEABMO Cc1ccc2c(c1)CN(C(=O)[C@H](N)c1ccccc1)[C@H](C[NH+](C)C)CO2 ZINC000072395242 541803952 /nfs/dbraw/zinc/80/39/52/541803952.db2.gz QCKSAKOZTZDKTA-UYAOXDASSA-N 1 1 353.466 2.346 40 0 FEABMO [NH3+][C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=CCS[C@@H]12 ZINC000039472531 211707947 /nfs/dbraw/zinc/70/79/47/211707947.db2.gz NYYBPASOTOAXQW-APWZRJJASA-N 1 1 366.442 2.446 40 0 FEABMO C[N@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1nonc1N ZINC000019590190 211237564 /nfs/dbraw/zinc/23/75/64/211237564.db2.gz FRDQLGASBZYCRZ-BFYDXBDKSA-N 1 1 355.442 2.134 40 0 FEABMO CCOc1cc2c(cc1C[N@H+]1CC[C@@H](c3cc(=O)[nH]c(C)n3)C1)OCO2 ZINC000019532429 211229907 /nfs/dbraw/zinc/22/99/07/211229907.db2.gz VIQMGZUTPQLLEN-CYBMUJFWSA-N 1 1 357.410 2.195 40 0 FEABMO CC[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1cn(CC)c2ccccc12 ZINC000019500321 211226760 /nfs/dbraw/zinc/22/67/60/211226760.db2.gz NEOJTIAWNGULRA-GOSISDBHSA-N 1 1 356.514 2.346 40 0 FEABMO C[NH+]1CCN([C@H](c2cccs2)c2nnnn2Cc2ccc(F)cc2)CC1 ZINC000019589952 220277522 /nfs/dbraw/zinc/27/75/22/220277522.db2.gz QOQWFTIWOKVPPI-QGZVFWFLSA-N 1 1 372.473 2.259 40 0 FEABMO C[C@@H]1C[N@H+](C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]32)C[C@H](C)O1 ZINC000020411631 220325117 /nfs/dbraw/zinc/32/51/17/220325117.db2.gz AGRFRTKLCPEWTJ-FGPBBMPLSA-N 1 1 363.498 2.381 40 0 FEABMO CCN1C[C@@]2(CC1=O)CN(C(=O)C(C)C)CC[N@H+](Cc1ccsc1)C2 ZINC000096036169 542988605 /nfs/dbraw/zinc/98/86/05/542988605.db2.gz CZPGAAIVJIVEAQ-IBGZPJMESA-N 1 1 363.527 2.287 40 0 FEABMO CCN1C[C@@]2(CC1=O)CN(C(=O)C(C)C)CC[N@@H+](Cc1ccsc1)C2 ZINC000096036169 542988610 /nfs/dbraw/zinc/98/86/10/542988610.db2.gz CZPGAAIVJIVEAQ-IBGZPJMESA-N 1 1 363.527 2.287 40 0 FEABMO O=C(c1cccnc1)N1CCO[C@H]2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000108529412 543292643 /nfs/dbraw/zinc/29/26/43/543292643.db2.gz HBRDFZJENBWCHX-OALUTQOASA-N 1 1 355.413 2.336 40 0 FEABMO O=C(c1cccnc1)N1CCO[C@H]2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000108529412 543292645 /nfs/dbraw/zinc/29/26/45/543292645.db2.gz HBRDFZJENBWCHX-OALUTQOASA-N 1 1 355.413 2.336 40 0 FEABMO Cc1ncsc1C[N@H+]1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 ZINC000096108789 222028538 /nfs/dbraw/zinc/02/85/38/222028538.db2.gz DXPUECCLUNFFIM-SJLPKXTDSA-N 1 1 352.500 2.343 40 0 FEABMO Cc1nc(CN2CCOC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)cs1 ZINC000096062329 222008581 /nfs/dbraw/zinc/00/85/81/222008581.db2.gz URMXGJDCRLPKOA-SFHVURJKSA-N 1 1 351.516 2.155 40 0 FEABMO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3ccc(O)cc3)C[C@H]2C1 ZINC000096245402 222098549 /nfs/dbraw/zinc/09/85/49/222098549.db2.gz QQRUZPDQQIKIFA-CALCHBBNSA-N 1 1 358.463 2.145 40 0 FEABMO Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)n1 ZINC000096249877 222100645 /nfs/dbraw/zinc/10/06/45/222100645.db2.gz UDSDIGRICXRKGY-VQIMIIECSA-N 1 1 355.438 2.346 40 0 FEABMO CNC(=O)c1cc2c(nc1NC(C)C)CC[N@@H+](Cc1ccccn1)CC2 ZINC000096260412 222102722 /nfs/dbraw/zinc/10/27/22/222102722.db2.gz KTQGHQVEAKKTPV-UHFFFAOYSA-N 1 1 353.470 2.257 40 0 FEABMO Cc1ccc(O[C@@H]2C[C@H]3CN(C(=O)c4cnc(C)cn4)CC[N@H+]3C2)cc1 ZINC000096183519 222069797 /nfs/dbraw/zinc/06/97/97/222069797.db2.gz ASSBBPMRNSFPSX-FUHWJXTLSA-N 1 1 352.438 2.071 40 0 FEABMO O=C(N[C@@H]1CCO[C@]2(CC[N@@H+](CC3CCOCC3)C2)C1)c1ccccc1 ZINC000096205915 222075788 /nfs/dbraw/zinc/07/57/88/222075788.db2.gz XNCCQEFTHFLSCY-TZIWHRDSSA-N 1 1 358.482 2.467 40 0 FEABMO CCOC[C@@H]1CCC2(CCN(S(=O)(=O)c3ccccc3)CC2)[N@H+]1C ZINC000096207573 222076279 /nfs/dbraw/zinc/07/62/79/222076279.db2.gz DTBOIVCZKWYSJK-INIZCTEOSA-N 1 1 352.500 2.341 40 0 FEABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CNS(C)(=O)=O)O3)s1 ZINC000096206066 222076351 /nfs/dbraw/zinc/07/63/51/222076351.db2.gz DNPLATDKGWQLKJ-GDBMZVCRSA-N 1 1 358.529 2.119 40 0 FEABMO COC[C@H]1CC2(C[N@H+]1CC1CC1)CCN(C(=O)C1CCOCC1)CC2 ZINC000096207485 222077262 /nfs/dbraw/zinc/07/72/62/222077262.db2.gz MEHZCAOFHBLJFG-GOSISDBHSA-N 1 1 350.503 2.153 40 0 FEABMO COCC[N@H+]1CC2(C[C@@H]1COC)CCN(Cc1nc(C)cs1)CC2 ZINC000096208649 222077798 /nfs/dbraw/zinc/07/77/98/222077798.db2.gz OHPHKVITGOIODT-MRXNPFEDSA-N 1 1 353.532 2.401 40 0 FEABMO CN1C[C@H](COCc2ccccn2)[C@]2(CC[N@H+](CC3CCOCC3)C2)C1 ZINC000096220677 222083455 /nfs/dbraw/zinc/08/34/55/222083455.db2.gz VLGXJOLPOXZIBT-TZIWHRDSSA-N 1 1 359.514 2.279 40 0 FEABMO CN1C[C@H](COCc2ccccn2)[C@]2(CC[N@@H+](CC3CCOCC3)C2)C1 ZINC000096220677 222083458 /nfs/dbraw/zinc/08/34/58/222083458.db2.gz VLGXJOLPOXZIBT-TZIWHRDSSA-N 1 1 359.514 2.279 40 0 FEABMO Cc1noc(C)c1C[N@H+]1CCC[C@]2(C1)COCCN(c1ncccn1)C2 ZINC000096229114 222089965 /nfs/dbraw/zinc/08/99/65/222089965.db2.gz PQXLHSJRCGKXLU-LJQANCHMSA-N 1 1 357.458 2.200 40 0 FEABMO O=C(NC[C@@H]1Cn2nccc2C[N@@H+](CC2CCOCC2)C1)c1ccsc1 ZINC000247501615 549346594 /nfs/dbraw/zinc/34/65/94/549346594.db2.gz QEFFCOUTEQOHSV-INIZCTEOSA-N 1 1 374.510 2.233 40 0 FEABMO NCC1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000218389168 548686719 /nfs/dbraw/zinc/68/67/19/548686719.db2.gz QIZZQDQJMCKMSM-HZPDHXFCSA-N 1 1 350.871 2.184 40 0 FEABMO NCC1(C[NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218391673 548686783 /nfs/dbraw/zinc/68/67/83/548686783.db2.gz GURRKONCLLDPSU-CVEARBPZSA-N 1 1 350.871 2.184 40 0 FEABMO C[C@]1(C(=O)NCCO)CCC[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000585271112 570485417 /nfs/dbraw/zinc/48/54/17/570485417.db2.gz QWBHHRQFSDMQQQ-OAQYLSRUSA-N 1 1 369.465 2.124 40 0 FEABMO CN(C)C(=O)[C@@H]1CN(C)CC[N@@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C1 ZINC000585282956 570493142 /nfs/dbraw/zinc/49/31/42/570493142.db2.gz KJGGTQDHLBNQIX-SJBKTWHCSA-N 1 1 373.541 2.027 40 0 FEABMO Cc1ccc(Cl)c(OC[C@@]2(O)C[N@@H+](CC3(O)CCCC3)CC[C@@H]2O)c1 ZINC000585284383 570494173 /nfs/dbraw/zinc/49/41/73/570494173.db2.gz XSYKPQMICHRCHE-HKUYNNGSSA-N 1 1 369.889 2.130 40 0 FEABMO CC(C)NC(=O)CN1C(=O)CC[C@@]12CCC[N@@H+](Cc1nccs1)CC2 ZINC000585100688 571221436 /nfs/dbraw/zinc/22/14/36/571221436.db2.gz SWIMKMUQJNTYJU-GOSISDBHSA-N 1 1 364.515 2.015 40 0 FEABMO CCn1cc(C[N@H+]2Cc3cccn3C[C@@H](CC(=O)NCC3CC3)C2)cn1 ZINC000585099215 571221712 /nfs/dbraw/zinc/22/17/12/571221712.db2.gz VSIQCMFKONHPBN-KRWDZBQOSA-N 1 1 355.486 2.253 40 0 FEABMO CCn1cc(C[N@@H+]2Cc3cccn3C[C@@H](CC(=O)NCC3CC3)C2)cn1 ZINC000585099215 571221714 /nfs/dbraw/zinc/22/17/14/571221714.db2.gz VSIQCMFKONHPBN-KRWDZBQOSA-N 1 1 355.486 2.253 40 0 FEABMO CC(C)CC[N@H+]1CCC[C@]2(CC(C(=O)NCCCn3ccnc3)=NO2)C1 ZINC000585101336 571222229 /nfs/dbraw/zinc/22/22/29/571222229.db2.gz YVKDNIQOOQVDBP-IBGZPJMESA-N 1 1 361.490 2.046 40 0 FEABMO COCC[N@H+]1C[C@@H](COC)C2(C1)CCN(C(=O)Cc1ccc(C)cc1)CC2 ZINC000585104021 571222688 /nfs/dbraw/zinc/22/26/88/571222688.db2.gz VGEAVTZKDVZFPU-FQEVSTJZSA-N 1 1 374.525 2.371 40 0 FEABMO CCS(=O)(=O)NCC[C@H]1CCOC12C[NH+](Cc1cc(C)cc(C)c1)C2 ZINC000585102870 571223140 /nfs/dbraw/zinc/22/31/40/571223140.db2.gz LMDXHHOHMXUQGI-SFHVURJKSA-N 1 1 366.527 2.224 40 0 FEABMO Cn1cc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4cccnc4)[C@@H]3C2)c(C(F)F)n1 ZINC000585107678 571224653 /nfs/dbraw/zinc/22/46/53/571224653.db2.gz QTQQBSFUXHEORP-DZGCQCFKSA-N 1 1 361.396 2.099 40 0 FEABMO Cn1cc(C(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(C(F)F)n1 ZINC000585108113 571225199 /nfs/dbraw/zinc/22/51/99/571225199.db2.gz FYXGSBDGKMOUOV-LSDHHAIUSA-N 1 1 361.396 2.242 40 0 FEABMO Cn1cc(C(=O)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(C(F)F)n1 ZINC000585108113 571225200 /nfs/dbraw/zinc/22/52/00/571225200.db2.gz FYXGSBDGKMOUOV-LSDHHAIUSA-N 1 1 361.396 2.242 40 0 FEABMO O=C(c1ccnc(F)c1)N1C[C@H]2c3ccccc3[C@H]([NH+]3CCOCC3)[C@H]2C1 ZINC000585109294 571225613 /nfs/dbraw/zinc/22/56/13/571225613.db2.gz HICBLVYFJNNHGO-BJLQDIEVSA-N 1 1 367.424 2.463 40 0 FEABMO CN(C)c1nc([C@H]2CCC[N@@H+](CC3(O)CCOCC3)C2)cn2cccc12 ZINC000257307997 529804769 /nfs/dbraw/zinc/80/47/69/529804769.db2.gz TVAPGJVCMBXQMG-INIZCTEOSA-N 1 1 358.486 2.121 40 0 FEABMO COC(=O)C1=CO[C@H](C)[C@@H]2C[N@H+]3CC[C@]4(C(=O)Nc5ccccc54)[C@H]3C[C@@H]12 ZINC000002510833 539349047 /nfs/dbraw/zinc/34/90/47/539349047.db2.gz JMIAZDVHNCCPDM-RQAIZACNSA-N 1 1 368.433 2.063 40 0 biogenic,in-vitro FEABMO O=C(C[C@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000004196716 539378556 /nfs/dbraw/zinc/37/85/56/539378556.db2.gz PPZYWGRLAWHOLR-MELADBBJSA-N 1 1 355.360 2.433 40 0 FEABMO C[N@H+]1CCN(C(=O)c2cncnc2)C[C@H](Cc2cnc3ccccc3c2)C1 ZINC000257326320 530070003 /nfs/dbraw/zinc/07/00/03/530070003.db2.gz WWTSRXFIGKSADC-QGZVFWFLSA-N 1 1 361.449 2.271 40 0 FEABMO COc1ccc2c(c1)O[C@@]1(CCC[N@H+](Cc3ccccn3)C1)CNC2=O ZINC000012086788 539542627 /nfs/dbraw/zinc/54/26/27/539542627.db2.gz OGWZWJBAHYZUKQ-FQEVSTJZSA-N 1 1 353.422 2.247 40 0 FEABMO COc1ccc2c(c1)O[C@@]1(CCC[N@@H+](Cc3ccccn3)C1)CNC2=O ZINC000012086788 539542630 /nfs/dbraw/zinc/54/26/30/539542630.db2.gz OGWZWJBAHYZUKQ-FQEVSTJZSA-N 1 1 353.422 2.247 40 0 FEABMO Oc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)cc1 ZINC000012142551 539545739 /nfs/dbraw/zinc/54/57/39/539545739.db2.gz XPNBJRHERJNKHG-HNAYVOBHSA-N 1 1 352.438 2.281 40 0 FEABMO Oc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)cc1 ZINC000012142551 539545744 /nfs/dbraw/zinc/54/57/44/539545744.db2.gz XPNBJRHERJNKHG-HNAYVOBHSA-N 1 1 352.438 2.281 40 0 FEABMO COc1ccc2cc(C(=O)N3CCC(O)(Cn4cc[nH+]c4C)CC3)[nH]c2c1 ZINC000012143486 539545881 /nfs/dbraw/zinc/54/58/81/539545881.db2.gz LBNQBLKBKMUAMG-UHFFFAOYSA-N 1 1 368.437 2.349 40 0 FEABMO O=C(C[N@H+]1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCCCC1 ZINC000012235961 539551389 /nfs/dbraw/zinc/55/13/89/539551389.db2.gz QFLNYJBOKGHDAQ-KRWDZBQOSA-N 1 1 372.513 2.162 40 0 FEABMO O=C(NC[C@H]1CO[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]12)C1CC(F)(F)C1 ZINC000306141167 210057522 /nfs/dbraw/zinc/05/75/22/210057522.db2.gz VMYDGVAXUBGULM-RRFJBIMHSA-N 1 1 356.438 2.356 40 0 FEABMO CN(C)C(=O)NCC[C@@H]1Cn2nccc2C[N@@H+](CCc2ccccc2)C1 ZINC000306130118 210052075 /nfs/dbraw/zinc/05/20/75/210052075.db2.gz IWNMEQVYQUAQBY-SFHVURJKSA-N 1 1 355.486 2.219 40 0 FEABMO C[N@H+]1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)c1cccnc1)C2 ZINC000306123492 210048397 /nfs/dbraw/zinc/04/83/97/210048397.db2.gz AOVIDLFEYYUWLE-QGZVFWFLSA-N 1 1 366.465 2.230 40 0 FEABMO CC(=O)N1CCC[C@H](c2nnc3n2CC[N@H+](Cc2ccc(F)cc2)CC3)C1 ZINC000019709525 539666546 /nfs/dbraw/zinc/66/65/46/539666546.db2.gz AJWJFDTXFYYQOS-KRWDZBQOSA-N 1 1 371.460 2.201 40 0 FEABMO COc1ccc(CC[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)cc1OC ZINC000000848835 219330926 /nfs/dbraw/zinc/33/09/26/219330926.db2.gz PGBOUWZYFIQFTP-UHFFFAOYSA-N 1 1 368.433 2.474 40 0 biogenic,in-vitro FEABMO CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000035311576 539980642 /nfs/dbraw/zinc/98/06/42/539980642.db2.gz AKJGDQIQAZUPKQ-OAHLLOKOSA-N 1 1 367.515 2.434 40 0 FEABMO COc1cc2c(cc1OC)[C@@]1(Cc3ccc4c(c3[C@H]1O)OCO4)[N@@H+](C)CC2 ZINC000059589190 291051930 /nfs/dbraw/zinc/05/19/30/291051930.db2.gz QDNMFIYGVRUVCE-NHCUHLMSSA-N 1 1 369.417 2.405 40 0 biogenic,in-vitro FEABMO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(O)(c2ccc3c(c2)OCO3)CC1 ZINC000004967580 219631509 /nfs/dbraw/zinc/63/15/09/219631509.db2.gz ZCSDJVGKLBEGCJ-DOTOQJQBSA-N 1 1 374.481 2.394 40 0 FEABMO O=C(COc1ccc(F)cc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047276305 540301427 /nfs/dbraw/zinc/30/14/27/540301427.db2.gz QANJOVZKWSDQMB-UHFFFAOYSA-N 1 1 358.413 2.353 40 0 FEABMO CN(C)Cc1cn(-c2ccccc2C(=O)NC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000257335349 223069653 /nfs/dbraw/zinc/06/96/53/223069653.db2.gz YJUMFCVYSDPSES-MRXNPFEDSA-N 1 1 355.486 2.006 40 0 FEABMO Cn1cncc1C[N@H+]1CCC[C@@H](c2cnc(Nc3cnccn3)cn2)C1 ZINC000257336963 223071061 /nfs/dbraw/zinc/07/10/61/223071061.db2.gz YQUXPFMKARVPAL-CQSZACIVSA-N 1 1 350.430 2.123 40 0 FEABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)[C@H]1O ZINC000257335461 223070496 /nfs/dbraw/zinc/07/04/96/223070496.db2.gz YKFZKMKCNROGRB-MBOZVWFJSA-N 1 1 367.453 2.271 40 0 FEABMO Cc1ncc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 ZINC000072392998 541803729 /nfs/dbraw/zinc/80/37/29/541803729.db2.gz RRROELQNVKONKV-KRWDZBQOSA-N 1 1 362.437 2.310 40 0 FEABMO Cc1cccc(Nc2nccnc2[C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)n1 ZINC000072362461 541802094 /nfs/dbraw/zinc/80/20/94/541802094.db2.gz WUVQICHXVIWPFC-HNNXBMFYSA-N 1 1 354.458 2.191 40 0 FEABMO Cc1cccc(Nc2nccnc2[C@H]2CCC[N@H+](CC(=O)N(C)C)C2)n1 ZINC000072362461 541802097 /nfs/dbraw/zinc/80/20/97/541802097.db2.gz WUVQICHXVIWPFC-HNNXBMFYSA-N 1 1 354.458 2.191 40 0 FEABMO O=C(c1cc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n[nH]1)N1CCOCC1 ZINC000072380524 541802817 /nfs/dbraw/zinc/80/28/17/541802817.db2.gz TWCRDULNNKDWPE-INIZCTEOSA-N 1 1 372.444 2.401 40 0 FEABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000073743148 541994404 /nfs/dbraw/zinc/99/44/04/541994404.db2.gz NZBKPVHXANNCCI-GFCCVEGCSA-N 1 1 368.275 2.297 40 0 FEABMO CN1CC[NH+](CCCNC(=O)CSCc2c(F)cccc2Cl)CC1 ZINC000022934770 211370978 /nfs/dbraw/zinc/37/09/78/211370978.db2.gz IQLTUVWBTUADIP-UHFFFAOYSA-N 1 1 373.925 2.466 40 0 FEABMO CN1CC[NH+](CCCNC(=O)CCCOc2ccc(Cl)cc2)CC1 ZINC000022933920 211370161 /nfs/dbraw/zinc/37/01/61/211370161.db2.gz DGDJRZQSOAOXNI-UHFFFAOYSA-N 1 1 353.894 2.253 40 0 FEABMO O=C(c1cc(CC2([NH2+]Cc3ccccc3)COC2)no1)N1CCCCC1 ZINC000067898478 211279447 /nfs/dbraw/zinc/27/94/47/211279447.db2.gz SNCXQZQGUMRZBY-UHFFFAOYSA-N 1 1 355.438 2.402 40 0 biogenic,in-vitro FEABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019591948 211240906 /nfs/dbraw/zinc/24/09/06/211240906.db2.gz QNTZEMNTLHBYFY-QZTJIDSGSA-N 1 1 365.481 2.038 40 0 FEABMO COc1ccccc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019590561 211240096 /nfs/dbraw/zinc/24/00/96/211240096.db2.gz AKWPUKFKYOLQGR-KRWDZBQOSA-N 1 1 352.438 2.450 40 0 FEABMO C[C@H](CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2)n1cccn1 ZINC000019455331 211222538 /nfs/dbraw/zinc/22/25/38/211222538.db2.gz STXWLTPUALOHSZ-QAPCUYQASA-N 1 1 368.485 2.366 40 0 FEABMO Cc1cnc(-c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2F)CC3)cn1 ZINC000019239082 211208852 /nfs/dbraw/zinc/20/88/52/211208852.db2.gz WQUIBJVKAULZTO-UHFFFAOYSA-N 1 1 351.385 2.233 40 0 FEABMO Cc1cnc(-c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2F)CC3)cn1 ZINC000019239082 211208856 /nfs/dbraw/zinc/20/88/56/211208856.db2.gz WQUIBJVKAULZTO-UHFFFAOYSA-N 1 1 351.385 2.233 40 0 FEABMO O=c1[nH]c(N2CCCC2)nc2c1CC[N@@H+](Cc1ccc(F)cc1F)CC2 ZINC000019293070 211214620 /nfs/dbraw/zinc/21/46/20/211214620.db2.gz QDFFOBSOUPJGEX-UHFFFAOYSA-N 1 1 360.408 2.249 40 0 FEABMO C[NH+]1CCN([C@H](c2nnnn2Cc2ccccc2)c2ccc(F)cc2)CC1 ZINC000020121089 220314569 /nfs/dbraw/zinc/31/45/69/220314569.db2.gz PHVUSCOJWUPTFS-IBGZPJMESA-N 1 1 366.444 2.197 40 0 FEABMO COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(C(=O)c4ncccn4)C[C@@H]32)cc1 ZINC000257235833 533207601 /nfs/dbraw/zinc/20/76/01/533207601.db2.gz GZSZJTXHPDDELW-KZNAEPCWSA-N 1 1 352.438 2.045 40 0 FEABMO Cc1ccc(C[N@@H+]2CCOC[C@]3(CN(c4cccnc4)C(=O)CO3)C2)s1 ZINC000096240153 132223662 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40 0 FEABMO COc1ccc(C[N@H+]2CCC[C@@]3(CCCCN3S(C)(=O)=O)C2)cc1 ZINC000096047425 542989412 /nfs/dbraw/zinc/98/94/12/542989412.db2.gz VHCQDBIUATURQR-SFHVURJKSA-N 1 1 352.500 2.475 40 0 FEABMO Cc1ccsc1C[N@H+]1C[C@@H]2COC[C@]2(CNC(=O)c2cccnc2)C1 ZINC000096108512 222025858 /nfs/dbraw/zinc/02/58/58/222025858.db2.gz BETKIDRCYHLAAB-APWZRJJASA-N 1 1 357.479 2.330 40 0 FEABMO O=C1C[C@@]2(CC[N@@H+](CC3CCOCC3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050786 222001729 /nfs/dbraw/zinc/00/17/29/222001729.db2.gz RPJOJIQTFFSFGV-HXUWFJFHSA-N 1 1 358.438 2.271 40 0 FEABMO COc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@@H]3C2)cc1 ZINC000096058260 222005544 /nfs/dbraw/zinc/00/55/44/222005544.db2.gz AODFTURNXNKDPB-HSALFYBXSA-N 1 1 358.482 2.448 40 0 FEABMO c1csc(CN2CCOC[C@@]3(CC[N@H+](Cc4nccs4)C3)C2)n1 ZINC000096062424 222009270 /nfs/dbraw/zinc/00/92/70/222009270.db2.gz UMYWWYKIOJTAKX-MRXNPFEDSA-N 1 1 350.513 2.324 40 0 FEABMO c1csc(CN2CCOC[C@@]3(CC[N@@H+](Cc4nccs4)C3)C2)n1 ZINC000096062424 222009274 /nfs/dbraw/zinc/00/92/74/222009274.db2.gz UMYWWYKIOJTAKX-MRXNPFEDSA-N 1 1 350.513 2.324 40 0 FEABMO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccco3)C[C@H]21 ZINC000096066348 222011231 /nfs/dbraw/zinc/01/12/31/222011231.db2.gz OUROXTGYHCJDTR-CEXWTWQISA-N 1 1 355.438 2.218 40 0 FEABMO C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 ZINC000096076180 222013150 /nfs/dbraw/zinc/01/31/50/222013150.db2.gz CGHLHFPFXSFFBI-SFHVURJKSA-N 1 1 362.861 2.172 40 0 FEABMO Cn1cc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ncc(F)cn4)C3)C2)cn1 ZINC000096239779 222095275 /nfs/dbraw/zinc/09/52/75/222095275.db2.gz MTVPJBXABKLUOA-INIZCTEOSA-N 1 1 366.391 2.087 40 0 FEABMO Cn1cc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ncc(F)cn4)C3)C2)cn1 ZINC000096239779 222095279 /nfs/dbraw/zinc/09/52/79/222095279.db2.gz MTVPJBXABKLUOA-INIZCTEOSA-N 1 1 366.391 2.087 40 0 FEABMO CC(C)C[N@H+]1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)c4ccccc4)CC3)[C@@H]2C1 ZINC000096143536 222047121 /nfs/dbraw/zinc/04/71/21/222047121.db2.gz FKGVVEHOBNFYPF-RBUKOAKNSA-N 1 1 369.509 2.337 40 0 FEABMO O=C(Cc1cccc(F)c1)N1CC[N@H+]2C[C@H](Oc3cccnc3)C[C@H]2C1 ZINC000096183359 222069718 /nfs/dbraw/zinc/06/97/18/222069718.db2.gz ZCEDDDJXXDXVKP-PKOBYXMFSA-N 1 1 355.413 2.127 40 0 FEABMO O=C(C[C@H]1OC[C@H]2C[N@@H+](Cc3ccncc3)CC[C@H]21)NCc1ccco1 ZINC000096218128 222081310 /nfs/dbraw/zinc/08/13/10/222081310.db2.gz ODIXSHCJPGZXDM-BHIYHBOVSA-N 1 1 355.438 2.218 40 0 FEABMO Cn1cc(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)CC2)cn1 ZINC000096218092 222082670 /nfs/dbraw/zinc/08/26/70/222082670.db2.gz WZQDYRMUUKGCST-FQEVSTJZSA-N 1 1 353.470 2.362 40 0 FEABMO Cc1ccc(C[N@H+]2CC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)cc1 ZINC000096225795 222087052 /nfs/dbraw/zinc/08/70/52/222087052.db2.gz FUYDIBUFWGLGJU-OAQYLSRUSA-N 1 1 364.449 2.427 40 0 FEABMO COCC[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228769 222089358 /nfs/dbraw/zinc/08/93/58/222089358.db2.gz HQFIBFVYWDQXRZ-NRFANRHFSA-N 1 1 371.481 2.369 40 0 FEABMO Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(C)CC[N@H+]3CC2CC2)c(C)o1 ZINC000096230289 222091414 /nfs/dbraw/zinc/09/14/14/222091414.db2.gz UIYNXBPWUMHBAK-UHFFFAOYSA-N 1 1 359.470 2.055 40 0 FEABMO CC[NH+]1CCN([C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000101274208 222266642 /nfs/dbraw/zinc/26/66/42/222266642.db2.gz RYJFFYJXODRQAQ-CQSZACIVSA-N 1 1 356.253 2.263 40 0 FEABMO CS(=O)(=O)N1C[C@@H]2C[N@@H+](Cc3ccco3)CC[C@@]2(c2ccccc2)C1 ZINC000247521273 549350484 /nfs/dbraw/zinc/35/04/84/549350484.db2.gz LQAHJYLESBGUBN-HKUYNNGSSA-N 1 1 360.479 2.315 40 0 FEABMO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000096230461 536330945 /nfs/dbraw/zinc/33/09/45/536330945.db2.gz HSNHTYGYMGEQJW-FQEVSTJZSA-N 1 1 354.429 2.144 40 0 FEABMO CN1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096238077 536331802 /nfs/dbraw/zinc/33/18/02/536331802.db2.gz WBSPIITVETVXKI-HXUWFJFHSA-N 1 1 354.429 2.144 40 0 FEABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218101558 548685414 /nfs/dbraw/zinc/68/54/14/548685414.db2.gz RBAFYCGFHZOGBJ-FHWLQOOXSA-N 1 1 361.463 2.369 40 0 FEABMO Cn1cccc1C(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccccc3)C2)OC1 ZINC000248157481 549412145 /nfs/dbraw/zinc/41/21/45/549412145.db2.gz WDLNNYMXWVBKKZ-SFHVURJKSA-N 1 1 353.466 2.436 40 0 FEABMO Cc1nnc(N2CC3(C2)C[C@@H](COCc2cccnc2)CC[N@H+]3C)s1 ZINC000248161901 549413038 /nfs/dbraw/zinc/41/30/38/549413038.db2.gz YABUOBPRZKKGCJ-HNNXBMFYSA-N 1 1 359.499 2.359 40 0 FEABMO Cc1nnc(N2CC3(C2)C[C@@H](COCc2cccnc2)CC[N@@H+]3C)s1 ZINC000248161901 549413040 /nfs/dbraw/zinc/41/30/40/549413040.db2.gz YABUOBPRZKKGCJ-HNNXBMFYSA-N 1 1 359.499 2.359 40 0 FEABMO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1 ZINC000250673833 549643723 /nfs/dbraw/zinc/64/37/23/549643723.db2.gz OHEWRGOAIJXQLH-RDJZCZTQSA-N 1 1 358.438 2.210 40 0 FEABMO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1 ZINC000250673833 549643724 /nfs/dbraw/zinc/64/37/24/549643724.db2.gz OHEWRGOAIJXQLH-RDJZCZTQSA-N 1 1 358.438 2.210 40 0 FEABMO C[C@@H]1c2nc(CC(=O)NCc3cccnc3)cn2CC[N@H+]1CC1CCC1 ZINC000253590931 549695844 /nfs/dbraw/zinc/69/58/44/549695844.db2.gz HSBRWTGSROPGCJ-OAHLLOKOSA-N 1 1 353.470 2.314 40 0 FEABMO C[C@@H]1c2nc(CC(=O)NCc3cccnc3)cn2CC[N@@H+]1CC1CCC1 ZINC000253590931 549695848 /nfs/dbraw/zinc/69/58/48/549695848.db2.gz HSBRWTGSROPGCJ-OAHLLOKOSA-N 1 1 353.470 2.314 40 0 FEABMO O[C@H]1C[N@@H+](Cc2ccc(OCCF)cc2)C[C@@H]1N1CCC(F)(F)CC1 ZINC000257312005 549726560 /nfs/dbraw/zinc/72/65/60/549726560.db2.gz ULZNLBVWJOFDFW-IRXDYDNUSA-N 1 1 358.404 2.311 40 0 FEABMO O[C@H]1CN(Cc2ccc(OCCF)cc2)C[C@@H]1[NH+]1CCC(F)(F)CC1 ZINC000257312005 549726564 /nfs/dbraw/zinc/72/65/64/549726564.db2.gz ULZNLBVWJOFDFW-IRXDYDNUSA-N 1 1 358.404 2.311 40 0 FEABMO Cc1nc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)CCO2)no1 ZINC000328894519 553840067 /nfs/dbraw/zinc/84/00/67/553840067.db2.gz AUZYJAICMCJMES-OLMNPRSZSA-N 1 1 370.453 2.046 40 0 FEABMO O=S1(=O)N[C@@H]2C[N@H+](CCCc3ccccc3)C[C@@H]2Oc2ccccc21 ZINC000514288859 560033745 /nfs/dbraw/zinc/03/37/45/560033745.db2.gz CNWQLECQZHUEKA-AEFFLSMTSA-N 1 1 358.463 2.043 40 0 biogenic,in-vitro FEABMO O=S1(=O)N[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@@H]2Oc2ccccc21 ZINC000514288859 560033746 /nfs/dbraw/zinc/03/37/46/560033746.db2.gz CNWQLECQZHUEKA-AEFFLSMTSA-N 1 1 358.463 2.043 40 0 biogenic,in-vitro FEABMO COc1cccc(OCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000224751282 570999937 /nfs/dbraw/zinc/99/99/37/570999937.db2.gz QDHYORPIMCCHLS-UHFFFAOYSA-N 1 1 370.449 2.223 40 0 FEABMO CS(=O)(=O)NCC[C@@H]1Cn2cccc2C[N@H+](Cc2ccsc2)C1 ZINC000585095071 571219687 /nfs/dbraw/zinc/21/96/87/571219687.db2.gz CSXXLRVDHHIGRV-AWEZNQCLSA-N 1 1 353.513 2.121 40 0 FEABMO CS(=O)(=O)NCC[C@@H]1Cn2cccc2C[N@@H+](Cc2ccsc2)C1 ZINC000585095071 571219690 /nfs/dbraw/zinc/21/96/90/571219690.db2.gz CSXXLRVDHHIGRV-AWEZNQCLSA-N 1 1 353.513 2.121 40 0 FEABMO Cc1ccoc1C(=O)N1CC2(C1)C[C@H](COCc1ccccn1)C[N@@H+]2C ZINC000585093906 571220438 /nfs/dbraw/zinc/22/04/38/571220438.db2.gz OOOUEIYGCGFYFS-INIZCTEOSA-N 1 1 355.438 2.346 40 0 FEABMO COCCNC(=O)C[C@H]1Cn2cccc2C[N@@H+](Cc2ccccc2OC)C1 ZINC000585099084 571221572 /nfs/dbraw/zinc/22/15/72/571221572.db2.gz JHMHLHTURUGVRV-QGZVFWFLSA-N 1 1 371.481 2.281 40 0 FEABMO O=C(C[C@H]1Cn2cccc2C[N@@H+](CCc2ccccc2)C1)N1CCOCC1 ZINC000585099264 571221815 /nfs/dbraw/zinc/22/18/15/571221815.db2.gz ZLZCEZBDMCCMIG-HXUWFJFHSA-N 1 1 367.493 2.412 40 0 FEABMO CCc1cc(C(=O)N2CCO[C@@H](CCc3cc[nH+]c(N(C)C)c3)C2)no1 ZINC000257235888 529513995 /nfs/dbraw/zinc/51/39/95/529513995.db2.gz GZZJDVOKMHASTK-INIZCTEOSA-N 1 1 358.442 2.172 40 0 FEABMO CSc1nnc(C2CC[NH+](CC(=O)NCc3ccc(C)cc3)CC2)n1C ZINC000005001378 539399755 /nfs/dbraw/zinc/39/97/55/539399755.db2.gz PLILJIUKAQYGRD-UHFFFAOYSA-N 1 1 373.526 2.341 40 0 FEABMO Cc1ccc(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000012184308 539548659 /nfs/dbraw/zinc/54/86/59/539548659.db2.gz SCNMQNAORIRCJP-IYBDPMFKSA-N 1 1 368.481 2.250 40 0 FEABMO Cc1ccc(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000012184308 539548663 /nfs/dbraw/zinc/54/86/63/539548663.db2.gz SCNMQNAORIRCJP-IYBDPMFKSA-N 1 1 368.481 2.250 40 0 FEABMO C[N@H+]1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1cccc(O)c1)C2 ZINC000306145085 210059328 /nfs/dbraw/zinc/05/93/28/210059328.db2.gz ZXLCQSUBUZSMSD-MRXNPFEDSA-N 1 1 367.449 2.403 40 0 FEABMO COCCN1CC[C@]2(C[N@H+](C3CCC3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306134265 210054019 /nfs/dbraw/zinc/05/40/19/210054019.db2.gz NHGWILRXXQRKOW-FXAWDEMLSA-N 1 1 360.502 2.281 40 0 FEABMO Cc1noc(C)c1C[N@H+]1C[C@@H]2OC[C@H](CCOc3nccc(C)n3)[C@@H]2C1 ZINC000306127089 210051835 /nfs/dbraw/zinc/05/18/35/210051835.db2.gz FOHFAVPHLOXZMW-SZMVWBNQSA-N 1 1 358.442 2.306 40 0 FEABMO CN(C)C(=O)NCC[C@H]1Cn2nccc2C[N@@H+](CCc2ccccc2)C1 ZINC000306130117 210050958 /nfs/dbraw/zinc/05/09/58/210050958.db2.gz IWNMEQVYQUAQBY-GOSISDBHSA-N 1 1 355.486 2.219 40 0 FEABMO O=C(c1cnccn1)N1CC2(C1)C[C@@H](COCC1CC1)CC[N@H+]2CC1CC1 ZINC000306131047 210050905 /nfs/dbraw/zinc/05/09/05/210050905.db2.gz JVHOUHZHXLNKDS-SFHVURJKSA-N 1 1 370.497 2.220 40 0 FEABMO CC(C)n1cnc([C@@H]2C[N@@H+](C)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306139423 210055382 /nfs/dbraw/zinc/05/53/82/210055382.db2.gz SWWRQOKGUXRSJE-PXNSSMCTSA-N 1 1 353.470 2.307 40 0 FEABMO CC(C)C[N@H+]1C[C@@H](c2cn(C)cn2)[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC000306134732 210054302 /nfs/dbraw/zinc/05/43/02/210054302.db2.gz NWNHERGUEBCHFA-GHTZIAJQSA-N 1 1 367.497 2.289 40 0 FEABMO COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(C2CCCCC2)nn1C ZINC000012602037 539566472 /nfs/dbraw/zinc/56/64/72/539566472.db2.gz ODDQEWJCLJXNIT-KSZLIROESA-N 1 1 374.529 2.408 40 0 biogenic,in-vitro FEABMO CC(=O)N1CCC[C@H](c2nnc3n2CC[N@H+](Cc2cccc(F)c2)CC3)C1 ZINC000019709485 539666201 /nfs/dbraw/zinc/66/62/01/539666201.db2.gz JBPVSUAILVOQBN-KRWDZBQOSA-N 1 1 371.460 2.201 40 0 FEABMO C[NH+](C)Cc1cc(C2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)[nH]n1 ZINC000019708944 539666594 /nfs/dbraw/zinc/66/65/94/539666594.db2.gz RPBILLWJWLIMIA-UHFFFAOYSA-N 1 1 370.453 2.262 40 0 FEABMO Cc1nccc([C@@H]2CCCN(C(=O)CC[N@H+](C)Cc3cccnc3)C2)n1 ZINC000257200735 223016908 /nfs/dbraw/zinc/01/69/08/223016908.db2.gz AERGVPXWNZYIMT-GOSISDBHSA-N 1 1 353.470 2.408 40 0 FEABMO COc1ccc(CN2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000072227052 541796931 /nfs/dbraw/zinc/79/69/31/541796931.db2.gz KJJDYJHIWZQYRS-RBUKOAKNSA-N 1 1 372.421 2.132 40 0 FEABMO Cn1ccnc1C(=O)N1CC[N@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355222 541801489 /nfs/dbraw/zinc/80/14/89/541801489.db2.gz LPJYVWFLZDIRFN-QGZVFWFLSA-N 1 1 367.497 2.374 40 0 FEABMO C[N@@H+]1CCc2nnc([C@@H]3CCCN(C(=O)CC4CCCCC4)C3)n2CC1 ZINC000072370910 541801887 /nfs/dbraw/zinc/80/18/87/541801887.db2.gz XHJNFGYNUCKHMU-QGZVFWFLSA-N 1 1 359.518 2.442 40 0 FEABMO CC(=O)Nc1ccc(Oc2cncc([C@@H]3CCC[N@@H+](CCO)C3)n2)cc1 ZINC000072361637 541801984 /nfs/dbraw/zinc/80/19/84/541801984.db2.gz RZDWFPZFFVTYRB-OAHLLOKOSA-N 1 1 356.426 2.399 40 0 FEABMO CC(C)[C@@H](CNC(=O)c1ccc2c(c1)ncn2C1CC1)[NH+]1CCOCC1 ZINC000019714280 211247856 /nfs/dbraw/zinc/24/78/56/211247856.db2.gz VNLNKBIGJLMQDI-LJQANCHMSA-N 1 1 356.470 2.458 40 0 FEABMO CC(=O)N1CCc2nnc([C@H]3CCC[N@H+]3CCc3ccccc3)n2CC1 ZINC000019710745 211246391 /nfs/dbraw/zinc/24/63/91/211246391.db2.gz HWGITLNXSXFBKW-GOSISDBHSA-N 1 1 353.470 2.062 40 0 FEABMO COc1cccc(OC[C@H]2CCC[N@H+](CC(=O)Nc3cc(C)n(C)n3)C2)c1 ZINC000019658765 211243479 /nfs/dbraw/zinc/24/34/79/211243479.db2.gz YPSJSKXSNMWCEH-INIZCTEOSA-N 1 1 372.469 2.467 40 0 FEABMO COc1cccc(OC[C@H]2CCC[N@@H+](CC(=O)Nc3cc(C)n(C)n3)C2)c1 ZINC000019658765 211243484 /nfs/dbraw/zinc/24/34/84/211243484.db2.gz YPSJSKXSNMWCEH-INIZCTEOSA-N 1 1 372.469 2.467 40 0 FEABMO COc1ccccc1O[C@H](C)C(=O)N1CCC(O)(Cn2cc[nH+]c2C)CC1 ZINC000019287791 211212103 /nfs/dbraw/zinc/21/21/03/211212103.db2.gz AUKDTOLHUCAYRB-OAHLLOKOSA-N 1 1 373.453 2.021 40 0 FEABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCN(CCOC(C)C)CC1 ZINC000019288230 211211731 /nfs/dbraw/zinc/21/17/31/211211731.db2.gz ORVDWOPGZQRQIT-UHFFFAOYSA-N 1 1 370.497 2.423 40 0 FEABMO COc1ccc([C@@H]2[C@@H]3CCC[C@H]3[C@H]2[NH2+]Cc2c(O)nc(C)[nH]c2=O)cc1 ZINC000019240590 211211151 /nfs/dbraw/zinc/21/11/51/211211151.db2.gz UURDELLDFCUTPC-JOCBIADPSA-N 1 1 355.438 2.464 40 0 FEABMO Cc1cccc(C[N@H+]2CC=CC[C@@]3(C(=O)N4CCN(C)CC4)CCC[C@@H]23)n1 ZINC000019236129 211209697 /nfs/dbraw/zinc/20/96/97/211209697.db2.gz CAEMPBGHIGSFLJ-IFMALSPDSA-N 1 1 368.525 2.465 40 0 FEABMO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1CO ZINC000019291372 211212733 /nfs/dbraw/zinc/21/27/33/211212733.db2.gz HKHAUOIDMQHNGH-HTZLVSCSSA-N 1 1 371.481 2.041 40 0 FEABMO CC(=O)NCCn1nc([C@@H]2CC[N@H+](C3CCCCC3)C2)c2nccnc21 ZINC000019021523 211200556 /nfs/dbraw/zinc/20/05/56/211200556.db2.gz KERVPYRTLUWTHF-OAHLLOKOSA-N 1 1 356.474 2.084 40 0 FEABMO Cc1c(Cl)cccc1N1C(=O)C[C@@H]([NH+]2CCC3(CC2)OCCO3)C1=O ZINC000013636724 211044858 /nfs/dbraw/zinc/04/48/58/211044858.db2.gz BIDSUTJVVLGBAM-OAHLLOKOSA-N 1 1 364.829 2.119 40 0 FEABMO C[NH+]1CCN([C@H](c2nnnn2C(C)(C)C)c2ccc3ncccc3c2)CC1 ZINC000020098542 220312874 /nfs/dbraw/zinc/31/28/74/220312874.db2.gz HTFRRZILHFSYGV-SFHVURJKSA-N 1 1 365.485 2.313 40 0 FEABMO C[NH+]1CCN([C@@H](c2nnnn2C(C)(C)C)c2ccc3ncccc3c2)CC1 ZINC000020098544 220313481 /nfs/dbraw/zinc/31/34/81/220313481.db2.gz HTFRRZILHFSYGV-GOSISDBHSA-N 1 1 365.485 2.313 40 0 FEABMO COC(=O)c1ccc2c(c1)CCN(c1cc[nH+]c(N[C@@H](CO)C(C)C)n1)C2 ZINC000328963823 132371754 /nfs/dbraw/zinc/37/17/54/132371754.db2.gz BRSNASAFZMIMMY-KRWDZBQOSA-N 1 1 370.453 2.255 40 0 FEABMO Cn1nccc1C[N@H+]1CCC[C@]2(CCN(CC3CCOCC3)C2=O)CC1 ZINC000108525070 543292533 /nfs/dbraw/zinc/29/25/33/543292533.db2.gz JGOSBOSKOZGXLR-HXUWFJFHSA-N 1 1 360.502 2.051 40 0 FEABMO O=C(NCc1cn2ccccc2n1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000127970253 544024315 /nfs/dbraw/zinc/02/43/15/544024315.db2.gz OGQJLVLTOAQTRO-CRAIPNDOSA-N 1 1 353.470 2.493 40 0 FEABMO Fc1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(Cc2cn[nH]n2)C3)cc1 ZINC000096049506 222000452 /nfs/dbraw/zinc/00/04/52/222000452.db2.gz WBLMMAMIMMZBIJ-IBGZPJMESA-N 1 1 359.449 2.058 40 0 FEABMO Fc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(Cc2c[nH]nn2)C3)cc1 ZINC000096049506 222000455 /nfs/dbraw/zinc/00/04/55/222000455.db2.gz WBLMMAMIMMZBIJ-IBGZPJMESA-N 1 1 359.449 2.058 40 0 FEABMO Fc1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(Cc2c[nH]nn2)C3)cc1 ZINC000096049506 222000460 /nfs/dbraw/zinc/00/04/60/222000460.db2.gz WBLMMAMIMMZBIJ-IBGZPJMESA-N 1 1 359.449 2.058 40 0 FEABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(Cc2cn[nH]n2)C3)s1 ZINC000096049504 222001765 /nfs/dbraw/zinc/00/17/65/222001765.db2.gz PHKWJDLKYVQPOK-SFHVURJKSA-N 1 1 361.515 2.289 40 0 FEABMO Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(Cc2c[nH]nn2)C3)s1 ZINC000096049504 222001769 /nfs/dbraw/zinc/00/17/69/222001769.db2.gz PHKWJDLKYVQPOK-SFHVURJKSA-N 1 1 361.515 2.289 40 0 FEABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(Cc2c[nH]nn2)C3)s1 ZINC000096049504 222001772 /nfs/dbraw/zinc/00/17/72/222001772.db2.gz PHKWJDLKYVQPOK-SFHVURJKSA-N 1 1 361.515 2.289 40 0 FEABMO Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccno4)[C@H]3C2)s1 ZINC000096056287 222005888 /nfs/dbraw/zinc/00/58/88/222005888.db2.gz IACVTOQLSLRTFY-JLJPHGGASA-N 1 1 361.467 2.311 40 0 FEABMO CN(C)C(=O)COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccsc1)C2 ZINC000096056954 222005975 /nfs/dbraw/zinc/00/59/75/222005975.db2.gz ANLKBCPSDAQKCA-SJLPKXTDSA-N 1 1 352.500 2.224 40 0 FEABMO COc1cccc(C[N@H+]2CC[C@@]3(C2)COCc2cnc(N(C)C)nc23)c1 ZINC000096244008 222099307 /nfs/dbraw/zinc/09/93/07/222099307.db2.gz QEKWDKKNADOBQN-HXUWFJFHSA-N 1 1 354.454 2.225 40 0 FEABMO COc1ccc(-c2cnc3n2CC[NH2+]C32CCN(C(=O)N(C)C)CC2)cc1 ZINC000096263380 222104617 /nfs/dbraw/zinc/10/46/17/222104617.db2.gz BGHXVMLMVHBLQF-UHFFFAOYSA-N 1 1 369.469 2.135 40 0 FEABMO COc1ncccc1C[N@H+]1CC[C@]2(C1)C[C@H](Nc1ncccn1)CCO2 ZINC000096205972 222076163 /nfs/dbraw/zinc/07/61/63/222076163.db2.gz BHZOEJJCNKBDSR-VQIMIIECSA-N 1 1 355.442 2.116 40 0 FEABMO CC[NH+]1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000096301208 222113155 /nfs/dbraw/zinc/11/31/55/222113155.db2.gz VIAIENBZXBYWNZ-AWEZNQCLSA-N 1 1 356.253 2.263 40 0 FEABMO O=C(N[C@H]1CCO[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1)c1ccncc1 ZINC000096209240 222078030 /nfs/dbraw/zinc/07/80/30/222078030.db2.gz QAUSUTRNKHKXNH-FXAWDEMLSA-N 1 1 352.438 2.030 40 0 FEABMO CO[C@H]1CCN(C(=O)c2ccoc2C)[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000096209024 222078133 /nfs/dbraw/zinc/07/81/33/222078133.db2.gz OSCKQEUHDVVKDX-OTWHNJEPSA-N 1 1 355.438 2.345 40 0 FEABMO O=C([C@@H]1CCOC1)N1CC[C@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216470 222081850 /nfs/dbraw/zinc/08/18/50/222081850.db2.gz XYGRHSGZEDFHEY-WIYYLYMNSA-N 1 1 358.482 2.416 40 0 FEABMO O=C(NC[C@H]1Cn2nccc2C[N@@H+](CC2CCOCC2)C1)c1ccsc1 ZINC000247501619 549346128 /nfs/dbraw/zinc/34/61/28/549346128.db2.gz QEFFCOUTEQOHSV-MRXNPFEDSA-N 1 1 374.510 2.233 40 0 FEABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccccc1OCc1ccccn1 ZINC000019575296 263374518 /nfs/dbraw/zinc/37/45/18/263374518.db2.gz GWESWVVAKDTQOU-NSISKUIASA-N 1 1 353.466 2.300 40 0 FEABMO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306129750 534383872 /nfs/dbraw/zinc/38/38/72/534383872.db2.gz ILQSNCWFNJGINY-IRXDYDNUSA-N 1 1 374.448 2.230 40 0 FEABMO NCC1(C[NH3+])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218057887 548683117 /nfs/dbraw/zinc/68/31/17/548683117.db2.gz LKQRYSGABRKABZ-HOTGVXAUSA-N 1 1 350.871 2.184 40 0 FEABMO COCC[N@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](C1CCOCC1)CC2 ZINC000247818510 549385444 /nfs/dbraw/zinc/38/54/44/549385444.db2.gz CGXPMETVSNJXOI-LJQANCHMSA-N 1 1 366.546 2.252 40 0 FEABMO COC[C@@H]1C[N@@H+](Cc2cccc(C)n2)CC12CCN(C(=O)C1CC1)CC2 ZINC000247866340 549387131 /nfs/dbraw/zinc/38/71/31/549387131.db2.gz ITFGUXTUGAKHRV-SFHVURJKSA-N 1 1 357.498 2.487 40 0 FEABMO CCOCC(=O)N1CCC2(C[N@@H+](Cc3ccsc3)C[C@H]2COC)CC1 ZINC000247909508 549390588 /nfs/dbraw/zinc/39/05/88/549390588.db2.gz YBXMTGKOSOTWJI-KRWDZBQOSA-N 1 1 366.527 2.472 40 0 FEABMO Cn1cnc2c1[C@@H](C(=O)NCc1cccs1)C[N@@H+](CC1CCOCC1)C2 ZINC000248052447 549403427 /nfs/dbraw/zinc/40/34/27/549403427.db2.gz RQIGWPADNBPRPL-INIZCTEOSA-N 1 1 374.510 2.124 40 0 FEABMO C[C@@H]1c2nc(CC(=O)NCc3cccnc3)cn2CC[N@@H+]1C1CCCC1 ZINC000253590952 549695947 /nfs/dbraw/zinc/69/59/47/549695947.db2.gz HVOGJUQMSHOJPW-OAHLLOKOSA-N 1 1 353.470 2.456 40 0 FEABMO C[C@@H]1c2nc(CC(=O)NCc3cccnc3)cn2CC[N@H+]1C1CCCC1 ZINC000253590952 549695953 /nfs/dbraw/zinc/69/59/53/549695953.db2.gz HVOGJUQMSHOJPW-OAHLLOKOSA-N 1 1 353.470 2.456 40 0 FEABMO COCC(=O)NCC[C@H]1Cn2nccc2C[N@@H+](Cc2sccc2C)C1 ZINC000253599049 549697584 /nfs/dbraw/zinc/69/75/84/549697584.db2.gz KJNBDAXFEVVBGP-OAHLLOKOSA-N 1 1 362.499 2.038 40 0 FEABMO C[C@@H]1CN(c2nccc(C[N@H+]3CC[C@H](O)[C@@H]4CCCC[C@@H]43)n2)C[C@@H](C)O1 ZINC000253603373 549698475 /nfs/dbraw/zinc/69/84/75/549698475.db2.gz KJIXZEHJTYWXJD-LIEJCIORSA-N 1 1 360.502 2.216 40 0 FEABMO Cc1ncc(C(=O)N(C)C[C@H]2C[C@]3(C)[C@@H](CCCC[C@]3(C)O)[N@H+]2C)cn1 ZINC000257319640 549727827 /nfs/dbraw/zinc/72/78/27/549727827.db2.gz VTLCPYPSARTPID-LFGUQSLTSA-N 1 1 360.502 2.261 40 0 FEABMO CN(C)C(=O)C[C@H]1Cn2cccc2C[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000585099040 571221553 /nfs/dbraw/zinc/22/15/53/571221553.db2.gz FJXXOZHRVPMGEY-MRXNPFEDSA-N 1 1 355.438 2.327 40 0 FEABMO CN(C)C(=O)C[C@H]1Cn2cccc2C[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000585099040 571221554 /nfs/dbraw/zinc/22/15/54/571221554.db2.gz FJXXOZHRVPMGEY-MRXNPFEDSA-N 1 1 355.438 2.327 40 0 FEABMO O=C(C[C@@H]1Cn2cccc2C[N@@H+](CCc2ccccc2)C1)N1CCOCC1 ZINC000585099263 571221766 /nfs/dbraw/zinc/22/17/66/571221766.db2.gz ZLZCEZBDMCCMIG-FQEVSTJZSA-N 1 1 367.493 2.412 40 0 FEABMO O=C(c1ccnc(F)c1)N1CC[N@H+]2C[C@H](OCc3ccccc3F)C[C@H]2C1 ZINC000585108026 571225226 /nfs/dbraw/zinc/22/52/26/571225226.db2.gz XADBGBAILZOIQG-DLBZAZTESA-N 1 1 373.403 2.475 40 0 FEABMO COc1ccc(-c2cnc3n2CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC3)cc1 ZINC000585111264 571226700 /nfs/dbraw/zinc/22/67/00/571226700.db2.gz LUILBDXFCAPFND-GOSISDBHSA-N 1 1 368.481 2.428 40 0 FEABMO CCc1[nH+]ccn1CCC(=O)NCc1cnc([C@]2(C)CCCCO2)nc1 ZINC000257221149 529759768 /nfs/dbraw/zinc/75/97/68/529759768.db2.gz DNRRFXZIZJDTLP-IBGZPJMESA-N 1 1 357.458 2.358 40 0 FEABMO CNC(=O)c1cnn2c1nccc2[C@@H]1CCC[N@@H+](Cc2scnc2C)C1 ZINC000257250562 529953833 /nfs/dbraw/zinc/95/38/33/529953833.db2.gz JNAGDUHYAHBLIU-CYBMUJFWSA-N 1 1 370.482 2.233 40 0 FEABMO CN1CCN(C(=O)[C@]23CCC[C@H]2[N@@H+](Cc2cccnc2)CC=CC3)CC1 ZINC000012135529 539545628 /nfs/dbraw/zinc/54/56/28/539545628.db2.gz ULJZTOGVUYCVKC-TZIWHRDSSA-N 1 1 354.498 2.156 40 0 FEABMO Cc1cc(-c2cncnc2[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)on1 ZINC000012118369 539544677 /nfs/dbraw/zinc/54/46/77/539544677.db2.gz RBCALXXSVZGVLR-OAHLLOKOSA-N 1 1 355.442 2.242 40 0 FEABMO Cc1cc(-c2cncnc2[C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)on1 ZINC000012118369 539544678 /nfs/dbraw/zinc/54/46/78/539544678.db2.gz RBCALXXSVZGVLR-OAHLLOKOSA-N 1 1 355.442 2.242 40 0 FEABMO CC(C)NC(=O)C[NH+]1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 ZINC000012184733 539548379 /nfs/dbraw/zinc/54/83/79/539548379.db2.gz KYKRKWSWEJOAKX-UHFFFAOYSA-N 1 1 351.834 2.409 40 0 FEABMO CC(C)[N@H+]1CCC[C@H](CNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000012199574 539549429 /nfs/dbraw/zinc/54/94/29/539549429.db2.gz SUQBEFCQHMCGDR-CYBMUJFWSA-N 1 1 365.861 2.485 40 0 FEABMO C[N@@H+]1CC[C@@H](COCc2ccncc2)CC12CN(C(=O)C1(F)CCC1)C2 ZINC000306130872 210051271 /nfs/dbraw/zinc/05/12/71/210051271.db2.gz JROWWQQTWLJABL-QGZVFWFLSA-N 1 1 361.461 2.413 40 0 FEABMO C[N@H+]1CC[C@@H](COCc2ccncc2)CC12CN(C(=O)C1(F)CCC1)C2 ZINC000306130872 210051275 /nfs/dbraw/zinc/05/12/75/210051275.db2.gz JROWWQQTWLJABL-QGZVFWFLSA-N 1 1 361.461 2.413 40 0 FEABMO O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306124365 210048113 /nfs/dbraw/zinc/04/81/13/210048113.db2.gz BNPLARKLEQLRQW-KBPBESRZSA-N 1 1 371.872 2.128 40 0 FEABMO Cn1cc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cn1 ZINC000306123661 210048593 /nfs/dbraw/zinc/04/85/93/210048593.db2.gz ATHBYGPGNSNRLD-KRWDZBQOSA-N 1 1 365.485 2.443 40 0 FEABMO COc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3cncnc3N)no2)cc1 ZINC000035425964 539982580 /nfs/dbraw/zinc/98/25/80/539982580.db2.gz WSBNUOVGHXYMBY-HNNXBMFYSA-N 1 1 352.398 2.455 40 0 biogenic,in-vitro FEABMO COc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3cncnc3N)no2)cc1 ZINC000035425964 539982584 /nfs/dbraw/zinc/98/25/84/539982584.db2.gz WSBNUOVGHXYMBY-HNNXBMFYSA-N 1 1 352.398 2.455 40 0 biogenic,in-vitro FEABMO C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1 ZINC000036741223 539993820 /nfs/dbraw/zinc/99/38/20/539993820.db2.gz HSRVVQUOOKUHQL-KDOFPFPSSA-N 1 1 352.500 2.164 40 0 FEABMO [NH3+][C@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=CCS[C@H]12 ZINC000038339221 539998453 /nfs/dbraw/zinc/99/84/53/539998453.db2.gz NYYBPASOTOAXQW-QFBILLFUSA-N 1 1 366.442 2.446 40 0 FEABMO Cn1ccnc1C[N@@H+]1CCC[C@H](c2cnc(Nc3ncccn3)cn2)C1 ZINC000257223182 223026936 /nfs/dbraw/zinc/02/69/36/223026936.db2.gz DWHAEZMZXWSNNQ-AWEZNQCLSA-N 1 1 350.430 2.123 40 0 FEABMO Cn1ccnc1C[N@H+]1CCC[C@H](c2cnc(Nc3ncccn3)cn2)C1 ZINC000257223182 223026938 /nfs/dbraw/zinc/02/69/38/223026938.db2.gz DWHAEZMZXWSNNQ-AWEZNQCLSA-N 1 1 350.430 2.123 40 0 FEABMO Cc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000047266693 540300402 /nfs/dbraw/zinc/30/04/02/540300402.db2.gz CKOYYYORMXDZFI-UHFFFAOYSA-N 1 1 360.479 2.306 40 0 FEABMO Cn1c2ccc(NC(=O)C[NH+]3CCC4(COC(C)(C)C4)CC3)cc2oc1=O ZINC000257302712 223057991 /nfs/dbraw/zinc/05/79/91/223057991.db2.gz SDZFEKNWKBOUFY-UHFFFAOYSA-N 1 1 373.453 2.351 40 0 FEABMO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373087 541801989 /nfs/dbraw/zinc/80/19/89/541801989.db2.gz GBBQIRFNKIROLS-SJORKVTESA-N 1 1 372.513 2.018 40 0 FEABMO CC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[N@H+]2CCC[C@H](CO)C2)C1 ZINC000072395272 541803905 /nfs/dbraw/zinc/80/39/05/541803905.db2.gz YMXXAECNNWJCNA-IRXDYDNUSA-N 1 1 370.497 2.493 40 0 FEABMO Cc1cccc(Nc2cc([C@@H]3CCC[N@@H+](CC(=O)N(C)C)C3)nc(C)n2)n1 ZINC000072382735 541803356 /nfs/dbraw/zinc/80/33/56/541803356.db2.gz VFSZLIJEKNLCEC-MRXNPFEDSA-N 1 1 368.485 2.500 40 0 FEABMO Cc1cccc(Nc2cc([C@@H]3CCC[N@H+](CC(=O)N(C)C)C3)nc(C)n2)n1 ZINC000072382735 541803362 /nfs/dbraw/zinc/80/33/62/541803362.db2.gz VFSZLIJEKNLCEC-MRXNPFEDSA-N 1 1 368.485 2.500 40 0 FEABMO C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3n[nH]c4c3CCCC4)ncc2C1 ZINC000019590532 211240175 /nfs/dbraw/zinc/24/01/75/211240175.db2.gz SPJKPCBNAUJQIL-KRWDZBQOSA-N 1 1 366.469 2.044 40 0 FEABMO COC(=O)c1ccc2c(c1)nc1n(c2=O)CC[N@@H+](Cc2ccccc2)CC1 ZINC000019592551 211239562 /nfs/dbraw/zinc/23/95/62/211239562.db2.gz BWAYWSFXKUAHHT-UHFFFAOYSA-N 1 1 363.417 2.241 40 0 FEABMO Cc1noc(C)c1C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019579994 211239153 /nfs/dbraw/zinc/23/91/53/211239153.db2.gz CWFNOJGUZQFMJW-CQSZACIVSA-N 1 1 355.442 2.089 40 0 FEABMO Cn1cc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C)C2)cn1 ZINC000019715504 211249033 /nfs/dbraw/zinc/24/90/33/211249033.db2.gz VMHCUJSHAOYBSD-AWEZNQCLSA-N 1 1 352.442 2.125 40 0 FEABMO Cn1cc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4n3C)C2)cn1 ZINC000019715504 211249036 /nfs/dbraw/zinc/24/90/36/211249036.db2.gz VMHCUJSHAOYBSD-AWEZNQCLSA-N 1 1 352.442 2.125 40 0 FEABMO Cn1ccc(NC(=O)C[N@H+]2CCC[C@@H](Cc3nc4cc(F)ccc4[nH]3)C2)n1 ZINC000019715564 211248769 /nfs/dbraw/zinc/24/87/69/211248769.db2.gz KCLSILUWRMHGCY-ZDUSSCGKSA-N 1 1 370.432 2.329 40 0 FEABMO Cc1nn(C)cc1NC(=O)C[N@@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019658846 211243310 /nfs/dbraw/zinc/24/33/10/211243310.db2.gz VJPLICJDELUUEJ-OAHLLOKOSA-N 1 1 366.469 2.498 40 0 FEABMO Cc1nn(C)cc1NC(=O)C[N@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019658846 211243316 /nfs/dbraw/zinc/24/33/16/211243316.db2.gz VJPLICJDELUUEJ-OAHLLOKOSA-N 1 1 366.469 2.498 40 0 FEABMO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)no1)N1CCC(O)CC1 ZINC000019401652 211222205 /nfs/dbraw/zinc/22/22/05/211222205.db2.gz LZOFNGXTHNDYHV-OAHLLOKOSA-N 1 1 370.453 2.046 40 0 FEABMO Cc1nn(C[C@H](C)C(=O)N2CC[NH+](CCOC(C)C)CC2)c(C)c1Cl ZINC000019578156 211234740 /nfs/dbraw/zinc/23/47/40/211234740.db2.gz FYSLZKNIQDMOMT-AWEZNQCLSA-N 1 1 370.925 2.359 40 0 FEABMO CC[N@@H+]1CCC[C@@H]1CNCc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12 ZINC000019527239 211228784 /nfs/dbraw/zinc/22/87/84/211228784.db2.gz GFMVUCUSHZBMLJ-QGZVFWFLSA-N 1 1 367.497 2.377 40 0 FEABMO CC[N@H+]1CCC[C@@H]1CNCc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12 ZINC000019527239 211228789 /nfs/dbraw/zinc/22/87/89/211228789.db2.gz GFMVUCUSHZBMLJ-QGZVFWFLSA-N 1 1 367.497 2.377 40 0 FEABMO CCc1ncc(CN2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)cn1 ZINC000019523360 211228406 /nfs/dbraw/zinc/22/84/06/211228406.db2.gz BNKQQAMODIHDIU-UHFFFAOYSA-N 1 1 352.486 2.197 40 0 FEABMO Cc1nccc(-c2cccc(-c3noc(CN4CC[NH+](C)CC4)n3)c2)n1 ZINC000019287603 211212092 /nfs/dbraw/zinc/21/20/92/211212092.db2.gz RXXIZIRXBWZDHT-UHFFFAOYSA-N 1 1 350.426 2.249 40 0 FEABMO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@@H+](Cc1cc(F)ccc1F)CC2 ZINC000019293050 211213759 /nfs/dbraw/zinc/21/37/59/211213759.db2.gz BZIWTXJJZHHOPE-UHFFFAOYSA-N 1 1 369.375 2.106 40 0 FEABMO C[NH+]1CCN([C@@H](c2nnnn2Cc2cccs2)c2ccccc2)CC1 ZINC000020141831 220316253 /nfs/dbraw/zinc/31/62/53/220316253.db2.gz IPUZWWUITFBFJF-QGZVFWFLSA-N 1 1 354.483 2.120 40 0 FEABMO 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AKOUPXIHQDLUSE-HXUWFJFHSA-N 1 1 353.422 2.119 40 0 FEABMO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CC[N@@H+](Cc1cccnc1)C2 ZINC000096238043 132223636 /nfs/dbraw/zinc/22/36/36/132223636.db2.gz NAZVJSLTTPJBIC-HXUWFJFHSA-N 1 1 354.429 2.144 40 0 FEABMO Cc1cc(C)cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2ccnc(N(C)C)n2)c1 ZINC000096248873 132224188 /nfs/dbraw/zinc/22/41/88/132224188.db2.gz HIFTUFZMBOSJAA-MOPGFXCFSA-N 1 1 367.497 2.249 40 0 FEABMO O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3cccs3)C[C@H]2O1 ZINC000096043079 542988232 /nfs/dbraw/zinc/98/82/32/542988232.db2.gz KAVQVIZSVGXKCO-JCGIZDLHSA-N 1 1 357.479 2.439 40 0 FEABMO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC(=O)N(C)C)C2)o1 ZINC000096039763 542988669 /nfs/dbraw/zinc/98/86/69/542988669.db2.gz VFEKKIMUKKVBCV-PKOBYXMFSA-N 1 1 350.459 2.064 40 0 FEABMO Fc1cnc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)nc1 ZINC000096048531 542988837 /nfs/dbraw/zinc/98/88/37/542988837.db2.gz OBMSIIRJZUVDBG-FUHWJXTLSA-N 1 1 350.438 2.078 40 0 FEABMO COc1ccc(C[N@H+]2CC[C@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cc1 ZINC000096047570 542989463 /nfs/dbraw/zinc/98/94/63/542989463.db2.gz GQGJJUPTGWJLGK-LPHOPBHVSA-N 1 1 358.417 2.470 40 0 FEABMO CN(C)C(=O)[C@@H]1C[C@H]2OCC[C@H]2[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000107710866 543276702 /nfs/dbraw/zinc/27/67/02/543276702.db2.gz ZKESXOIOSVQTTE-KBRIMQKVSA-N 1 1 352.862 2.286 40 0 FEABMO Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3OCCN(C(=O)c4cnccn4)[C@H]3C2)c1 ZINC000108528684 543292517 /nfs/dbraw/zinc/29/25/17/543292517.db2.gz VKUFBLSGEVPOIF-OALUTQOASA-N 1 1 370.428 2.040 40 0 FEABMO Cc1ccc(F)c(C[N@H+]2CC[C@@H]3OCCN(C(=O)c4cnccn4)[C@H]3C2)c1 ZINC000108528684 543292518 /nfs/dbraw/zinc/29/25/18/543292518.db2.gz VKUFBLSGEVPOIF-OALUTQOASA-N 1 1 370.428 2.040 40 0 FEABMO Cn1nccc1C[N@H+]1CC[C@]2(CCC[C@H]2C(=O)NC2CC(F)(F)C2)C1 ZINC000108532880 543293064 /nfs/dbraw/zinc/29/30/64/543293064.db2.gz PAAPQWNEJHDVMJ-DOTOQJQBSA-N 1 1 352.429 2.326 40 0 FEABMO Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)s1 ZINC000096052360 222003173 /nfs/dbraw/zinc/00/31/73/222003173.db2.gz XTNFVQYXNLFNER-IEBWSBKVSA-N 1 1 366.527 2.139 40 0 FEABMO COc1cccc(CNC(=O)c2ccc3nnc([C@H]4CC[N@@H+](C)C4)n3c2)c1 ZINC000096267434 222107848 /nfs/dbraw/zinc/10/78/48/222107848.db2.gz JFEGFHVSQYAESN-HNNXBMFYSA-N 1 1 365.437 2.087 40 0 FEABMO Cc1ccsc1C[N@H+]1CC[C@@]2(C1)CCC[C@@H](CNS(C)(=O)=O)O2 ZINC000096207335 222076009 /nfs/dbraw/zinc/07/60/09/222076009.db2.gz IVIZPLLJEWTIDZ-GOEBONIOSA-N 1 1 358.529 2.119 40 0 FEABMO O=C1NC[C@@H](COc2cccnc2)[C@]12CC[N@H+](Cc1cccc(F)c1)C2 ZINC000096218567 222083677 /nfs/dbraw/zinc/08/36/77/222083677.db2.gz ODNZFMMQNZRVJR-OXJNMPFZSA-N 1 1 355.413 2.238 40 0 FEABMO CC[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3nn(C)c4ccccc43)C2)C1 ZINC000096228869 222089199 /nfs/dbraw/zinc/08/91/99/222089199.db2.gz DLDLQCNYICXOBE-FQEVSTJZSA-N 1 1 356.470 2.148 40 0 FEABMO CN1CCN(Cc2cccnc2)[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1=O ZINC000096229605 222090717 /nfs/dbraw/zinc/09/07/17/222090717.db2.gz UTKVTQWUSKNFKT-LJQANCHMSA-N 1 1 356.495 2.062 40 0 FEABMO CN1CC[N@H+](Cc2ccccc2)C2(CCN(C(=O)c3ccco3)CC2)C1=O ZINC000096230318 222091844 /nfs/dbraw/zinc/09/18/44/222091844.db2.gz IQERMLDXBGAXPD-UHFFFAOYSA-N 1 1 367.449 2.229 40 0 FEABMO CN1CC[N@@H+](Cc2ccccc2)C2(CCN(C(=O)c3ccco3)CC2)C1=O ZINC000096230318 222091847 /nfs/dbraw/zinc/09/18/47/222091847.db2.gz IQERMLDXBGAXPD-UHFFFAOYSA-N 1 1 367.449 2.229 40 0 FEABMO CC(=O)Nc1cc(C(=O)N[C@H]2CCCN(c3cccc(C)[nH+]3)C2)ccn1 ZINC000257263312 534691125 /nfs/dbraw/zinc/69/11/25/534691125.db2.gz LPHCLCDHAWXIMJ-INIZCTEOSA-N 1 1 353.426 2.142 40 0 FEABMO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CC[N@@H+](CC1CC1)C2 ZINC000257250147 526908650 /nfs/dbraw/zinc/90/86/50/526908650.db2.gz JLFQMMSNTQZITL-NJDAHSKKSA-N 1 1 355.482 2.197 40 0 FEABMO CCN1C(=O)CC[C@@H](C(=O)N2CCC[N@@H+](C)CC2)[C@@H]1c1ccc(C)cc1 ZINC000257254941 528946920 /nfs/dbraw/zinc/94/69/20/528946920.db2.gz KFJVDEDQOIUXLL-QUCCMNQESA-N 1 1 357.498 2.459 40 0 FEABMO C[N@@H+](CCC(=O)N[C@@H]1CCCN(c2ccccn2)C1)Cc1cccnc1 ZINC000257242665 536305855 /nfs/dbraw/zinc/30/58/55/536305855.db2.gz IDOSPNAPOWODTH-GOSISDBHSA-N 1 1 353.470 2.084 40 0 FEABMO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C2(CN)C[NH3+])cc1 ZINC000218393045 548686560 /nfs/dbraw/zinc/68/65/60/548686560.db2.gz TWABFINPXPMDFF-IAGOWNOFSA-N 1 1 364.898 2.492 40 0 FEABMO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](CCOCC(=O)N(C)C)CCO3)cc1 ZINC000247991321 549398911 /nfs/dbraw/zinc/39/89/11/549398911.db2.gz LMPGPDFPMIPPOZ-SFHVURJKSA-N 1 1 360.498 2.471 40 0 FEABMO C[N@@H+]1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1ccncc1)C2 ZINC000248087365 549405879 /nfs/dbraw/zinc/40/58/79/549405879.db2.gz BMPFWCVFTRCHEW-INIZCTEOSA-N 1 1 352.438 2.092 40 0 FEABMO C[N@H+]1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1ccncc1)C2 ZINC000248087365 549405881 /nfs/dbraw/zinc/40/58/81/549405881.db2.gz BMPFWCVFTRCHEW-INIZCTEOSA-N 1 1 352.438 2.092 40 0 FEABMO Cc1ccc(C[NH+]2CC3(C2)OCC[C@H]3CCNC(=O)c2nccn2C)s1 ZINC000248117787 549407131 /nfs/dbraw/zinc/40/71/31/549407131.db2.gz JCUQQTJPDSCRIC-OAHLLOKOSA-N 1 1 374.510 2.201 40 0 FEABMO Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@@H](CN4CCOCC4)O3)C2)s1 ZINC000248128711 549409166 /nfs/dbraw/zinc/40/91/66/549409166.db2.gz XTNFVQYXNLFNER-HKUYNNGSSA-N 1 1 366.527 2.139 40 0 FEABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)COc3ccccc3OC)C2)C1 ZINC000248151299 549411526 /nfs/dbraw/zinc/41/15/26/549411526.db2.gz UEOJLCZTDXXXBA-MRXNPFEDSA-N 1 1 362.470 2.033 40 0 FEABMO Cc1ccc(C[N@@H+]2C[C@H]3OC[C@@H](CNC(=O)c4cccn4C)[C@H]3C2)s1 ZINC000248157347 549411885 /nfs/dbraw/zinc/41/18/85/549411885.db2.gz WBJDEQULGOTBSA-QGPMSJSTSA-N 1 1 359.495 2.272 40 0 FEABMO CC(=O)NCCn1nc([C@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)c2nccnc21 ZINC000257239297 549720597 /nfs/dbraw/zinc/72/05/97/549720597.db2.gz HORUMCVFBISZSI-SJORKVTESA-N 1 1 368.485 2.108 40 0 FEABMO CC[N@@H+](C[C@]1(O)CN(C(=O)CCc2ccccc2)C[C@H]1O)C1CCCCC1 ZINC000585291107 570496589 /nfs/dbraw/zinc/49/65/89/570496589.db2.gz KMEKAFWNHYLKDC-IRLDBZIGSA-N 1 1 374.525 2.208 40 0 FEABMO O=C(C[N@@H+]1CC[C@]12CCCN(C(=O)CCc1ccccc1)C2)N1CCCC1 ZINC000585102133 571222400 /nfs/dbraw/zinc/22/24/00/571222400.db2.gz SUHZYFAQLNGUNZ-QFIPXVFZSA-N 1 1 369.509 2.309 40 0 FEABMO O=C(C[N@H+]1CC[C@]12CCCN(C(=O)CCc1ccccc1)C2)N1CCCC1 ZINC000585102133 571222403 /nfs/dbraw/zinc/22/24/03/571222403.db2.gz SUHZYFAQLNGUNZ-QFIPXVFZSA-N 1 1 369.509 2.309 40 0 FEABMO CCOCC(=O)N1CCC2(C[N@@H+](Cc3cccs3)C[C@@H]2COC)CC1 ZINC000585103873 571222611 /nfs/dbraw/zinc/22/26/11/571222611.db2.gz SLXFFNOXBCHVRX-MRXNPFEDSA-N 1 1 366.527 2.472 40 0 FEABMO COCC[N@H+]1C[C@@H](COC)C2(C1)CCN(C(=O)c1ccccc1F)CC2 ZINC000585103864 571222744 /nfs/dbraw/zinc/22/27/44/571222744.db2.gz SKTBPRIWOYXQGR-INIZCTEOSA-N 1 1 364.461 2.273 40 0 FEABMO COCC[N@H+]1C[C@@H](COC)C2(C1)CCN(C(=O)Cc1ccccc1C)CC2 ZINC000585102999 571223238 /nfs/dbraw/zinc/22/32/38/571223238.db2.gz KODZOORULRFYTD-FQEVSTJZSA-N 1 1 374.525 2.371 40 0 FEABMO CCS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3cc(C)cc(C)c3)C2)OC1 ZINC000585105366 571223787 /nfs/dbraw/zinc/22/37/87/571223787.db2.gz VFBSWORHAFXDDF-KRWDZBQOSA-N 1 1 366.527 2.224 40 0 FEABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccccc2)CC1 ZINC000585106149 571224691 /nfs/dbraw/zinc/22/46/91/571224691.db2.gz RZXSKTZWAFZPFN-UHOSZYNNSA-N 1 1 369.509 2.385 40 0 FEABMO Cn1ccnc1C[N@@H+]1CC[C@H](c2ccnc(Nc3cc(F)ccn3)n2)C1 ZINC000585177162 571237894 /nfs/dbraw/zinc/23/78/94/571237894.db2.gz KCSZPUFMOVRWCR-ZDUSSCGKSA-N 1 1 353.405 2.477 40 0 FEABMO Cn1ccnc1C[N@H+]1CC[C@H](c2ccnc(Nc3cc(F)ccn3)n2)C1 ZINC000585177162 571237896 /nfs/dbraw/zinc/23/78/96/571237896.db2.gz KCSZPUFMOVRWCR-ZDUSSCGKSA-N 1 1 353.405 2.477 40 0 FEABMO CN(C)c1nc([C@@H]2CCC[N@@H+](CC3(O)CCOCC3)C2)cn2cccc12 ZINC000257307998 529804492 /nfs/dbraw/zinc/80/44/92/529804492.db2.gz TVAPGJVCMBXQMG-MRXNPFEDSA-N 1 1 358.486 2.121 40 0 FEABMO COc1ccccc1C1(NC(C)=O)CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000004981569 539398315 /nfs/dbraw/zinc/39/83/15/539398315.db2.gz XYIIITHEVQKPRC-UHFFFAOYSA-N 1 1 361.486 2.037 40 0 FEABMO CCc1c(C)sc2ncn(C3CC[NH+](CC(=O)NC4CC4)CC3)c(=O)c12 ZINC000012145456 539547100 /nfs/dbraw/zinc/54/71/00/539547100.db2.gz DWPACPIONNFVEM-UHFFFAOYSA-N 1 1 374.510 2.244 40 0 FEABMO COc1ccc(C[N@H+]2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)cc1 ZINC000012328638 539555308 /nfs/dbraw/zinc/55/53/08/539555308.db2.gz NAARWHSQVGWYJT-MRXNPFEDSA-N 1 1 365.441 2.051 40 0 FEABMO O[C@H](C[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000019335401 539655264 /nfs/dbraw/zinc/65/52/64/539655264.db2.gz YMPDUNYOBVFIQS-GOSISDBHSA-N 1 1 358.413 2.453 40 0 FEABMO Cc1ncc(CNc2ccc(N3CC[NH+](CCO)CC3)c(Cl)c2)cn1 ZINC000019287295 539653990 /nfs/dbraw/zinc/65/39/90/539653990.db2.gz GJVISPMNUKTQRM-UHFFFAOYSA-N 1 1 361.877 2.165 40 0 FEABMO CC(=O)N1CCC[C@@H](c2nnc3n2CC[N@H+](Cc2cccc(F)c2)CC3)C1 ZINC000019709484 539666084 /nfs/dbraw/zinc/66/60/84/539666084.db2.gz JBPVSUAILVOQBN-QGZVFWFLSA-N 1 1 371.460 2.201 40 0 FEABMO C[N@H+]1CCCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC1 ZINC000000868290 219333140 /nfs/dbraw/zinc/33/31/40/219333140.db2.gz GDKJKVSXVSZTDH-SDXDJHTJSA-N 1 1 353.422 2.215 40 0 FEABMO O=C(NCCN1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000030944340 539894583 /nfs/dbraw/zinc/89/45/83/539894583.db2.gz NSPJBTQZJSTGNM-QGZVFWFLSA-N 1 1 365.905 2.000 40 0 FEABMO O=C(C[N@@H+]1CC[C@H](O)[C@@H](Oc2cccc(F)c2)CC1)N1CCCCC1 ZINC000257270109 223045051 /nfs/dbraw/zinc/04/50/51/223045051.db2.gz MSUZKMWURNBFAG-ROUUACIJSA-N 1 1 350.434 2.042 40 0 FEABMO C[NH+](C)Cc1cncc([C@@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)n1 ZINC000257295617 223055729 /nfs/dbraw/zinc/05/57/29/223055729.db2.gz QZEBHCZXWTUQQZ-SFHVURJKSA-N 1 1 350.426 2.392 40 0 FEABMO O=C(NC1CCC1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccccc3F)C[C@H]1C2 ZINC000306124409 223106668 /nfs/dbraw/zinc/10/66/68/223106668.db2.gz BPEYMVBNGMGNCZ-CABCVRRESA-N 1 1 369.444 2.004 40 0 FEABMO COc1cc(C[N@H+]2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)cc(OC)c1 ZINC000306142118 223113000 /nfs/dbraw/zinc/11/30/00/223113000.db2.gz WQDFTVFHPYANBS-KFKAGJAMSA-N 1 1 370.453 2.053 40 0 FEABMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](c2ccccc2C)C(C)C)CC1 ZINC000069923582 541724035 /nfs/dbraw/zinc/72/40/35/541724035.db2.gz LRVLKSPUGAFZLM-IBGZPJMESA-N 1 1 360.502 2.202 40 0 FEABMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2C)C(C)C)CC1 ZINC000069923581 541724237 /nfs/dbraw/zinc/72/42/37/541724237.db2.gz LRVLKSPUGAFZLM-LJQANCHMSA-N 1 1 360.502 2.202 40 0 FEABMO COc1cccc(CC(=O)N2CCCC[C@@H]2c2nnc3n2CC[N@H+](C)C3)c1 ZINC000072374039 541802719 /nfs/dbraw/zinc/80/27/19/541802719.db2.gz SVTQJMBHWFJKPF-QGZVFWFLSA-N 1 1 369.469 2.028 40 0 FEABMO CC(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCC[N@@H+](C)C4)ncc3C2)[nH]n1 ZINC000019451893 220258287 /nfs/dbraw/zinc/25/82/87/220258287.db2.gz XBYLRLJYUSDECW-CQSZACIVSA-N 1 1 368.485 2.331 40 0 FEABMO CC(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCC[N@H+](C)C4)ncc3C2)n[nH]1 ZINC000019451893 220258291 /nfs/dbraw/zinc/25/82/91/220258291.db2.gz XBYLRLJYUSDECW-CQSZACIVSA-N 1 1 368.485 2.331 40 0 FEABMO CC(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCC[N@@H+](C)C4)ncc3C2)n[nH]1 ZINC000019451893 220258295 /nfs/dbraw/zinc/25/82/95/220258295.db2.gz XBYLRLJYUSDECW-CQSZACIVSA-N 1 1 368.485 2.331 40 0 FEABMO CCc1ncc(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cn1 ZINC000019523389 220266838 /nfs/dbraw/zinc/26/68/38/220266838.db2.gz IDRMAVZIZRSQPF-OAHLLOKOSA-N 1 1 351.458 2.352 40 0 FEABMO O=C(C[N@H+]1CCC[C@H]1Cn1cccn1)Nc1ccccc1-n1ccnc1 ZINC000019658530 220282804 /nfs/dbraw/zinc/28/28/04/220282804.db2.gz SPTWTEBSOQDIEU-INIZCTEOSA-N 1 1 350.426 2.172 40 0 FEABMO Cc1cccc(N2CCC[C@H](NC(=O)c3cc4c([nH]c3=O)CCC4)C2)[nH+]1 ZINC000257200091 132294696 /nfs/dbraw/zinc/29/46/96/132294696.db2.gz ABYMKDKYOSLXRP-HNNXBMFYSA-N 1 1 352.438 2.378 40 0 FEABMO COCC[NH+]1CCN(c2ncc(-c3cc(C)no3)c(-c3ccco3)n2)CC1 ZINC000072338437 136144530 /nfs/dbraw/zinc/14/45/30/136144530.db2.gz NIFIZEDCDXQXBW-UHFFFAOYSA-N 1 1 369.425 2.468 40 0 FEABMO O=C(NCC1CCOCC1)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2O1 ZINC000096042719 542988301 /nfs/dbraw/zinc/98/83/01/542988301.db2.gz MWSUBNRODVMWIK-XUVXKRRUSA-N 1 1 358.482 2.209 40 0 FEABMO Cc1noc(C)c1C[N@@H+]1CC[C@H]2C[C@H](C(=O)NCc3ccco3)O[C@@H]2C1 ZINC000096042785 542988367 /nfs/dbraw/zinc/98/83/67/542988367.db2.gz PRXMKOPNJLGWSQ-BMGDILEWSA-N 1 1 359.426 2.180 40 0 FEABMO Cc1noc(C)c1C[N@H+]1CC[C@H]2C[C@H](C(=O)NCc3ccco3)O[C@@H]2C1 ZINC000096042785 542988370 /nfs/dbraw/zinc/98/83/70/542988370.db2.gz PRXMKOPNJLGWSQ-BMGDILEWSA-N 1 1 359.426 2.180 40 0 FEABMO CN1C[C@H](COCC2CC2)[C@H]2CC[N@@H+](Cc3ccncc3)CC[C@H]2C1=O ZINC000096041110 542988524 /nfs/dbraw/zinc/98/85/24/542988524.db2.gz IQRZJWPGGWIKLN-VAMGGRTRSA-N 1 1 357.498 2.425 40 0 FEABMO c1csc(CN2CCOC3(CC[NH+](Cc4nccs4)CC3)C2)n1 ZINC000096048977 222000110 /nfs/dbraw/zinc/00/01/10/222000110.db2.gz DTOZGRGRRHZUEH-UHFFFAOYSA-N 1 1 350.513 2.467 40 0 FEABMO CN(C)C(=O)COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccsc1)C2 ZINC000096056955 222004263 /nfs/dbraw/zinc/00/42/63/222004263.db2.gz ANLKBCPSDAQKCA-WMZOPIPTSA-N 1 1 352.500 2.224 40 0 FEABMO Cc1occc1C(=O)N1CCOC[C@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC000096062438 222008773 /nfs/dbraw/zinc/00/87/73/222008773.db2.gz IGKOUXRXRQUAAT-SFHVURJKSA-N 1 1 361.467 2.409 40 0 FEABMO Cc1occc1C(=O)N1CCOC[C@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC000096062438 222008778 /nfs/dbraw/zinc/00/87/78/222008778.db2.gz IGKOUXRXRQUAAT-SFHVURJKSA-N 1 1 361.467 2.409 40 0 FEABMO O=C(C[C@]12COC[C@H]1C[N@@H+](Cc1ccoc1)C2)NCCc1ccccc1 ZINC000096206634 222076654 /nfs/dbraw/zinc/07/66/54/222076654.db2.gz LVIQOUKZHMAXCI-CTNGQTDRSA-N 1 1 354.450 2.477 40 0 FEABMO COC[C@H]1CCC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)[N@H+]1C ZINC000096207986 222078405 /nfs/dbraw/zinc/07/84/05/222078405.db2.gz YARWJMPAZRWNBA-OAHLLOKOSA-N 1 1 356.463 2.090 40 0 FEABMO O=C(N[C@@H]1CCO[C@]2(CC[N@@H+](Cc3ccncc3)C2)C1)c1cccnc1 ZINC000096207909 222078540 /nfs/dbraw/zinc/07/85/40/222078540.db2.gz PYJGDCLZXXPRPL-UYAOXDASSA-N 1 1 352.438 2.030 40 0 FEABMO Cc1cccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2ncccn2)C3)n1 ZINC000096229108 222089557 /nfs/dbraw/zinc/08/95/57/222089557.db2.gz SNQLJYVRTQZKOV-HXUWFJFHSA-N 1 1 353.470 2.299 40 0 FEABMO O=C(NC[C@H]1C[N@H+](CC2CCOCC2)Cc2ccnn21)c1ccsc1 ZINC000247513381 549348793 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0 FEABMO CC(C)n1nccc1[C@H]1C[N@@H+](CC2CCCCC2)C[C@]12OCCNC2=O ZINC000306137576 528687242 /nfs/dbraw/zinc/68/72/42/528687242.db2.gz RAFYDELPLKKJTB-XLIONFOSSA-N 1 1 360.502 2.329 40 0 FEABMO CCOC[C@]1([NH3+])[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218101391 548685100 /nfs/dbraw/zinc/68/51/00/548685100.db2.gz RBAFYCGFHZOGBJ-QYZOEREBSA-N 1 1 361.463 2.369 40 0 FEABMO COC[C@H]1C[N@@H+](Cc2cccc(C)n2)CC12CCN(C(=O)C1CC1)CC2 ZINC000247866337 549387644 /nfs/dbraw/zinc/38/76/44/549387644.db2.gz ITFGUXTUGAKHRV-GOSISDBHSA-N 1 1 357.498 2.487 40 0 FEABMO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](OCC(=O)N1CCCC1)CS2 ZINC000248056189 549403966 /nfs/dbraw/zinc/40/39/66/549403966.db2.gz ULVJNIFJBOZGFZ-AWEZNQCLSA-N 1 1 367.540 2.150 40 0 FEABMO CCS(=O)(=O)c1cccc(CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000685939087 568430158 /nfs/dbraw/zinc/43/01/58/568430158.db2.gz ZKBAIKJRTDRVPG-MRXNPFEDSA-N 1 1 367.515 2.011 40 0 FEABMO O=C(C[NH+]1CCC(O)(COc2ccccc2F)CC1)NCc1ccccc1 ZINC000585272224 570486361 /nfs/dbraw/zinc/48/63/61/570486361.db2.gz HDDMQIIOXWKHNC-UHFFFAOYSA-N 1 1 372.440 2.348 40 0 FEABMO CCc1[nH+]ccn1CCC(=O)N1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1 ZINC000585280706 570492622 /nfs/dbraw/zinc/49/26/22/570492622.db2.gz NRNBTHCEAVLDLI-SJLPKXTDSA-N 1 1 359.445 2.427 40 0 FEABMO O[C@]1(COc2ccc(F)c(Cl)c2)COCC[N@H+](C2CCOCC2)C1 ZINC000585282699 570493070 /nfs/dbraw/zinc/49/30/70/570493070.db2.gz NAGAIMVZZFJXRF-KRWDZBQOSA-N 1 1 359.825 2.100 40 0 FEABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCC[C@H]3OC(C)(C)CC[C@H]32)CC1 ZINC000585285786 570494467 /nfs/dbraw/zinc/49/44/67/570494467.db2.gz MPHPILDCDAGQEG-HZPDHXFCSA-N 1 1 354.491 2.392 40 0 FEABMO COc1ncccc1CN1CC2(C1)C[C@H](COc1cccnc1)C[N@H+]2C ZINC000585093886 571220161 /nfs/dbraw/zinc/22/01/61/571220161.db2.gz MVYOITUHVDQNLD-INIZCTEOSA-N 1 1 354.454 2.070 40 0 FEABMO CCn1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N3C[C@H]3CCCO3)CC2)cn1 ZINC000585099826 571221929 /nfs/dbraw/zinc/22/19/29/571221929.db2.gz CZURMTBYVSKEDG-UYAOXDASSA-N 1 1 360.502 2.429 40 0 FEABMO COCC[N@H+]1CC[C@@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 ZINC000585101771 571222226 /nfs/dbraw/zinc/22/22/26/571222226.db2.gz FKTVEOGKDNMTAW-MRXNPFEDSA-N 1 1 357.376 2.427 40 0 FEABMO COCC[N@H+]1C[C@H](COC)C2(C1)CCN(C(=O)C1=CCCCC1)CC2 ZINC000585104412 571223942 /nfs/dbraw/zinc/22/39/42/571223942.db2.gz ZZDGIJCWTLKPPQ-GOSISDBHSA-N 1 1 350.503 2.320 40 0 FEABMO COc1ccccc1-c1cnc2n1CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC000585111565 571225595 /nfs/dbraw/zinc/22/55/95/571225595.db2.gz WLGPUBQDZMFOOK-KRWDZBQOSA-N 1 1 368.481 2.428 40 0 FEABMO C[N@H+]1CC[C@H](COCc2ccccn2)CC12CN(C(=O)c1cccnc1)C2 ZINC000306123491 529804935 /nfs/dbraw/zinc/80/49/35/529804935.db2.gz AOVIDLFEYYUWLE-KRWDZBQOSA-N 1 1 366.465 2.230 40 0 FEABMO O=C(c1cnn2c1nc(C1CC1)cc2C(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000002770806 539352992 /nfs/dbraw/zinc/35/29/92/539352992.db2.gz CNTOBWGQXPVWRS-GFCCVEGCSA-N 1 1 361.396 2.465 40 0 FEABMO O=C(C[NH+]1CCC(NC(=O)c2ccccc2)CC1)NCc1ccccc1F ZINC000004400249 539384802 /nfs/dbraw/zinc/38/48/02/539384802.db2.gz LJRBIPYUCLSKJK-UHFFFAOYSA-N 1 1 369.440 2.336 40 0 FEABMO O=C(C[C@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)Nc1ccc(Br)cc1 ZINC000004520281 539387154 /nfs/dbraw/zinc/38/71/54/539387154.db2.gz JQGZXDQESADKOO-BFHYXJOUSA-N 1 1 366.259 2.177 40 0 FEABMO C[C@@H]1CC(C)(C)N(C(=O)CNC(=S)N2CC[NH+](C)CC2)c2ccccc21 ZINC000009939204 539509442 /nfs/dbraw/zinc/50/94/42/539509442.db2.gz OJDRMJCPFOQCFQ-OAHLLOKOSA-N 1 1 374.554 2.427 40 0 FEABMO CN1CCN(C(=O)[C@]23CCC[C@H]2[N@@H+](Cc2ccncc2)CC=CC3)CC1 ZINC000012135532 539546180 /nfs/dbraw/zinc/54/61/80/539546180.db2.gz HBXAZADIOKLNDA-TZIWHRDSSA-N 1 1 354.498 2.156 40 0 FEABMO CC(C)[N@@H+]1CCc2nc3cc(C(=O)NC4CCCC4)ccc3c(=O)n2CC1 ZINC000012187074 539548567 /nfs/dbraw/zinc/54/85/67/539548567.db2.gz VQLPZOJLHMFBAP-UHFFFAOYSA-N 1 1 368.481 2.335 40 0 FEABMO Cc1[nH+]ccn1CCC(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 ZINC000012221680 539550193 /nfs/dbraw/zinc/55/01/93/539550193.db2.gz SEDDBBIFVTUARC-UHFFFAOYSA-N 1 1 366.425 2.433 40 0 FEABMO C[C@H]1CCCC[N@H+]1CC(=O)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019496332 539657926 /nfs/dbraw/zinc/65/79/26/539657926.db2.gz PGKPIPGUSCGULC-DLBZAZTESA-N 1 1 372.513 2.160 40 0 FEABMO COc1cccc(C(=O)N2CCC[C@@H]2c2cc(C[NH+](C)C)[nH]n2)c1OC ZINC000019708917 539666169 /nfs/dbraw/zinc/66/61/69/539666169.db2.gz KFMUBNLRFLSBAG-MRXNPFEDSA-N 1 1 358.442 2.466 40 0 FEABMO Cn1nccc1C[N@H+]1CC[C@@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000019748007 539668126 /nfs/dbraw/zinc/66/81/26/539668126.db2.gz QZKIXUIMVCMYIA-MRXNPFEDSA-N 1 1 351.454 2.082 40 0 FEABMO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000000902276 219338196 /nfs/dbraw/zinc/33/81/96/219338196.db2.gz WZBDRDUHFTVLMS-HNNXBMFYSA-N 1 1 365.499 2.142 40 0 FEABMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000000902276 219338200 /nfs/dbraw/zinc/33/82/00/219338200.db2.gz WZBDRDUHFTVLMS-HNNXBMFYSA-N 1 1 365.499 2.142 40 0 FEABMO C[NH+]1CCN(C(=O)COC(=O)c2ccccc2Nc2ccccc2)CC1 ZINC000032124930 539929744 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353.470 2.337 40 0 FEABMO Nc1ncc(-c2ccc([C@H]3CCCC[N@@H+]3CC(=O)N3CCCC3)cn2)cn1 ZINC000257244614 534747626 /nfs/dbraw/zinc/74/76/26/534747626.db2.gz IMCLTWWIWSEOTR-GOSISDBHSA-N 1 1 366.469 2.270 40 0 FEABMO Nc1ncc(-c2ccc([C@H]3CCCC[N@H+]3CC(=O)N3CCCC3)cn2)cn1 ZINC000257244614 534747627 /nfs/dbraw/zinc/74/76/27/534747627.db2.gz IMCLTWWIWSEOTR-GOSISDBHSA-N 1 1 366.469 2.270 40 0 FEABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](Cc1cccc3c1OCO3)C2 ZINC000225494405 548737009 /nfs/dbraw/zinc/73/70/09/548737009.db2.gz YTAAZHQHBIWRGM-KRWDZBQOSA-N 1 1 355.438 2.322 40 0 biogenic,in-vitro FEABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1cccc3c1OCO3)C2 ZINC000225494405 548737010 /nfs/dbraw/zinc/73/70/10/548737010.db2.gz YTAAZHQHBIWRGM-KRWDZBQOSA-N 1 1 355.438 2.322 40 0 biogenic,in-vitro FEABMO CCOCC(=O)N1CCC2(C[N@@H+](Cc3ccsc3)C[C@@H]2COC)CC1 ZINC000247909514 549391046 /nfs/dbraw/zinc/39/10/46/549391046.db2.gz YBXMTGKOSOTWJI-QGZVFWFLSA-N 1 1 366.527 2.472 40 0 FEABMO Cc1ccc(C(=O)N2CC3(C2)C[C@H](COc2ccccn2)CC[N@H+]3C)cn1 ZINC000248126754 549408151 /nfs/dbraw/zinc/40/81/51/549408151.db2.gz MAHLNAYXFKDRTP-QGZVFWFLSA-N 1 1 366.465 2.400 40 0 FEABMO Cc1ccc(C(=O)N2CC3(C2)C[C@H](COc2ccccn2)CC[N@@H+]3C)cn1 ZINC000248126754 549408154 /nfs/dbraw/zinc/40/81/54/549408154.db2.gz MAHLNAYXFKDRTP-QGZVFWFLSA-N 1 1 366.465 2.400 40 0 FEABMO COC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)c3ccc4c(c3)OCCCO4)C2)C1 ZINC000248163503 549413204 /nfs/dbraw/zinc/41/32/04/549413204.db2.gz YTUJYVFPXVGGAD-OAHLLOKOSA-N 1 1 360.454 2.031 40 0 FEABMO Cc1cc(N2CC[C@](O)(C[N@@H+](C)Cc3ccc(OCCF)cc3)C2)ncn1 ZINC000257322533 549728023 /nfs/dbraw/zinc/72/80/23/549728023.db2.gz WGJKBTNNXSWDCG-FQEVSTJZSA-N 1 1 374.460 2.207 40 0 FEABMO Cc1ccc(OC[C@@]2(O)CC[N@@H+](Cc3cccc(OCCO)c3)C2)cc1 ZINC000585273466 570486389 /nfs/dbraw/zinc/48/63/89/570486389.db2.gz VRZWTPQCFIXVAF-OAQYLSRUSA-N 1 1 357.450 2.382 40 0 FEABMO Cc1cccc(OC[C@@]2(O)CC[N@@H+](Cc3cccc(OCCO)c3)C2)c1 ZINC000585272682 570486880 /nfs/dbraw/zinc/48/68/80/570486880.db2.gz POCUWITZWPOXIB-OAQYLSRUSA-N 1 1 357.450 2.382 40 0 FEABMO COc1cccc(F)c1C[N@@H+]1C[C@H](OC)[C@@H](CC(=O)N2CCCC2)C1 ZINC000585277159 570489288 /nfs/dbraw/zinc/48/92/88/570489288.db2.gz FYWDZBIPJNGIPM-KSSFIOAISA-N 1 1 350.434 2.294 40 0 FEABMO CCn1ncc(NC(=O)[C@@H]2CC[C@@H]([N@@H+](C)Cc3ccccc3)[C@H]2O)c1C ZINC000585280570 570492147 /nfs/dbraw/zinc/49/21/47/570492147.db2.gz KQTZGJXOVPFUPU-QRQLOZEOSA-N 1 1 356.470 2.421 40 0 FEABMO OC1(C[N@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)CCCCCC1 ZINC000585286006 570494569 /nfs/dbraw/zinc/49/45/69/570494569.db2.gz GNCXHJBDVAIHQF-HXUWFJFHSA-N 1 1 367.461 2.353 40 0 FEABMO COc1ncccc1CN1CC2(C1)C[C@@H](COc1cccnc1)C[N@H+]2C ZINC000585093887 571220032 /nfs/dbraw/zinc/22/00/32/571220032.db2.gz MVYOITUHVDQNLD-MRXNPFEDSA-N 1 1 354.454 2.070 40 0 FEABMO COCC[N@H+]1C[C@H](COC)C2(C1)CCN(C(=O)c1ccc(C)o1)CC2 ZINC000585102909 571223218 /nfs/dbraw/zinc/22/32/18/571223218.db2.gz HQYUECORJAUCOI-MRXNPFEDSA-N 1 1 350.459 2.035 40 0 FEABMO C[N@@H+]1CC[C@H](COCC2CCCC2)CC12CN(C(=O)c1cnccn1)C2 ZINC000306139751 529804906 /nfs/dbraw/zinc/80/49/06/529804906.db2.gz TZIQIEQEWDWPGD-KRWDZBQOSA-N 1 1 358.486 2.220 40 0 FEABMO C[N@H+]1CC[C@H](COCC2CCCC2)CC12CN(C(=O)c1cnccn1)C2 ZINC000306139751 529804908 /nfs/dbraw/zinc/80/49/08/529804908.db2.gz TZIQIEQEWDWPGD-KRWDZBQOSA-N 1 1 358.486 2.220 40 0 FEABMO COc1cc2c(cc1OC)[C@]1(Cc3ccc4c(c3[C@@H]1O)OCO4)[N@@H+](C)CC2 ZINC000031495467 539908842 /nfs/dbraw/zinc/90/88/42/539908842.db2.gz QDNMFIYGVRUVCE-SFTDATJTSA-N 1 1 369.417 2.405 40 0 biogenic,in-vitro FEABMO Cc1cc(C)nc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)C[C@H](C)O4)CC2)n1 ZINC000036741412 539994257 /nfs/dbraw/zinc/99/42/57/539994257.db2.gz ZVLKYRRWIIWDKM-QFBILLFUSA-N 1 1 368.481 2.272 40 0 FEABMO C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1 ZINC000036741224 539993741 /nfs/dbraw/zinc/99/37/41/539993741.db2.gz HSRVVQUOOKUHQL-KSSFIOAISA-N 1 1 352.500 2.164 40 0 FEABMO Cn1cc(-c2n[nH]c3c2CCC[C@]32CC[N@H+](CCN3CCCC3)C2)cn1 ZINC000306123811 223107494 /nfs/dbraw/zinc/10/74/94/223107494.db2.gz AXOXZSUUEAQDCD-HXUWFJFHSA-N 1 1 354.502 2.186 40 0 FEABMO Cn1cc(-c2n[nH]c3c2CCC[C@]32CC[N@@H+](CCN3CCCC3)C2)cn1 ZINC000306123811 223107498 /nfs/dbraw/zinc/10/74/98/223107498.db2.gz AXOXZSUUEAQDCD-HXUWFJFHSA-N 1 1 354.502 2.186 40 0 FEABMO Cc1nc(Nc2ncccn2)cc([C@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000072360348 541801992 /nfs/dbraw/zinc/80/19/92/541801992.db2.gz QQSSTKQNOGQXOS-MRXNPFEDSA-N 1 1 350.430 2.389 40 0 FEABMO Cc1nc(Nc2ncccn2)cc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000072360348 541801993 /nfs/dbraw/zinc/80/19/93/541801993.db2.gz QQSSTKQNOGQXOS-MRXNPFEDSA-N 1 1 350.430 2.389 40 0 FEABMO COC(=O)C1C(C[N@@H+]2CCCC[C@@H]2C)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000013566221 220075266 /nfs/dbraw/zinc/07/52/66/220075266.db2.gz DPPLEOROVGYKEO-SCLBCKFNSA-N 1 1 373.453 2.351 40 0 FEABMO COC(=O)C1C(C[N@H+]2CCCC[C@@H]2C)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000013566221 220075268 /nfs/dbraw/zinc/07/52/68/220075268.db2.gz DPPLEOROVGYKEO-SCLBCKFNSA-N 1 1 373.453 2.351 40 0 FEABMO CC(=O)N1CCC([N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccc(C)c3)no2)CC1 ZINC000015674361 220159236 /nfs/dbraw/zinc/15/92/36/220159236.db2.gz CREZOBCSBOFNCR-MSOLQXFVSA-N 1 1 370.453 2.164 40 0 biogenic,in-vitro FEABMO CC(=O)N1CCC([N@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccc(C)c3)no2)CC1 ZINC000015674361 220159240 /nfs/dbraw/zinc/15/92/40/220159240.db2.gz CREZOBCSBOFNCR-MSOLQXFVSA-N 1 1 370.453 2.164 40 0 biogenic,in-vitro FEABMO COc1ccc([C@H]2[C@H]([NH2+]Cc3c(O)nc(C)[nH]c3=O)[C@H]3CCC[C@@H]32)cc1 ZINC000019240589 220243878 /nfs/dbraw/zinc/24/38/78/220243878.db2.gz UURDELLDFCUTPC-CWLKWCNXSA-N 1 1 355.438 2.464 40 0 FEABMO CC(C)Cc1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)n(C)n1 ZINC000019447459 220258375 /nfs/dbraw/zinc/25/83/75/220258375.db2.gz UTJODGLJFSGWTM-UHFFFAOYSA-N 1 1 370.497 2.381 40 0 FEABMO CCC[N@H+]1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO ZINC000019502647 220264406 /nfs/dbraw/zinc/26/44/06/220264406.db2.gz SUFNEFILDFAMIC-GOSISDBHSA-N 1 1 370.501 2.480 40 0 FEABMO CCOCc1ccc(C(=O)N2CCC(O)(Cn3cc[nH+]c3C)CC2)cc1 ZINC000019531207 220267759 /nfs/dbraw/zinc/26/77/59/220267759.db2.gz IJLQRRDMLUXKIS-UHFFFAOYSA-N 1 1 357.454 2.395 40 0 FEABMO Cc1nn(Cc2ccccc2)c(C)c1CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@@H]1C ZINC000019578331 220275491 /nfs/dbraw/zinc/27/54/91/220275491.db2.gz HCGIOKQEAKPDEJ-RYGJVYDSSA-N 1 1 354.498 2.188 40 0 FEABMO C[N@H+]1CCc2nc(C3CCN(C(=O)COc4ccccc4)CC3)ncc2C1 ZINC000019590679 220279161 /nfs/dbraw/zinc/27/91/61/220279161.db2.gz PHZDSRQLIYELAH-UHFFFAOYSA-N 1 1 366.465 2.250 40 0 FEABMO COc1ccc(OCC2CC[NH+](CC(=O)Nc3cnn(C)c3C)CC2)cc1 ZINC000019658910 220284136 /nfs/dbraw/zinc/28/41/36/220284136.db2.gz RHJNMOATIQWYIA-UHFFFAOYSA-N 1 1 372.469 2.467 40 0 FEABMO Cc1onc(C(C)C)c1C(=O)N1CCn2c(nnc2[C@H]2CCC[N@@H+]2C)C1 ZINC000019705535 220286557 /nfs/dbraw/zinc/28/65/57/220286557.db2.gz KUMKRBKKWQRJBP-CYBMUJFWSA-N 1 1 358.446 2.121 40 0 FEABMO Cc1onc(C(C)C)c1C(=O)N1CCn2c(nnc2[C@H]2CCC[N@H+]2C)C1 ZINC000019705535 220286560 /nfs/dbraw/zinc/28/65/60/220286560.db2.gz KUMKRBKKWQRJBP-CYBMUJFWSA-N 1 1 358.446 2.121 40 0 FEABMO Cc1cccn2c(=O)c(C(=O)NCCCn3cc[nH+]c3C(C)C)cnc12 ZINC000019714711 220288967 /nfs/dbraw/zinc/28/89/67/220288967.db2.gz YFACNFHPORFZJT-UHFFFAOYSA-N 1 1 353.426 2.143 40 0 FEABMO CC(=O)N1CCC[C@H](c2nnc3n2CC[N@H+](Cc2cccc(C)c2)CC3)C1 ZINC000019709458 220289103 /nfs/dbraw/zinc/28/91/03/220289103.db2.gz ZMZNEUMJBABRBX-IBGZPJMESA-N 1 1 367.497 2.371 40 0 FEABMO Cc1nc(N)cc(CC2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000019758463 220294550 /nfs/dbraw/zinc/29/45/50/220294550.db2.gz SBEAPRIRFZJOQI-UHFFFAOYSA-N 1 1 357.433 2.400 40 0 FEABMO COc1ccc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000056290844 221078810 /nfs/dbraw/zinc/07/88/10/221078810.db2.gz BVBHCAKCCOANIY-UHFFFAOYSA-N 1 1 353.422 2.335 40 0 FEABMO Cc1cnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccncc4)CO3)CC2)nc1 ZINC000104942396 132238521 /nfs/dbraw/zinc/23/85/21/132238521.db2.gz NLTWMFGUASSXDS-GOSISDBHSA-N 1 1 353.470 2.440 40 0 FEABMO Cc1c(CCC(=O)N(C)[C@@H]2CCCN(c3cccc(C)[nH+]3)C2)cnn1C ZINC000257213105 132295123 /nfs/dbraw/zinc/29/51/23/132295123.db2.gz CGEWYXQQMZOMHN-GOSISDBHSA-N 1 1 355.486 2.492 40 0 FEABMO Cn1cc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)cn1 ZINC000096040179 542988658 /nfs/dbraw/zinc/98/86/58/542988658.db2.gz DYNHYPXGSFAQGI-VQTJNVASSA-N 1 1 356.470 2.403 40 0 FEABMO COc1ccc(C[N@H+]2CCC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)cc1 ZINC000096048780 222000223 /nfs/dbraw/zinc/00/02/23/222000223.db2.gz GMESTKUPVUKHSY-FQEVSTJZSA-N 1 1 354.454 2.448 40 0 FEABMO O=C(C[C@@H]1COC[C@H]2C[N@@H+](Cc3cccs3)C[C@H]21)N1CCCCO1 ZINC000096057286 222004715 /nfs/dbraw/zinc/00/47/15/222004715.db2.gz SPDCWFVVPRBWRG-INMHGKMJSA-N 1 1 350.484 2.387 40 0 FEABMO Cc1ccc(NC[C@H]2CO[C@]3(C2)COCC[N@H+](Cc2ccco2)C3)nn1 ZINC000096078502 222015826 /nfs/dbraw/zinc/01/58/26/222015826.db2.gz GZABPVMSCJJYNG-LPHOPBHVSA-N 1 1 358.442 2.098 40 0 FEABMO Cc1ccc(NC[C@H]2CO[C@]3(C2)COCC[N@@H+](Cc2ccco2)C3)nn1 ZINC000096078502 222015829 /nfs/dbraw/zinc/01/58/29/222015829.db2.gz GZABPVMSCJJYNG-LPHOPBHVSA-N 1 1 358.442 2.098 40 0 FEABMO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CN(c4ccoc4)C(=O)CO3)C2)s1 ZINC000096240182 222095151 /nfs/dbraw/zinc/09/51/51/222095151.db2.gz BOECRJFMWIEGMA-SFHVURJKSA-N 1 1 362.451 2.284 40 0 FEABMO Cc1ccc(C[N@H+]2CCOC[C@@]3(CN(c4ccoc4)C(=O)CO3)C2)s1 ZINC000096240182 222095153 /nfs/dbraw/zinc/09/51/53/222095153.db2.gz BOECRJFMWIEGMA-SFHVURJKSA-N 1 1 362.451 2.284 40 0 FEABMO COCCN1C(C)=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]32)C1=O ZINC000096261498 222105042 /nfs/dbraw/zinc/10/50/42/222105042.db2.gz UHNMTYMRBIROMZ-SVFBPWRDSA-N 1 1 355.482 2.483 40 0 FEABMO CN(C)C(=O)c1nc2c(s1)CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096187576 222070558 /nfs/dbraw/zinc/07/05/58/222070558.db2.gz YZCMICHDWXJQLC-UHFFFAOYSA-N 1 1 359.451 2.174 40 0 FEABMO O=C(C[C@H]1OC[C@H]2C[N@@H+](CC3CCOCC3)CC[C@H]21)Nc1cccnc1 ZINC000096209452 222079582 /nfs/dbraw/zinc/07/95/82/222079582.db2.gz XXZSPGAFCCFOMI-BHIYHBOVSA-N 1 1 359.470 2.174 40 0 FEABMO Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CCN(C(=O)N3CCOCC3)C2)C1 ZINC000096216107 222081118 /nfs/dbraw/zinc/08/11/18/222081118.db2.gz YENDUARMUHNHTP-LJQANCHMSA-N 1 1 362.474 2.032 40 0 FEABMO Cn1cncc1C[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2cccnc2)CC1 ZINC000096218027 222081540 /nfs/dbraw/zinc/08/15/40/222081540.db2.gz DBGLTRJBEJQSDK-HXUWFJFHSA-N 1 1 353.470 2.362 40 0 FEABMO c1ncn2c1C[N@H+](Cc1ccccn1)C[C@H](COCC1CCOCC1)C2 ZINC000096217293 222082208 /nfs/dbraw/zinc/08/22/08/222082208.db2.gz GNKUTRZDVBSYBX-SFHVURJKSA-N 1 1 356.470 2.353 40 0 FEABMO c1ncn2c1C[N@@H+](Cc1ccccn1)C[C@H](COCC1CCOCC1)C2 ZINC000096217293 222082211 /nfs/dbraw/zinc/08/22/11/222082211.db2.gz GNKUTRZDVBSYBX-SFHVURJKSA-N 1 1 356.470 2.353 40 0 FEABMO CC[NH+]1CCN([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 ZINC000096301207 222113346 /nfs/dbraw/zinc/11/33/46/222113346.db2.gz XASQARINWRETJM-ZDUSSCGKSA-N 1 1 356.253 2.263 40 0 FEABMO Cc1ccc(N2CCOC[C@]3(CCC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC000096229168 222089543 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O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2N1Cc1ccccn1 ZINC000306138509 534854240 /nfs/dbraw/zinc/85/42/40/534854240.db2.gz RZDQRXIPWIIBLZ-WOJBJXKFSA-N 1 1 359.433 2.360 40 0 FEABMO C[C@H](Oc1cccc2ccccc21)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000078578804 525951486 /nfs/dbraw/zinc/95/14/86/525951486.db2.gz UIFNMVDBGOIATD-KRWDZBQOSA-N 1 1 355.482 2.361 40 0 FEABMO OC[C@H]1CC[C@@H]([NH2+]C2(Cc3cc(CN4CCCCC4)on3)COC2)CC1 ZINC000252505703 527618054 /nfs/dbraw/zinc/61/80/54/527618054.db2.gz MBIGCGKIWPYRLM-CALCHBBNSA-N 1 1 363.502 2.113 40 0 biogenic,in-vitro FEABMO CC[N@@H+](Cc1ccncc1)C[C@@]1(O)CCN(C(=O)Cc2ccsc2)C1 ZINC000257288946 528861044 /nfs/dbraw/zinc/86/10/44/528861044.db2.gz PWJQECNXVSFOAX-IBGZPJMESA-N 1 1 359.495 2.171 40 0 FEABMO COC[C@]1([NH3+])[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218112828 548685084 /nfs/dbraw/zinc/68/50/84/548685084.db2.gz WXMVYJRRSNSDMK-QYZOEREBSA-N 1 1 361.463 2.287 40 0 FEABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000223175844 548717016 /nfs/dbraw/zinc/71/70/16/548717016.db2.gz GLLVSKSJQNKTDY-INIZCTEOSA-N 1 1 368.499 2.406 40 0 FEABMO C[N@H+](Cc1ccco1)C[C@H]1CCC2(CN(C(=O)c3ccncc3)C2)OC1 ZINC000248046425 549402638 /nfs/dbraw/zinc/40/26/38/549402638.db2.gz MKASUFLRYWEYPB-MRXNPFEDSA-N 1 1 355.438 2.428 40 0 FEABMO Cc1ncoc1C(=O)N1CC2(C1)CC[C@H](C[N@H+](C)Cc1cccnc1)CO2 ZINC000248099938 549406971 /nfs/dbraw/zinc/40/69/71/549406971.db2.gz HJGOUNYDHRENSL-QGZVFWFLSA-N 1 1 370.453 2.131 40 0 FEABMO Cc1noc(C)c1CCC(=O)NCc1cnc(C)nc1[C@H]1CCC[N@@H+]1C ZINC000257276121 549724459 /nfs/dbraw/zinc/72/44/59/549724459.db2.gz NSLAIQJRRJWFTG-QGZVFWFLSA-N 1 1 357.458 2.406 40 0 FEABMO CO[C@]1(COc2ccc(F)cc2)CCC[N@@H+](CC2(O)CCOCC2)C1 ZINC000585276485 570488764 /nfs/dbraw/zinc/48/87/64/570488764.db2.gz KEWCHOCGNIPHHJ-LJQANCHMSA-N 1 1 353.434 2.227 40 0 FEABMO CC(=O)N1CC[N@H+](C2CCCC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585282117 570492658 /nfs/dbraw/zinc/49/26/58/570492658.db2.gz XXKYIQLIENCBMF-HXUWFJFHSA-N 1 1 364.461 2.351 40 0 FEABMO OCCCNc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc[nH+]1 ZINC000329031746 571132765 /nfs/dbraw/zinc/13/27/65/571132765.db2.gz QKVLXWINUZHQNM-UHFFFAOYSA-N 1 1 368.359 2.732 40 0 FEABMO COCCNC(=O)C[C@@H]1Cn2cccc2C[N@@H+](Cc2ccccc2OC)C1 ZINC000585099083 571221726 /nfs/dbraw/zinc/22/17/26/571221726.db2.gz JHMHLHTURUGVRV-KRWDZBQOSA-N 1 1 371.481 2.281 40 0 FEABMO COCCC(=O)N1CCC2(C[N@@H+](Cc3cccs3)C[C@@H]2COC)CC1 ZINC000585104116 571222823 /nfs/dbraw/zinc/22/28/23/571222823.db2.gz WQDRAJPJUSSSBG-MRXNPFEDSA-N 1 1 366.527 2.472 40 0 FEABMO CCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccc(C)c2)CC1 ZINC000585106138 571224664 /nfs/dbraw/zinc/22/46/64/571224664.db2.gz QUHPLNMANKVRNO-MSOLQXFVSA-N 1 1 355.482 2.058 40 0 FEABMO CC(=O)N1CC[N@H+](Cc2cc[nH]n2)C[C@H](Cc2ccc3ncccc3c2)C1 ZINC000585182521 571238103 /nfs/dbraw/zinc/23/81/03/571238103.db2.gz ZOMGTIXKIAWFPC-SFHVURJKSA-N 1 1 363.465 2.481 40 0 FEABMO CC(=O)N1CC[N@@H+](Cc2cc[nH]n2)C[C@H](Cc2ccc3ncccc3c2)C1 ZINC000585182521 571238106 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Cc1[nH+]ccn1CC1(O)CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000012221651 539550584 /nfs/dbraw/zinc/55/05/84/539550584.db2.gz RQNFOWYQMJADDL-UHFFFAOYSA-N 1 1 352.438 2.269 40 0 FEABMO CCCNC(=O)C[NH+]1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 ZINC000012242129 539551374 /nfs/dbraw/zinc/55/13/74/539551374.db2.gz YWTXKKPSSZZWDN-UHFFFAOYSA-N 1 1 351.834 2.411 40 0 FEABMO C[C@H](C[NH+]1CCOCC1)n1cncc1-c1cnc(N2CCC(C)CC2)nc1 ZINC000019719981 539668259 /nfs/dbraw/zinc/66/82/59/539668259.db2.gz VPPHBBPBAMNCOJ-QGZVFWFLSA-N 1 1 370.501 2.470 40 0 FEABMO Cc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000035310848 539979515 /nfs/dbraw/zinc/97/95/15/539979515.db2.gz JXNYGJMHYNRZEH-HXUWFJFHSA-N 1 1 362.481 2.367 40 0 FEABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21c2cc(C)ccc2NC1=O ZINC000043730466 540108036 /nfs/dbraw/zinc/10/80/36/540108036.db2.gz VCHIEKONPXTXBN-GORZOVPNSA-N 1 1 367.449 2.020 40 0 FEABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)Cc2nc3cc(C)ccc3[nH]2)[C@H]1O ZINC000257212704 223021225 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1 1 352.429 2.470 40 0 FEABMO Cn1cc(C[N@@H+]2C[C@@H]3[C@H](C2)N(Cc2cccs2)C(=O)c2cccn23)cn1 ZINC000306138073 223112212 /nfs/dbraw/zinc/11/22/12/223112212.db2.gz ROLAFCQEWRKGBT-MSOLQXFVSA-N 1 1 367.478 2.365 40 0 FEABMO Cn1cc(C[N@H+]2C[C@@H]3[C@H](C2)N(Cc2cccs2)C(=O)c2cccn23)cn1 ZINC000306138073 223112214 /nfs/dbraw/zinc/11/22/14/223112214.db2.gz ROLAFCQEWRKGBT-MSOLQXFVSA-N 1 1 367.478 2.365 40 0 FEABMO CC1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@]23CCc2ccccc2C(=O)N3)CC1 ZINC000072334474 541800660 /nfs/dbraw/zinc/80/06/60/541800660.db2.gz GOABQAAETCFNRL-JVCWNBPMSA-N 1 1 369.509 2.358 40 0 FEABMO COc1ccc(CCC(=O)N2CCC[C@@H]2c2nnc3n2CC[N@H+](C)C3)cc1 ZINC000072373897 541801920 /nfs/dbraw/zinc/80/19/20/541801920.db2.gz FTTWFVKNANOKQG-QGZVFWFLSA-N 1 1 369.469 2.028 40 0 FEABMO CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@H+]2CCC(N)=O ZINC000019017542 220234082 /nfs/dbraw/zinc/23/40/82/220234082.db2.gz MKOGLQYALOKONP-NSHGMRRFSA-N 1 1 361.461 2.260 40 0 FEABMO COc1ccc([C@@H]2[C@@H]3CCC[C@@H]3[C@H]2[NH2+]Cc2c(O)nc(C)[nH]c2=O)cc1 ZINC000019240588 220243628 /nfs/dbraw/zinc/24/36/28/220243628.db2.gz UURDELLDFCUTPC-CYGHRXIMSA-N 1 1 355.438 2.464 40 0 FEABMO COCCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[nH]c(=O)c2C3)cc1 ZINC000019286361 220245271 /nfs/dbraw/zinc/24/52/71/220245271.db2.gz XDKZWSBMFJVAFE-SJORKVTESA-N 1 1 369.465 2.235 40 0 FEABMO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000019292989 220246018 /nfs/dbraw/zinc/24/60/18/220246018.db2.gz RRJNZOUGRHLOGF-UHFFFAOYSA-N 1 1 369.375 2.106 40 0 FEABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](C[C@@H]4CC=CCC4)C[C@H]32)c(OC)n1 ZINC000019594858 220277717 /nfs/dbraw/zinc/27/77/17/220277717.db2.gz ZNXFENIQWHURQG-DOHHPOSVSA-N 1 1 359.470 2.380 40 0 FEABMO CNc1cc(CC[C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)cc[nH+]1 ZINC000257245941 533046943 /nfs/dbraw/zinc/04/69/43/533046943.db2.gz IRUQYCITZAUKEJ-INIZCTEOSA-N 1 1 358.442 2.131 40 0 FEABMO Cc1onc(C(C)C)c1C(=O)N1CCn2c(nnc2[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000019710994 220287543 /nfs/dbraw/zinc/28/75/43/220287543.db2.gz JEZUEDSCZKXCTR-CQSZACIVSA-N 1 1 372.473 2.163 40 0 FEABMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000019715550 220287697 /nfs/dbraw/zinc/28/76/97/220287697.db2.gz UTKVKKGWIJLTMY-HNNXBMFYSA-N 1 1 369.469 2.348 40 0 FEABMO CC1(CNC(=O)Cn2c(C[NH+]3CCCCC3)nc3ccccc32)COC1 ZINC000019714626 220287811 /nfs/dbraw/zinc/28/78/11/220287811.db2.gz PZZQALQTMOAXJN-UHFFFAOYSA-N 1 1 356.470 2.175 40 0 FEABMO CNc1nc([C@H]2CCCN(C(=O)C3CCCC3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708857 220288951 /nfs/dbraw/zinc/28/89/51/220288951.db2.gz IRABJNGVZXKPTN-HNNXBMFYSA-N 1 1 357.502 2.402 40 0 FEABMO CNc1nc([C@H]2CCCN(C(=O)C3CCCC3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708857 220288957 /nfs/dbraw/zinc/28/89/57/220288957.db2.gz IRABJNGVZXKPTN-HNNXBMFYSA-N 1 1 357.502 2.402 40 0 FEABMO Cc1nc(N)cc(CC2CCN(CCS(=O)(=O)c3ccccc3)CC2)[nH+]1 ZINC000019758492 220294958 /nfs/dbraw/zinc/29/49/58/220294958.db2.gz CMFNCTMYGQCBND-UHFFFAOYSA-N 1 1 374.510 2.096 40 0 FEABMO CNc1nccnc1C[C@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000257294634 533088982 /nfs/dbraw/zinc/08/89/82/533088982.db2.gz QUZUDEHZUUAIGJ-QGZVFWFLSA-N 1 1 356.470 2.344 40 0 FEABMO CC(=O)N1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccc(F)cn3)no2)CC1 ZINC000049155340 221019038 /nfs/dbraw/zinc/01/90/38/221019038.db2.gz CBUGSMCFFYCSBS-INIZCTEOSA-N 1 1 359.405 2.419 40 0 biogenic,in-vitro FEABMO COc1ccccc1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000056290829 221078910 /nfs/dbraw/zinc/07/89/10/221078910.db2.gz CNXKKVNVASLHEE-UHFFFAOYSA-N 1 1 353.422 2.335 40 0 FEABMO COc1cccc(CNc2cc(C3CC3)nc(NCCC[NH+](C)C)n2)c1 ZINC000329046958 533485946 /nfs/dbraw/zinc/48/59/46/533485946.db2.gz UDDJCLHTVZKEQX-UHFFFAOYSA-N 1 1 355.486 2.182 40 0 FEABMO O=C1CO[C@]2(CN1c1ccccc1)COCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096051272 132217918 /nfs/dbraw/zinc/21/79/18/132217918.db2.gz SZHZDERATCHMSG-OAQYLSRUSA-N 1 1 370.424 2.460 40 0 FEABMO O=C1CO[C@]2(CN1c1ccccc1)COCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096051272 132217920 /nfs/dbraw/zinc/21/79/20/132217920.db2.gz SZHZDERATCHMSG-OAQYLSRUSA-N 1 1 370.424 2.460 40 0 FEABMO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000096230462 132223047 /nfs/dbraw/zinc/22/30/47/132223047.db2.gz HSNHTYGYMGEQJW-HXUWFJFHSA-N 1 1 354.429 2.144 40 0 FEABMO CCn1nc(C)c(C[N@@H+]2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)c1C ZINC000257275132 132296349 /nfs/dbraw/zinc/29/63/49/132296349.db2.gz NOAWKLCRCXOZFM-OALUTQOASA-N 1 1 354.454 2.136 40 0 FEABMO CCn1nc(C)c(C[N@H+]2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)c1C ZINC000257275132 132296350 /nfs/dbraw/zinc/29/63/50/132296350.db2.gz NOAWKLCRCXOZFM-OALUTQOASA-N 1 1 354.454 2.136 40 0 FEABMO c1coc(C[N@H+]2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306140132 132301916 /nfs/dbraw/zinc/30/19/16/132301916.db2.gz ULIJUOWRGWNNLH-HNNXBMFYSA-N 1 1 353.426 2.148 40 0 FEABMO OCCNc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc[nH+]1 ZINC000328987653 132372305 /nfs/dbraw/zinc/37/23/05/132372305.db2.gz ICUWAXFWEIMHFS-UHFFFAOYSA-N 1 1 354.332 2.342 40 0 FEABMO O=C(NCCc1ccncc1)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096043106 542988292 /nfs/dbraw/zinc/98/82/92/542988292.db2.gz YBBTUDHXBXFYIT-GBESFXJTSA-N 1 1 355.438 2.013 40 0 FEABMO O=C(NCCc1ccncc1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096043106 542988294 /nfs/dbraw/zinc/98/82/94/542988294.db2.gz YBBTUDHXBXFYIT-GBESFXJTSA-N 1 1 355.438 2.013 40 0 FEABMO O=C(NCc1cccnc1)[C@H]1C[N@H+](Cc2ccccc2F)[C@@H]2CCO[C@@H]21 ZINC000108527942 543292593 /nfs/dbraw/zinc/29/25/93/543292593.db2.gz XGIGBFTYBVJWIQ-QXAKKESOSA-N 1 1 355.413 2.126 40 0 FEABMO O=C(NCc1cccnc1)[C@H]1Cn2cccc2C[N@H+](Cc2ccoc2)C1 ZINC000247470608 549338896 /nfs/dbraw/zinc/33/88/96/549338896.db2.gz FISHRAXEOHGRMJ-GOSISDBHSA-N 1 1 350.422 2.425 40 0 FEABMO O=C(NCc1cccnc1)[C@H]1Cn2cccc2C[N@@H+](Cc2ccoc2)C1 ZINC000247470608 549338899 /nfs/dbraw/zinc/33/88/99/549338899.db2.gz FISHRAXEOHGRMJ-GOSISDBHSA-N 1 1 350.422 2.425 40 0 FEABMO Cc1cccc(C[N@H+]2C[C@@H]3COC[C@]3(CNC(=O)c3ccsc3)C2)n1 ZINC000096108469 222026714 /nfs/dbraw/zinc/02/67/14/222026714.db2.gz BJWQXPQMPDIXIC-APWZRJJASA-N 1 1 357.479 2.330 40 0 FEABMO Fc1ccc(CN2CCO[C@@]3(C2)COCC[N@H+](Cc2ccncc2)C3)cc1 ZINC000096049838 222002100 /nfs/dbraw/zinc/00/21/00/222002100.db2.gz OMYZCDMXYWWKKC-NRFANRHFSA-N 1 1 371.456 2.324 40 0 FEABMO Fc1ccc(CN2CCO[C@@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC000096049838 222002104 /nfs/dbraw/zinc/00/21/04/222002104.db2.gz OMYZCDMXYWWKKC-NRFANRHFSA-N 1 1 371.456 2.324 40 0 FEABMO Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](CNC(=O)c4cccn4C)O[C@H]3C2)s1 ZINC000096056667 222004630 /nfs/dbraw/zinc/00/46/30/222004630.db2.gz IHSPACYYRROGGH-RKVPGOIHSA-N 1 1 359.495 2.414 40 0 FEABMO Cn1cccc1C(=O)NC[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2O1 ZINC000096056668 222004673 /nfs/dbraw/zinc/00/46/73/222004673.db2.gz UNEDVUCKKOMRSS-SUMDDJOVSA-N 1 1 357.429 2.184 40 0 FEABMO O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cccs2)O1 ZINC000096055582 222005571 /nfs/dbraw/zinc/00/55/71/222005571.db2.gz OHXXXBHHUBHGLG-ZACQAIPSSA-N 1 1 350.484 2.023 40 0 FEABMO O=C(c1ccncc1)N1CC[N@H+]2C[C@H](OCc3ccccc3F)C[C@H]2C1 ZINC000096063801 222011005 /nfs/dbraw/zinc/01/10/05/222011005.db2.gz PJCXSQVBLIMRSD-ZWKOTPCHSA-N 1 1 355.413 2.336 40 0 FEABMO CCc1cnc(N2CCO[C@@H]3C[N@@H+](Cc4ccccn4)CC[C@@H]3C2)nc1 ZINC000096249775 222100499 /nfs/dbraw/zinc/10/04/99/222100499.db2.gz LUCNAXNQQKGOJP-IEBWSBKVSA-N 1 1 353.470 2.161 40 0 FEABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4cnn(C)c4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261631 222105145 /nfs/dbraw/zinc/10/51/45/222105145.db2.gz DXPFPNHZQWKAHF-FUHIMQAGSA-N 1 1 355.486 2.061 40 0 FEABMO Cn1ccnc1CN1CCC2(C[C@@H]([N@H+](C)Cc3ccncc3)CO2)CC1 ZINC000096158706 222058090 /nfs/dbraw/zinc/05/80/90/222058090.db2.gz SGCRFYJPTNYIGJ-GOSISDBHSA-N 1 1 355.486 2.071 40 0 FEABMO Cn1ccnc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3ccncc3)CO2)CC1 ZINC000096158706 222058092 /nfs/dbraw/zinc/05/80/92/222058092.db2.gz SGCRFYJPTNYIGJ-GOSISDBHSA-N 1 1 355.486 2.071 40 0 FEABMO COc1ccc(CC(=O)N2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC000096161598 222062196 /nfs/dbraw/zinc/06/21/96/222062196.db2.gz FLLIKADOIGYBJN-HDICACEKSA-N 1 1 351.450 2.223 40 0 FEABMO COCC(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](Cc3cccc(F)c3)C2)O1 ZINC000096208080 222078597 /nfs/dbraw/zinc/07/85/97/222078597.db2.gz DFEBKYAXMRGCRX-IEBWSBKVSA-N 1 1 350.434 2.102 40 0 FEABMO CO[C@@H]1CCN(C(=O)c2occc2C)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096218186 222082095 /nfs/dbraw/zinc/08/20/95/222082095.db2.gz KCUZRNNOBWYWSD-RCCFBDPRSA-N 1 1 355.438 2.345 40 0 FEABMO O=C([C@@H]1CCOC1)N1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216467 222082783 /nfs/dbraw/zinc/08/27/83/222082783.db2.gz XYGRHSGZEDFHEY-NQIIRXRSSA-N 1 1 358.482 2.416 40 0 FEABMO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)C3CC3)C2)C1 ZINC000096216092 222082824 /nfs/dbraw/zinc/08/28/24/222082824.db2.gz FFYREKFTMDSDOQ-KRWDZBQOSA-N 1 1 353.488 2.072 40 0 FEABMO C[N@H+]1C[C@@H](COCc2ccccn2)[C@]2(CCN(Cc3cccnc3)C2)C1 ZINC000096220596 222083093 /nfs/dbraw/zinc/08/30/93/222083093.db2.gz CACZKMDHAPHSJJ-PZJWPPBQSA-N 1 1 352.482 2.447 40 0 FEABMO Cn1ccnc1CN1CCC[C@]2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)C1 ZINC000096223482 222085889 /nfs/dbraw/zinc/08/58/89/222085889.db2.gz NJAGUJZWYQEFOL-ICSRJNTNSA-N 1 1 355.486 2.071 40 0 FEABMO Cn1cc(C[N@@H+]2CCOC[C@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)cn1 ZINC000107243513 222391942 /nfs/dbraw/zinc/39/19/42/222391942.db2.gz ILWYDAACRFFTRI-JXFKEZNVSA-N 1 1 374.460 2.279 40 0 FEABMO Cn1cc(C[N@H+]2CCOC[C@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)cn1 ZINC000107243513 222391946 /nfs/dbraw/zinc/39/19/46/222391946.db2.gz ILWYDAACRFFTRI-JXFKEZNVSA-N 1 1 374.460 2.279 40 0 FEABMO c1ccc(C[N@H+]2CCOC[C@@]3(C[C@@H](CNc4ccccn4)CO3)C2)nc1 ZINC000107243546 222392074 /nfs/dbraw/zinc/39/20/74/222392074.db2.gz MYCMLSNFVDBMNQ-FXAWDEMLSA-N 1 1 354.454 2.196 40 0 FEABMO c1ccc(C[N@@H+]2CCOC[C@@]3(C[C@@H](CNc4ccccn4)CO3)C2)nc1 ZINC000107243546 222392077 /nfs/dbraw/zinc/39/20/77/222392077.db2.gz MYCMLSNFVDBMNQ-FXAWDEMLSA-N 1 1 354.454 2.196 40 0 FEABMO COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]3O[C@H]21 ZINC000257314273 533895050 /nfs/dbraw/zinc/89/50/50/533895050.db2.gz UWDNOKZMDIVCCQ-OYUZRVEBSA-N 1 1 360.454 2.120 40 0 FEABMO Cc1cc2cc(C(=O)N3CC[C@H](O)[C@@H]([NH+]4CCOCC4)CC3)ccc2o1 ZINC000257203451 534083382 /nfs/dbraw/zinc/08/33/82/534083382.db2.gz AQCROAUYHKIXHL-ROUUACIJSA-N 1 1 358.438 2.039 40 0 FEABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](C4CCC4)C[C@@H]2C3)cc1 ZINC000306143305 534178727 /nfs/dbraw/zinc/17/87/27/534178727.db2.gz XYEXSBJTGNHNMF-KBPBESRZSA-N 1 1 367.453 2.196 40 0 FEABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](C4CCC4)C[C@H]2C3)cc1 ZINC000306143306 534178949 /nfs/dbraw/zinc/17/89/49/534178949.db2.gz XYEXSBJTGNHNMF-KGLIPLIRSA-N 1 1 367.453 2.196 40 0 FEABMO NC(=O)N1Cc2sc(-c3cccnc3)nc2[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC000306129933 534381069 /nfs/dbraw/zinc/38/10/69/534381069.db2.gz IRDFIOXSWGZNFM-IBGZPJMESA-N 1 1 369.494 2.453 40 0 FEABMO Cc1ccsc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)NC4CCC4)n3C[C@@H]2C1 ZINC000306135721 534471597 /nfs/dbraw/zinc/47/15/97/534471597.db2.gz OYUOHALIBIPHAG-KBPBESRZSA-N 1 1 371.510 2.235 40 0 FEABMO c1ncc(C[NH+]2CCC(Cc3cnc(Nc4cnccn4)cn3)CC2)[nH]1 ZINC000257291402 534527268 /nfs/dbraw/zinc/52/72/68/534527268.db2.gz QGUFTLAVASASCX-UHFFFAOYSA-N 1 1 350.430 2.188 40 0 FEABMO c1nc(C[NH+]2CCC(Cc3cnc(Nc4cnccn4)cn3)CC2)c[nH]1 ZINC000257291402 534527278 /nfs/dbraw/zinc/52/72/78/534527278.db2.gz QGUFTLAVASASCX-UHFFFAOYSA-N 1 1 350.430 2.188 40 0 FEABMO O=C(c1cccc([C@@H]2CCC[N@@H+](CC3CCOCC3)C2)n1)N1CCOCC1 ZINC000257203194 534738347 /nfs/dbraw/zinc/73/83/47/534738347.db2.gz APABGEFOONYNSJ-GOSISDBHSA-N 1 1 373.497 2.160 40 0 FEABMO CC(C)C[N@H+]1C[C@H](c2cn(C)cn2)[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC000306134733 528029285 /nfs/dbraw/zinc/02/92/85/528029285.db2.gz NWNHERGUEBCHFA-NQIIRXRSSA-N 1 1 367.497 2.289 40 0 FEABMO CCOc1ccc([C@H]2[C@H](C(=O)N3CC[NH+](C)CC3)CCC(=O)N2CC)cc1 ZINC000257326989 528609711 /nfs/dbraw/zinc/60/97/11/528609711.db2.gz WZJQKXZBBFMFNU-QUCCMNQESA-N 1 1 373.497 2.159 40 0 FEABMO CC[C@H](Oc1ccccc1Cl)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000175929691 546373814 /nfs/dbraw/zinc/37/38/14/546373814.db2.gz SKJLQOJDSCPJSN-INIZCTEOSA-N 1 1 353.894 2.251 40 0 FEABMO CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CCC[N@@H+]4C)ncc3C2)CC1 ZINC000257300534 549725108 /nfs/dbraw/zinc/72/51/08/549725108.db2.gz RUQRWTJQLMENBS-QGPMSJSTSA-N 1 1 358.486 2.333 40 0 FEABMO CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CCC[N@H+]4C)ncc3C2)CC1 ZINC000257300534 549725113 /nfs/dbraw/zinc/72/51/13/549725113.db2.gz RUQRWTJQLMENBS-QGPMSJSTSA-N 1 1 358.486 2.333 40 0 FEABMO C[NH+]1CCN(C(=O)c2ccc(NCc3cn(C(C)(C)C)nn3)cc2)CC1 ZINC000278996197 550844917 /nfs/dbraw/zinc/84/49/17/550844917.db2.gz QTEOKEASMJEIEG-UHFFFAOYSA-N 1 1 356.474 2.033 40 0 FEABMO Cn1nccc1CCC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1Cc1cccc(F)c1 ZINC000585280487 570492124 /nfs/dbraw/zinc/49/21/24/570492124.db2.gz JHSXHYQTRBWNOC-OALUTQOASA-N 1 1 358.461 2.314 40 0 FEABMO CC(=O)N1CC[N@H+](C2CCCC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585283612 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357.454 2.202 40 0 FEABMO CC(=O)Nc1ccc(C[N@H+]2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)cc1 ZINC000585292314 570496829 /nfs/dbraw/zinc/49/68/29/570496829.db2.gz GYBYEBYBRAGSKY-VAMGGRTRSA-N 1 1 358.413 2.105 40 0 FEABMO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H]4CO)C3)CC2)cc1 ZINC000585103800 571222758 /nfs/dbraw/zinc/22/27/58/571222758.db2.gz KDLXZELXFNEDKT-VQTJNVASSA-N 1 1 372.509 2.463 40 0 FEABMO CCn1cc(CN2CC3(C2)C[C@H](COc2ccccn2)CC[N@H+]3C)cn1 ZINC000585103416 571223477 /nfs/dbraw/zinc/22/34/77/571223477.db2.gz VQNXSAIGOUXJMA-QGZVFWFLSA-N 1 1 355.486 2.273 40 0 FEABMO COc1cc(Cc2c[nH+]c(N)nc2N)c2c(c1OC)O[C@@H](C1CC1)C=C2 ZINC000001486728 539341863 /nfs/dbraw/zinc/34/18/63/539341863.db2.gz HWJPWWYTGBZDEG-CQSZACIVSA-N 1 1 354.410 2.433 40 0 investigational FEABMO C[N@@H+]1CC[C@H](COCC2CCCC2)CC12CN(C(=O)c1ccncn1)C2 ZINC000306143309 529805030 /nfs/dbraw/zinc/80/50/30/529805030.db2.gz XYIDPQYUWARYQT-KRWDZBQOSA-N 1 1 358.486 2.220 40 0 FEABMO C[N@H+]1CC[C@H](COCC2CCCC2)CC12CN(C(=O)c1ccncn1)C2 ZINC000306143309 529805031 /nfs/dbraw/zinc/80/50/31/529805031.db2.gz XYIDPQYUWARYQT-KRWDZBQOSA-N 1 1 358.486 2.220 40 0 FEABMO C[N@@H+](C1CCOCC1)[C@H]1CCN(C(=O)/C=C/c2ccccc2)CC[C@@H]1O ZINC000257272567 529822216 /nfs/dbraw/zinc/82/22/16/529822216.db2.gz NCXAYXOEAYCYKJ-RLFQVEEXSA-N 1 1 358.482 2.163 40 0 FEABMO C[N@@H+]1CCN(C(=O)CN2CCCC2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257274259 530067989 /nfs/dbraw/zinc/06/79/89/530067989.db2.gz NKFPLAOAFVJOIQ-GOSISDBHSA-N 1 1 366.509 2.263 40 0 FEABMO C[N@H+]1CCN(C(=O)CN2CCCC2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257274259 530067990 /nfs/dbraw/zinc/06/79/90/530067990.db2.gz NKFPLAOAFVJOIQ-GOSISDBHSA-N 1 1 366.509 2.263 40 0 FEABMO Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)on1 ZINC000012121241 539544641 /nfs/dbraw/zinc/54/46/41/539544641.db2.gz HIPWLQXLNYNYLO-ZIAGYGMSSA-N 1 1 368.441 2.054 40 0 FEABMO Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)on1 ZINC000012121241 539544644 /nfs/dbraw/zinc/54/46/44/539544644.db2.gz HIPWLQXLNYNYLO-ZIAGYGMSSA-N 1 1 368.441 2.054 40 0 FEABMO C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1 ZINC000012326614 539555350 /nfs/dbraw/zinc/55/53/50/539555350.db2.gz HSRVVQUOOKUHQL-KBXCAEBGSA-N 1 1 352.500 2.164 40 0 FEABMO COc1cccc(C(=O)N2CCC[C@H]2c2cc(C[NH+](C)C)[nH]n2)c1OC ZINC000019708918 539666265 /nfs/dbraw/zinc/66/62/65/539666265.db2.gz KFMUBNLRFLSBAG-INIZCTEOSA-N 1 1 358.442 2.466 40 0 FEABMO O=C(NCCN1CCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030944330 539894493 /nfs/dbraw/zinc/89/44/93/539894493.db2.gz KRLGCSCAYUSCFJ-KRWDZBQOSA-N 1 1 365.905 2.000 40 0 FEABMO C[C@H](Oc1ccc(Br)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000045162688 540205638 /nfs/dbraw/zinc/20/56/38/540205638.db2.gz CWABIARUQCKIPX-ZDUSSCGKSA-N 1 1 371.275 2.055 40 0 FEABMO CN(C)Cc1cn(-c2ccccc2C(=O)NCC[C@H]2CCC[N@H+]2C)cn1 ZINC000257332691 223069197 /nfs/dbraw/zinc/06/91/97/223069197.db2.gz XYHGTGPYUKYWCJ-QGZVFWFLSA-N 1 1 355.486 2.148 40 0 FEABMO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C[C@]12CCCO2 ZINC000257342029 223072311 /nfs/dbraw/zinc/07/23/11/223072311.db2.gz ZMUDNGSEWYTHHJ-MAUKXSAKSA-N 1 1 370.396 2.496 40 0 FEABMO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C[C@]12CCCO2 ZINC000257342029 223072312 /nfs/dbraw/zinc/07/23/12/223072312.db2.gz ZMUDNGSEWYTHHJ-MAUKXSAKSA-N 1 1 370.396 2.496 40 0 FEABMO Cc1ccc(C(=O)N2CC[C@](O)(C[N@H+]3CCc4ccccc4C3)C2)cn1 ZINC000257342292 223073834 /nfs/dbraw/zinc/07/38/34/223073834.db2.gz ZOABRSGOPXXAKE-NRFANRHFSA-N 1 1 351.450 2.025 40 0 FEABMO COCCN1CC[C@@]2(C[N@@H+](CC3CC3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306124972 223106811 /nfs/dbraw/zinc/10/68/11/223106811.db2.gz CDMGYGXZHAUYNB-XLIONFOSSA-N 1 1 360.502 2.138 40 0 FEABMO Cn1cc(C(=O)N2CC3(C2)C[C@H](COCC2CCCC2)CC[N@H+]3C)cn1 ZINC000306131723 223108349 /nfs/dbraw/zinc/10/83/49/223108349.db2.gz KNVMSWADMIFVQW-QGZVFWFLSA-N 1 1 360.502 2.163 40 0 FEABMO O=c1c(-c2ccccc2)nnc2n1CC[C@]21CC[N@@H+](Cc2cccnc2)C1 ZINC000306130631 223108744 /nfs/dbraw/zinc/10/87/44/223108744.db2.gz JLRILJIVNXHENJ-NRFANRHFSA-N 1 1 359.433 2.248 40 0 FEABMO O=C(NC1CCCC1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccsc3)C[C@@H]1C2 ZINC000306144777 223114803 /nfs/dbraw/zinc/11/48/03/223114803.db2.gz ZOJDJVMDLXPIKE-GJZGRUSLSA-N 1 1 371.510 2.316 40 0 FEABMO COc1cccc(Oc2cc(C)nc(C3CC[NH+](CC(N)=O)CC3)n2)c1 ZINC000072361874 541802078 /nfs/dbraw/zinc/80/20/78/541802078.db2.gz CTAFDKXFDRGRNF-UHFFFAOYSA-N 1 1 356.426 2.251 40 0 FEABMO CCOc1cc2c(cc1CN1C[C@H]3CCC[N@H+]3C[C@@H]1CCO)O[C@H](C)C2 ZINC000072324951 541799267 /nfs/dbraw/zinc/79/92/67/541799267.db2.gz SELGONPKGMFWIJ-LZQZEXGQSA-N 1 1 360.498 2.440 40 0 FEABMO C[N@@H+]1CCc2nnc([C@H]3CCCN(C(=O)CC4CCCCC4)C3)n2CC1 ZINC000072370911 541801734 /nfs/dbraw/zinc/80/17/34/541801734.db2.gz XHJNFGYNUCKHMU-KRWDZBQOSA-N 1 1 359.518 2.442 40 0 FEABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccccc4F)C[C@H]32)c(OC)n1 ZINC000072392576 541803825 /nfs/dbraw/zinc/80/38/25/541803825.db2.gz CHLFFWNAGVJDAE-GQWAEJPESA-N 1 1 373.428 2.363 40 0 FEABMO Cc1ccc2c(c1)CN(C(=O)[C@@H](N)c1ccccc1)[C@@H](C[NH+](C)C)CO2 ZINC000072395245 541804177 /nfs/dbraw/zinc/80/41/77/541804177.db2.gz QCKSAKOZTZDKTA-ICSRJNTNSA-N 1 1 353.466 2.346 40 0 FEABMO C[N@H+]1CCn2c(nnc2[C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)C1 ZINC000072374041 541803004 /nfs/dbraw/zinc/80/30/04/541803004.db2.gz CVHBRNGYMBASNW-MRXNPFEDSA-N 1 1 357.433 2.159 40 0 FEABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(N4CCCC4=O)cc3)C2)cc(=O)[nH]1 ZINC000019285240 220243242 /nfs/dbraw/zinc/24/32/42/220243242.db2.gz YJOBXYNRYFSNQF-INIZCTEOSA-N 1 1 352.438 2.195 40 0 FEABMO CCCc1ncc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2Cc2ccccc2)cn1 ZINC000019525776 220266771 /nfs/dbraw/zinc/26/67/71/220266771.db2.gz UINHDFBJRXEJBJ-QHAWAJNXSA-N 1 1 366.509 2.291 40 0 FEABMO CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000019523558 220266882 /nfs/dbraw/zinc/26/68/82/220266882.db2.gz TUFAOBRNTMHCCU-HNNXBMFYSA-N 1 1 372.444 2.205 40 0 FEABMO C[N@H+]1CCc2nc([C@@H]3CCCCN3S(=O)(=O)c3ccccc3)ncc2C1 ZINC000019590356 220277337 /nfs/dbraw/zinc/27/73/37/220277337.db2.gz WOZWSYHOAWWLSB-SFHVURJKSA-N 1 1 372.494 2.380 40 0 FEABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](C[C@H]4CC=CCC4)C[C@H]32)c(OC)n1 ZINC000019594856 220278386 /nfs/dbraw/zinc/27/83/86/220278386.db2.gz ZNXFENIQWHURQG-JTWUUNPKSA-N 1 1 359.470 2.380 40 0 FEABMO COc1cccc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019590557 220278869 /nfs/dbraw/zinc/27/88/69/220278869.db2.gz ZTAGDIRHLILUKY-SFHVURJKSA-N 1 1 352.438 2.450 40 0 FEABMO C[N@H+]1CCc2c(nc(C3CCN(C(=O)c4ccccc4F)CC3)[nH]c2=O)C1 ZINC000019590748 220279191 /nfs/dbraw/zinc/27/91/91/220279191.db2.gz NDQONBKHPFDNGK-UHFFFAOYSA-N 1 1 370.428 2.329 40 0 FEABMO COc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CC[NH+](C)CC1 ZINC000019589941 220279418 /nfs/dbraw/zinc/27/94/18/220279418.db2.gz CJUQJEDLYDLSER-GOSISDBHSA-N 1 1 356.474 2.134 40 0 FEABMO O=C(NCCC[NH+]1CCOCC1)C(Oc1ccccc1)Oc1ccccc1 ZINC000031623453 220638767 /nfs/dbraw/zinc/63/87/67/220638767.db2.gz HEPBANSXQJXALV-UHFFFAOYSA-N 1 1 370.449 2.309 40 0 FEABMO COc1cccc(CC(=O)N(C)[C@@H]2CCC[C@@H](n3cc[nH+]c3C)[C@@H]2O)c1 ZINC000257269235 533443503 /nfs/dbraw/zinc/44/35/03/533443503.db2.gz MPDQKHTWILBRLI-QWFCFKBJSA-N 1 1 357.454 2.356 40 0 FEABMO CS(=O)(=O)N1C[C@]2(CC[N@H+](Cc3ccc(F)cc3)C2)c2ncccc21 ZINC000306124072 533396420 /nfs/dbraw/zinc/39/64/20/533396420.db2.gz BFAWYFYUCUQMMG-GOSISDBHSA-N 1 1 361.442 2.144 40 0 FEABMO CS(=O)(=O)N1C[C@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)c2ncccc21 ZINC000306124072 533396423 /nfs/dbraw/zinc/39/64/23/533396423.db2.gz BFAWYFYUCUQMMG-GOSISDBHSA-N 1 1 361.442 2.144 40 0 FEABMO CO[C@@]12C[C@@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@]1(CC[N@@H+]2C4)[C@@H]6[C@@H]53 ZINC000085811549 542731611 /nfs/dbraw/zinc/73/16/11/542731611.db2.gz BMDMNLBIKSAWCI-WRVMICFLSA-N 1 1 364.445 2.067 40 0 FEABMO CO[C@@]12C[C@@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@]1(CC[N@H+]2C4)[C@@H]6[C@@H]53 ZINC000085811549 542731614 /nfs/dbraw/zinc/73/16/14/542731614.db2.gz BMDMNLBIKSAWCI-WRVMICFLSA-N 1 1 364.445 2.067 40 0 FEABMO CN(C)c1cc(N2CCC3(C[N@@H+](C)C[C@@H]3COCC3CC3)CC2)ncn1 ZINC000248084105 132292219 /nfs/dbraw/zinc/29/22/19/132292219.db2.gz DCPPSZOKGHTUPJ-QGZVFWFLSA-N 1 1 359.518 2.117 40 0 FEABMO CN(Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096048077 542989331 /nfs/dbraw/zinc/98/93/31/542989331.db2.gz VLVHWXIIKGWBNV-LJQANCHMSA-N 1 1 355.486 2.071 40 0 FEABMO CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccco3)C[C@H]2O1 ZINC000096042801 542988417 /nfs/dbraw/zinc/98/84/17/542988417.db2.gz NWGSMJSKQZCWBA-KFKAGJAMSA-N 1 1 355.438 2.313 40 0 FEABMO CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccco3)C[C@H]2O1 ZINC000096042801 542988420 /nfs/dbraw/zinc/98/84/20/542988420.db2.gz NWGSMJSKQZCWBA-KFKAGJAMSA-N 1 1 355.438 2.313 40 0 FEABMO O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3cccs3)C[C@H]21 ZINC000096043356 542988506 /nfs/dbraw/zinc/98/85/06/542988506.db2.gz YUIISNHHWNGAAP-OWCLPIDISA-N 1 1 358.467 2.404 40 0 FEABMO COc1ccc(C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCCC4)[C@@H]3C2)cc1 ZINC000096057211 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367.453 2.260 40 0 FEABMO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccco3)C[C@H]1C2 ZINC000306139546 553750486 /nfs/dbraw/zinc/75/04/86/553750486.db2.gz SZXPFBZTWYDZKO-HUUCEWRRSA-N 1 1 363.421 2.428 40 0 FEABMO COc1ccc([C@@H]2[C@H]3C(=O)N(C)C(=O)[C@@H]3C[N@H+]2Cc2ccccc2)cc1 ZINC000409430665 558690602 /nfs/dbraw/zinc/69/06/02/558690602.db2.gz MWHUUMNAGNNBKH-CEXWTWQISA-N 1 1 350.418 2.483 40 0 FEABMO O[C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC3(CN(Cc4ccccc4)C3)N2C1 ZINC000514288518 560034836 /nfs/dbraw/zinc/03/48/36/560034836.db2.gz BVQZNRDKSDQTCP-FGZHOGPDSA-N 1 1 363.505 2.192 40 0 biogenic,in-vitro FEABMO O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccccc4)C3)[N@@H+]2C1 ZINC000514288518 560034838 /nfs/dbraw/zinc/03/48/38/560034838.db2.gz BVQZNRDKSDQTCP-FGZHOGPDSA-N 1 1 363.505 2.192 40 0 biogenic,in-vitro FEABMO O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccccc4)C3)[N@H+]2C1 ZINC000514288518 560034840 /nfs/dbraw/zinc/03/48/40/560034840.db2.gz BVQZNRDKSDQTCP-FGZHOGPDSA-N 1 1 363.505 2.192 40 0 biogenic,in-vitro FEABMO O=C(C[N@H+]1CCC[C@](O)(COc2ccccc2)C1)NCc1cccc(F)c1 ZINC000585272132 570486479 /nfs/dbraw/zinc/48/64/79/570486479.db2.gz FVUIIHPIWKIIFP-OAQYLSRUSA-N 1 1 372.440 2.348 40 0 FEABMO O=C(C[N@@H+]1CCC[C@](O)(COc2ccccc2)C1)NCc1cccc(F)c1 ZINC000585272132 570486482 /nfs/dbraw/zinc/48/64/82/570486482.db2.gz FVUIIHPIWKIIFP-OAQYLSRUSA-N 1 1 372.440 2.348 40 0 FEABMO Cc1ccc(C)c(OC[C@@]2(O)C[N@@H+](CC3(O)CCCC3)CC[C@@H]2O)c1C ZINC000585287812 570495862 /nfs/dbraw/zinc/49/58/62/570495862.db2.gz SIZBCFPRJWBWAC-RXVVDRJESA-N 1 1 363.498 2.093 40 0 FEABMO CC[NH+]1CCN(C(=O)CCc2ncc(-c3ccc(OC)cc3OC)o2)CC1 ZINC000224871886 571003688 /nfs/dbraw/zinc/00/36/88/571003688.db2.gz XBZGSMIITQPFHE-UHFFFAOYSA-N 1 1 373.453 2.456 40 0 FEABMO COCC[N@H+]1C[C@@H](COC)C2(C1)CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000585102883 571223228 /nfs/dbraw/zinc/22/32/28/571223228.db2.gz GHYKRAXPTOCDAH-KRWDZBQOSA-N 1 1 364.461 2.273 40 0 FEABMO Cc1ccc(C[NH+]2CC3(C2)CC[C@H](CNS(=O)(=O)C2CC2)CO3)cc1 ZINC000585104951 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NOFLRSJIEUIQPP-OALUTQOASA-N 1 1 355.413 2.336 40 0 FEABMO CO[C@@H]1C[N@H+](CC(=O)N2CCSc3ccccc32)CC[C@]12CCCO2 ZINC000257268545 132295856 /nfs/dbraw/zinc/29/58/56/132295856.db2.gz MMESZNAZQIFSRD-IEBWSBKVSA-N 1 1 362.495 2.395 40 0 FEABMO CO[C@@H]1C[N@@H+](CC(=O)N2CCSc3ccccc32)CC[C@]12CCCO2 ZINC000257268545 132295858 /nfs/dbraw/zinc/29/58/58/132295858.db2.gz MMESZNAZQIFSRD-IEBWSBKVSA-N 1 1 362.495 2.395 40 0 FEABMO Cc1nc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cnccn2)C3)cs1 ZINC000096038458 542987849 /nfs/dbraw/zinc/98/78/49/542987849.db2.gz VBCOIGHHOZKZNC-GOSISDBHSA-N 1 1 357.483 2.370 40 0 FEABMO Cc1nc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cnccn2)C3)cs1 ZINC000096038458 542987853 /nfs/dbraw/zinc/98/78/53/542987853.db2.gz VBCOIGHHOZKZNC-GOSISDBHSA-N 1 1 357.483 2.370 40 0 FEABMO O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CC[N@@H+](CC3CCOCC3)C[C@H]21 ZINC000096043369 542988409 /nfs/dbraw/zinc/98/84/09/542988409.db2.gz ZHZBEKKNUVNONO-CEXWTWQISA-N 1 1 359.470 2.174 40 0 FEABMO CO[C@H]1CCN(C(=O)c2ccoc2C)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096111071 542991716 /nfs/dbraw/zinc/99/17/16/542991716.db2.gz XDBNDSNMQRUPEN-OTWHNJEPSA-N 1 1 355.438 2.345 40 0 FEABMO Cc1nc(CN2CCC3(CC[NH+](Cc4nccn4C)CC3)C2=O)cs1 ZINC000096157854 542994145 /nfs/dbraw/zinc/99/41/45/542994145.db2.gz YVAMPTXPEGFWDP-UHFFFAOYSA-N 1 1 359.499 2.200 40 0 FEABMO c1ncn2c1C[N@@H+](CC1CCOCC1)C[C@@H](COCc1ccncc1)C2 ZINC000096208020 542995904 /nfs/dbraw/zinc/99/59/04/542995904.db2.gz CJJYRXNAYHYUDV-LJQANCHMSA-N 1 1 356.470 2.353 40 0 FEABMO COCC[N@H+]1CCc2cc(C(=O)N3CCCC3)c(NCC(C)C)nc2CC1 ZINC000096260545 542998107 /nfs/dbraw/zinc/99/81/07/542998107.db2.gz XERXAEDPPAXKQL-UHFFFAOYSA-N 1 1 374.529 2.433 40 0 FEABMO COc1ccc(C[N@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC000096062506 542990045 /nfs/dbraw/zinc/99/00/45/542990045.db2.gz KPOXHPLOKUFXOT-HXUWFJFHSA-N 1 1 354.454 2.214 40 0 FEABMO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccoc3)C[C@H]12 ZINC000096058470 542990092 /nfs/dbraw/zinc/99/00/92/542990092.db2.gz RBCHKDGWZFZAAZ-OALUTQOASA-N 1 1 360.479 2.457 40 0 FEABMO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccoc3)C[C@H]12 ZINC000096058470 542990094 /nfs/dbraw/zinc/99/00/94/542990094.db2.gz RBCHKDGWZFZAAZ-OALUTQOASA-N 1 1 360.479 2.457 40 0 FEABMO COc1ccc(C[N@H+]2CCOC[C@@]3(CCN(Cc4nccn4C)C3)C2)cc1 ZINC000096062358 542990330 /nfs/dbraw/zinc/99/03/30/542990330.db2.gz TWAQGVYWUZDTHJ-OAQYLSRUSA-N 1 1 370.497 2.153 40 0 FEABMO CCC[NH+]1CCN(C(=O)CSc2n[nH]c(-c3ccccc3C)n2)CC1 ZINC000020195654 519855819 /nfs/dbraw/zinc/85/58/19/519855819.db2.gz PZHXLNUXJJQLAI-UHFFFAOYSA-N 1 1 359.499 2.426 40 0 FEABMO O=C(C[C@H]1C[N@@H+](CC2CCOCC2)Cc2ccnn21)NCc1cccs1 ZINC000247806929 549382203 /nfs/dbraw/zinc/38/22/03/549382203.db2.gz BTPCCKRSUAOIID-KRWDZBQOSA-N 1 1 374.510 2.434 40 0 FEABMO CCS(=O)(=O)NC[C@@H]1CO[C@@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@H]12 ZINC000253490401 549689530 /nfs/dbraw/zinc/68/95/30/549689530.db2.gz INRSAKLYSLYDPN-MISYRCLQSA-N 1 1 374.506 2.226 40 0 FEABMO C[C@H]1c2nc(CC(=O)NCc3cccnc3)cn2CC[N@H+]1CC1CCC1 ZINC000253590930 549696031 /nfs/dbraw/zinc/69/60/31/549696031.db2.gz HSBRWTGSROPGCJ-HNNXBMFYSA-N 1 1 353.470 2.314 40 0 FEABMO C[C@H]1c2nc(CC(=O)NCc3cccnc3)cn2CC[N@@H+]1CC1CCC1 ZINC000253590930 549696036 /nfs/dbraw/zinc/69/60/36/549696036.db2.gz HSBRWTGSROPGCJ-HNNXBMFYSA-N 1 1 353.470 2.314 40 0 FEABMO CCCCc1nc(CN2CCO[C@H](c3nccc(C[NH+](C)C)n3)C2)c[nH]1 ZINC000257213317 549718763 /nfs/dbraw/zinc/71/87/63/549718763.db2.gz CHAYVBLPAWHEPI-KRWDZBQOSA-N 1 1 358.490 2.177 40 0 FEABMO Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3ccc4[nH]nnc4c3)C2)[nH+]1 ZINC000257227801 549720031 /nfs/dbraw/zinc/72/00/31/549720031.db2.gz FQYKKRVSRGRTDX-CQSZACIVSA-N 1 1 350.426 2.357 40 0 FEABMO c1nc(C[NH+]2CCC(Cc3cc(Nc4cnccn4)ncn3)CC2)c[nH]1 ZINC000257265324 549722914 /nfs/dbraw/zinc/72/29/14/549722914.db2.gz LYFDIHMNMQDRAI-UHFFFAOYSA-N 1 1 350.430 2.188 40 0 FEABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@H+](CC3CC3)C[C@H]1C2 ZINC000306124722 553748171 /nfs/dbraw/zinc/74/81/71/553748171.db2.gz BXRYBRDQIMXSTM-ZIAGYGMSSA-N 1 1 355.417 2.184 40 0 FEABMO Cn1cc(C[N@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)cn1 ZINC000306124375 553748510 /nfs/dbraw/zinc/74/85/10/553748510.db2.gz BNRQMXIQKZONKT-OAQYLSRUSA-N 1 1 360.465 2.374 40 0 FEABMO CCc1ccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@@H]3C2)cc1 ZINC000306135268 553749929 /nfs/dbraw/zinc/74/99/29/553749929.db2.gz OMDJDZDZECAPOP-MSOLQXFVSA-N 1 1 367.497 2.283 40 0 FEABMO CC(C)n1nccc1[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@]12OCCNC2=O ZINC000306137574 553750203 /nfs/dbraw/zinc/75/02/03/553750203.db2.gz RAFYDELPLKKJTB-FXAWDEMLSA-N 1 1 360.502 2.329 40 0 FEABMO Cc1ccc(C)c(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)NC(C)C)C[C@@H]3C2)c1 ZINC000306141351 553750218 /nfs/dbraw/zinc/75/02/18/553750218.db2.gz VSYSBLFPLUJMIG-QZTJIDSGSA-N 1 1 367.497 2.337 40 0 FEABMO C[N@@H+]1CC[C@@H](COCC2CCCC2)CC12CN(C(=O)c1ccnnc1)C2 ZINC000306138950 553750248 /nfs/dbraw/zinc/75/02/48/553750248.db2.gz SLJULFWUYDYUJY-QGZVFWFLSA-N 1 1 358.486 2.220 40 0 FEABMO C[N@H+]1CC[C@@H](COCC2CCCC2)CC12CN(C(=O)c1ccnnc1)C2 ZINC000306138950 553750250 /nfs/dbraw/zinc/75/02/50/553750250.db2.gz SLJULFWUYDYUJY-QGZVFWFLSA-N 1 1 358.486 2.220 40 0 FEABMO CC(C)n1cnc([C@H]2C[N@@H+](C)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306139425 553750631 /nfs/dbraw/zinc/75/06/31/553750631.db2.gz SWWRQOKGUXRSJE-YLJYHZDGSA-N 1 1 353.470 2.307 40 0 FEABMO OCCOc1cccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585273579 570486399 /nfs/dbraw/zinc/48/63/99/570486399.db2.gz WTHJXIZZULTIDM-OAQYLSRUSA-N 1 1 357.450 2.464 40 0 FEABMO COc1ccc(F)c(C[N@@H+]2C[C@H](OC)[C@@H](CC(=O)N3CCCC3)C2)c1 ZINC000585279620 570491204 /nfs/dbraw/zinc/49/12/04/570491204.db2.gz WGESCHKXQYVATK-YJBOKZPZSA-N 1 1 350.434 2.294 40 0 FEABMO CN(C)C(=O)[C@H]1CN(C)CC[N@@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C1 ZINC000585282955 570493194 /nfs/dbraw/zinc/49/31/94/570493194.db2.gz KJGGTQDHLBNQIX-JAXLGGSGSA-N 1 1 373.541 2.027 40 0 FEABMO Cc1cc(C)cc(OC[C@@]2(O)C[N@@H+](Cc3ccc(O)cc3)CC[C@@H]2O)c1 ZINC000585287301 570493724 /nfs/dbraw/zinc/49/37/24/570493724.db2.gz MHNPKZKGAINFAQ-SFTDATJTSA-N 1 1 357.450 2.386 40 0 FEABMO O=C1C[C@]2(CN1Cc1cncs1)COCC[N@@H+](Cc1ccccc1)C2 ZINC000585103595 571222488 /nfs/dbraw/zinc/22/24/88/571222488.db2.gz DZCNLGHXCBYCQJ-IBGZPJMESA-N 1 1 357.479 2.394 40 0 FEABMO CCOCC(=O)N1CCC2(C[N@@H+](Cc3cccs3)C[C@H]2COC)CC1 ZINC000585103868 571222648 /nfs/dbraw/zinc/22/26/48/571222648.db2.gz SLXFFNOXBCHVRX-INIZCTEOSA-N 1 1 366.527 2.472 40 0 FEABMO Cn1ccnc1C[N@@H+]1CC[C@@H](c2ccnc(Nc3cc(F)ccn3)n2)C1 ZINC000585177161 571237991 /nfs/dbraw/zinc/23/79/91/571237991.db2.gz KCSZPUFMOVRWCR-CYBMUJFWSA-N 1 1 353.405 2.477 40 0 FEABMO Cn1ccnc1C[N@H+]1CC[C@@H](c2ccnc(Nc3cc(F)ccn3)n2)C1 ZINC000585177161 571237993 /nfs/dbraw/zinc/23/79/93/571237993.db2.gz KCSZPUFMOVRWCR-CYBMUJFWSA-N 1 1 353.405 2.477 40 0 FEABMO CCc1[nH+]ccn1CC1(O)CCN(C(=O)COc2c(C)cccc2C)CC1 ZINC000012143553 539545851 /nfs/dbraw/zinc/54/58/51/539545851.db2.gz QRBDNGFGRQOTCS-UHFFFAOYSA-N 1 1 371.481 2.495 40 0 FEABMO C=Cn1ncc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)c1C ZINC000012742425 539572245 /nfs/dbraw/zinc/57/22/45/539572245.db2.gz WGNPUFVTQRQSTF-QFBILLFUSA-N 1 1 366.469 2.180 40 0 FEABMO C=Cn1ncc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)c1C ZINC000012742425 539572248 /nfs/dbraw/zinc/57/22/48/539572248.db2.gz WGNPUFVTQRQSTF-QFBILLFUSA-N 1 1 366.469 2.180 40 0 FEABMO Cc1cccnc1[C@@]1(O)CC[C@@H]2C[N@@H+](Cc3ccc(OCCO)cc3)C[C@@H]21 ZINC000019237720 539653074 /nfs/dbraw/zinc/65/30/74/539653074.db2.gz SHYHTGWBMRESFK-KAGYGMCKSA-N 1 1 368.477 2.491 40 0 FEABMO Cc1nc(-c2ccc(NC(=O)C[NH+]3CCC(C(N)=O)CC3)cc2)cs1 ZINC000019285623 539653329 /nfs/dbraw/zinc/65/33/29/539653329.db2.gz FJZAVYGDJYROSS-UHFFFAOYSA-N 1 1 358.467 2.254 40 0 FEABMO Cc1cccc(CC(=O)N2CCc3nc([C@@H]4CC[N@H+](C)C4)ncc3C2)c1 ZINC000019234803 539653693 /nfs/dbraw/zinc/65/36/93/539653693.db2.gz PDAJDLSDIUSNKP-QGZVFWFLSA-N 1 1 350.466 2.332 40 0 FEABMO COc1ccccc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019590458 539663454 /nfs/dbraw/zinc/66/34/54/539663454.db2.gz RRAKVSHTBYMRAG-OAHLLOKOSA-N 1 1 366.465 2.493 40 0 FEABMO Fc1ccc(OC2CC[NH+](Cc3ccnc(N4CCOCC4)n3)CC2)cc1 ZINC000019657883 539664212 /nfs/dbraw/zinc/66/42/12/539664212.db2.gz OTAGTLAXZNAZDO-UHFFFAOYSA-N 1 1 372.444 2.496 40 0 FEABMO C[N@@H+]1CCN(Cc2cnc(N3CCOCC3)s2)[C@@H](c2ccccc2)C1 ZINC000019664395 539665036 /nfs/dbraw/zinc/66/50/36/539665036.db2.gz BFUKLFFOAKQICV-GOSISDBHSA-N 1 1 358.511 2.468 40 0 FEABMO C[N@H+]1CCN(Cc2cnc(N3CCOCC3)s2)[C@@H](c2ccccc2)C1 ZINC000019664395 539665040 /nfs/dbraw/zinc/66/50/40/539665040.db2.gz BFUKLFFOAKQICV-GOSISDBHSA-N 1 1 358.511 2.468 40 0 FEABMO Cc1ccccc1N1C(=O)C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000021816684 539688324 /nfs/dbraw/zinc/68/83/24/539688324.db2.gz VREJVTVNZZXQEJ-FQEVSTJZSA-N 1 1 363.461 2.445 40 0 FEABMO CC(C)[N@H+]1CCC[C@H]1c1nc(-c2ccc(N3CCN(C)CC3)nc2)no1 ZINC000049155151 540382900 /nfs/dbraw/zinc/38/29/00/540382900.db2.gz JHERNLJAHCIYCZ-INIZCTEOSA-N 1 1 356.474 2.429 40 0 biogenic,in-vitro FEABMO Cn1ccnc1C(=O)N1CC[N@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355221 541801531 /nfs/dbraw/zinc/80/15/31/541801531.db2.gz LPJYVWFLZDIRFN-KRWDZBQOSA-N 1 1 367.497 2.374 40 0 FEABMO Cc1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 ZINC000072393267 541804148 /nfs/dbraw/zinc/80/41/48/541804148.db2.gz WFBLMASWXYSLKC-MRXNPFEDSA-N 1 1 362.437 2.310 40 0 FEABMO O=S(=O)(NC1CC2(C1)CC[N@@H+](Cc1cccc(F)c1F)C2)C1CC1 ZINC000108525022 206031858 /nfs/dbraw/zinc/03/18/58/206031858.db2.gz KWFQRZGTBCIDRN-UHFFFAOYSA-N 1 1 356.438 2.401 40 0 FEABMO O=S(=O)(NC1CC2(C1)CC[N@H+](Cc1cccc(F)c1F)C2)C1CC1 ZINC000108525022 206031860 /nfs/dbraw/zinc/03/18/60/206031860.db2.gz KWFQRZGTBCIDRN-UHFFFAOYSA-N 1 1 356.438 2.401 40 0 FEABMO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(O)(c2ccc3c(c2)OCO3)CC1 ZINC000004967572 206187368 /nfs/dbraw/zinc/18/73/68/206187368.db2.gz ZCSDJVGKLBEGCJ-WBVHZDCISA-N 1 1 374.481 2.394 40 0 FEABMO COC(=O)C1=CO[C@@H](C)[C@H]2C[N@H+]3CC[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]12 ZINC000004995171 206187567 /nfs/dbraw/zinc/18/75/67/206187567.db2.gz JMIAZDVHNCCPDM-NWQITLLVSA-N 1 1 368.433 2.063 40 0 biogenic,in-vitro FEABMO COc1cc([C@H]2[NH+]=C(N3CCCCC3)Nc3nc(C)cc(=O)n32)ccc1O ZINC000009289367 206247735 /nfs/dbraw/zinc/24/77/35/206247735.db2.gz CONRXHSNBFNAOX-KRWDZBQOSA-N 1 1 369.425 2.080 40 0 FEABMO COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000022585570 206379779 /nfs/dbraw/zinc/37/97/79/206379779.db2.gz FBUWYWUKHYXXSO-SJLPKXTDSA-N 1 1 370.501 2.306 40 0 FEABMO CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)C[NH3+])cc1 ZINC000218410435 206370465 /nfs/dbraw/zinc/37/04/65/206370465.db2.gz WFMPCWCTXNIOTK-OALUTQOASA-N 1 1 358.507 2.401 40 0 FEABMO O=C(C[N@@H+]1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1)N1CCCCC1 ZINC000257254882 206609974 /nfs/dbraw/zinc/60/99/74/206609974.db2.gz KFCWNNCBCIXFNR-ROUUACIJSA-N 1 1 350.434 2.042 40 0 FEABMO Cc1ccc(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1 ZINC000019210370 136152283 /nfs/dbraw/zinc/15/22/83/136152283.db2.gz SCNMQNAORIRCJP-HZPDHXFCSA-N 1 1 368.481 2.250 40 0 FEABMO Cc1ccc(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1 ZINC000019210370 136152284 /nfs/dbraw/zinc/15/22/84/136152284.db2.gz SCNMQNAORIRCJP-HZPDHXFCSA-N 1 1 368.481 2.250 40 0 FEABMO O=C1C[C@]2(CC[N@@H+](CC3CCOCC3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050785 542988946 /nfs/dbraw/zinc/98/89/46/542988946.db2.gz RPJOJIQTFFSFGV-FQEVSTJZSA-N 1 1 358.438 2.271 40 0 FEABMO CS(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccco3)CC[C@]2(c2ccccc2)C1 ZINC000096083384 542991391 /nfs/dbraw/zinc/99/13/91/542991391.db2.gz LQAHJYLESBGUBN-IEBWSBKVSA-N 1 1 360.479 2.315 40 0 FEABMO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(CC(=O)NCc3cccnc3)C2)o1 ZINC000096206409 542995073 /nfs/dbraw/zinc/99/50/73/542995073.db2.gz GMVHFGMLFDBQTG-XLIONFOSSA-N 1 1 355.438 2.138 40 0 FEABMO Cc1ccc(C[N@H+]2CC[C@@]3(CC(C(=O)NC[C@@H]4CCCO4)=NO3)C2)s1 ZINC000096225599 542995791 /nfs/dbraw/zinc/99/57/91/542995791.db2.gz VTNUKWBHKKTKNE-KBXCAEBGSA-N 1 1 363.483 2.073 40 0 FEABMO CCc1cnc(N2CCO[C@H]3C[N@@H+](Cc4ccccn4)CC[C@@H]3C2)nc1 ZINC000096249776 542996754 /nfs/dbraw/zinc/99/67/54/542996754.db2.gz LUCNAXNQQKGOJP-MJGOQNOKSA-N 1 1 353.470 2.161 40 0 FEABMO CN(C)S(=O)(=O)N1CCC2(CC1)C[N@@H+](CC1CC1)Cc1ccccc12 ZINC000096242517 542996998 /nfs/dbraw/zinc/99/69/98/542996998.db2.gz IYUIJBVFHIMWSF-UHFFFAOYSA-N 1 1 363.527 2.052 40 0 FEABMO CNC(=O)c1cc2c(nc1N(C)C)CC[N@@H+](CCc1ccccc1)CC2 ZINC000096260315 542997887 /nfs/dbraw/zinc/99/78/87/542997887.db2.gz SMFTWWRXZIJGMV-UHFFFAOYSA-N 1 1 352.482 2.151 40 0 FEABMO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000096043375 542989437 /nfs/dbraw/zinc/98/94/37/542989437.db2.gz SOGYVGLKNTVOBM-CEXWTWQISA-N 1 1 355.438 2.218 40 0 FEABMO COc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)cc1 ZINC000096058295 542989883 /nfs/dbraw/zinc/98/98/83/542989883.db2.gz 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/nfs/dbraw/zinc/73/76/47/548737647.db2.gz GJRCENJSINOCGZ-UHFFFAOYSA-N 1 1 353.869 2.465 40 0 FEABMO COCC(=O)N1CCC2(C[N@H+](Cc3ccsc3)C[C@@H]2COC)CC1 ZINC000247823470 549385415 /nfs/dbraw/zinc/38/54/15/549385415.db2.gz DSQZOTNEQYHLGM-MRXNPFEDSA-N 1 1 352.500 2.082 40 0 FEABMO Cc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3CCNC(=O)c2nccn2C)s1 ZINC000248117782 549407307 /nfs/dbraw/zinc/40/73/07/549407307.db2.gz JCUQQTJPDSCRIC-HNNXBMFYSA-N 1 1 374.510 2.201 40 0 FEABMO Cn1cccc1C(=O)N1CC2(C1)CC[C@H](C[N@@H+](C)Cc1cccnc1)CO2 ZINC000248140394 549410642 /nfs/dbraw/zinc/41/06/42/549410642.db2.gz TZGUJIBDBYEYHV-GOSISDBHSA-N 1 1 368.481 2.173 40 0 FEABMO COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)C4CC4)CCN3C(C)(C)C2)cc1 ZINC000253409200 549686422 /nfs/dbraw/zinc/68/64/22/549686422.db2.gz ZUKBDDMMMXNPGK-GOSISDBHSA-N 1 1 357.498 2.212 40 0 biogenic,in-vitro FEABMO CC[NH+]1CCN(CC2=CC(C)(C)N3C(=O)C(=O)c4cc(F)cc2c43)CC1 ZINC000253495764 549690445 /nfs/dbraw/zinc/69/04/45/549690445.db2.gz QLFOTLJKXAOEJE-UHFFFAOYSA-N 1 1 357.429 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373.852 2.226 40 0 FEABMO COc1ccc(OC)c(C[N@H+]2C[C@H](c3ccccc3C)[C@@H](O)[C@H]2CO)c1 ZINC000585294425 570497812 /nfs/dbraw/zinc/49/78/12/570497812.db2.gz FDLOYUHTOWWUGT-SFHLNBCPSA-N 1 1 357.450 2.333 40 0 FEABMO Cn1cncc1C[N@H+]1CC[C@@]2(CCC[C@H]2C(=O)NCc2cccnc2)C1 ZINC000503844437 570637998 /nfs/dbraw/zinc/63/79/98/570637998.db2.gz WGLWXJAFGZPALI-ICSRJNTNSA-N 1 1 353.470 2.124 40 0 FEABMO OCCCNc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc[nH+]1 ZINC000328983233 571132805 /nfs/dbraw/zinc/13/28/05/571132805.db2.gz HFGRZVYMKYVSGZ-UHFFFAOYSA-N 1 1 368.359 2.732 40 0 FEABMO COCCNC(=O)C[C@H]1Cn2cccc2C[N@H+](Cc2cccc(OC)c2)C1 ZINC000585099045 571221532 /nfs/dbraw/zinc/22/15/32/571221532.db2.gz GISZVLQAFFISDF-GOSISDBHSA-N 1 1 371.481 2.281 40 0 FEABMO COCCNC(=O)C[C@H]1Cn2cccc2C[N@@H+](Cc2cccc(OC)c2)C1 ZINC000585099045 571221534 /nfs/dbraw/zinc/22/15/34/571221534.db2.gz GISZVLQAFFISDF-GOSISDBHSA-N 1 1 371.481 2.281 40 0 FEABMO O=C(c1ccccc1)N1CCC2(CO[C@H](C[N@@H+]3CCC[C@@H](O)C3)C2)CC1 ZINC000585103473 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2.373 40 0 FEABMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[nH]c(=O)c2C3)cc(OC)c1 ZINC000019286343 539653268 /nfs/dbraw/zinc/65/32/68/539653268.db2.gz GEXWLRHUDWLCIZ-CABCVRRESA-N 1 1 355.438 2.227 40 0 FEABMO CC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2C[N@H+]2CCC[C@@H](CO)C2)C1 ZINC000019016968 539650784 /nfs/dbraw/zinc/65/07/84/539650784.db2.gz YMXXAECNNWJCNA-IAGOWNOFSA-N 1 1 370.497 2.493 40 0 FEABMO Cc1[nH+]ccn1CCC(=O)NCc1nnc(-c2nccc3ccccc32)o1 ZINC000019288064 539654936 /nfs/dbraw/zinc/65/49/36/539654936.db2.gz SFHWBEPWLRMMMG-UHFFFAOYSA-N 1 1 362.393 2.496 40 0 FEABMO CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CCC3)[nH]c2=O)C1 ZINC000019448329 539657113 /nfs/dbraw/zinc/65/71/13/539657113.db2.gz VYFGTIMVUNXKLZ-KRWDZBQOSA-N 1 1 358.486 2.390 40 0 FEABMO CC(C)c1cc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)[nH]n1 ZINC000019451825 539657188 /nfs/dbraw/zinc/65/71/88/539657188.db2.gz KFDXGUBGENMYCX-KRWDZBQOSA-N 1 1 354.458 2.288 40 0 FEABMO CC(C)c1cc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)n[nH]1 ZINC000019451825 539657191 /nfs/dbraw/zinc/65/71/91/539657191.db2.gz KFDXGUBGENMYCX-KRWDZBQOSA-N 1 1 354.458 2.288 40 0 FEABMO CC(C)c1cc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)n[nH]1 ZINC000019451825 539657196 /nfs/dbraw/zinc/65/71/96/539657196.db2.gz KFDXGUBGENMYCX-KRWDZBQOSA-N 1 1 354.458 2.288 40 0 FEABMO COc1ccc(-c2n[nH]cc2CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CCO)cc1 ZINC000019557848 539660733 /nfs/dbraw/zinc/66/07/33/539660733.db2.gz ZMUZYXYHZKVALT-ROUUACIJSA-N 1 1 356.470 2.116 40 0 FEABMO COc1ccccc1C[N@H+]1CCC[C@H](Cn2nnc(-c3cnccn3)n2)C1 ZINC000019570425 539660752 /nfs/dbraw/zinc/66/07/52/539660752.db2.gz BEHMYMYHXSXSHC-HNNXBMFYSA-N 1 1 365.441 2.051 40 0 FEABMO Cc1noc(C)c1C(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019579997 539661689 /nfs/dbraw/zinc/66/16/89/539661689.db2.gz CWFNOJGUZQFMJW-AWEZNQCLSA-N 1 1 355.442 2.089 40 0 FEABMO CC(=O)N1CCC[C@@H](c2nnc3n2CC[N@H+](Cc2cccc(C)c2)CC3)C1 ZINC000019709457 539666212 /nfs/dbraw/zinc/66/62/12/539666212.db2.gz ZMZNEUMJBABRBX-LJQANCHMSA-N 1 1 367.497 2.371 40 0 FEABMO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2nc(C)c3c(n2)N(C)CCC3)C1 ZINC000019752615 539669155 /nfs/dbraw/zinc/66/91/55/539669155.db2.gz ICVPHMQQMQVFRX-INIZCTEOSA-N 1 1 359.518 2.215 40 0 FEABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2nc(C)c3c(n2)N(C)CCC3)C1 ZINC000019752615 539669159 /nfs/dbraw/zinc/66/91/59/539669159.db2.gz ICVPHMQQMQVFRX-INIZCTEOSA-N 1 1 359.518 2.215 40 0 FEABMO Cc1cccc(Nc2nccnc2C2CC[NH+](CC(=O)N(C)C)CC2)n1 ZINC000072362459 541801996 /nfs/dbraw/zinc/80/19/96/541801996.db2.gz WDLBCCUZAPVKGH-UHFFFAOYSA-N 1 1 354.458 2.191 40 0 FEABMO CCCNC(=O)C[NH+]1CCC2(CC1)CN(C(C)=O)Cc1cc(C)ccc1O2 ZINC000072394449 541803763 /nfs/dbraw/zinc/80/37/63/541803763.db2.gz LOMHZZUYEAQWSZ-UHFFFAOYSA-N 1 1 373.497 2.097 40 0 FEABMO CC(C)[N@H+]1CCc2c(nc(C3CCN(C(=O)[C@H]4C[C@H]4C)CC3)[nH]c2=O)C1 ZINC000072398715 541805054 /nfs/dbraw/zinc/80/50/54/541805054.db2.gz NEMHGDKGTPQETL-CJNGLKHVSA-N 1 1 358.486 2.311 40 0 FEABMO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2ccccc2)cc1 ZINC000067897073 204358555 /nfs/dbraw/zinc/35/85/55/204358555.db2.gz LAHVRTDCBNPKIM-UXHICEINSA-N 1 1 352.434 2.307 40 0 biogenic,in-vitro FEABMO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2ccccc2)cc1 ZINC000067897073 204358559 /nfs/dbraw/zinc/35/85/59/204358559.db2.gz LAHVRTDCBNPKIM-UXHICEINSA-N 1 1 352.434 2.307 40 0 biogenic,in-vitro FEABMO COc1ccc(C(=O)N2C[C@H]3CCC[N@H+](Cc4cnn(C)c4)[C@H]3C2)cc1 ZINC000019290702 204675488 /nfs/dbraw/zinc/67/54/88/204675488.db2.gz ZGRPIAUPBSCYJO-MJGOQNOKSA-N 1 1 354.454 2.165 40 0 FEABMO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+](Cc4cnn(C)c4)[C@H]3C2)cc1 ZINC000019290702 204675489 /nfs/dbraw/zinc/67/54/89/204675489.db2.gz ZGRPIAUPBSCYJO-MJGOQNOKSA-N 1 1 354.454 2.165 40 0 FEABMO CCOc1nc(N(C)C)sc1-c1cncn1[C@H](C)C[NH+]1CCOCC1 ZINC000019720031 204703980 /nfs/dbraw/zinc/70/39/80/204703980.db2.gz QVMZFJVCTLAXKD-CYBMUJFWSA-N 1 1 365.503 2.365 40 0 FEABMO Cc1ccc(C[N@H+]2CC[C@@H]3OCCN(C(=O)c4cnccn4)[C@H]3C2)cc1C ZINC000108526711 206031821 /nfs/dbraw/zinc/03/18/21/206031821.db2.gz CFXLFPUKOHDZQA-PMACEKPBSA-N 1 1 366.465 2.209 40 0 FEABMO Cc1ncsc1C[N@H+]1C[C@H](C(=O)NCc2cccs2)[C@H]2OCC[C@H]21 ZINC000108536178 206034197 /nfs/dbraw/zinc/03/41/97/206034197.db2.gz IWTSXHQZMRQILI-SQWLQELKSA-N 1 1 363.508 2.419 40 0 FEABMO C[NH+]1CCN([C@H](c2nnnn2Cc2cccs2)c2ccccc2)CC1 ZINC000020141828 206330339 /nfs/dbraw/zinc/33/03/39/206330339.db2.gz IPUZWWUITFBFJF-KRWDZBQOSA-N 1 1 354.483 2.120 40 0 FEABMO CC[NH+]1CCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC1 ZINC000055374300 206381261 /nfs/dbraw/zinc/38/12/61/206381261.db2.gz ZWLOMZZPQUDCDS-SDXDJHTJSA-N 1 1 353.422 2.215 40 0 FEABMO NCC1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000218389239 206369732 /nfs/dbraw/zinc/36/97/32/206369732.db2.gz QIZZQDQJMCKMSM-JKSUJKDBSA-N 1 1 350.871 2.184 40 0 FEABMO NCC1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218391761 206370136 /nfs/dbraw/zinc/37/01/36/206370136.db2.gz GURRKONCLLDPSU-HOTGVXAUSA-N 1 1 350.871 2.184 40 0 FEABMO Cc1cnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)nc1 ZINC000104952907 132238772 /nfs/dbraw/zinc/23/87/72/132238772.db2.gz YVLTXLYELFVVSD-SFHVURJKSA-N 1 1 353.470 2.440 40 0 FEABMO Cn1cc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)cn1 ZINC000096040178 542987875 /nfs/dbraw/zinc/98/78/75/542987875.db2.gz DYNHYPXGSFAQGI-WOJBJXKFSA-N 1 1 356.470 2.403 40 0 FEABMO Cc1cccc(CN2CC[C@]3(CCC[N@H+](Cc4cnn(C)c4)C3)C2=O)n1 ZINC000096048788 542989009 /nfs/dbraw/zinc/98/90/09/542989009.db2.gz OJXCPVWLXPCLGI-FQEVSTJZSA-N 1 1 353.470 2.138 40 0 FEABMO Cc1cccc(NC[C@@H]2CO[C@]3(C2)COCC[N@@H+](Cc2cnn(C)c2)C3)c1 ZINC000096100645 542990842 /nfs/dbraw/zinc/99/08/42/542990842.db2.gz CNISFFCDPXAEIM-NQIIRXRSSA-N 1 1 370.497 2.448 40 0 FEABMO Cc1cccc(NC[C@@H]2CO[C@]3(C2)COCC[N@H+](Cc2cnn(C)c2)C3)c1 ZINC000096100645 542990845 /nfs/dbraw/zinc/99/08/45/542990845.db2.gz CNISFFCDPXAEIM-NQIIRXRSSA-N 1 1 370.497 2.448 40 0 FEABMO Cc1cccc(C[N@H+]2C[C@@H]3COC[C@]3(CNC(=O)c3ccccc3)C2)n1 ZINC000096108499 542991979 /nfs/dbraw/zinc/99/19/79/542991979.db2.gz MLPWBQRUEHEDGP-NQIIRXRSSA-N 1 1 351.450 2.268 40 0 FEABMO C[N@H+]1CC[C@@]2(C(=O)N3CCCC3)CCN(C(=O)c3ccccc3)CC[C@@H]12 ZINC000096145298 542993257 /nfs/dbraw/zinc/99/32/57/542993257.db2.gz QBDZNKJDIGNIBB-WIYYLYMNSA-N 1 1 355.482 2.236 40 0 FEABMO O=C(C[C@]12COC[C@H]1C[N@@H+](Cc1cccnc1)C2)NCc1cccs1 ZINC000096205921 542995425 /nfs/dbraw/zinc/99/54/25/542995425.db2.gz KVOXTJYKZQNQLY-APWZRJJASA-N 1 1 357.479 2.298 40 0 FEABMO O=C(N[C@H]1CCO[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1)c1cccnc1 ZINC000096206378 542995475 /nfs/dbraw/zinc/99/54/75/542995475.db2.gz NIAFSCVTWSOTKQ-FXAWDEMLSA-N 1 1 352.438 2.030 40 0 FEABMO C[N@H+]1[C@H](COCC2CC2)CCC12CCN(C(=O)C1CCOCC1)CC2 ZINC000096208740 542996043 /nfs/dbraw/zinc/99/60/43/542996043.db2.gz CKDYIBNPCIJBRZ-SFHVURJKSA-N 1 1 350.503 2.295 40 0 FEABMO C[N@H+]1C[C@@H](COCc2cccnc2)[C@]2(CCN(Cc3ccncc3)C2)C1 ZINC000096220567 542996468 /nfs/dbraw/zinc/99/64/68/542996468.db2.gz PAJRGQFEPNQBTM-LEWJYISDSA-N 1 1 352.482 2.447 40 0 FEABMO Cc1cccc(C[N@@H+]2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)n1 ZINC000096223425 542996501 /nfs/dbraw/zinc/99/65/01/542996501.db2.gz JBUUJDJXCWRWSU-ICSRJNTNSA-N 1 1 353.470 2.440 40 0 FEABMO c1ncn2c1C[N@H+](Cc1ccccn1)C[C@@H](COCC1CCOCC1)C2 ZINC000096217290 542996523 /nfs/dbraw/zinc/99/65/23/542996523.db2.gz GNKUTRZDVBSYBX-GOSISDBHSA-N 1 1 356.470 2.353 40 0 FEABMO c1ncn2c1C[N@@H+](Cc1ccccn1)C[C@@H](COCC1CCOCC1)C2 ZINC000096217290 542996525 /nfs/dbraw/zinc/99/65/25/542996525.db2.gz GNKUTRZDVBSYBX-GOSISDBHSA-N 1 1 356.470 2.353 40 0 FEABMO c1ccc(NC[C@H]2CO[C@@]3(C2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC000096240459 542997213 /nfs/dbraw/zinc/99/72/13/542997213.db2.gz VDOJMUFLTYEVPG-AZUAARDMSA-N 1 1 354.454 2.196 40 0 FEABMO c1ccc(NC[C@H]2CO[C@@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC000096240459 542997215 /nfs/dbraw/zinc/99/72/15/542997215.db2.gz VDOJMUFLTYEVPG-AZUAARDMSA-N 1 1 354.454 2.196 40 0 FEABMO COCC[N@H+]1CCc2cc(C(=O)NCC3CC3)c(NCC(C)C)nc2CC1 ZINC000096260537 542997815 /nfs/dbraw/zinc/99/78/15/542997815.db2.gz PGTYIYSPBUQUGI-UHFFFAOYSA-N 1 1 374.529 2.336 40 0 FEABMO C[NH+]1CCN(C(=O)c2c3ccccn3c3ncnc(NCC4CC4)c23)CC1 ZINC000096264399 542997859 /nfs/dbraw/zinc/99/78/59/542997859.db2.gz CLHJKFCQVQDFFN-UHFFFAOYSA-N 1 1 364.453 2.092 40 0 FEABMO COCCN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](CCN(C)C)CC2 ZINC000096069708 542990137 /nfs/dbraw/zinc/99/01/37/542990137.db2.gz CFHOTJDZIXSTQV-IBGZPJMESA-N 1 1 359.514 2.045 40 0 FEABMO C[N@H+](Cc1ccco1)[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]2CCCO[C@H]12 ZINC000096057159 542990313 /nfs/dbraw/zinc/99/03/13/542990313.db2.gz JIEKDMODEBDULP-UHOSZYNNSA-N 1 1 362.470 2.144 40 0 FEABMO C[N@@H+](Cc1ccco1)[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]2CCCO[C@H]12 ZINC000096057159 542990316 /nfs/dbraw/zinc/99/03/16/542990316.db2.gz JIEKDMODEBDULP-UHOSZYNNSA-N 1 1 362.470 2.144 40 0 FEABMO COc1cccc(C[N@@H+]2CCN(CC(=O)NCc3ccco3)[C@@H](C)C2)c1 ZINC000019575646 263374497 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COc1ccc([C@@](O)(CC[NH+]2CCOCC2)c2ccc3c(c2)OCO3)cc1 ZINC000031623914 539913673 /nfs/dbraw/zinc/91/36/73/539913673.db2.gz ARBLWOAVYXCWCG-NRFANRHFSA-N 1 1 371.433 2.382 40 0 FEABMO Cc1cccc(Nc2cnc([C@@H]3CCC[N@@H+](CC(=O)N(C)C)C3)cn2)n1 ZINC000072362451 541802321 /nfs/dbraw/zinc/80/23/21/541802321.db2.gz GVINKMVZVAOHND-OAHLLOKOSA-N 1 1 354.458 2.191 40 0 FEABMO Cc1cccc(Nc2cnc([C@@H]3CCC[N@H+](CC(=O)N(C)C)C3)cn2)n1 ZINC000072362451 541802325 /nfs/dbraw/zinc/80/23/25/541802325.db2.gz GVINKMVZVAOHND-OAHLLOKOSA-N 1 1 354.458 2.191 40 0 FEABMO Cc1[nH+]ccn1CC1(O)CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2)CC1 ZINC000019210806 204671225 /nfs/dbraw/zinc/67/12/25/204671225.db2.gz KXFHEWLTVUKEKJ-MRXNPFEDSA-N 1 1 357.454 2.321 40 0 FEABMO C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)c3cc(C4CC4)on3)ncc2C1 ZINC000019590541 204696825 /nfs/dbraw/zinc/69/68/25/204696825.db2.gz MZRRFYXCSPMXNX-MRXNPFEDSA-N 1 1 353.426 2.307 40 0 FEABMO O=S(=O)(c1cccc2cnccc21)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000039325679 205044903 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CCN1CC[NH+](C[C@@H](O)COc2ccc(OC)cc2C(C)(C)C)CC1 ZINC000022870455 206395049 /nfs/dbraw/zinc/39/50/49/206395049.db2.gz SCZRCVYAWGCTDO-MRXNPFEDSA-N 1 1 350.503 2.370 40 0 FEABMO CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CC[N@@H+](Cc1ccc(C)o1)C2 ZINC000096050139 132217471 /nfs/dbraw/zinc/21/74/71/132217471.db2.gz HKBZXOZJRBNKCV-OAQYLSRUSA-N 1 1 367.449 2.428 40 0 FEABMO C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CCN(c1ncc(F)cn1)CC2 ZINC000096158702 132221120 /nfs/dbraw/zinc/22/11/20/132221120.db2.gz QQQSPFLMZCIYJG-KRWDZBQOSA-N 1 1 357.433 2.271 40 0 FEABMO CN(C)C(=O)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251136 132224386 /nfs/dbraw/zinc/22/43/86/132224386.db2.gz YJXQSRHQIUXZCP-WIYYLYMNSA-N 1 1 365.481 2.036 40 0 FEABMO COC(=O)c1ccc2c(c1)CCN(c1cc(NCCO)[nH+]c(C3CC3)n1)C2 ZINC000328979211 132371985 /nfs/dbraw/zinc/37/19/85/132371985.db2.gz GEWYAJFKYUKPRV-UHFFFAOYSA-N 1 1 368.437 2.108 40 0 FEABMO COC(=O)c1ccc2c(c1)CCN(c1cc(NCCO)nc(C3CC3)[nH+]1)C2 ZINC000328979211 132371986 /nfs/dbraw/zinc/37/19/86/132371986.db2.gz GEWYAJFKYUKPRV-UHFFFAOYSA-N 1 1 368.437 2.108 40 0 FEABMO CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@@]21CCNC1=O ZINC000091302736 542803976 /nfs/dbraw/zinc/80/39/76/542803976.db2.gz YYTYMYGTGJNQSG-OAQYLSRUSA-N 1 1 371.481 2.246 40 0 FEABMO Cc1noc(-c2cnc(N3CC[NH+](C)CC3)nc2-c2cnc(C)cn2)c1C ZINC000072337661 136144665 /nfs/dbraw/zinc/14/46/65/136144665.db2.gz PBYGQGTZHFPYIS-UHFFFAOYSA-N 1 1 365.441 2.266 40 0 FEABMO C[C@H]1CN(c2nccc(C[N@H+]3CC[C@H](O)[C@H]4CCCC[C@@H]43)n2)C[C@H](C)O1 ZINC000072348167 136144851 /nfs/dbraw/zinc/14/48/51/136144851.db2.gz KJIXZEHJTYWXJD-FQQAFBJJSA-N 1 1 360.502 2.216 40 0 FEABMO O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3cccs3)C[C@@H]2O1 ZINC000096041051 542988650 /nfs/dbraw/zinc/98/86/50/542988650.db2.gz KAVQVIZSVGXKCO-WBAXXEDZSA-N 1 1 357.479 2.439 40 0 FEABMO CN1CCC([N@@H+]2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 ZINC000096111810 542991732 /nfs/dbraw/zinc/99/17/32/542991732.db2.gz BEZYXVAVKUNSEZ-HKUYNNGSSA-N 1 1 355.482 2.359 40 0 biogenic,in-vitro FEABMO CN1CCC([N@H+]2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 ZINC000096111810 542991734 /nfs/dbraw/zinc/99/17/34/542991734.db2.gz BEZYXVAVKUNSEZ-HKUYNNGSSA-N 1 1 355.482 2.359 40 0 biogenic,in-vitro FEABMO Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccsc4)CCO[C@@H]3C2)c1 ZINC000096108217 542991808 /nfs/dbraw/zinc/99/18/08/542991808.db2.gz XARPVFLBEPRZBF-ZWKOTPCHSA-N 1 1 357.479 2.425 40 0 FEABMO O=C(c1ccc(F)cc1)N1CC[N@H+]2C[C@H](OCc3ccccn3)C[C@H]2C1 ZINC000096183494 542995046 /nfs/dbraw/zinc/99/50/46/542995046.db2.gz RHNSYIHOQKDPKN-RBUKOAKNSA-N 1 1 355.413 2.336 40 0 FEABMO O=C(C[C@]12COC[C@H]1C[N@@H+](Cc1cccs1)C2)NCc1cccnc1 ZINC000096205839 542995092 /nfs/dbraw/zinc/99/50/92/542995092.db2.gz DXLKOGOLLSEVLE-APWZRJJASA-N 1 1 357.479 2.298 40 0 FEABMO Cc1nc(C[NH+]2CCC3(CC2)[C@H](c2cnn(C)c2)CC(=O)N3C)cs1 ZINC000096199843 542995417 /nfs/dbraw/zinc/99/54/17/542995417.db2.gz USAAPSXUERQMPS-INIZCTEOSA-N 1 1 359.499 2.166 40 0 FEABMO COC[C@@H]1C[N@@H+](C)C[C@@]12CCN(C(=O)COc1cccc(Cl)c1)C2 ZINC000096219917 542996170 /nfs/dbraw/zinc/99/61/70/542996170.db2.gz ONPVDLKKWMIIPY-KBXCAEBGSA-N 1 1 352.862 2.146 40 0 FEABMO O=C(C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccoc3)CC[C@H]21)NCc1cccnc1 ZINC000096207423 542996210 /nfs/dbraw/zinc/99/62/10/542996210.db2.gz WWTLRKBPOMMHQG-QRVBRYPASA-N 1 1 355.438 2.218 40 0 FEABMO Cc1noc(C)c1C[N@@H+]1C[C@H]2[C@H](CC[C@@]23N=C(c2ccccc2)NC3=O)C1 ZINC000096261696 542997829 /nfs/dbraw/zinc/99/78/29/542997829.db2.gz RTGIOZXTRLRWCM-PLMTUMEDSA-N 1 1 364.449 2.449 40 0 FEABMO CN(Cc1cn2c(n1)C[N@@H+](CC1CCOCC1)CC2)Cc1cccnc1 ZINC000096059556 542989768 /nfs/dbraw/zinc/98/97/68/542989768.db2.gz MIUSKFDDDCPMNU-UHFFFAOYSA-N 1 1 355.486 2.152 40 0 FEABMO CN(Cc1cn2c(n1)C[N@H+](CC1CCOCC1)CC2)Cc1cccnc1 ZINC000096059556 542989772 /nfs/dbraw/zinc/98/97/72/542989772.db2.gz MIUSKFDDDCPMNU-UHFFFAOYSA-N 1 1 355.486 2.152 40 0 FEABMO O=C(NCC[C@H]1C[N@@H+](CC2CCOCC2)Cc2ccnn21)c1ccco1 ZINC000247471411 549338947 /nfs/dbraw/zinc/33/89/47/549338947.db2.gz FLBYPHHODZRLDE-INIZCTEOSA-N 1 1 358.442 2.080 40 0 FEABMO Cc1nnc(C[NH2+]CCN2C(=O)c3cccc4cccc(c43)C2=O)s1 ZINC000224698038 548728308 /nfs/dbraw/zinc/72/83/08/548728308.db2.gz YHPDOCZSFWEMOD-UHFFFAOYSA-N 1 1 352.419 2.386 40 0 in-vitro FEABMO O=S(=O)(NC[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000245482293 548932123 /nfs/dbraw/zinc/93/21/23/548932123.db2.gz CZVBFXHICOMEQP-MISYRCLQSA-N 1 1 372.490 2.112 40 0 FEABMO COCC(=O)NCC[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000247841180 549385453 /nfs/dbraw/zinc/38/54/53/549385453.db2.gz NZALBRJQTBNULU-INIZCTEOSA-N 1 1 367.453 2.074 40 0 FEABMO COCC(=O)NCC[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000247841180 549385454 /nfs/dbraw/zinc/38/54/54/549385454.db2.gz NZALBRJQTBNULU-INIZCTEOSA-N 1 1 367.453 2.074 40 0 FEABMO Cc1cc(CN2CC3(C2)CC[C@H](C[N@H+](C)Cc2cccnc2)CO3)no1 ZINC000248126915 549408371 /nfs/dbraw/zinc/40/83/71/549408371.db2.gz PAZQXPCEEIBSPJ-GOSISDBHSA-N 1 1 356.470 2.491 40 0 FEABMO C[N@H+]1CC[C@H](COCc2ccccn2)CC12CN(c1ncc(F)cn1)C2 ZINC000248140018 549410427 /nfs/dbraw/zinc/41/04/27/549410427.db2.gz PXKGXCKUFGEAJB-HNNXBMFYSA-N 1 1 357.433 2.128 40 0 FEABMO Cc1ccc(C[NH+]2CC3(C2)OCC[C@H]3CCNC(=O)c2nccn2C)cc1 ZINC000248166252 549413271 /nfs/dbraw/zinc/41/32/71/549413271.db2.gz ZYSLPBZBZZYRDV-GOSISDBHSA-N 1 1 368.481 2.140 40 0 FEABMO CCc1cnc(N2CCO[C@H]3C[N@@H+](Cc4ccccn4)CC[C@H]3C2)nc1 ZINC000253606431 549698606 /nfs/dbraw/zinc/69/86/06/549698606.db2.gz LUCNAXNQQKGOJP-HKUYNNGSSA-N 1 1 353.470 2.161 40 0 FEABMO Cc1ncncc1C(=O)N(C)C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@H+]1C ZINC000257224797 549719183 /nfs/dbraw/zinc/71/91/83/549719183.db2.gz FDJPVDAMEUHOCS-QOJCHSLYSA-N 1 1 360.502 2.261 40 0 FEABMO C[N@@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2ncc[nH]2)CC1 ZINC000257232799 549719560 /nfs/dbraw/zinc/71/95/60/549719560.db2.gz GMLSCSVORLXLSU-IBGZPJMESA-N 1 1 360.433 2.038 40 0 FEABMO Cc1ncc(C[NH+](C)C)c([C@H]2CCCN2C(=O)CCCn2ccnc2)n1 ZINC000257264323 549722780 /nfs/dbraw/zinc/72/27/80/549722780.db2.gz LTWZBPVGWUPRHF-QGZVFWFLSA-N 1 1 356.474 2.187 40 0 FEABMO CNC(=O)C[N@@H+]1CCC[C@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1 ZINC000257268909 549722900 /nfs/dbraw/zinc/72/29/00/549722900.db2.gz MNTINGBTAFNWCH-ZDUSSCGKSA-N 1 1 360.487 2.219 40 0 FEABMO CNC(=O)C[N@H+]1CCC[C@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1 ZINC000257268909 549722903 /nfs/dbraw/zinc/72/29/03/549722903.db2.gz MNTINGBTAFNWCH-ZDUSSCGKSA-N 1 1 360.487 2.219 40 0 FEABMO C[C@]1(O)CC[N@@H+](Cc2ccc(OCCO)cc2)C[C@@H]1Oc1ccccc1 ZINC000257270118 549723324 /nfs/dbraw/zinc/72/33/24/549723324.db2.gz MSVYUNJEDPXLKM-SFTDATJTSA-N 1 1 357.450 2.462 40 0 FEABMO CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257284291 549724141 /nfs/dbraw/zinc/72/41/41/549724141.db2.gz PCBPQLCAZKGVKI-BRWVUGGUSA-N 1 1 352.862 2.026 40 0 FEABMO CNC(=O)c1sc2nc([C@@H]3CCCN3C3CC[NH+](C)CC3)ccc2c1N ZINC000257294559 549725227 /nfs/dbraw/zinc/72/52/27/549725227.db2.gz QURUKGAQRKBZRK-HNNXBMFYSA-N 1 1 373.526 2.469 40 0 FEABMO COc1ncc(C[N@@H+]2CCOC[C@@H](Cc3ccc4n[nH]cc4c3)C2)cn1 ZINC000257316108 549727330 /nfs/dbraw/zinc/72/73/30/549727330.db2.gz VEDTUGXVEPLSHR-HNNXBMFYSA-N 1 1 353.426 2.053 40 0 FEABMO COc1ncc(C[N@H+]2CCOC[C@@H](Cc3ccc4n[nH]cc4c3)C2)cn1 ZINC000257316108 549727335 /nfs/dbraw/zinc/72/73/35/549727335.db2.gz VEDTUGXVEPLSHR-HNNXBMFYSA-N 1 1 353.426 2.053 40 0 FEABMO C[N@H+](CC(=O)N1CCC[C@]2(C)NC(=O)CCC[C@H]12)Cc1ccc(F)cc1 ZINC000257322553 549727982 /nfs/dbraw/zinc/72/79/82/549727982.db2.gz WGKMEOOHLDPQRR-PXNSSMCTSA-N 1 1 361.461 2.307 40 0 FEABMO C[N@@H+](CC(=O)N1CCC[C@]2(C)NC(=O)CCC[C@H]12)Cc1ccc(F)cc1 ZINC000257322553 549727985 /nfs/dbraw/zinc/72/79/85/549727985.db2.gz WGKMEOOHLDPQRR-PXNSSMCTSA-N 1 1 361.461 2.307 40 0 FEABMO Cc1nn(C)c(C)c1C[NH+]1CCC(Cc2cnc(CN(C)C)cn2)CC1 ZINC000257342245 549728336 /nfs/dbraw/zinc/72/83/36/549728336.db2.gz ZNTHHBFURLVDJD-UHFFFAOYSA-N 1 1 356.518 2.343 40 0 FEABMO Cc1ccc(C[N@H+]2C[C@H]3OC[C@@H](CNC(=O)c4cccnc4)[C@H]3C2)s1 ZINC000306124264 553748130 /nfs/dbraw/zinc/74/81/30/553748130.db2.gz BKYRUQMBZKQUDK-KBAYOESNSA-N 1 1 357.479 2.328 40 0 FEABMO COc1cccc(C[N@@H+]2C[C@H](OC)[C@@H](CC(=O)N3CCCC3)C2)c1F ZINC000585276954 570489451 /nfs/dbraw/zinc/48/94/51/570489451.db2.gz FAEKDPKXKDQGGQ-RDJZCZTQSA-N 1 1 350.434 2.294 40 0 FEABMO Cc1ccc(Cl)c(OC[C@@]2(O)C[N@H+](C3CCOCC3)CC[C@@H]2O)c1 ZINC000585281831 570491655 /nfs/dbraw/zinc/49/16/55/570491655.db2.gz BTWJCJWAHBMXQJ-ROUUACIJSA-N 1 1 355.862 2.004 40 0 FEABMO Cc1ccc(OC[C@@]2(O)C[N@@H+](CC3(O)CCCCCC3)CC[C@@H]2O)cc1 ZINC000585284726 570494256 /nfs/dbraw/zinc/49/42/56/570494256.db2.gz ZIOWZGQDNSKIOI-FPOVZHCZSA-N 1 1 363.498 2.257 40 0 FEABMO Cc1ccsc1C[N@@H+]1Cc2cccn2C[C@H](CCNS(C)(=O)=O)C1 ZINC000585095100 571219861 /nfs/dbraw/zinc/21/98/61/571219861.db2.gz FRTJRGMOJDSUOA-OAHLLOKOSA-N 1 1 367.540 2.429 40 0 FEABMO Cn1cncc1C[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2cncs2)CC1 ZINC000585100872 571222281 /nfs/dbraw/zinc/22/22/81/571222281.db2.gz ZWFBBNFLMFOISW-GOSISDBHSA-N 1 1 359.499 2.424 40 0 FEABMO CC[N@@H+](C)C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000585104142 571222844 /nfs/dbraw/zinc/22/28/44/571222844.db2.gz LVXWYKQANAUDKP-MRXNPFEDSA-N 1 1 352.500 2.198 40 0 FEABMO Cc1ccc(C[NH+]2CC3(C2)OCC[C@H]3CCNS(=O)(=O)C2CC2)s1 ZINC000585103377 571223528 /nfs/dbraw/zinc/22/35/28/571223528.db2.gz VDDAMHHDALMMES-CQSZACIVSA-N 1 1 370.540 2.119 40 0 FEABMO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CC4CC4)C[C@@H]23)s1 ZINC000585106171 571224586 /nfs/dbraw/zinc/22/45/86/571224586.db2.gz UQWMPHWGWQVAGZ-CVEARBPZSA-N 1 1 373.522 2.119 40 0 FEABMO CCc1n[nH]cc1C(=O)N(C)C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@H+]1C ZINC000257295413 529470103 /nfs/dbraw/zinc/47/01/03/529470103.db2.gz QYFCOXMFIMXGFO-JRJVTICQSA-N 1 1 362.518 2.448 40 0 FEABMO C[N@H+]1CCC[C@@H]1CCNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 ZINC000004984051 539398191 /nfs/dbraw/zinc/39/81/91/539398191.db2.gz HQUUQCQLIKSKCG-UFSZVFTQSA-N 1 1 366.465 2.386 40 0 FEABMO C[NH+]1CCN(N2Cn3c4ccccc4nc3N(Cc3ccco3)C2)CC1 ZINC000019172391 539652661 /nfs/dbraw/zinc/65/26/61/539652661.db2.gz SWCJRAJNDUNCOX-UHFFFAOYSA-N 1 1 352.442 2.029 40 0 FEABMO COCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccccc3OC)C2)no1 ZINC000019593554 539662774 /nfs/dbraw/zinc/66/27/74/539662774.db2.gz IZIMZZOHQCZWLJ-HNNXBMFYSA-N 1 1 373.453 2.439 40 0 FEABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)c4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019590274 539662983 /nfs/dbraw/zinc/66/29/83/539662983.db2.gz JCJUNQOFBBQPIJ-ZDUSSCGKSA-N 1 1 370.428 2.329 40 0 FEABMO Cc1nc2cc(NC(=O)C[N@H+]3CCC[C@H]3Cn3cccn3)ccc2n1C ZINC000019658003 539664231 /nfs/dbraw/zinc/66/42/31/539664231.db2.gz HPYNOSCAGBZUHD-INIZCTEOSA-N 1 1 352.442 2.181 40 0 FEABMO COC(=O)C1C(C[NH2+]C2CCCCC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057721649 540811706 /nfs/dbraw/zinc/81/17/06/540811706.db2.gz ICHCTNHHJDBSAQ-SFHVURJKSA-N 1 1 373.453 2.399 40 0 FEABMO Cc1nn(C)cc1C[N@H+]1CC[C@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108532051 209289172 /nfs/dbraw/zinc/28/91/72/209289172.db2.gz RUZRTZXNRVMUPY-NVXWUHKLSA-N 1 1 352.429 2.198 40 0 FEABMO O=C(c1ccc(F)cc1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC000107197894 209275948 /nfs/dbraw/zinc/27/59/48/209275948.db2.gz ZQGNQMXVMYRYIU-RBUKOAKNSA-N 1 1 355.413 2.336 40 0 FEABMO O=C(c1cc[nH]n1)N1CC[N@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355189 541801236 /nfs/dbraw/zinc/80/12/36/541801236.db2.gz VXTWOFQIAXICJZ-MRXNPFEDSA-N 1 1 353.470 2.364 40 0 FEABMO O=C(c1ccn[nH]1)N1CC[N@@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355189 541801239 /nfs/dbraw/zinc/80/12/39/541801239.db2.gz VXTWOFQIAXICJZ-MRXNPFEDSA-N 1 1 353.470 2.364 40 0 FEABMO O=C(c1ccn[nH]1)N1CC[N@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355189 541801240 /nfs/dbraw/zinc/80/12/40/541801240.db2.gz VXTWOFQIAXICJZ-MRXNPFEDSA-N 1 1 353.470 2.364 40 0 FEABMO CNC(=O)c1cc2c(nc1NC(C)C)CC[N@@H+](Cc1cccnc1)CC2 ZINC000096260413 209146141 /nfs/dbraw/zinc/14/61/41/209146141.db2.gz HKWYQLJUIWTUMN-UHFFFAOYSA-N 1 1 353.470 2.257 40 0 FEABMO COCC[N@@H+]1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC000096261914 209145842 /nfs/dbraw/zinc/14/58/42/209145842.db2.gz IMUPWFPRXXTKJG-HXUWFJFHSA-N 1 1 372.490 2.439 40 0 FEABMO COCC[N@H+]1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC000096261914 209145845 /nfs/dbraw/zinc/14/58/45/209145845.db2.gz IMUPWFPRXXTKJG-HXUWFJFHSA-N 1 1 372.490 2.439 40 0 FEABMO COCC[N@H+]1CC2(C[C@@H]1COC)CCN(C(=O)C1=CCCCC1)CC2 ZINC000096206530 209135260 /nfs/dbraw/zinc/13/52/60/209135260.db2.gz SFYUJIHVLGFXJJ-GOSISDBHSA-N 1 1 350.503 2.463 40 0 FEABMO Cc1cnc(C(=O)N2CCC3(CC[C@@H](COCC4CC4)[N@@H+]3C)CC2)cn1 ZINC000096209494 209136161 /nfs/dbraw/zinc/13/61/61/209136161.db2.gz KDHXIZUTMRPADK-KRWDZBQOSA-N 1 1 358.486 2.281 40 0 FEABMO COC[C@@H]1CCC2(CCN(C(=O)C3CCOCC3)CC2)[N@H+]1CC1CC1 ZINC000096207616 209133940 /nfs/dbraw/zinc/13/39/40/209133940.db2.gz FAGBORINZWSRIV-SFHVURJKSA-N 1 1 350.503 2.295 40 0 FEABMO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(COCC(=O)N(C)C)C2)s1 ZINC000096110346 209115097 /nfs/dbraw/zinc/11/50/97/209115097.db2.gz ZKDYDQWECKJRCZ-AEFFLSMTSA-N 1 1 352.500 2.142 40 0 FEABMO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)c4cscn4)CCO[C@@H]3C2)cc1 ZINC000096108093 209113642 /nfs/dbraw/zinc/11/36/42/209113642.db2.gz QZEMTSYGJFNPMT-SJLPKXTDSA-N 1 1 357.479 2.425 40 0 FEABMO Cc1ncsc1C[N@H+]1C[C@@H]2COC[C@]2(CNC(=O)c2ccccc2)C1 ZINC000096108500 209112586 /nfs/dbraw/zinc/11/25/86/209112586.db2.gz TVQROIAITPJBTC-APWZRJJASA-N 1 1 357.479 2.330 40 0 FEABMO Cn1cc(C[N@H+]2CC[C@]23CCN(c2nccc(C(F)(F)F)n2)C3)cn1 ZINC000096076112 209108603 /nfs/dbraw/zinc/10/86/03/209108603.db2.gz QHERZIJIIKPGLC-HNNXBMFYSA-N 1 1 352.364 2.084 40 0 FEABMO Cn1cc(C[N@@H+]2CC[C@]23CCN(c2nccc(C(F)(F)F)n2)C3)cn1 ZINC000096076112 209108602 /nfs/dbraw/zinc/10/86/02/209108602.db2.gz QHERZIJIIKPGLC-HNNXBMFYSA-N 1 1 352.364 2.084 40 0 FEABMO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000035425015 207155659 /nfs/dbraw/zinc/15/56/59/207155659.db2.gz LTGUAHZVZXLCCY-INIZCTEOSA-N 1 1 374.441 2.473 40 0 biogenic,in-vitro FEABMO Cc1nccc(-c2ccc(-c3noc(C[N@@H+]4CCC[C@H](O)C4)n3)cc2)n1 ZINC000012337094 207363088 /nfs/dbraw/zinc/36/30/88/207363088.db2.gz FWLRCNLTGZZAQH-INIZCTEOSA-N 1 1 351.410 2.459 40 0 FEABMO Cc1nccc(-c2ccc(-c3noc(C[N@H+]4CCC[C@H](O)C4)n3)cc2)n1 ZINC000012337094 207363093 /nfs/dbraw/zinc/36/30/93/207363093.db2.gz FWLRCNLTGZZAQH-INIZCTEOSA-N 1 1 351.410 2.459 40 0 FEABMO CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1CN(C(=O)c1ccccn1)CCC2 ZINC000096055917 209104434 /nfs/dbraw/zinc/10/44/34/209104434.db2.gz SHNDKQNMGCGINN-JXFKEZNVSA-N 1 1 359.470 2.207 40 0 FEABMO c1csc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2nncs2)C3)n1 ZINC000096049668 209101700 /nfs/dbraw/zinc/10/17/00/209101700.db2.gz JJLBXPHCHVWMLM-HNNXBMFYSA-N 1 1 351.501 2.114 40 0 FEABMO c1csc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2nncs2)C3)n1 ZINC000096049668 209101704 /nfs/dbraw/zinc/10/17/04/209101704.db2.gz JJLBXPHCHVWMLM-HNNXBMFYSA-N 1 1 351.501 2.114 40 0 FEABMO COc1cccc(C[N@@H+]2CCOC3(CCN(c4ncccn4)CC3)C2)c1 ZINC000096158868 132221282 /nfs/dbraw/zinc/22/12/82/132221282.db2.gz PMLNPQDUHVRJDG-UHFFFAOYSA-N 1 1 354.454 2.357 40 0 FEABMO COc1cccc(C[N@H+]2CCOC3(CCN(c4ncccn4)CC3)C2)c1 ZINC000096158868 132221283 /nfs/dbraw/zinc/22/12/83/132221283.db2.gz PMLNPQDUHVRJDG-UHFFFAOYSA-N 1 1 354.454 2.357 40 0 FEABMO Cc1ccc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)s1 ZINC000019217206 136152211 /nfs/dbraw/zinc/15/22/11/136152211.db2.gz AJOZAFCMQVPZNC-HNNXBMFYSA-N 1 1 374.510 2.356 40 0 FEABMO CC(=O)N1CCC([N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(C)ccc4[nH]3)C2)CC1 ZINC000096112297 542991922 /nfs/dbraw/zinc/99/19/22/542991922.db2.gz PQUNSWUECODTGS-APWZRJJASA-N 1 1 374.460 2.421 40 0 biogenic,in-vitro FEABMO CC(=O)N1CCC([N@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(C)ccc4[nH]3)C2)CC1 ZINC000096112297 542991927 /nfs/dbraw/zinc/99/19/27/542991927.db2.gz PQUNSWUECODTGS-APWZRJJASA-N 1 1 374.460 2.421 40 0 biogenic,in-vitro FEABMO CC(=O)N1CCC([N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccc(C)cc4[nH]3)C2)CC1 ZINC000096112297 542991929 /nfs/dbraw/zinc/99/19/29/542991929.db2.gz PQUNSWUECODTGS-APWZRJJASA-N 1 1 374.460 2.421 40 0 biogenic,in-vitro FEABMO CC(=O)N1CCC([N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccc(C)cc4[nH]3)C2)CC1 ZINC000096112297 542991932 /nfs/dbraw/zinc/99/19/32/542991932.db2.gz PQUNSWUECODTGS-APWZRJJASA-N 1 1 374.460 2.421 40 0 biogenic,in-vitro FEABMO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(C)nc3C2)cc1Cn1cccn1 ZINC000019576589 263374636 /nfs/dbraw/zinc/37/46/36/263374636.db2.gz PAIJPEYJXARDNF-UHFFFAOYSA-N 1 1 365.437 2.302 40 0 FEABMO C[N@H+]1CCN(C(=O)c2cccnn2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257279860 523882993 /nfs/dbraw/zinc/88/29/93/523882993.db2.gz OIMGSJZRXGAPFL-INIZCTEOSA-N 1 1 361.449 2.271 40 0 FEABMO O=C(Cc1ccccc1)N1CCC(CC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000019745339 527276430 /nfs/dbraw/zinc/27/64/30/527276430.db2.gz FJCYHBYVCHLSOY-FQEVSTJZSA-N 1 1 369.509 2.164 40 0 FEABMO Cc1ncoc1C(=O)N1CC2(C1)CC[C@@H](C[N@H+](C)Cc1cccnc1)CO2 ZINC000248099935 549407250 /nfs/dbraw/zinc/40/72/50/549407250.db2.gz HJGOUNYDHRENSL-KRWDZBQOSA-N 1 1 370.453 2.131 40 0 FEABMO C[C@H]1c2nc(CC(=O)NCc3cccnc3)cn2CC[N@@H+]1C1CCCC1 ZINC000253590951 549696328 /nfs/dbraw/zinc/69/63/28/549696328.db2.gz HVOGJUQMSHOJPW-HNNXBMFYSA-N 1 1 353.470 2.456 40 0 FEABMO C[C@H]1c2nc(CC(=O)NCc3cccnc3)cn2CC[N@H+]1C1CCCC1 ZINC000253590951 549696332 /nfs/dbraw/zinc/69/63/32/549696332.db2.gz HVOGJUQMSHOJPW-HNNXBMFYSA-N 1 1 353.470 2.456 40 0 FEABMO CC(=O)N1CC[C@H]2[C@@H](C[C@](C)(CO)[N@H+]2CC2=Cc3ccccc3OC2)C1 ZINC000257254148 549721713 /nfs/dbraw/zinc/72/17/13/549721713.db2.gz KBWFOKAMKJEGIM-IRFCIJBXSA-N 1 1 356.466 2.156 40 0 FEABMO C[C@@H]1C[N@H+](Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)CC[C@H]1O ZINC000257343985 549728459 /nfs/dbraw/zinc/72/84/59/549728459.db2.gz ZVGKDHDIGHVFJB-CXAGYDPISA-N 1 1 351.410 2.396 40 0 FEABMO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)CC[C@H]1O ZINC000257343985 549728465 /nfs/dbraw/zinc/72/84/65/549728465.db2.gz ZVGKDHDIGHVFJB-CXAGYDPISA-N 1 1 351.410 2.396 40 0 FEABMO Cc1cccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@@H]3C2)c1 ZINC000306124653 553748269 /nfs/dbraw/zinc/74/82/69/553748269.db2.gz BVUPKIIQCOLVGR-IRXDYDNUSA-N 1 1 353.470 2.029 40 0 FEABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@@H+](C3CCC3)C[C@@H]1C2 ZINC000306124511 553748421 /nfs/dbraw/zinc/74/84/21/553748421.db2.gz BSANGJCGIMKUFF-STQMWFEESA-N 1 1 355.417 2.326 40 0 FEABMO CC(C)NC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2nccs2)CC1 ZINC000306126021 553748734 /nfs/dbraw/zinc/74/87/34/553748734.db2.gz DJQJDEDFOJLTKD-UHFFFAOYSA-N 1 1 374.514 2.101 40 0 FEABMO O=C1N(CC2CC2)CCO[C@@]12C[N@@H+](Cc1ccco1)C[C@@H]2c1cccnc1 ZINC000306132627 553749546 /nfs/dbraw/zinc/74/95/46/553749546.db2.gz LOBCSSATWOCYEZ-TZIWHRDSSA-N 1 1 367.449 2.282 40 0 FEABMO CC(C)C[N@H+]1C[C@H](c2cn(C)cn2)[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC000306134735 553749649 /nfs/dbraw/zinc/74/96/49/553749649.db2.gz NWNHERGUEBCHFA-WIYYLYMNSA-N 1 1 367.497 2.289 40 0 FEABMO COCCNC(=O)c1ncn2c1nccc2[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000306134001 553749971 /nfs/dbraw/zinc/74/99/71/553749971.db2.gz NBLADSYRPZRMTD-INIZCTEOSA-N 1 1 371.485 2.085 40 0 FEABMO Cn1cnc([C@H]2C[N@@H+](Cc3ccco3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136019 553750618 /nfs/dbraw/zinc/75/06/18/553750618.db2.gz PGTAOGKHBYFQAV-XLIONFOSSA-N 1 1 354.454 2.241 40 0 FEABMO Cn1cnc([C@@H]2C[N@@H+](Cc3ccco3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136018 553750653 /nfs/dbraw/zinc/75/06/53/553750653.db2.gz PGTAOGKHBYFQAV-PXNSSMCTSA-N 1 1 354.454 2.241 40 0 FEABMO CNC(=O)[C@]1(C)CCC[N@@H+](CC2(O)CCN(c3ccccc3F)CC2)C1 ZINC000585282259 570492512 /nfs/dbraw/zinc/49/25/12/570492512.db2.gz CFASPODMPSOTQZ-LJQANCHMSA-N 1 1 363.477 2.005 40 0 FEABMO O=S(=O)(NCC[C@H]1Cn2cccc2C[N@H+](C2CCCC2)C1)C1CC1 ZINC000585095511 571220085 /nfs/dbraw/zinc/22/00/85/571220085.db2.gz UUNICPIICQGUEV-HNNXBMFYSA-N 1 1 351.516 2.334 40 0 FEABMO COCC[N@H+]1C[C@H](COC)C2(C1)CCN(C(=O)c1ccccc1F)CC2 ZINC000585103866 571222700 /nfs/dbraw/zinc/22/27/00/571222700.db2.gz SKTBPRIWOYXQGR-MRXNPFEDSA-N 1 1 364.461 2.273 40 0 FEABMO CCCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000585106198 571224561 /nfs/dbraw/zinc/22/45/61/571224561.db2.gz BQPZBJBRTRYIPM-MOPGFXCFSA-N 1 1 369.509 2.448 40 0 FEABMO CSc1nnc([C@H]2CCC[N@H+](CC(=O)N3CCCCCC3)C2)n1C ZINC000005001462 539399803 /nfs/dbraw/zinc/39/98/03/539399803.db2.gz XNYJFTXUMVTUNF-AWEZNQCLSA-N 1 1 351.520 2.119 40 0 FEABMO CSc1nnc([C@H]2CCC[N@@H+](CC(=O)N3CCCCCC3)C2)n1C ZINC000005001462 539399807 /nfs/dbraw/zinc/39/98/07/539399807.db2.gz XNYJFTXUMVTUNF-AWEZNQCLSA-N 1 1 351.520 2.119 40 0 FEABMO CCc1[nH+]ccn1CC(=O)N(C)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257330766 210000774 /nfs/dbraw/zinc/00/07/74/210000774.db2.gz XPWIACCWNJIPCF-UWVAXJGDSA-N 1 1 357.454 2.265 40 0 FEABMO Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc1Cl ZINC000019214409 539652199 /nfs/dbraw/zinc/65/21/99/539652199.db2.gz IVRGLVBQTOAEGU-UHFFFAOYSA-N 1 1 371.934 2.049 40 0 FEABMO Cc1cn(CC(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)nn1 ZINC000019238766 539653426 /nfs/dbraw/zinc/65/34/26/539653426.db2.gz SOSNYPXDMYFXSO-ZVDOUQERSA-N 1 1 367.497 2.456 40 0 FEABMO C[C@H](CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2)n1cccn1 ZINC000019455327 539657551 /nfs/dbraw/zinc/65/75/51/539657551.db2.gz STXWLTPUALOHSZ-CRAIPNDOSA-N 1 1 368.485 2.366 40 0 FEABMO Cc1ccnn1CCC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019238464 539653664 /nfs/dbraw/zinc/65/36/64/539653664.db2.gz XJOKCOHXJNLMPC-GOSISDBHSA-N 1 1 368.485 2.113 40 0 FEABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)CC4CCCC4)C3)[nH]c(=O)c2C1 ZINC000019590230 539662963 /nfs/dbraw/zinc/66/29/63/539662963.db2.gz HYONWHANIUOWOD-HNNXBMFYSA-N 1 1 358.486 2.456 40 0 FEABMO COCc1cc(=O)[nH]c([C@@H]2CCC[N@@H+](Cc3cccc(OC)c3OC)C2)n1 ZINC000019594319 539663013 /nfs/dbraw/zinc/66/30/13/539663013.db2.gz ACESBYBCWNQSTQ-OAHLLOKOSA-N 1 1 373.453 2.313 40 0 FEABMO Cc1nonc1NC(=O)C[N@@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019654526 539663994 /nfs/dbraw/zinc/66/39/94/539663994.db2.gz JTNZTCNVYPQFJA-ZDUSSCGKSA-N 1 1 354.414 2.148 40 0 FEABMO Cc1nonc1NC(=O)C[N@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019654526 539663997 /nfs/dbraw/zinc/66/39/97/539663997.db2.gz JTNZTCNVYPQFJA-ZDUSSCGKSA-N 1 1 354.414 2.148 40 0 FEABMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000019715549 539667180 /nfs/dbraw/zinc/66/71/80/539667180.db2.gz UTKVKKGWIJLTMY-OAHLLOKOSA-N 1 1 369.469 2.348 40 0 FEABMO CCN1CC[NH+](C[C@H](O)COc2ccc(OC)cc2C(C)(C)C)CC1 ZINC000022870443 539701856 /nfs/dbraw/zinc/70/18/56/539701856.db2.gz SCZRCVYAWGCTDO-INIZCTEOSA-N 1 1 350.503 2.370 40 0 FEABMO Cc1nc(Nc2cc([C@H]3CC[N@@H+](CC(=O)N(C)C)C3)nc(C)n2)sc1C ZINC000257252180 223039334 /nfs/dbraw/zinc/03/93/34/223039334.db2.gz JTVBDDRBMKDSOP-AWEZNQCLSA-N 1 1 374.514 2.479 40 0 FEABMO Cc1nc(Nc2cc([C@H]3CC[N@H+](CC(=O)N(C)C)C3)nc(C)n2)sc1C ZINC000257252180 223039337 /nfs/dbraw/zinc/03/93/37/223039337.db2.gz JTVBDDRBMKDSOP-AWEZNQCLSA-N 1 1 374.514 2.479 40 0 FEABMO COc1cc2c(cc1O)[C@@]1(Cc3ccc4c(c3[C@H]1O)OCO4)[N@H+](C)CC2 ZINC000001624081 209392559 /nfs/dbraw/zinc/39/25/59/209392559.db2.gz YUIGSRGRYOBFRF-WOJBJXKFSA-N 1 1 355.390 2.102 40 0 biogenic,in-vitro FEABMO COc1cc2c(cc1O)[C@@]1(Cc3ccc4c(c3[C@H]1O)OCO4)[N@@H+](C)CC2 ZINC000001624081 209392562 /nfs/dbraw/zinc/39/25/62/209392562.db2.gz YUIGSRGRYOBFRF-WOJBJXKFSA-N 1 1 355.390 2.102 40 0 biogenic,in-vitro FEABMO OCC1CCC([NH2+]C2(Cc3cc(CN4CCCCC4)on3)COC2)CC1 ZINC000067898438 541526539 /nfs/dbraw/zinc/52/65/39/541526539.db2.gz MBIGCGKIWPYRLM-UHFFFAOYSA-N 1 1 363.502 2.113 40 0 biogenic,in-vitro FEABMO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CC[N@@H+](C[C@@H]1CCOC1)C3 ZINC000100182221 209210657 /nfs/dbraw/zinc/21/06/57/209210657.db2.gz RFYDAUGPZYQNIN-ZDUSSCGKSA-N 1 1 354.410 2.398 40 0 FEABMO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000072227055 541796370 /nfs/dbraw/zinc/79/63/70/541796370.db2.gz KJJDYJHIWZQYRS-MOPGFXCFSA-N 1 1 372.421 2.132 40 0 FEABMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3nccnc3-n3ccnc3C)C2)CC1 ZINC000072350687 541801340 /nfs/dbraw/zinc/80/13/40/541801340.db2.gz OMECVYPFSQHTCF-QGZVFWFLSA-N 1 1 368.485 2.161 40 0 FEABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@H]32)c(OC)n1 ZINC000072392572 541804239 /nfs/dbraw/zinc/80/42/39/541804239.db2.gz YLROVVHGNKVVAL-JNAXZKDPSA-N 1 1 373.428 2.363 40 0 FEABMO Cc1ccccc1C(=O)N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCOCC1)O2 ZINC000096209202 209135533 /nfs/dbraw/zinc/13/55/33/209135533.db2.gz VWSPOMFSBYWYAP-GHTZIAJQSA-N 1 1 358.482 2.481 40 0 FEABMO CN(C)C(=O)COC[C@@H]1CCC[C@]12C[N@@H+](Cc1cccs1)CCO2 ZINC000096160898 209127228 /nfs/dbraw/zinc/12/72/28/209127228.db2.gz IDUSFBRRCPFZHY-YJBOKZPZSA-N 1 1 352.500 2.224 40 0 FEABMO Fc1ccc(Cn2nnnc2CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000035310877 207128440 /nfs/dbraw/zinc/12/84/40/207128440.db2.gz WRBHEPVKRFPXLX-UHFFFAOYSA-N 1 1 366.444 2.178 40 0 FEABMO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)c1 ZINC000035425104 207155685 /nfs/dbraw/zinc/15/56/85/207155685.db2.gz XPWANJCFCJXZQG-KRWDZBQOSA-N 1 1 374.441 2.473 40 0 biogenic,in-vitro FEABMO COc1ccc(CN2C(=O)CO[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000067897204 207261424 /nfs/dbraw/zinc/26/14/24/207261424.db2.gz KAHTWLLHEPWUDE-UXHICEINSA-N 1 1 352.434 2.307 40 0 biogenic,in-vitro FEABMO O=C1CO[C@H]2C[N@@H+](Cc3c[nH]c4ccccc34)C[C@H]2N1Cc1ccccn1 ZINC000067897152 207262769 /nfs/dbraw/zinc/26/27/69/207262769.db2.gz IKCLITWZIWKTAE-UXHICEINSA-N 1 1 362.433 2.175 40 0 biogenic,in-vitro FEABMO Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)s1 ZINC000096058303 209105289 /nfs/dbraw/zinc/10/52/89/209105289.db2.gz MSSOOEMBQIXROV-IXDOHACOSA-N 1 1 350.484 2.447 40 0 FEABMO CNc1nccnc1C[C@@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000257294633 533088530 /nfs/dbraw/zinc/08/85/30/533088530.db2.gz QUZUDEHZUUAIGJ-KRWDZBQOSA-N 1 1 356.470 2.344 40 0 FEABMO CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CC[N@@H+](Cc1ccoc1)C2 ZINC000096050476 209102329 /nfs/dbraw/zinc/10/23/29/209102329.db2.gz RLJOCZYQVNBDDK-GOSISDBHSA-N 1 1 359.451 2.181 40 0 FEABMO O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2O1 ZINC000096042954 209098309 /nfs/dbraw/zinc/09/83/09/209098309.db2.gz MWSUBNRODVMWIK-SLFFLAALSA-N 1 1 358.482 2.209 40 0 FEABMO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccco3)C[C@@H]2O1 ZINC000096041060 209097910 /nfs/dbraw/zinc/09/79/10/209097910.db2.gz WSVMSEOPKJGMPP-SNRMKQJTSA-N 1 1 355.438 2.013 40 0 FEABMO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccco3)C[C@@H]2O1 ZINC000096041060 209097915 /nfs/dbraw/zinc/09/79/15/209097915.db2.gz WSVMSEOPKJGMPP-SNRMKQJTSA-N 1 1 355.438 2.013 40 0 FEABMO Cc1cccc(N2CCOC[C@]3(CN(c4ccc(F)cc4)C(=O)CO3)C2)[nH+]1 ZINC000096240125 132223610 /nfs/dbraw/zinc/22/36/10/132223610.db2.gz LHZZXUURNPGINT-HXUWFJFHSA-N 1 1 371.412 2.168 40 0 FEABMO Cc1cccc(N2CCOC[C@@]3(CN(c4ccc(F)cc4)C(=O)CO3)C2)[nH+]1 ZINC000096240126 132223737 /nfs/dbraw/zinc/22/37/37/132223737.db2.gz LHZZXUURNPGINT-FQEVSTJZSA-N 1 1 371.412 2.168 40 0 FEABMO Fc1ccc(C[N@H+]2C[C@H]3Cc4cnc(N5CCOCC5)nc4[C@@H]3C2)cc1 ZINC000306138799 132301756 /nfs/dbraw/zinc/30/17/56/132301756.db2.gz SHSWCXOFZHSZIQ-SJLPKXTDSA-N 1 1 354.429 2.224 40 0 FEABMO CN(C)c1nc2c(c(N3CCC[C@H](O)C3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC000072335700 136144523 /nfs/dbraw/zinc/14/45/23/136144523.db2.gz KJKVZDKEJNPUBR-KRWDZBQOSA-N 1 1 367.497 2.062 40 0 FEABMO CN(C)c1nc2c(c(N3CCC[C@H](O)C3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000072335700 136144524 /nfs/dbraw/zinc/14/45/24/136144524.db2.gz KJKVZDKEJNPUBR-KRWDZBQOSA-N 1 1 367.497 2.062 40 0 FEABMO CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000247540187 549352317 /nfs/dbraw/zinc/35/23/17/549352317.db2.gz SBCLPCGVKDQZDE-OLZOCXBDSA-N 1 1 358.891 2.354 40 0 FEABMO CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000247540187 549352321 /nfs/dbraw/zinc/35/23/21/549352321.db2.gz SBCLPCGVKDQZDE-OLZOCXBDSA-N 1 1 358.891 2.354 40 0 FEABMO C[N@H+]1CCN(C(=O)c2cccnn2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257279861 523882455 /nfs/dbraw/zinc/88/24/55/523882455.db2.gz OIMGSJZRXGAPFL-MRXNPFEDSA-N 1 1 361.449 2.271 40 0 FEABMO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000096230459 536330990 /nfs/dbraw/zinc/33/09/90/536330990.db2.gz LTKZJKKEDBURKR-FQEVSTJZSA-N 1 1 354.429 2.144 40 0 FEABMO COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(Cc1cnn(C(C)C)c1)CC2 ZINC000247972651 549396405 /nfs/dbraw/zinc/39/64/05/549396405.db2.gz DPINDPJAPYVNIK-LJQANCHMSA-N 1 1 364.534 2.271 40 0 FEABMO COCC[N@H+]1C[C@H](COC)C2(C1)CCN(Cc1cnn(C(C)C)c1)CC2 ZINC000247972651 549396409 /nfs/dbraw/zinc/39/64/09/549396409.db2.gz DPINDPJAPYVNIK-LJQANCHMSA-N 1 1 364.534 2.271 40 0 FEABMO COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)NC(C)C)CCN3C(C)(C)C2)cc1 ZINC000253401570 549686464 /nfs/dbraw/zinc/68/64/64/549686464.db2.gz NHPKYLDTKDRAKD-GOSISDBHSA-N 1 1 374.529 2.394 40 0 biogenic,in-vitro FEABMO COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(C(=O)c4ccnc(C)n4)C[C@@H]32)cc1 ZINC000257207602 549717764 /nfs/dbraw/zinc/71/77/64/549717764.db2.gz BILKCZIFZJQBDJ-QWFCFKBJSA-N 1 1 366.465 2.354 40 0 FEABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](Cc2nccnc2NC)C1 ZINC000257218983 549718974 /nfs/dbraw/zinc/71/89/74/549718974.db2.gz DFCZGRCZRNHXDY-HNNXBMFYSA-N 1 1 356.474 2.149 40 0 FEABMO c1c[nH]c(C[NH+]2CCC(Cc3cc(Nc4cnccn4)ncn3)CC2)n1 ZINC000257238169 549720859 /nfs/dbraw/zinc/72/08/59/549720859.db2.gz HJWCSMIZYTWKPL-UHFFFAOYSA-N 1 1 350.430 2.188 40 0 FEABMO Cn1cnc(C(=O)N2CC[N@@H+](C)C[C@H](Cc3cncc4ccccc43)C2)c1 ZINC000257257940 549721657 /nfs/dbraw/zinc/72/16/57/549721657.db2.gz KRSGFPITHKZTDT-INIZCTEOSA-N 1 1 363.465 2.215 40 0 FEABMO Cc1ncc(C[NH+](C)C)c([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1 ZINC000257274492 549722868 /nfs/dbraw/zinc/72/28/68/549722868.db2.gz NLHBETXXUBXPGH-INIZCTEOSA-N 1 1 354.458 2.036 40 0 FEABMO Cc1noc(C)c1C(=O)N1CCO[C@@H](CCc2cc[nH+]c(N(C)C)c2)C1 ZINC000257300106 549725218 /nfs/dbraw/zinc/72/52/18/549725218.db2.gz RSYAWOWOLQDRBL-INIZCTEOSA-N 1 1 358.442 2.226 40 0 FEABMO CCCCOc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 ZINC000257291916 549725374 /nfs/dbraw/zinc/72/53/74/549725374.db2.gz QJFSHXAUCGTVRC-ICSRJNTNSA-N 1 1 362.470 2.420 40 0 FEABMO CCCCOc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 ZINC000257291916 549725380 /nfs/dbraw/zinc/72/53/80/549725380.db2.gz QJFSHXAUCGTVRC-ICSRJNTNSA-N 1 1 362.470 2.420 40 0 FEABMO Cc1c(C[N@H+]2CCc3c(=O)[nH]c(N4CCC[C@@H](C)C4)nc3C2)cnn1C ZINC000257339417 549729018 /nfs/dbraw/zinc/72/90/18/549729018.db2.gz ZBQGMYGADRQWEP-CYBMUJFWSA-N 1 1 356.474 2.019 40 0 FEABMO Cc1c(C[N@@H+]2CCc3c(=O)[nH]c(N4CCC[C@@H](C)C4)nc3C2)cnn1C ZINC000257339417 549729020 /nfs/dbraw/zinc/72/90/20/549729020.db2.gz ZBQGMYGADRQWEP-CYBMUJFWSA-N 1 1 356.474 2.019 40 0 FEABMO O=C(NC[C@H]1CO[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]12)C1CC(F)(F)C1 ZINC000306128244 553748880 /nfs/dbraw/zinc/74/88/80/553748880.db2.gz GVBOJYNJOKNULC-ZMSDIMECSA-N 1 1 368.399 2.434 40 0 FEABMO Cc1ccc(C[N@@H+]2C[C@H](c3ccnn3C(C)C)[C@@]3(C2)OCCNC3=O)cc1 ZINC000306127386 553749032 /nfs/dbraw/zinc/74/90/32/553749032.db2.gz FXHIXNCQFKPSSU-WIYYLYMNSA-N 1 1 368.481 2.257 40 0 FEABMO CC(=O)N[C@H]1CCCC[C@@]12C[N@H+](Cc1ccc3c(c1)OCCO3)CCO2 ZINC000306130070 553749228 /nfs/dbraw/zinc/74/92/28/553749228.db2.gz IVTBRCKLRZXBBQ-VQTJNVASSA-N 1 1 360.454 2.108 40 0 FEABMO CC(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1ccc3c(c1)OCCO3)CCO2 ZINC000306130070 553749230 /nfs/dbraw/zinc/74/92/30/553749230.db2.gz IVTBRCKLRZXBBQ-VQTJNVASSA-N 1 1 360.454 2.108 40 0 FEABMO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccccn3)C[C@@H]1C2 ZINC000306124908 553749243 /nfs/dbraw/zinc/74/92/43/553749243.db2.gz CBYLNNKMCSGWQL-JKSUJKDBSA-N 1 1 374.448 2.230 40 0 FEABMO CS(=O)(=O)N1C[C@@]2(CC[N@H+](Cc3cccc(F)c3)C2)c2ncccc21 ZINC000306132553 553749422 /nfs/dbraw/zinc/74/94/22/553749422.db2.gz LLYRZCWYRMSLCS-SFHVURJKSA-N 1 1 361.442 2.144 40 0 FEABMO CS(=O)(=O)N1C[C@@]2(CC[N@@H+](Cc3cccc(F)c3)C2)c2ncccc21 ZINC000306132553 553749425 /nfs/dbraw/zinc/74/94/25/553749425.db2.gz LLYRZCWYRMSLCS-SFHVURJKSA-N 1 1 361.442 2.144 40 0 FEABMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(Cc2cccs2)C(=O)c2cccn23)cn1 ZINC000306138074 553750223 /nfs/dbraw/zinc/75/02/23/553750223.db2.gz ROLAFCQEWRKGBT-QZTJIDSGSA-N 1 1 367.478 2.365 40 0 FEABMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](C2)N(Cc2cccs2)C(=O)c2cccn23)cn1 ZINC000306138074 553750225 /nfs/dbraw/zinc/75/02/25/553750225.db2.gz ROLAFCQEWRKGBT-QZTJIDSGSA-N 1 1 367.478 2.365 40 0 FEABMO O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccccc3Cl)C[C@@H]1C2 ZINC000306144921 553751182 /nfs/dbraw/zinc/75/11/82/553751182.db2.gz ZSFOYVSJPUMEGN-KBPBESRZSA-N 1 1 371.872 2.128 40 0 FEABMO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](CCC(C)C)CC[C@@]1(C)O ZINC000514289844 560031760 /nfs/dbraw/zinc/03/17/60/560031760.db2.gz JWIPCXFNHZMTOZ-OKZBNKHCSA-N 1 1 354.516 2.423 40 0 biogenic,in-vitro FEABMO C[N@H+](Cc1cccc(CN2CCOCC2)c1)C[C@H](O)COc1ccccc1 ZINC000585274648 570487306 /nfs/dbraw/zinc/48/73/06/570487306.db2.gz ZESHCWYUYRXNTK-NRFANRHFSA-N 1 1 370.493 2.391 40 0 FEABMO C[N@H+](Cc1cccc(CN2CCOCC2)c1)C[C@@H](O)COc1ccccc1 ZINC000585274651 570487542 /nfs/dbraw/zinc/48/75/42/570487542.db2.gz ZESHCWYUYRXNTK-OAQYLSRUSA-N 1 1 370.493 2.391 40 0 FEABMO O=C(C[N@H+]1CCC[C@@](O)(COc2ccccc2)C1)NCCc1ccccc1 ZINC000585274732 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373.497 2.159 40 0 FEABMO COc1ccc(CC(=O)NCc2cnc(C)nc2[C@@H]2CCC[N@H+]2C)cc1 ZINC000257297811 549725241 /nfs/dbraw/zinc/72/52/41/549725241.db2.gz RIWMFQRQWUWIDF-SFHVURJKSA-N 1 1 354.454 2.419 40 0 FEABMO Cc1cncc(C2CCN(C(=O)CC[N@H+](C)Cc3ccccn3)CC2)n1 ZINC000257307439 549726864 /nfs/dbraw/zinc/72/68/64/549726864.db2.gz SYQGZKWQGWOWQD-UHFFFAOYSA-N 1 1 353.470 2.408 40 0 FEABMO Cc1nc(Nc2ncccn2)cc([C@H]2CCC[N@H+](Cc3ccnn3C)C2)n1 ZINC000257324382 549727548 /nfs/dbraw/zinc/72/75/48/549727548.db2.gz WOLWUQJNFKUUFC-HNNXBMFYSA-N 1 1 364.457 2.432 40 0 FEABMO CCc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)cc1 ZINC000306127684 553749214 /nfs/dbraw/zinc/74/92/14/553749214.db2.gz GETASFKCPCGMSS-IRXDYDNUSA-N 1 1 365.481 2.037 40 0 FEABMO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@@H]3C2)c1 ZINC000306135045 553749468 /nfs/dbraw/zinc/74/94/68/553749468.db2.gz OFVJCIBJKSYYDR-ROUUACIJSA-N 1 1 367.497 2.337 40 0 FEABMO Cn1cnc([C@H]2C[N@@H+](Cc3ccco3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136020 553750376 /nfs/dbraw/zinc/75/03/76/553750376.db2.gz PGTAOGKHBYFQAV-YLJYHZDGSA-N 1 1 354.454 2.241 40 0 FEABMO CC(C)C[N@H+]1CC[C@@H]2Cn3c(nn(CC4CCCCC4)c(=O)c3=O)[C@@H]2C1 ZINC000306143454 553750948 /nfs/dbraw/zinc/75/09/48/553750948.db2.gz YCRWBSLOEXSKHO-IAGOWNOFSA-N 1 1 360.502 2.060 40 0 FEABMO C[NH+](C)CCCNc1nc(NCc2cc(F)cc(F)c2)cc(C2CC2)n1 ZINC000328955308 553852577 /nfs/dbraw/zinc/85/25/77/553852577.db2.gz ABLQCTCQIIBMHH-UHFFFAOYSA-N 1 1 361.440 2.452 40 0 FEABMO OCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000585267903 570483071 /nfs/dbraw/zinc/48/30/71/570483071.db2.gz UMJLYFIIYNNFFK-OALUTQOASA-N 1 1 363.841 2.335 40 0 FEABMO CCc1[nH]c(CN2CCOC[C@@](O)(COc3cccc(C)c3)C2)c(C)[nH+]1 ZINC000585278582 570490649 /nfs/dbraw/zinc/49/06/49/570490649.db2.gz UUXGGAICGMLBJD-HXUWFJFHSA-N 1 1 359.470 2.231 40 0 FEABMO CNC(=O)[C@@]1(C)CCC[N@@H+](CC2(O)CCN(c3ccccc3F)CC2)C1 ZINC000585282256 570492615 /nfs/dbraw/zinc/49/26/15/570492615.db2.gz CFASPODMPSOTQZ-IBGZPJMESA-N 1 1 363.477 2.005 40 0 FEABMO C[C@@H]1Cc2nnc(COc3cccnc3)n2CC[N@H+]1Cc1cccnc1 ZINC000585097508 571220550 /nfs/dbraw/zinc/22/05/50/571220550.db2.gz KOPCBZRZCXCLKI-OAHLLOKOSA-N 1 1 350.426 2.094 40 0 FEABMO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CC[C@@H](O)C4)C3)CC2)cc1 ZINC000585103589 571222478 /nfs/dbraw/zinc/22/24/78/571222478.db2.gz HNEUMEMGYIVLCC-RTBURBONSA-N 1 1 358.482 2.073 40 0 FEABMO CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1cc(C)on1)CC2 ZINC000585103621 571222717 /nfs/dbraw/zinc/22/27/17/571222717.db2.gz PXXGUBVKQAAOCV-SFHVURJKSA-N 1 1 361.486 2.470 40 0 FEABMO COc1cc2c(cc1OC)[C@]1(Cc3ccc4c(c3[C@H]1O)OCO4)[N@@H+](C)CC2 ZINC000000898541 539334945 /nfs/dbraw/zinc/33/49/45/539334945.db2.gz QDNMFIYGVRUVCE-RTWAWAEBSA-N 1 1 369.417 2.405 40 0 biogenic,in-vitro FEABMO COc1ccc(C(=O)NC2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1 ZINC000004909705 539395770 /nfs/dbraw/zinc/39/57/70/539395770.db2.gz UPILJERJAIOGHK-UHFFFAOYSA-N 1 1 373.497 2.292 40 0 FEABMO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1nccn1C)C2 ZINC000012114571 539544015 /nfs/dbraw/zinc/54/40/15/539544015.db2.gz PRDGNQMJFHRNEA-BXVXDWSXSA-N 1 1 360.502 2.026 40 0 FEABMO CC1=CC2=NC(=O)C[C@](C)(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)N2C=C1 ZINC000012205144 539549818 /nfs/dbraw/zinc/54/98/18/539549818.db2.gz BBDADGHXQMSZFR-LLGFUMIMSA-N 1 1 372.513 2.334 40 0 FEABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)ncc2C1 ZINC000019018415 539650423 /nfs/dbraw/zinc/65/04/23/539650423.db2.gz MGYKYQHYYIUXKX-MRXNPFEDSA-N 1 1 351.454 2.156 40 0 FEABMO O=C1CCOC[C@]2(C[N@H+](Cc3cccnc3)C[C@H]2c2ccc(F)c(F)c2)N1 ZINC000019339620 539654691 /nfs/dbraw/zinc/65/46/91/539654691.db2.gz OWCIYSFGSQDXKZ-JXFKEZNVSA-N 1 1 373.403 2.235 40 0 FEABMO Cc1[nH+]ccn1CCCC(=O)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000019288102 539655133 /nfs/dbraw/zinc/65/51/33/539655133.db2.gz KVBQFSDLYNBOKA-UHFFFAOYSA-N 1 1 358.417 2.095 40 0 FEABMO Cn1nc(C2CC2)cc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019288823 539655291 /nfs/dbraw/zinc/65/52/91/539655291.db2.gz SWTKIMAKXWVTPA-KRWDZBQOSA-N 1 1 366.469 2.053 40 0 FEABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019500628 539658327 /nfs/dbraw/zinc/65/83/27/539658327.db2.gz UCLJJCHTVUKJLV-OALUTQOASA-N 1 1 370.501 2.121 40 0 FEABMO COc1ccccc1C[N@@H+]1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1 ZINC000019570646 539660775 /nfs/dbraw/zinc/66/07/75/539660775.db2.gz KAKMMFDJUYRXGS-UHFFFAOYSA-N 1 1 354.454 2.327 40 0 FEABMO COc1ccccc1C[N@H+]1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1 ZINC000019570646 539660778 /nfs/dbraw/zinc/66/07/78/539660778.db2.gz KAKMMFDJUYRXGS-UHFFFAOYSA-N 1 1 354.454 2.327 40 0 FEABMO C=Cn1ncc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2Cc2ccccc2)c1C ZINC000019554394 539661143 /nfs/dbraw/zinc/66/11/43/539661143.db2.gz UDJHKXNPDSNIHX-QHAWAJNXSA-N 1 1 352.482 2.154 40 0 FEABMO COCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3cccc(OC)c3)C2)no1 ZINC000019593546 539662851 /nfs/dbraw/zinc/66/28/51/539662851.db2.gz CFCPBSXIWHOMAC-INIZCTEOSA-N 1 1 373.453 2.439 40 0 FEABMO CC(=O)N[C@H]1CN(Cc2ccnc3ccccc23)C2(C1)CC[NH+](C)CC2 ZINC000019704048 539666222 /nfs/dbraw/zinc/66/62/22/539666222.db2.gz OUKMDLAENQXRID-GOSISDBHSA-N 1 1 352.482 2.410 40 0 FEABMO CC(=O)N1CCC[C@@H](c2nnc3n2CC[N@@H+](Cc2ccccc2F)CC3)C1 ZINC000019709549 539666226 /nfs/dbraw/zinc/66/62/26/539666226.db2.gz AEKLYGWHJVDUIM-QGZVFWFLSA-N 1 1 371.460 2.201 40 0 FEABMO CC(=O)N1CCC[C@@H](c2nnc3n2CC[N@H+](Cc2ccccc2F)CC3)C1 ZINC000019709549 539666229 /nfs/dbraw/zinc/66/62/29/539666229.db2.gz AEKLYGWHJVDUIM-QGZVFWFLSA-N 1 1 371.460 2.201 40 0 FEABMO CC(=O)N1CCC[C@H](c2nnc3n2CC[N@H+](Cc2ccccc2C)CC3)C1 ZINC000019709481 539666352 /nfs/dbraw/zinc/66/63/52/539666352.db2.gz ZUOHMHIISLYWNH-IBGZPJMESA-N 1 1 367.497 2.371 40 0 FEABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)ncc2C1 ZINC000019590433 539663556 /nfs/dbraw/zinc/66/35/56/539663556.db2.gz IMUMHICZDKEFDD-AWEZNQCLSA-N 1 1 367.453 2.350 40 0 FEABMO C[NH+]1CCN([C@@H](c2nnnn2CCc2ccccc2)c2ccccc2)CC1 ZINC000019589916 209609335 /nfs/dbraw/zinc/60/93/35/209609335.db2.gz RNOQCEXAALXXRZ-HXUWFJFHSA-N 1 1 362.481 2.253 40 0 FEABMO Cc1nc2ccccc2n1CC(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257252030 223037737 /nfs/dbraw/zinc/03/77/37/223037737.db2.gz JTHAYYVKECBLPS-QWFCFKBJSA-N 1 1 367.453 2.073 40 0 FEABMO CCOC(=O)c1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000056264830 540714047 /nfs/dbraw/zinc/71/40/47/540714047.db2.gz VWIUYOYROVDITO-UHFFFAOYSA-N 1 1 366.483 2.112 40 0 FEABMO Cn1nccc1C[N@H+]1CC[C@@]2(CCC[C@H]2C(=O)NC2CC(F)(F)C2)C1 ZINC000108532886 209288799 /nfs/dbraw/zinc/28/87/99/209288799.db2.gz PAAPQWNEJHDVMJ-RDJZCZTQSA-N 1 1 352.429 2.326 40 0 FEABMO Cn1nccc1C[N@H+]1CCC[C@@]2(CCN(CC3CCOCC3)C2=O)CC1 ZINC000108525073 209288276 /nfs/dbraw/zinc/28/82/76/209288276.db2.gz JGOSBOSKOZGXLR-FQEVSTJZSA-N 1 1 360.502 2.051 40 0 FEABMO C[C@H]1CCCC[N@H+]1CC(=O)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373069 541802140 /nfs/dbraw/zinc/80/21/40/541802140.db2.gz PGKPIPGUSCGULC-IRXDYDNUSA-N 1 1 372.513 2.160 40 0 FEABMO Cc1ccc(Nc2nccc([C@H]3CCC[N@@H+](CC(=O)N(C)C)C3)n2)nc1 ZINC000072377911 541802805 /nfs/dbraw/zinc/80/28/05/541802805.db2.gz ZTZNQVZFDLQOQH-HNNXBMFYSA-N 1 1 354.458 2.191 40 0 FEABMO Cc1ccc(Nc2nccc([C@H]3CCC[N@H+](CC(=O)N(C)C)C3)n2)nc1 ZINC000072377911 541802809 /nfs/dbraw/zinc/80/28/09/541802809.db2.gz ZTZNQVZFDLQOQH-HNNXBMFYSA-N 1 1 354.458 2.191 40 0 FEABMO Cc1ccc(CC(=O)N2CCC[C@H]2c2nnc3n2CC[N@H+](C)C3)cc1C ZINC000072373931 541802990 /nfs/dbraw/zinc/80/29/90/541802990.db2.gz FSOHSIKEACFVGA-KRWDZBQOSA-N 1 1 353.470 2.247 40 0 FEABMO CC(C)[N@H+]1CCOC[C@]2(CN(C(=O)c3ccc4cc[nH]c4c3)CCO2)C1 ZINC000096228902 209140375 /nfs/dbraw/zinc/14/03/75/209140375.db2.gz JLSNROKNIREKIS-HXUWFJFHSA-N 1 1 357.454 2.120 40 0 FEABMO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCN(C(=O)N3CCOCC3)C2)C1 ZINC000096216104 209135930 /nfs/dbraw/zinc/13/59/30/209135930.db2.gz YENDUARMUHNHTP-IBGZPJMESA-N 1 1 362.474 2.032 40 0 FEABMO O=C(C[C@]12COC[C@H]1C[N@@H+](Cc1ccco1)C2)NCCc1ccccc1 ZINC000096206688 209134794 /nfs/dbraw/zinc/13/47/94/209134794.db2.gz PBRYQNPGKKYSBK-NQIIRXRSSA-N 1 1 354.450 2.477 40 0 FEABMO Cc1nnc(C[C@@H]2OC[C@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)CC[C@H]32)o1 ZINC000096207631 209134478 /nfs/dbraw/zinc/13/44/78/209134478.db2.gz LUGKRMMVBSXUIN-INMHGKMJSA-N 1 1 357.410 2.186 40 0 FEABMO O=C(C[C@H]1C[C@H]2C[N@H+](C3CCOCC3)C[C@H]2O1)NCc1cccs1 ZINC000096208174 209134132 /nfs/dbraw/zinc/13/41/32/209134132.db2.gz NIRHCSLRLSHOSZ-YSVLISHTSA-N 1 1 350.484 2.023 40 0 FEABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000013673005 220082096 /nfs/dbraw/zinc/08/20/96/220082096.db2.gz MNEJEMCQOJMCBW-QGZVFWFLSA-N 1 1 367.515 2.443 40 0 FEABMO CO[C@H]1CCN(C(=O)c2cccc(C)n2)[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096109495 209114614 /nfs/dbraw/zinc/11/46/14/209114614.db2.gz VVVZPNFHBCOFQW-UHOSZYNNSA-N 1 1 355.438 2.345 40 0 FEABMO CC(C)C[N@H+]1CCNC(=O)C12CCN(C(=O)c1ccc3[nH]ccc3c1)CC2 ZINC000096077186 209108581 /nfs/dbraw/zinc/10/85/81/209108581.db2.gz QLICXXJLDKXAMH-UHFFFAOYSA-N 1 1 368.481 2.231 40 0 FEABMO COC(=O)C1=CO[C@@H](C)[C@@H]2C[N@H+]3CC[C@@]4(C(=O)Nc5ccccc54)[C@H]3C[C@H]12 ZINC000006066951 207127747 /nfs/dbraw/zinc/12/77/47/207127747.db2.gz JMIAZDVHNCCPDM-ZUNJVLJPSA-N 1 1 368.433 2.063 40 0 biogenic,in-vitro FEABMO C[C@@H]1C[N@H+](C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)C[C@H](C)O1 ZINC000036369528 207282551 /nfs/dbraw/zinc/28/25/51/207282551.db2.gz AGRFRTKLCPEWTJ-VERVRKFVSA-N 1 1 363.498 2.381 40 0 FEABMO COC(=O)C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000044914637 208322006 /nfs/dbraw/zinc/32/20/06/208322006.db2.gz YGNBCDJHDOAQHG-QGZVFWFLSA-N 1 1 362.445 2.449 40 0 FEABMO COc1ccc(C[N@H+]2C[C@H]3C[C@H](CNC(=O)c4cccn4C)O[C@H]3C2)cc1 ZINC000096056669 209104606 /nfs/dbraw/zinc/10/46/06/209104606.db2.gz HAUCMOQMZHWGQQ-POAQFYNOSA-N 1 1 369.465 2.053 40 0 FEABMO Cc1ccc(CN2CCO[C@]3(C2)COCC[N@H+](Cc2ccncc2)C3)o1 ZINC000096049833 209102623 /nfs/dbraw/zinc/10/26/23/209102623.db2.gz KKHDHXGDNYCBEF-HXUWFJFHSA-N 1 1 357.454 2.086 40 0 FEABMO Cc1ccc(CN2CCO[C@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)o1 ZINC000096049833 209102626 /nfs/dbraw/zinc/10/26/26/209102626.db2.gz KKHDHXGDNYCBEF-HXUWFJFHSA-N 1 1 357.454 2.086 40 0 FEABMO Cc1cccc(N2CCC3(C[C@H](NC(=O)c4ccccn4)CO3)CC2)[nH+]1 ZINC000096221085 132222615 /nfs/dbraw/zinc/22/26/15/132222615.db2.gz MPTWTYPSUGSIAC-INIZCTEOSA-N 1 1 352.438 2.343 40 0 FEABMO Cc1ccc(N2C[C@]3(COCC[N@H+](Cc4cccnc4)C3)OCC2=O)cc1 ZINC000096240093 132223622 /nfs/dbraw/zinc/22/36/22/132223622.db2.gz PCGDADGHVYHLFN-OAQYLSRUSA-N 1 1 367.449 2.024 40 0 FEABMO Cc1ccc(N2C[C@]3(COCC[N@@H+](Cc4cccnc4)C3)OCC2=O)cc1 ZINC000096240093 132223623 /nfs/dbraw/zinc/22/36/23/132223623.db2.gz PCGDADGHVYHLFN-OAQYLSRUSA-N 1 1 367.449 2.024 40 0 FEABMO COc1cc2c(cc1OC)CN(c1cc[nH+]c(N[C@@H](CO)C(C)C)n1)CC2 ZINC000329059601 132373042 /nfs/dbraw/zinc/37/30/42/132373042.db2.gz WIABMTOZTGTVEZ-INIZCTEOSA-N 1 1 372.469 2.485 40 0 FEABMO Cc1ccccc1C[N@@H+]1CCc2c(nc(N3C[C@@H](C)O[C@@H](C)C3)[nH]c2=O)C1 ZINC000019237262 136152331 /nfs/dbraw/zinc/15/23/31/136152331.db2.gz WGMZKGOSPYSRLP-IYBDPMFKSA-N 1 1 368.481 2.250 40 0 FEABMO CN1CC[NH+](CCCNC(=O)CSCc2ccccc2Cl)CC1 ZINC000022829340 263386199 /nfs/dbraw/zinc/38/61/99/263386199.db2.gz MKFYUXULCFAKQG-UHFFFAOYSA-N 1 1 355.935 2.327 40 0 FEABMO Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1CCNC(=O)c1ccccc1 ZINC000019745794 527388950 /nfs/dbraw/zinc/38/89/50/527388950.db2.gz KLNMNDAMMVTTJL-SFHVURJKSA-N 1 1 354.454 2.393 40 0 FEABMO CC[C@@H](Oc1ccccc1Cl)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000175929702 546373793 /nfs/dbraw/zinc/37/37/93/546373793.db2.gz SKJLQOJDSCPJSN-MRXNPFEDSA-N 1 1 353.894 2.251 40 0 FEABMO CCOC[C@@]1([NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC ZINC000218208836 548684987 /nfs/dbraw/zinc/68/49/87/548684987.db2.gz HWYPYRVZECPIFU-HZSPNIEDSA-N 1 1 362.289 2.084 40 0 FEABMO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2C[N@@H+](CC3CC3)CCN21 ZINC000253398810 549686923 /nfs/dbraw/zinc/68/69/23/549686923.db2.gz HOSKZVWJJAIBRX-IBGZPJMESA-N 1 1 356.514 2.387 40 0 biogenic,in-vitro FEABMO Cc1ncc(C[NH+](C)C)c([C@H]2CCCN2S(=O)(=O)C2CCCC2)n1 ZINC000257232098 549719752 /nfs/dbraw/zinc/71/97/52/549719752.db2.gz GJKPIFNSOYYICU-MRXNPFEDSA-N 1 1 352.504 2.256 40 0 FEABMO C[N@@H+]1CCN(C(=O)CN2CCCC2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257274260 549722886 /nfs/dbraw/zinc/72/28/86/549722886.db2.gz NKFPLAOAFVJOIQ-SFHVURJKSA-N 1 1 366.509 2.263 40 0 FEABMO C[N@H+]1CCN(C(=O)CN2CCCC2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257274260 549722887 /nfs/dbraw/zinc/72/28/87/549722887.db2.gz NKFPLAOAFVJOIQ-SFHVURJKSA-N 1 1 366.509 2.263 40 0 FEABMO Cn1ccnc1C[NH+]1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 ZINC000257264884 549722956 /nfs/dbraw/zinc/72/29/56/549722956.db2.gz LWJIGNOXWFQYKB-UHFFFAOYSA-N 1 1 364.457 2.198 40 0 FEABMO Cc1cncc([C@@H]2CCCN(C(=O)CC[N@H+](C)Cc3ccccn3)C2)n1 ZINC000257277953 549724384 /nfs/dbraw/zinc/72/43/84/549724384.db2.gz OADFVAPHXUOVLL-QGZVFWFLSA-N 1 1 353.470 2.408 40 0 FEABMO Cn1cnc(CN2CC[C@@]3(CCC[N@H+]3CCc3ccccc3)[C@@H](O)C2)c1 ZINC000257279081 549724436 /nfs/dbraw/zinc/72/44/36/549724436.db2.gz OEYMNFIKNYPPHC-SFTDATJTSA-N 1 1 354.498 2.064 40 0 FEABMO COc1cccc(CC(=O)NCc2cnc(C)nc2[C@@H]2CCC[N@H+]2C)c1 ZINC000257313676 549726068 /nfs/dbraw/zinc/72/60/68/549726068.db2.gz UTOYYNXXIOFJPC-SFHVURJKSA-N 1 1 354.454 2.419 40 0 FEABMO Cn1ccc(CN2CC[C@@]3(CCC[N@H+]3CCc3ccccc3)[C@@H](O)C2)n1 ZINC000257310242 549726595 /nfs/dbraw/zinc/72/65/95/549726595.db2.gz UEIVOSAUVWILKM-SFTDATJTSA-N 1 1 354.498 2.064 40 0 FEABMO O=C(NC1CCCC1)c1nnc2n1C[C@@H]1C[N@H+](CC3CCCC3)C[C@H]1C2 ZINC000306128461 553749135 /nfs/dbraw/zinc/74/91/35/553749135.db2.gz HAWXMLVUIRMLAH-CVEARBPZSA-N 1 1 357.502 2.245 40 0 FEABMO CC(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1ccc3c(c1)OCCO3)CCO2 ZINC000306130071 553749180 /nfs/dbraw/zinc/74/91/80/553749180.db2.gz IVTBRCKLRZXBBQ-WOJBJXKFSA-N 1 1 360.454 2.108 40 0 FEABMO CC(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1ccc3c(c1)OCCO3)CCO2 ZINC000306130071 553749183 /nfs/dbraw/zinc/74/91/83/553749183.db2.gz IVTBRCKLRZXBBQ-WOJBJXKFSA-N 1 1 360.454 2.108 40 0 FEABMO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccncc3)C[C@H]1C2 ZINC000306133249 553749517 /nfs/dbraw/zinc/74/95/17/553749517.db2.gz MGRMYTMTVZARBT-SJORKVTESA-N 1 1 374.448 2.230 40 0 FEABMO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@@H+](C3CCOCC3)C[C@H]21 ZINC000514288708 560034168 /nfs/dbraw/zinc/03/41/68/560034168.db2.gz WJKZSQMFKBVTFJ-ZBFHGGJFSA-N 1 1 370.371 2.402 40 0 biogenic,in-vitro FEABMO O=C(C[N@H+]1CC[C@H](O)[C@H](Cc2ccccc2)C1)NCc1ccccc1F ZINC000585276192 570488796 /nfs/dbraw/zinc/48/87/96/570488796.db2.gz MYCQPBNNAINSPF-QUCCMNQESA-N 1 1 356.441 2.367 40 0 FEABMO O=C(C[N@@H+]1CC[C@H](O)[C@H](Cc2ccccc2)C1)NCc1ccccc1F ZINC000585276192 570488802 /nfs/dbraw/zinc/48/88/02/570488802.db2.gz MYCQPBNNAINSPF-QUCCMNQESA-N 1 1 356.441 2.367 40 0 FEABMO Cc1cncc(C[N@H+]2CCC[C@@]3(C[C@@H](NC(=O)OCC(C)C)CO3)C2)n1 ZINC000585102414 571223065 /nfs/dbraw/zinc/22/30/65/571223065.db2.gz JTUVPIKGCNSIGP-VQIMIIECSA-N 1 1 362.474 2.291 40 0 FEABMO Cc1cncc(C[N@@H+]2CCC[C@@]3(C[C@@H](NC(=O)OCC(C)C)CO3)C2)n1 ZINC000585102414 571223066 /nfs/dbraw/zinc/22/30/66/571223066.db2.gz JTUVPIKGCNSIGP-VQIMIIECSA-N 1 1 362.474 2.291 40 0 FEABMO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@@H](C[NH+]4CCOCC4)C3)CC2)c1 ZINC000585103523 571223468 /nfs/dbraw/zinc/22/34/68/571223468.db2.gz HBESAQHVMWYNNL-QGZVFWFLSA-N 1 1 374.481 2.044 40 0 FEABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)o2)CC1 ZINC000585106157 571224555 /nfs/dbraw/zinc/22/45/55/571224555.db2.gz SVPVFJHBIZUGRV-UAGQMJEPSA-N 1 1 373.497 2.287 40 0 FEABMO CCCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccs2)CC1 ZINC000585106324 571224910 /nfs/dbraw/zinc/22/49/10/571224910.db2.gz UUTXPZXALWUEDY-CABCVRRESA-N 1 1 361.511 2.201 40 0 FEABMO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cccc(F)c1 ZINC000012114433 539543498 /nfs/dbraw/zinc/54/34/98/539543498.db2.gz HLXFDOZDBXXQLU-MCPYQZEQSA-N 1 1 358.417 2.012 40 0 FEABMO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cccc(F)c1 ZINC000012114433 539543502 /nfs/dbraw/zinc/54/35/02/539543502.db2.gz HLXFDOZDBXXQLU-MCPYQZEQSA-N 1 1 358.417 2.012 40 0 FEABMO O=C(C[NH+]1CCC(n2cnc3cccnc32)CC1)NCc1cccs1 ZINC000012114662 539543575 /nfs/dbraw/zinc/54/35/75/539543575.db2.gz GMMHAGPSOUKKJX-UHFFFAOYSA-N 1 1 355.467 2.446 40 0 FEABMO Cn1cncc1C[N@H+]1CCC[C@H](c2cnc(Nc3cnccn3)cn2)C1 ZINC000257336962 210001751 /nfs/dbraw/zinc/00/17/51/210001751.db2.gz YQUXPFMKARVPAL-AWEZNQCLSA-N 1 1 350.430 2.123 40 0 FEABMO CCCn1cc(C[N@@H+]2CCC[C@@H]2c2nc(C)ncc2CNC(C)=O)cn1 ZINC000257327638 210000787 /nfs/dbraw/zinc/00/07/87/210000787.db2.gz XCDRBFHYIGMBKU-GOSISDBHSA-N 1 1 356.474 2.365 40 0 FEABMO CCCn1cc(C[N@H+]2CCC[C@@H]2c2nc(C)ncc2CNC(C)=O)cn1 ZINC000257327638 210000791 /nfs/dbraw/zinc/00/07/91/210000791.db2.gz XCDRBFHYIGMBKU-GOSISDBHSA-N 1 1 356.474 2.365 40 0 FEABMO O=C(c1cccc([C@H]2CCC[N@@H+](CC3CCOCC3)C2)n1)N1CCOCC1 ZINC000257203195 209963456 /nfs/dbraw/zinc/96/34/56/209963456.db2.gz APABGEFOONYNSJ-SFHVURJKSA-N 1 1 373.497 2.160 40 0 FEABMO Cn1nc(C2CC2)cc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019288824 539654883 /nfs/dbraw/zinc/65/48/83/539654883.db2.gz SWTKIMAKXWVTPA-QGZVFWFLSA-N 1 1 366.469 2.053 40 0 FEABMO CC[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1c(C)[nH]c2ccc(C)cc21 ZINC000019371775 539656040 /nfs/dbraw/zinc/65/60/40/539656040.db2.gz WGCQJEGZUYZXTQ-KRWDZBQOSA-N 1 1 356.514 2.469 40 0 FEABMO CC[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1cn(CC)c2ccccc12 ZINC000019500320 539658138 /nfs/dbraw/zinc/65/81/38/539658138.db2.gz NEOJTIAWNGULRA-SFHVURJKSA-N 1 1 356.514 2.346 40 0 FEABMO C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019496277 539658291 /nfs/dbraw/zinc/65/82/91/539658291.db2.gz ZIYLVFQQNYTHKO-DLBZAZTESA-N 1 1 372.513 2.160 40 0 FEABMO CC[N@@H+]1CCC[C@H]1CNCc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12 ZINC000019527240 539659539 /nfs/dbraw/zinc/65/95/39/539659539.db2.gz GFMVUCUSHZBMLJ-KRWDZBQOSA-N 1 1 367.497 2.377 40 0 FEABMO CC[N@H+]1CCC[C@H]1CNCc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12 ZINC000019527240 539659545 /nfs/dbraw/zinc/65/95/45/539659545.db2.gz GFMVUCUSHZBMLJ-KRWDZBQOSA-N 1 1 367.497 2.377 40 0 FEABMO COCc1cc(=O)[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(OC)c(OC)c3)C2)n1 ZINC000019594307 539662751 /nfs/dbraw/zinc/66/27/51/539662751.db2.gz NETSNZVVXFHVDJ-OAHLLOKOSA-N 1 1 373.453 2.313 40 0 FEABMO Cn1cc(NC(=O)C[N@H+]2CCC[C@@H](Cc3nc4cc(F)ccc4[nH]3)C2)cn1 ZINC000019715501 539667458 /nfs/dbraw/zinc/66/74/58/539667458.db2.gz KAIYJOWMNMWRQR-ZDUSSCGKSA-N 1 1 370.432 2.329 40 0 FEABMO Cc1onc(C(C)C)c1C(=O)N1CCn2c(nnc2[C@H]2CCC[N@@H+](C)C2)C1 ZINC000019710995 539667608 /nfs/dbraw/zinc/66/76/08/539667608.db2.gz JEZUEDSCZKXCTR-AWEZNQCLSA-N 1 1 372.473 2.163 40 0 FEABMO CC(C)[C@@H](CNC(=O)c1cn2cc(Cl)ccc2n1)[NH+]1CCOCC1 ZINC000019716812 539668272 /nfs/dbraw/zinc/66/82/72/539668272.db2.gz JSKIROSENJVUAP-OAHLLOKOSA-N 1 1 350.850 2.074 40 0 FEABMO C[N@@H+](CCn1cncc1-c1cnc(N2CCOCC2)nc1)C1CCCC1 ZINC000019719320 539668276 /nfs/dbraw/zinc/66/82/76/539668276.db2.gz WLDYEJBAZQJMBY-UHFFFAOYSA-N 1 1 356.474 2.051 40 0 FEABMO COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(C2CCCC2)nn1C ZINC000008635454 291050810 /nfs/dbraw/zinc/05/08/10/291050810.db2.gz RPAIOPKLJVQKAF-BBWFWOEESA-N 1 1 360.502 2.018 40 0 biogenic,in-vitro FEABMO COc1cccc(C[N@H+]2CCC3(CC(NC(=O)c4cccnc4)C3)C2)n1 ZINC000108528328 209288628 /nfs/dbraw/zinc/28/86/28/209288628.db2.gz KXNQKNVVTHXRQP-UHFFFAOYSA-N 1 1 352.438 2.270 40 0 FEABMO Cc1nc2cc(C3CCOCC3)nn2c(NCCC[NH+]2CCOCC2)c1C ZINC000072336874 541800351 /nfs/dbraw/zinc/80/03/51/541800351.db2.gz YMEQDDLDLJVLDX-UHFFFAOYSA-N 1 1 373.501 2.374 40 0 FEABMO CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2C[N@H+]2CCC[C@H](O)C2)C1 ZINC000072396052 541804946 /nfs/dbraw/zinc/80/49/46/541804946.db2.gz VGDHYFVFBYCOHX-HOTGVXAUSA-N 1 1 356.470 2.246 40 0 FEABMO O=C(c1cc([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)n[nH]1)N1CCOCC1 ZINC000072380535 541803248 /nfs/dbraw/zinc/80/32/48/541803248.db2.gz QAALKGZGDIUKQO-GOSISDBHSA-N 1 1 368.481 2.304 40 0 FEABMO O=C(c1cc([C@@H]2CCC[N@H+](CCc3ccccc3)C2)[nH]n1)N1CCOCC1 ZINC000072380535 541803255 /nfs/dbraw/zinc/80/32/55/541803255.db2.gz QAALKGZGDIUKQO-GOSISDBHSA-N 1 1 368.481 2.304 40 0 FEABMO O=C(c1cc([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)[nH]n1)N1CCOCC1 ZINC000072380535 541803260 /nfs/dbraw/zinc/80/32/60/541803260.db2.gz QAALKGZGDIUKQO-GOSISDBHSA-N 1 1 368.481 2.304 40 0 FEABMO Cc1cccc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2ncccn2)C3)n1 ZINC000096229109 209141225 /nfs/dbraw/zinc/14/12/25/209141225.db2.gz SNQLJYVRTQZKOV-FQEVSTJZSA-N 1 1 353.470 2.299 40 0 FEABMO c1csc(CN2CCO[C@@]3(C2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC000096229443 209140310 /nfs/dbraw/zinc/14/03/10/209140310.db2.gz KRAVOCAZNCUHIB-IBGZPJMESA-N 1 1 359.495 2.247 40 0 FEABMO c1csc(CN2CCO[C@@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096229443 209140312 /nfs/dbraw/zinc/14/03/12/209140312.db2.gz KRAVOCAZNCUHIB-IBGZPJMESA-N 1 1 359.495 2.247 40 0 FEABMO c1csc(C[N@@H+]2CCO[C@@]3(C2)COCCN(Cc2ccncc2)C3)c1 ZINC000096229443 209140316 /nfs/dbraw/zinc/14/03/16/209140316.db2.gz KRAVOCAZNCUHIB-IBGZPJMESA-N 1 1 359.495 2.247 40 0 FEABMO c1csc(C[N@H+]2CCO[C@@]3(C2)COCCN(Cc2ccncc2)C3)c1 ZINC000096229443 209140317 /nfs/dbraw/zinc/14/03/17/209140317.db2.gz KRAVOCAZNCUHIB-IBGZPJMESA-N 1 1 359.495 2.247 40 0 FEABMO COC[C@H]1CC2(C[N@H+]1C)CCN(S(=O)(=O)c1cccc(C)c1)CC2 ZINC000096215497 209135730 /nfs/dbraw/zinc/13/57/30/209135730.db2.gz KEHZWUWBOMZFPA-MRXNPFEDSA-N 1 1 352.500 2.116 40 0 FEABMO O=C(N[C@@H]1CCO[C@]2(CC[N@@H+](Cc3cccnc3)C2)C1)c1ccncc1 ZINC000096220408 209138489 /nfs/dbraw/zinc/13/84/89/209138489.db2.gz YSPIOCPRKPRPFB-UYAOXDASSA-N 1 1 352.438 2.030 40 0 FEABMO Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)Nc3cccnc3)C2)no1 ZINC000096207621 209135193 /nfs/dbraw/zinc/13/51/93/209135193.db2.gz PIJWZPNVUDTUNS-OLMNPRSZSA-N 1 1 356.426 2.244 40 0 FEABMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H](CC(=O)NCc4cccnc4)O[C@@H]3C2)o1 ZINC000096207708 209134403 /nfs/dbraw/zinc/13/44/03/209134403.db2.gz QPBAWHLHEFBAQT-YTQUADARSA-N 1 1 355.438 2.279 40 0 FEABMO Cc1cc(C[NH+]2CCC3(CC[C@@H](C(=O)NCc4ccco4)O3)CC2)no1 ZINC000096109999 209114552 /nfs/dbraw/zinc/11/45/52/209114552.db2.gz DPCMIDKOGRDXHM-KRWDZBQOSA-N 1 1 359.426 2.406 40 0 FEABMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000012183462 207344820 /nfs/dbraw/zinc/34/48/20/207344820.db2.gz UAQAKPFKUGQDIA-HZPDHXFCSA-N 1 1 371.481 2.390 40 0 FEABMO C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H](C)c1ccccc1 ZINC000035895263 208137901 /nfs/dbraw/zinc/13/79/01/208137901.db2.gz RVCBCMYGHRUFDK-CLCXKQKWSA-N 1 1 351.450 2.083 40 0 FEABMO CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@@H+](Cc1ccco1)CCC2 ZINC000096056120 209105327 /nfs/dbraw/zinc/10/53/27/209105327.db2.gz HNQJIOSHMRESEN-UWJYYQICSA-N 1 1 368.481 2.481 40 0 FEABMO COc1cc(CCC(=O)N(C)[C@H]2CCCN(c3cccc(C)[nH+]3)C2)on1 ZINC000257226645 132295049 /nfs/dbraw/zinc/29/50/49/132295049.db2.gz FLNVLIZKAMZHEP-HNNXBMFYSA-N 1 1 358.442 2.447 40 0 FEABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000119900794 543673202 /nfs/dbraw/zinc/67/32/02/543673202.db2.gz 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Cn1c2ccccc2nc1[C@H]1CCC[N@H+](CC(=O)NCc2ccccn2)C1 ZINC000019715562 539667628 /nfs/dbraw/zinc/66/76/28/539667628.db2.gz KEIKFQMQWUFFOY-INIZCTEOSA-N 1 1 363.465 2.464 40 0 FEABMO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+](CC(=O)NCc2ccccn2)C1 ZINC000019715562 539667632 /nfs/dbraw/zinc/66/76/32/539667632.db2.gz KEIKFQMQWUFFOY-INIZCTEOSA-N 1 1 363.465 2.464 40 0 FEABMO CCc1ncc(C[N@H+]2CC[C@](Cc3cc(C(C)C)no3)(C(=O)NC)C2)cn1 ZINC000019739232 539668109 /nfs/dbraw/zinc/66/81/09/539668109.db2.gz WWEHZBLQANXXAL-HXUWFJFHSA-N 1 1 371.485 2.331 40 0 FEABMO C[N@@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)CCc1ccc(F)cc1)C2 ZINC000019753080 539669282 /nfs/dbraw/zinc/66/92/82/539669282.db2.gz VGEATNLIQHIRHX-INIZCTEOSA-N 1 1 357.433 2.159 40 0 FEABMO C[N@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)CCc1ccc(F)cc1)C2 ZINC000019753080 539669286 /nfs/dbraw/zinc/66/92/86/539669286.db2.gz VGEATNLIQHIRHX-INIZCTEOSA-N 1 1 357.433 2.159 40 0 FEABMO COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000022860501 539701543 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FEABMO c1ccc(NC[C@H]2CO[C@]3(C2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC000096240457 209143159 /nfs/dbraw/zinc/14/31/59/209143159.db2.gz VDOJMUFLTYEVPG-ICSRJNTNSA-N 1 1 354.454 2.196 40 0 FEABMO c1ccc(NC[C@H]2CO[C@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC000096240457 209143162 /nfs/dbraw/zinc/14/31/62/209143162.db2.gz VDOJMUFLTYEVPG-ICSRJNTNSA-N 1 1 354.454 2.196 40 0 FEABMO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CN(c2ccsc2)C(=O)CN3C)n1 ZINC000096238226 209142196 /nfs/dbraw/zinc/14/21/96/209142196.db2.gz WPGOXQUXARBGDF-LJQANCHMSA-N 1 1 356.495 2.375 40 0 FEABMO C[N@H+]1C[C@H](COCc2ccccn2)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC000096215833 209135649 /nfs/dbraw/zinc/13/56/49/209135649.db2.gz GLQIOVBMKAAFSQ-WIYYLYMNSA-N 1 1 352.482 2.447 40 0 FEABMO COC[C@H]1CCC2(CCN(C(=O)COc3ccc(F)cc3)CC2)[N@H+]1C ZINC000096209131 209136319 /nfs/dbraw/zinc/13/63/19/209136319.db2.gz MBLXJJIGRAFKTC-MRXNPFEDSA-N 1 1 350.434 2.306 40 0 FEABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCO3)C2)s1 ZINC000096207036 209133962 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CN(C)c1nc([C@@H]2CCCC[N@H+]2CC2(O)CCOCC2)cn2cccc12 ZINC000257259918 549722242 /nfs/dbraw/zinc/72/22/42/549722242.db2.gz LAQYKWZSOVZLDZ-KRWDZBQOSA-N 1 1 358.486 2.469 40 0 FEABMO CC[N@@H+](Cc1ccncc1)C[C@]1(O)CCN(C(=O)Cc2ccsc2)C1 ZINC000257288947 549725047 /nfs/dbraw/zinc/72/50/47/549725047.db2.gz PWJQECNXVSFOAX-LJQANCHMSA-N 1 1 359.495 2.171 40 0 FEABMO COc1cc(OC)cc(C(=O)N2CC[C@@H](c3nc(C[NH+](C)C)c[nH]3)C2)c1 ZINC000257301618 549725149 /nfs/dbraw/zinc/72/51/49/549725149.db2.gz RZDKQWKXRZHLOC-CYBMUJFWSA-N 1 1 358.442 2.118 40 0 FEABMO COc1cc(OC)cc(C(=O)N2CC[C@@H](c3ncc(C[NH+](C)C)[nH]3)C2)c1 ZINC000257301618 549725151 /nfs/dbraw/zinc/72/51/51/549725151.db2.gz RZDKQWKXRZHLOC-CYBMUJFWSA-N 1 1 358.442 2.118 40 0 FEABMO Cn1cc(C[N@@H+]2C[C@H]3[C@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)cn1 ZINC000306129215 553748819 /nfs/dbraw/zinc/74/88/19/553748819.db2.gz HXTTXVBFIALTGW-PMACEKPBSA-N 1 1 361.449 2.303 40 0 FEABMO Cn1cc(C[N@H+]2C[C@H]3[C@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)cn1 ZINC000306129215 553748822 /nfs/dbraw/zinc/74/88/22/553748822.db2.gz HXTTXVBFIALTGW-PMACEKPBSA-N 1 1 361.449 2.303 40 0 FEABMO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccncc3)C[C@@H]1C2 ZINC000306133246 553749747 /nfs/dbraw/zinc/74/97/47/553749747.db2.gz MGRMYTMTVZARBT-DLBZAZTESA-N 1 1 374.448 2.230 40 0 FEABMO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccoc3)C[C@H]1C2 ZINC000306137395 553750327 /nfs/dbraw/zinc/75/03/27/553750327.db2.gz QVGNWNQHLQSTCT-CVEARBPZSA-N 1 1 363.421 2.428 40 0 FEABMO CCS(=O)(=O)c1cccc(CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000685939086 568430127 /nfs/dbraw/zinc/43/01/27/568430127.db2.gz ZKBAIKJRTDRVPG-INIZCTEOSA-N 1 1 367.515 2.011 40 0 FEABMO O=C(C[N@H+]1CCC[C@](O)(COc2ccccc2)C1)NCCc1ccccc1 ZINC000585274730 570487499 /nfs/dbraw/zinc/48/74/99/570487499.db2.gz YXPIDQMHTZERSB-JOCHJYFZSA-N 1 1 368.477 2.251 40 0 FEABMO O=C(C[N@@H+]1CCC[C@](O)(COc2ccccc2)C1)NCCc1ccccc1 ZINC000585274730 570487502 /nfs/dbraw/zinc/48/75/02/570487502.db2.gz YXPIDQMHTZERSB-JOCHJYFZSA-N 1 1 368.477 2.251 40 0 FEABMO C[C@H](CO)Nc1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329021705 571128500 /nfs/dbraw/zinc/12/85/00/571128500.db2.gz OHMOBRFLTKDPQV-KGLIPLIRSA-N 1 1 368.481 2.763 40 0 FEABMO CC1CC(C(=O)N2CC[C@]3(C2)C[N@@H+](C)C[C@H]3COCc2ccccn2)C1 ZINC000585103353 571223372 /nfs/dbraw/zinc/22/33/72/571223372.db2.gz UXWGOPUQGYPRPO-JWYNLTDQSA-N 1 1 357.498 2.425 40 0 FEABMO Cc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3CCNS(=O)(=O)C2CC2)s1 ZINC000585103374 571223552 /nfs/dbraw/zinc/22/35/52/571223552.db2.gz VDDAMHHDALMMES-AWEZNQCLSA-N 1 1 370.540 2.119 40 0 FEABMO COCC[N@H+]1C[C@@H](COC)C2(C1)CCN(C(=O)C1=CCCCC1)CC2 ZINC000585104437 571224014 /nfs/dbraw/zinc/22/40/14/571224014.db2.gz ZZDGIJCWTLKPPQ-SFHVURJKSA-N 1 1 350.503 2.320 40 0 FEABMO CN(C)C(=O)c1sc2nccnc2c1[C@H]1CC[N@H+](Cc2cnccn2)C1 ZINC000585180158 571238118 /nfs/dbraw/zinc/23/81/18/571238118.db2.gz VVRVDPOVKCKEAF-LBPRGKRZSA-N 1 1 368.466 2.173 40 0 FEABMO CN(C)C(=O)c1sc2nccnc2c1[C@H]1CC[N@@H+](Cc2cnccn2)C1 ZINC000585180158 571238121 /nfs/dbraw/zinc/23/81/21/571238121.db2.gz VVRVDPOVKCKEAF-LBPRGKRZSA-N 1 1 368.466 2.173 40 0 FEABMO COC(=O)C1=CO[C@H](C)[C@H]2C[N@H+]3CC[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]12 ZINC000004995168 539398266 /nfs/dbraw/zinc/39/82/66/539398266.db2.gz JMIAZDVHNCCPDM-DQDWJNSRSA-N 1 1 368.433 2.063 40 0 biogenic,in-vitro FEABMO CCn1cc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c(C)n1 ZINC000012122079 539544698 /nfs/dbraw/zinc/54/46/98/539544698.db2.gz DBOHJCOJBYZGNS-UHFFFAOYSA-N 1 1 350.426 2.327 40 0 FEABMO CCn1cc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c(C)n1 ZINC000012122079 539544702 /nfs/dbraw/zinc/54/47/02/539544702.db2.gz DBOHJCOJBYZGNS-UHFFFAOYSA-N 1 1 350.426 2.327 40 0 FEABMO C[C@H]1Cc2cc(C(=O)C[NH+]3CCC(C)CC3)ccc2N1S(C)(=O)=O ZINC000012186098 539548436 /nfs/dbraw/zinc/54/84/36/539548436.db2.gz QUVJGQGTTBMRBB-AWEZNQCLSA-N 1 1 350.484 2.312 40 0 FEABMO Cc1nc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@H]3S2(=O)=O)cs1 ZINC000306126934 210051441 /nfs/dbraw/zinc/05/14/41/210051441.db2.gz FJMSZJQDKVFZES-SWLSCSKDSA-N 1 1 369.537 2.159 40 0 FEABMO Cc1nc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@H]3S2(=O)=O)cs1 ZINC000306126934 210051446 /nfs/dbraw/zinc/05/14/46/210051446.db2.gz FJMSZJQDKVFZES-SWLSCSKDSA-N 1 1 369.537 2.159 40 0 FEABMO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccncc3)C[C@H]1C2 ZINC000306133247 210054567 /nfs/dbraw/zinc/05/45/67/210054567.db2.gz MGRMYTMTVZARBT-IAGOWNOFSA-N 1 1 374.448 2.230 40 0 FEABMO CC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[N@H+]2CCC[C@@H](CO)C2)C1 ZINC000019016970 539650494 /nfs/dbraw/zinc/65/04/94/539650494.db2.gz YMXXAECNNWJCNA-SJORKVTESA-N 1 1 370.497 2.493 40 0 FEABMO COC(=O)C1=C(C)C=C([NH+]2CCOCC2)[C@H](C(=O)OC)[C@H]1c1ccccc1 ZINC000031853536 539922051 /nfs/dbraw/zinc/92/20/51/539922051.db2.gz LXBWUMGVJIPBIQ-OALUTQOASA-N 1 1 371.433 2.279 40 0 FEABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(NC(=O)N2CCOCC2)C3)cc1 ZINC000035291745 539979749 /nfs/dbraw/zinc/97/97/49/539979749.db2.gz ZVQSWBYJPRKCNG-AYHJJNSGSA-N 1 1 359.470 2.232 40 0 FEABMO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000257236434 223032572 /nfs/dbraw/zinc/03/25/72/223032572.db2.gz HCELTPCZAISMST-OAHLLOKOSA-N 1 1 354.458 2.191 40 0 FEABMO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC000257236434 223032576 /nfs/dbraw/zinc/03/25/76/223032576.db2.gz HCELTPCZAISMST-OAHLLOKOSA-N 1 1 354.458 2.191 40 0 FEABMO Cc1nccc(CN2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)[C@@H](O)C2)n1 ZINC000257243473 223034319 /nfs/dbraw/zinc/03/43/19/223034319.db2.gz IHEHZAWXEPJPFO-SFTDATJTSA-N 1 1 352.482 2.386 40 0 FEABMO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2cnc(Nc3cnccn3)cn2)C1 ZINC000257256060 223039776 /nfs/dbraw/zinc/03/97/76/223039776.db2.gz KJXXBHAUGQRYGR-CQSZACIVSA-N 1 1 350.430 2.123 40 0 FEABMO Cn1ccnc1C[N@H+]1CCC[C@@H](c2cnc(Nc3cnccn3)cn2)C1 ZINC000257256060 223039782 /nfs/dbraw/zinc/03/97/82/223039782.db2.gz KJXXBHAUGQRYGR-CQSZACIVSA-N 1 1 350.430 2.123 40 0 FEABMO COc1ccccc1-c1nccnc1[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000072358873 541801332 /nfs/dbraw/zinc/80/13/32/541801332.db2.gz YADMRZRASCOYOI-HNNXBMFYSA-N 1 1 354.454 2.420 40 0 FEABMO CC(=O)N1CCC([N@H+]2CCC[C@@H]2c2cncc(-n3ccnc3C)n2)CC1 ZINC000072378814 541803558 /nfs/dbraw/zinc/80/35/58/541803558.db2.gz GBDMFJKADSUKQL-GOSISDBHSA-N 1 1 354.458 2.119 40 0 FEABMO Cc1nn(C[C@H](C)C(=O)N2CC[NH+](CCOC(C)C)CC2)c(C)c1C ZINC000072390335 541804201 /nfs/dbraw/zinc/80/42/01/541804201.db2.gz HNIZXYXYIZPDIF-HNNXBMFYSA-N 1 1 350.507 2.014 40 0 FEABMO O=C(c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n[nH]1)N1CCOCC1 ZINC000072380525 541803118 /nfs/dbraw/zinc/80/31/18/541803118.db2.gz TWCRDULNNKDWPE-MRXNPFEDSA-N 1 1 372.444 2.401 40 0 FEABMO COC(=O)C1C(C[N@H+]2CCC[C@@H](C)C2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013566284 220075338 /nfs/dbraw/zinc/07/53/38/220075338.db2.gz KBPBMDAPIDSJRH-FZKQIMNGSA-N 1 1 373.453 2.208 40 0 FEABMO COC(=O)C1=C(C[N@@H+]2CCC[C@@H](C)C2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013566284 220075342 /nfs/dbraw/zinc/07/53/42/220075342.db2.gz KBPBMDAPIDSJRH-FZKQIMNGSA-N 1 1 373.453 2.208 40 0 FEABMO COC(=O)C1=C(C[N@H+]2CCC[C@@H](C)C2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013566284 220075344 /nfs/dbraw/zinc/07/53/44/220075344.db2.gz KBPBMDAPIDSJRH-FZKQIMNGSA-N 1 1 373.453 2.208 40 0 FEABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@@H]1CCC(=O)N1 ZINC000019589058 211238661 /nfs/dbraw/zinc/23/86/61/211238661.db2.gz MZTMRIVKDLSQLA-GNBUJSLZSA-N 1 1 355.482 2.134 40 0 FEABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)C1CCCC1)CC2 ZINC000019711460 211247997 /nfs/dbraw/zinc/24/79/97/211247997.db2.gz VKZBPRZVQCZWBF-HNNXBMFYSA-N 1 1 357.502 2.402 40 0 FEABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)C1CCCC1)C2 ZINC000019708887 211246478 /nfs/dbraw/zinc/24/64/78/211246478.db2.gz ZXFJYFBFMDJBCU-HNNXBMFYSA-N 1 1 357.502 2.402 40 0 FEABMO CCCn1ncc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2Cc2ccccc2)c1C ZINC000019525960 211228814 /nfs/dbraw/zinc/22/88/14/211228814.db2.gz LDAPFWJYXBYEFZ-FDFHNCONSA-N 1 1 368.525 2.464 40 0 FEABMO COc1ccc([C@H]2C[N@H+](C)[C@@H]3CCN(C(=O)CN4CCCCC4)C[C@@H]32)cc1 ZINC000257214645 533207888 /nfs/dbraw/zinc/20/78/88/533207888.db2.gz CMTNPZVHTWLHSF-NJDAHSKKSA-N 1 1 371.525 2.427 40 0 FEABMO COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(C(=O)CN4CCCCC4)C[C@@H]32)cc1 ZINC000257214645 533207892 /nfs/dbraw/zinc/20/78/92/533207892.db2.gz CMTNPZVHTWLHSF-NJDAHSKKSA-N 1 1 371.525 2.427 40 0 FEABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)CC1 ZINC000049169876 221020662 /nfs/dbraw/zinc/02/06/62/221020662.db2.gz FXHIRPLLLBXSHX-KRWDZBQOSA-N 1 1 354.454 2.461 40 0 biogenic,in-vitro FEABMO CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CC[N@@H+](Cc1ccc(C)o1)C2 ZINC000096050140 132217609 /nfs/dbraw/zinc/21/76/09/132217609.db2.gz HKBZXOZJRBNKCV-NRFANRHFSA-N 1 1 367.449 2.428 40 0 FEABMO CN1C[C@@H](COCC2CC2)[C@H]2CC[N@@H+](Cc3ccccn3)CC[C@H]2C1=O ZINC000096043538 542989458 /nfs/dbraw/zinc/98/94/58/542989458.db2.gz RFUVTTNNGAWMCL-DFQSSKMNSA-N 1 1 357.498 2.425 40 0 FEABMO Cn1cncc1C[N@H+]1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)CC1 ZINC000108527042 543292570 /nfs/dbraw/zinc/29/25/70/543292570.db2.gz MCFJMIFTRJISPY-FQEVSTJZSA-N 1 1 353.470 2.220 40 0 FEABMO Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccs4)CCO[C@@H]3C2)cn1 ZINC000096108173 222026875 /nfs/dbraw/zinc/02/68/75/222026875.db2.gz ARDFXKOBESPOTQ-FUHWJXTLSA-N 1 1 357.479 2.425 40 0 FEABMO CCOC(=O)[C@@]12CN(C(C)=O)C[C@@H]1C[N@@H+](Cc1ccsc1)CCC2 ZINC000096056001 222004326 /nfs/dbraw/zinc/00/43/26/222004326.db2.gz JDXJYVIXNTUACX-WMZOPIPTSA-N 1 1 350.484 2.372 40 0 FEABMO CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1CN(C(=O)c1cccn1C)CCC2 ZINC000096055913 222004457 /nfs/dbraw/zinc/00/44/57/222004457.db2.gz ZYWUWTYZVYMNEH-JXFKEZNVSA-N 1 1 361.486 2.151 40 0 FEABMO CCOC(=O)[C@@]12C[N@@H+](CCOC)C[C@@H]1CN(Cc1cccs1)CCC2 ZINC000096055956 222004600 /nfs/dbraw/zinc/00/46/00/222004600.db2.gz WFPQPFDSIQJWCQ-LPHOPBHVSA-N 1 1 366.527 2.472 40 0 FEABMO C[N@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CCN(C(=O)c3ccncc3)C[C@@H]21 ZINC000096056306 222005089 /nfs/dbraw/zinc/00/50/89/222005089.db2.gz 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ZINC000096078504 222015376 /nfs/dbraw/zinc/01/53/76/222015376.db2.gz GZABPVMSCJJYNG-QFBILLFUSA-N 1 1 358.442 2.098 40 0 FEABMO Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCC[N@@H+](Cc2ccco2)C3)nn1 ZINC000096078504 222015379 /nfs/dbraw/zinc/01/53/79/222015379.db2.gz GZABPVMSCJJYNG-QFBILLFUSA-N 1 1 358.442 2.098 40 0 FEABMO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)Nc1ccccc1 ZINC000096251075 222099885 /nfs/dbraw/zinc/09/98/85/222099885.db2.gz WCBAQFWEFRKYMO-BRWVUGGUSA-N 1 1 350.484 2.016 40 0 FEABMO Cc1ccc(C(=O)N2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC000096249718 222100634 /nfs/dbraw/zinc/10/06/34/222100634.db2.gz NGRJYCYWSULGNY-IEBWSBKVSA-N 1 1 355.438 2.346 40 0 FEABMO O=C(NC1CCC1)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc3c(c2)OCO3)O1 ZINC000096186962 222071138 /nfs/dbraw/zinc/07/11/38/222071138.db2.gz UCBKYYBFIXOWGZ-NUJGCVRESA-N 1 1 358.438 2.206 40 0 FEABMO O=C(NC[C@@H]1CCC[C@]2(CC[N@H+](C3CCOCC3)C2)O1)c1ccncc1 ZINC000096206160 222075885 /nfs/dbraw/zinc/07/58/85/222075885.db2.gz XTHFNXXOJCAWRO-AZUAARDMSA-N 1 1 359.470 2.004 40 0 FEABMO CCOc1ccsc1C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)CCO[C@@H]2C1 ZINC000096205904 222077053 /nfs/dbraw/zinc/07/70/53/222077053.db2.gz FHUDJXZONHBKSJ-GOEBONIOSA-N 1 1 350.484 2.330 40 0 FEABMO O=C(C[C@@H]1C[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]2O1)NCc1cccs1 ZINC000096208490 222077489 /nfs/dbraw/zinc/07/74/89/222077489.db2.gz VKJYYSDOYFPZDG-XYJFISCASA-N 1 1 357.479 2.439 40 0 FEABMO Cc1ncsc1C[N@@H+]1CC[C@H]2OCC[C@@]2(CCNC(=O)N(C)C)C1 ZINC000096219299 222083753 /nfs/dbraw/zinc/08/37/53/222083753.db2.gz UNBAYYFREZDEMP-WBVHZDCISA-N 1 1 352.504 2.094 40 0 FEABMO C[N@H+]1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)N3CCCC3)C2)C1 ZINC000096220079 222084419 /nfs/dbraw/zinc/08/44/19/222084419.db2.gz GYFVTIPECJZDOX-UYAOXDASSA-N 1 1 358.486 2.068 40 0 FEABMO CCCS(=O)(=O)N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC000096221048 222085437 /nfs/dbraw/zinc/08/54/37/222085437.db2.gz ASGPTVVMYVMJLF-SFHVURJKSA-N 1 1 366.527 2.482 40 0 FEABMO Cc1ccc(N2CCOC[C@]3(CCC[N@@H+](Cc4ccncc4)C3)C2)nn1 ZINC000096229182 222091748 /nfs/dbraw/zinc/09/17/48/222091748.db2.gz AEYXNFRLGARBDQ-FQEVSTJZSA-N 1 1 353.470 2.299 40 0 FEABMO c1ncc(C[N@@H+]2CCC[C@H](Cc3cc(Nc4cnccn4)ncn3)C2)[nH]1 ZINC000257312532 534527664 /nfs/dbraw/zinc/52/76/64/534527664.db2.gz UOKAJHDCEGUEGC-CQSZACIVSA-N 1 1 350.430 2.188 40 0 FEABMO c1nc(C[N@H+]2CCC[C@H](Cc3cc(Nc4cnccn4)ncn3)C2)c[nH]1 ZINC000257312532 534527669 /nfs/dbraw/zinc/52/76/69/534527669.db2.gz UOKAJHDCEGUEGC-CQSZACIVSA-N 1 1 350.430 2.188 40 0 FEABMO c1nc(C[N@@H+]2CCC[C@H](Cc3cc(Nc4cnccn4)ncn3)C2)c[nH]1 ZINC000257312532 534527676 /nfs/dbraw/zinc/52/76/76/534527676.db2.gz UOKAJHDCEGUEGC-CQSZACIVSA-N 1 1 350.430 2.188 40 0 FEABMO Nc1nc2c(c(N)n1)C[C@]1(CCC[N@@H+](CCCc3ccccc3)CC1)O2 ZINC000257296821 534748505 /nfs/dbraw/zinc/74/85/05/534748505.db2.gz REMZINLEMSKFCX-HXUWFJFHSA-N 1 1 353.470 2.433 40 0 FEABMO CC(=O)N1CCC([N@H+]2C[C@@H](c3ccccc3)[C@]3(C2)CCCC(=O)N3)CC1 ZINC000257226984 526539872 /nfs/dbraw/zinc/53/98/72/526539872.db2.gz FNBXPMLZRXLIRG-PZJWPPBQSA-N 1 1 355.482 2.136 40 0 FEABMO NCC1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000218057949 548683306 /nfs/dbraw/zinc/68/33/06/548683306.db2.gz LKQRYSGABRKABZ-HZPDHXFCSA-N 1 1 350.871 2.184 40 0 FEABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC ZINC000218209089 548685351 /nfs/dbraw/zinc/68/53/51/548685351.db2.gz HWYPYRVZECPIFU-IHRRRGAJSA-N 1 1 362.289 2.084 40 0 FEABMO CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)C[NH3+])cc1 ZINC000218410358 548686322 /nfs/dbraw/zinc/68/63/22/548686322.db2.gz WFMPCWCTXNIOTK-MOPGFXCFSA-N 1 1 358.507 2.401 40 0 FEABMO Cc1cccc(C(=O)N2CC3(C2)C[C@H](COc2ccccn2)CC[N@H+]3C)n1 ZINC000248125770 549408081 /nfs/dbraw/zinc/40/80/81/549408081.db2.gz LSOUBNLZRMMVIX-QGZVFWFLSA-N 1 1 366.465 2.400 40 0 FEABMO Cc1cccc(C(=O)N2CC3(C2)C[C@H](COc2ccccn2)CC[N@@H+]3C)n1 ZINC000248125770 549408084 /nfs/dbraw/zinc/40/80/84/549408084.db2.gz LSOUBNLZRMMVIX-QGZVFWFLSA-N 1 1 366.465 2.400 40 0 FEABMO Cc1cc(CN2CC3(C2)C[C@H](COCc2cccnc2)CC[N@@H+]3C)no1 ZINC000248152513 549411997 /nfs/dbraw/zinc/41/19/97/549411997.db2.gz UQMUOASQZAIKDV-QGZVFWFLSA-N 1 1 356.470 2.491 40 0 FEABMO Cc1nnc(N2CC3(C2)C[C@H](COCc2cccnc2)CC[N@H+]3C)s1 ZINC000248161902 549413443 /nfs/dbraw/zinc/41/34/43/549413443.db2.gz YABUOBPRZKKGCJ-OAHLLOKOSA-N 1 1 359.499 2.359 40 0 FEABMO Cc1nnc(N2CC3(C2)C[C@H](COCc2cccnc2)CC[N@@H+]3C)s1 ZINC000248161902 549413445 /nfs/dbraw/zinc/41/34/45/549413445.db2.gz YABUOBPRZKKGCJ-OAHLLOKOSA-N 1 1 359.499 2.359 40 0 FEABMO Cc1noc(C)c1CCC(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@@H+]1C ZINC000257276120 549723987 /nfs/dbraw/zinc/72/39/87/549723987.db2.gz NSLAIQJRRJWFTG-KRWDZBQOSA-N 1 1 357.458 2.406 40 0 FEABMO C[C@H]1Cc2nnc(COc3cccnc3)n2CC[N@H+]1Cc1cccnc1 ZINC000585097504 571220502 /nfs/dbraw/zinc/22/05/02/571220502.db2.gz KOPCBZRZCXCLKI-HNNXBMFYSA-N 1 1 350.426 2.094 40 0 FEABMO CCn1cc(C[N@H+]2CCC[C@]3(CCC(=O)N3C[C@H]3CCCO3)CC2)cn1 ZINC000585099825 571221944 /nfs/dbraw/zinc/22/19/44/571221944.db2.gz CZURMTBYVSKEDG-QUCCMNQESA-N 1 1 360.502 2.429 40 0 FEABMO C[N@H+]1C[C@@H](COCc2ccccn2)[C@]2(CCN(C(=O)C3(F)CCC3)C2)C1 ZINC000585103457 571223519 /nfs/dbraw/zinc/22/35/19/571223519.db2.gz WYESLPIPBDHFOM-QFBILLFUSA-N 1 1 361.461 2.271 40 0 FEABMO C[N@H+]1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)C3(F)CCC3)C2)C1 ZINC000585103448 571223541 /nfs/dbraw/zinc/22/35/41/571223541.db2.gz WMKJQWXEFHJWNJ-IEBWSBKVSA-N 1 1 361.461 2.271 40 0 FEABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)N3CCCC3)cc2)CC1 ZINC000006953534 539442903 /nfs/dbraw/zinc/44/29/03/539442903.db2.gz INGOOSPXPGMZDU-UHFFFAOYSA-N 1 1 361.511 2.001 40 0 FEABMO C[C@H]1CC(C)(C)N(C(=O)CNC(=S)N2CC[NH+](C)CC2)c2ccccc21 ZINC000009939212 539509519 /nfs/dbraw/zinc/50/95/19/539509519.db2.gz OJDRMJCPFOQCFQ-HNNXBMFYSA-N 1 1 374.554 2.427 40 0 FEABMO Cc1[nH+]ccn1CC1(O)CCN(C(=O)c2cc3cc(F)ccc3n2C)CC1 ZINC000012143495 539546223 /nfs/dbraw/zinc/54/62/23/539546223.db2.gz WWUDXVCMDITGFC-UHFFFAOYSA-N 1 1 370.428 2.490 40 0 FEABMO Cc1sc2nc(C)n(C3CC[NH+](CC(=O)NC4CC4)CC3)c(=O)c2c1C ZINC000012145419 539547012 /nfs/dbraw/zinc/54/70/12/539547012.db2.gz NMQBFCLOOWWWJE-UHFFFAOYSA-N 1 1 374.510 2.299 40 0 FEABMO Cc1[nH+]ccn1CC1(O)CCN(C(=O)COc2c(C)cccc2C)CC1 ZINC000012221589 539550412 /nfs/dbraw/zinc/55/04/12/539550412.db2.gz VEYHBGKUGUYEHN-UHFFFAOYSA-N 1 1 357.454 2.241 40 0 FEABMO C[C@@H]1C[N@H+](Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)CC[C@@H]1O ZINC000012241284 539550904 /nfs/dbraw/zinc/55/09/04/539550904.db2.gz ZVGKDHDIGHVFJB-DYVFJYSZSA-N 1 1 351.410 2.396 40 0 FEABMO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)CC[C@@H]1O ZINC000012241284 539550913 /nfs/dbraw/zinc/55/09/13/539550913.db2.gz ZVGKDHDIGHVFJB-DYVFJYSZSA-N 1 1 351.410 2.396 40 0 FEABMO CC(C)C[N@H+]1CC[C@H]2Cn3c(nn(CC4CCCCC4)c(=O)c3=O)[C@@H]2C1 ZINC000306143453 210058642 /nfs/dbraw/zinc/05/86/42/210058642.db2.gz YCRWBSLOEXSKHO-DLBZAZTESA-N 1 1 360.502 2.060 40 0 FEABMO O=C(NC[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]12)C1CC(F)(F)C1 ZINC000306141166 210056674 /nfs/dbraw/zinc/05/66/74/210056674.db2.gz VMYDGVAXUBGULM-RBSFLKMASA-N 1 1 356.438 2.356 40 0 FEABMO Cc1nc(C)c(C(=O)NCC[NH+]2CCC(O)(c3ccc(F)cc3)CC2)o1 ZINC000012326198 539555656 /nfs/dbraw/zinc/55/56/56/539555656.db2.gz YPKSOEXCBUKQBI-UHFFFAOYSA-N 1 1 361.417 2.144 40 0 FEABMO Cc1ccc(C2(O)CC[NH+](CCNC(=O)C3CCC(=O)CC3)CC2)cc1 ZINC000012326466 539555754 /nfs/dbraw/zinc/55/57/54/539555754.db2.gz OILUUMKOPCKCFL-UHFFFAOYSA-N 1 1 358.482 2.154 40 0 FEABMO O=C(NC[C@@H]1CO[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]12)C1CC(F)(F)C1 ZINC000306128243 210050480 /nfs/dbraw/zinc/05/04/80/210050480.db2.gz GVBOJYNJOKNULC-BFYDXBDKSA-N 1 1 368.399 2.434 40 0 FEABMO COc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(Cn1nc(C)ccc1=O)C2 ZINC000012366060 539556502 /nfs/dbraw/zinc/55/65/02/539556502.db2.gz ZVIUSRGZALYVBV-HTZLVSCSSA-N 1 1 369.465 2.118 40 0 FEABMO Cc1cccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@@H]3C2)c1 ZINC000306124654 210049314 /nfs/dbraw/zinc/04/93/14/210049314.db2.gz BVUPKIIQCOLVGR-SJORKVTESA-N 1 1 353.470 2.029 40 0 FEABMO C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019496276 539657909 /nfs/dbraw/zinc/65/79/09/539657909.db2.gz ZIYLVFQQNYTHKO-IAGOWNOFSA-N 1 1 372.513 2.160 40 0 FEABMO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCN(C)CC3)n2)cn1 ZINC000035426260 539982339 /nfs/dbraw/zinc/98/23/39/539982339.db2.gz RJATZPHACCDICP-INIZCTEOSA-N 1 1 356.474 2.429 40 0 biogenic,in-vitro FEABMO COc1ccc(CC(=O)NCc2cnc(C)nc2[C@H]2CCC[N@H+]2C)cc1 ZINC000257297810 223057078 /nfs/dbraw/zinc/05/70/78/223057078.db2.gz RIWMFQRQWUWIDF-GOSISDBHSA-N 1 1 354.454 2.419 40 0 FEABMO c1cc(C[NH+]2CCC(Cc3cc(Nc4cnccn4)ncn3)CC2)n[nH]1 ZINC000257308165 223060678 /nfs/dbraw/zinc/06/06/78/223060678.db2.gz TVRDQFZLEJVYIF-UHFFFAOYSA-N 1 1 350.430 2.188 40 0 FEABMO Cc1c2ccccc2oc1C(=O)N(C)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257313539 223061355 /nfs/dbraw/zinc/06/13/55/223061355.db2.gz UTBDUQNEFOPOJM-ZHALLVOQSA-N 1 1 372.465 2.427 40 0 FEABMO O=C(C[N@@H+]1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1)N1CCCCC1 ZINC000257333325 223069019 /nfs/dbraw/zinc/06/90/19/223069019.db2.gz YBCIQDKHNWZDNO-WMZOPIPTSA-N 1 1 350.434 2.042 40 0 FEABMO CC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355059 541801289 /nfs/dbraw/zinc/80/12/89/541801289.db2.gz ZQQBMNSROWFKPU-LJQANCHMSA-N 1 1 367.497 2.066 40 0 FEABMO COc1cccc(CC(=O)N2CCCC[C@H]2c2nnc3n2CC[N@H+](C)C3)c1 ZINC000072374038 541802679 /nfs/dbraw/zinc/80/26/79/541802679.db2.gz SVTQJMBHWFJKPF-KRWDZBQOSA-N 1 1 369.469 2.028 40 0 FEABMO Cc1cc(=O)n2c(n1)NC(NCc1ccccn1)=[NH+][C@@H]2[C@H]1CC=CCC1 ZINC000014607542 220127409 /nfs/dbraw/zinc/12/74/09/220127409.db2.gz IGHIBLQKNVOBSY-YOEHRIQHSA-N 1 1 350.426 2.373 40 0 FEABMO c1ccc(CCn2nnnc2CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019371487 220252954 /nfs/dbraw/zinc/25/29/54/220252954.db2.gz KFSQSILDNUQYRK-UHFFFAOYSA-N 1 1 362.481 2.234 40 0 FEABMO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccccc3F)C2=O)cc1 ZINC000019972528 211263177 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CC(C)n1cc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cn1 ZINC000019454907 211223447 /nfs/dbraw/zinc/22/34/47/211223447.db2.gz OYIPZOIKTJRTIJ-OAHLLOKOSA-N 1 1 368.485 2.262 40 0 FEABMO CC(C)c1ncc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2Cc2ccccc2)cn1 ZINC000019454124 211223470 /nfs/dbraw/zinc/22/34/70/211223470.db2.gz FCUXHFZYDBMUDS-PCCBWWKXSA-N 1 1 366.509 2.462 40 0 FEABMO CC(C)n1cc(C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cn1 ZINC000019454909 211222836 /nfs/dbraw/zinc/22/28/36/211222836.db2.gz OYIPZOIKTJRTIJ-HNNXBMFYSA-N 1 1 368.485 2.262 40 0 FEABMO Cc1nc2ncnn2c(C)c1CCC(=O)NC(C)(C)C[N@@H+]1CCC[C@H](C)C1 ZINC000019578535 211235232 /nfs/dbraw/zinc/23/52/32/211235232.db2.gz KGPLTCFNRLFXCY-AWEZNQCLSA-N 1 1 372.517 2.300 40 0 FEABMO COc1ccc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cc1O ZINC000019559750 211233266 /nfs/dbraw/zinc/23/32/66/211233266.db2.gz HCASISSECDISMA-UHFFFAOYSA-N 1 1 364.405 2.104 40 0 FEABMO COc1ccc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cc1O ZINC000019559750 211233270 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CC[C@H](C)NC(=O)Cn1c(C)nc2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000049400770 221022096 /nfs/dbraw/zinc/02/20/96/221022096.db2.gz CBLRHBDLWQRTJV-HNNXBMFYSA-N 1 1 368.481 2.025 40 0 FEABMO CO[C@H]1CC[N@H+](CC(=O)N2CCSc3ccccc32)C[C@@]12CCCO2 ZINC000257305596 132296776 /nfs/dbraw/zinc/29/67/76/132296776.db2.gz SQSMBPMUFGUTNV-HKUYNNGSSA-N 1 1 362.495 2.395 40 0 FEABMO CO[C@H]1CC[N@@H+](CC(=O)N2CCSc3ccccc32)C[C@@]12CCCO2 ZINC000257305596 132296778 /nfs/dbraw/zinc/29/67/78/132296778.db2.gz SQSMBPMUFGUTNV-HKUYNNGSSA-N 1 1 362.495 2.395 40 0 FEABMO CC(=O)N1CCC([N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)CC1 ZINC000096112086 222029511 /nfs/dbraw/zinc/02/95/11/222029511.db2.gz JIAOQPNLCIXOKU-QAPCUYQASA-N 1 1 361.417 2.378 40 0 biogenic,in-vitro FEABMO CC(=O)N1CCC([N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)CC1 ZINC000096112086 222029514 /nfs/dbraw/zinc/02/95/14/222029514.db2.gz JIAOQPNLCIXOKU-QAPCUYQASA-N 1 1 361.417 2.378 40 0 biogenic,in-vitro FEABMO 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2.285 40 0 FEABMO Cc1nc(CN2CC[C@]3(CCC[N@H+](Cc4cnn(C)c4)C3)C2=O)cs1 ZINC000096224380 222087092 /nfs/dbraw/zinc/08/70/92/222087092.db2.gz DAJZANNMHSCLEG-SFHVURJKSA-N 1 1 359.499 2.200 40 0 FEABMO Cc1ccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC000096229169 222090064 /nfs/dbraw/zinc/09/00/64/222090064.db2.gz BGUFHYBTTPDCCW-HXUWFJFHSA-N 1 1 353.470 2.299 40 0 FEABMO CN1CCN(Cc2cccnc2)[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1=O ZINC000096229604 222091023 /nfs/dbraw/zinc/09/10/23/222091023.db2.gz UTKVTQWUSKNFKT-IBGZPJMESA-N 1 1 356.495 2.062 40 0 FEABMO Cc1n[nH]cc1C[N@H+]1CCC[C@H](Cc2cc(Nc3cnccn3)ncn2)C1 ZINC000257296699 534853491 /nfs/dbraw/zinc/85/34/91/534853491.db2.gz RDZXDIIHBVFMFU-OAHLLOKOSA-N 1 1 364.457 2.496 40 0 FEABMO CC(=O)N1CC2(C[C@]1(C)CO)CC[NH+](Cc1ccc(Cl)cn1)CC2 ZINC000257207931 526524802 /nfs/dbraw/zinc/52/48/02/526524802.db2.gz BJYCSIKRHPOXLY-QGZVFWFLSA-N 1 1 351.878 2.320 40 0 FEABMO CC(=O)N1CCC([N@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)CC1 ZINC000257289979 526540862 /nfs/dbraw/zinc/54/08/62/526540862.db2.gz QAZPFIXLYHREGJ-OALUTQOASA-N 1 1 350.434 2.041 40 0 FEABMO CC(=O)N1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)C[N@H+](Cc3cncs3)[C@@H]2C1 ZINC000257283466 526653514 /nfs/dbraw/zinc/65/35/14/526653514.db2.gz OYLQRCMIOMPGHR-NMLBUPMWSA-N 1 1 371.506 2.340 40 0 FEABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000225494512 548737004 /nfs/dbraw/zinc/73/70/04/548737004.db2.gz GMFITVQDAPQHPH-KRWDZBQOSA-N 1 1 355.438 2.322 40 0 biogenic,in-vitro FEABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000225494512 548737005 /nfs/dbraw/zinc/73/70/05/548737005.db2.gz GMFITVQDAPQHPH-KRWDZBQOSA-N 1 1 355.438 2.322 40 0 biogenic,in-vitro FEABMO O=C(C[C@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21)NCc1cccs1 ZINC000247885206 549389554 /nfs/dbraw/zinc/38/95/54/549389554.db2.gz WUEAVKQPEIGSAP-INIZCTEOSA-N 1 1 360.483 2.187 40 0 FEABMO O=C(C[C@H]1C[N@H+](C2CCOCC2)Cc2ccnn21)NCc1cccs1 ZINC000247885206 549389558 /nfs/dbraw/zinc/38/95/58/549389558.db2.gz WUEAVKQPEIGSAP-INIZCTEOSA-N 1 1 360.483 2.187 40 0 FEABMO CN(C)C(=O)CO[C@H]1CSC2(C[NH+](Cc3ccc4ccccc4n3)C2)C1 ZINC000248030584 549401128 /nfs/dbraw/zinc/40/11/28/549401128.db2.gz TVNXPFCXAVXVFB-QGZVFWFLSA-N 1 1 371.506 2.400 40 0 FEABMO Cn1cc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)cn1 ZINC000248101826 549407237 /nfs/dbraw/zinc/40/72/37/549407237.db2.gz DYNHYPXGSFAQGI-UXHICEINSA-N 1 1 356.470 2.403 40 0 FEABMO Cc1ccc(C[N@H+]2CC[C@]3(CC(C(=O)NC[C@H]4CCCO4)=NO3)C2)s1 ZINC000248122294 549408353 /nfs/dbraw/zinc/40/83/53/549408353.db2.gz VTNUKWBHKKTKNE-KDOFPFPSSA-N 1 1 363.483 2.073 40 0 FEABMO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)C1 ZINC000250669775 549643831 /nfs/dbraw/zinc/64/38/31/549643831.db2.gz LFLCPOZBYHTADZ-RDJZCZTQSA-N 1 1 358.438 2.210 40 0 FEABMO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)C1 ZINC000250669775 549643834 /nfs/dbraw/zinc/64/38/34/549643834.db2.gz LFLCPOZBYHTADZ-RDJZCZTQSA-N 1 1 358.438 2.210 40 0 FEABMO CCc1cnc(N2CCO[C@@H]3C[N@@H+](Cc4ccccn4)CC[C@H]3C2)nc1 ZINC000253606432 549698124 /nfs/dbraw/zinc/69/81/24/549698124.db2.gz LUCNAXNQQKGOJP-PKOBYXMFSA-N 1 1 353.470 2.161 40 0 FEABMO CN1CCC(CCO)([NH2+]Cc2cnc3ccc(Br)cn23)CC1 ZINC000332364155 554432413 /nfs/dbraw/zinc/43/24/13/554432413.db2.gz XCRYTJLDBTULKG-UHFFFAOYSA-N 1 1 367.291 2.033 40 0 FEABMO CNC(=O)[C@]1(C)CCC[N@@H+](CC2(O)CCN(c3cccc(C)c3)CC2)C1 ZINC000585282519 570493094 /nfs/dbraw/zinc/49/30/94/570493094.db2.gz FMQLOQKXKAKMHS-HXUWFJFHSA-N 1 1 359.514 2.174 40 0 FEABMO C[C@@H](c1ccccc1)[N@H+]1CCOC[C@@]2(CC(=O)N(c3ccncn3)C2)C1 ZINC000585104063 571222732 /nfs/dbraw/zinc/22/27/32/571222732.db2.gz IJJQGTCMGCUXOO-JXFKEZNVSA-N 1 1 352.438 2.293 40 0 FEABMO CSc1nnc(C2CC[NH+](CC(=O)NCc3cccs3)CC2)n1C ZINC000005001372 539399408 /nfs/dbraw/zinc/39/94/08/539399408.db2.gz ROEXSPCZHWMWQG-UHFFFAOYSA-N 1 1 365.528 2.094 40 0 FEABMO COCCc1ncc(C[N@H+]2CCCN(c3cccc(OC)c3)CC2)cn1 ZINC000012148152 539546846 /nfs/dbraw/zinc/54/68/46/539546846.db2.gz SVRFAZQDBAYBOM-UHFFFAOYSA-N 1 1 356.470 2.386 40 0 FEABMO COc1ccc(CC(=O)N2CCC(O)(Cn3cc[nH+]c3C)CC2)cc1C ZINC000012221492 539550210 /nfs/dbraw/zinc/55/02/10/539550210.db2.gz FZPVMHSPUDDZMT-UHFFFAOYSA-N 1 1 357.454 2.105 40 0 FEABMO Cc1cc(CN2CC3(C2)C[C@@H](COCc2cccnc2)CC[N@H+]3C)n(C)n1 ZINC000306142028 210058287 /nfs/dbraw/zinc/05/82/87/210058287.db2.gz WNGLYZCBISJRNY-SFHVURJKSA-N 1 1 369.513 2.237 40 0 FEABMO Cc1ccc(C[N@@H+]2C[C@H]3OC[C@H](CNC(=O)c4cccn4C)[C@H]3C2)s1 ZINC000306141592 210058204 /nfs/dbraw/zinc/05/82/04/210058204.db2.gz WBJDEQULGOTBSA-YXJHDRRASA-N 1 1 359.495 2.272 40 0 FEABMO Cn1cc(C(=O)N2CC3(C2)C[C@H](COCC2CC2)CC[N@H+]3CC2CC2)cn1 ZINC000306144919 210060354 /nfs/dbraw/zinc/06/03/54/210060354.db2.gz ZSENMVRAASBQJH-GOSISDBHSA-N 1 1 372.513 2.163 40 0 FEABMO CC(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1ccc3c(c1)OCCO3)CCO2 ZINC000306130069 210051259 /nfs/dbraw/zinc/05/12/59/210051259.db2.gz IVTBRCKLRZXBBQ-UXHICEINSA-N 1 1 360.454 2.108 40 0 FEABMO CC(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1ccc3c(c1)OCCO3)CCO2 ZINC000306130069 210051262 /nfs/dbraw/zinc/05/12/62/210051262.db2.gz IVTBRCKLRZXBBQ-UXHICEINSA-N 1 1 360.454 2.108 40 0 FEABMO O=C(NC1CCC1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccccc3F)C[C@@H]1C2 ZINC000306124412 210048843 /nfs/dbraw/zinc/04/88/43/210048843.db2.gz BPEYMVBNGMGNCZ-LSDHHAIUSA-N 1 1 369.444 2.004 40 0 FEABMO CCn1c2ccc(C[N@H+]3CC[C@@H]4NC(=O)CCCC[C@H]43)cc2n(CC)c1=O ZINC000019713230 539667147 /nfs/dbraw/zinc/66/71/47/539667147.db2.gz DCCONCPDBUMWRW-DLBZAZTESA-N 1 1 370.497 2.476 40 0 FEABMO Cc1ccc2oc(=O)n(CCC(=O)N3CCCC[C@@H]4[C@H]3CC[N@@H+]4C)c2c1 ZINC000019712359 539667385 /nfs/dbraw/zinc/66/73/85/539667385.db2.gz VNCADRRXPUIQIC-HZPDHXFCSA-N 1 1 357.454 2.378 40 0 FEABMO C[N@H+]1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2C(=O)c1nonc1N ZINC000019712972 539667483 /nfs/dbraw/zinc/66/74/83/539667483.db2.gz QBHIJSVSSTUPOW-ZACQAIPSSA-N 1 1 369.469 2.352 40 0 FEABMO COc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3[C@@H]1O)OCO4)[N@H+](C)CC2 ZINC000031829997 539921338 /nfs/dbraw/zinc/92/13/38/539921338.db2.gz YUIGSRGRYOBFRF-PMACEKPBSA-N 1 1 355.390 2.102 40 0 biogenic,in-vitro FEABMO COc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3[C@@H]1O)OCO4)[N@@H+](C)CC2 ZINC000031829997 539921341 /nfs/dbraw/zinc/92/13/41/539921341.db2.gz YUIGSRGRYOBFRF-PMACEKPBSA-N 1 1 355.390 2.102 40 0 biogenic,in-vitro FEABMO CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2C[N@H+]2CCC[C@H](O)C2)C1 ZINC000072396053 541804559 /nfs/dbraw/zinc/80/45/59/541804559.db2.gz VGDHYFVFBYCOHX-CVEARBPZSA-N 1 1 356.470 2.246 40 0 FEABMO CC(=O)N1CCC[C@H]1c1nnc2n1CC[N@@H+](CCCc1ccccc1)C2 ZINC000072380181 541802911 /nfs/dbraw/zinc/80/29/11/541802911.db2.gz CWCFWQDEANFKQT-SFHVURJKSA-N 1 1 353.470 2.410 40 0 FEABMO CC(=O)N1CCC[C@H]1c1nnc2n1CC[N@H+](CCCc1ccccc1)C2 ZINC000072380181 541802915 /nfs/dbraw/zinc/80/29/15/541802915.db2.gz CWCFWQDEANFKQT-SFHVURJKSA-N 1 1 353.470 2.410 40 0 FEABMO O=C(c1cc([C@H]2CCC[N@@H+](CCc3ccccc3)C2)n[nH]1)N1CCOCC1 ZINC000072380534 541802968 /nfs/dbraw/zinc/80/29/68/541802968.db2.gz QAALKGZGDIUKQO-SFHVURJKSA-N 1 1 368.481 2.304 40 0 FEABMO O=C(c1cc([C@H]2CCC[N@H+](CCc3ccccc3)C2)[nH]n1)N1CCOCC1 ZINC000072380534 541802973 /nfs/dbraw/zinc/80/29/73/541802973.db2.gz QAALKGZGDIUKQO-SFHVURJKSA-N 1 1 368.481 2.304 40 0 FEABMO O=C(c1cc([C@H]2CCC[N@@H+](CCc3ccccc3)C2)[nH]n1)N1CCOCC1 ZINC000072380534 541802977 /nfs/dbraw/zinc/80/29/77/541802977.db2.gz QAALKGZGDIUKQO-SFHVURJKSA-N 1 1 368.481 2.304 40 0 FEABMO O=C(c1ccccc1)N1CC[C@H]2CC(=O)N(CCc3cnc[nH]3)CC[C@H]2C1 ZINC000015672895 220159459 /nfs/dbraw/zinc/15/94/59/220159459.db2.gz SAGREDGNLRXFAI-ROUUACIJSA-N 1 1 366.465 2.353 40 0 biogenic,in-vitro FEABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1C ZINC000073743120 541993706 /nfs/dbraw/zinc/99/37/06/541993706.db2.gz TVWLLMMQJYCOII-CYBMUJFWSA-N 1 1 368.275 2.297 40 0 FEABMO CCOc1nc(N(C)C)sc1-c1cncn1[C@@H](C)C[NH+]1CCOCC1 ZINC000019720030 211252268 /nfs/dbraw/zinc/25/22/68/211252268.db2.gz QVMZFJVCTLAXKD-ZDUSSCGKSA-N 1 1 365.503 2.365 40 0 FEABMO C[N@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)Cc1nonc1N ZINC000019589148 211237757 /nfs/dbraw/zinc/23/77/57/211237757.db2.gz HKGOADVFQRHHCS-SZVBFZGTSA-N 1 1 369.469 2.063 40 0 FEABMO Cn1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4n3C)C2)n1 ZINC000019715566 211248732 /nfs/dbraw/zinc/24/87/32/211248732.db2.gz LXFLBRZTKIUKSN-CQSZACIVSA-N 1 1 352.442 2.125 40 0 FEABMO Cn1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4n3C)C2)n1 ZINC000019715566 211248736 /nfs/dbraw/zinc/24/87/36/211248736.db2.gz LXFLBRZTKIUKSN-CQSZACIVSA-N 1 1 352.442 2.125 40 0 FEABMO CC(=O)N1CCc2nnc([C@@H]3CCC[N@@H+]3Cc3cccc(C)c3)n2CC1 ZINC000019710734 211246892 /nfs/dbraw/zinc/24/68/92/211246892.db2.gz RBULTADAANYTHO-SFHVURJKSA-N 1 1 353.470 2.328 40 0 FEABMO CC(=O)N1CCc2nnc([C@@H]3CCC[N@H+]3Cc3cccc(C)c3)n2CC1 ZINC000019710734 211246897 /nfs/dbraw/zinc/24/68/97/211246897.db2.gz RBULTADAANYTHO-SFHVURJKSA-N 1 1 353.470 2.328 40 0 FEABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)COc4ccccc4)C3)ncc2C1 ZINC000019590408 211241314 /nfs/dbraw/zinc/24/13/14/211241314.db2.gz CPGXHUGAHZSAOY-MRXNPFEDSA-N 1 1 366.465 2.250 40 0 FEABMO CCOC(=O)c1c(C)n(CCN2CC[NH+](C)CC2)c2ccc(OC)cc21 ZINC000019530705 211227611 /nfs/dbraw/zinc/22/76/11/211227611.db2.gz JRYZLOINKNIRJT-UHFFFAOYSA-N 1 1 359.470 2.382 40 0 FEABMO CCc1noc(C)c1C(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019521213 211224933 /nfs/dbraw/zinc/22/49/33/211224933.db2.gz ULLKKDLNDSHQIJ-AWEZNQCLSA-N 1 1 369.469 2.343 40 0 FEABMO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)no1)N1CCC(O)CC1 ZINC000019405225 211220447 /nfs/dbraw/zinc/22/04/47/211220447.db2.gz DLHSPOVLEYLZGD-MRXNPFEDSA-N 1 1 370.453 2.046 40 0 FEABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019500627 220263199 /nfs/dbraw/zinc/26/31/99/220263199.db2.gz UCLJJCHTVUKJLV-RBUKOAKNSA-N 1 1 370.501 2.121 40 0 FEABMO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)CC[C@]12CCCO2 ZINC000257243084 533472443 /nfs/dbraw/zinc/47/24/43/533472443.db2.gz IFKGOHMQYBOOFV-CRAIPNDOSA-N 1 1 370.396 2.496 40 0 FEABMO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)CC[C@]12CCCO2 ZINC000257243084 533472448 /nfs/dbraw/zinc/47/24/48/533472448.db2.gz IFKGOHMQYBOOFV-CRAIPNDOSA-N 1 1 370.396 2.496 40 0 FEABMO COc1cccc(C[N@H+]2[C@H]3CCN(C(C)=O)C[C@@H]3C[C@]2(C)CO)c1F ZINC000257221084 533486649 /nfs/dbraw/zinc/48/66/49/533486649.db2.gz DNKICKSEGZBTRW-TXPKVOOTSA-N 1 1 350.434 2.028 40 0 FEABMO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096043098 542987985 /nfs/dbraw/zinc/98/79/85/542987985.db2.gz DRWDEMAXIWZWPO-YTQUADARSA-N 1 1 355.438 2.013 40 0 FEABMO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096043098 542987989 /nfs/dbraw/zinc/98/79/89/542987989.db2.gz DRWDEMAXIWZWPO-YTQUADARSA-N 1 1 355.438 2.013 40 0 FEABMO COc1ccc(C[N@H+]2CCC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)cc1 ZINC000096048781 542989177 /nfs/dbraw/zinc/98/91/77/542989177.db2.gz GMESTKUPVUKHSY-HXUWFJFHSA-N 1 1 354.454 2.448 40 0 FEABMO Cn1cc(C[N@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)CC2)cn1 ZINC000108525244 543292351 /nfs/dbraw/zinc/29/23/51/543292351.db2.gz WRKRYXMERSLKJN-HXUWFJFHSA-N 1 1 353.470 2.220 40 0 FEABMO Cc1ncc(C[N@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CC(F)(F)C3)C2)cn1 ZINC000108526212 543292490 /nfs/dbraw/zinc/29/24/90/543292490.db2.gz OPKKJUDJXHYNAF-NVXWUHKLSA-N 1 1 350.413 2.255 40 0 FEABMO O=C(NCC[C@@H]1Cn2nccc2C[N@H+](C2CCCC2)C1)c1cccnc1 ZINC000247469199 549338855 /nfs/dbraw/zinc/33/88/55/549338855.db2.gz DTTTZWGVKXDREI-INIZCTEOSA-N 1 1 353.470 2.473 40 0 FEABMO Cc1nc(CN2CCOC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)cs1 ZINC000096062328 222008233 /nfs/dbraw/zinc/00/82/33/222008233.db2.gz URMXGJDCRLPKOA-GOSISDBHSA-N 1 1 351.516 2.155 40 0 FEABMO O=C(COC[C@@H]1C[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1)N1CCCC1 ZINC000096082849 222016873 /nfs/dbraw/zinc/01/68/73/222016873.db2.gz IBFVRQYPWUOCOI-UFYCRDLUSA-N 1 1 358.482 2.305 40 0 FEABMO CNC(=O)c1cc2c(nc1N(C)C)CC[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000096260310 222103266 /nfs/dbraw/zinc/10/32/66/222103266.db2.gz MGCCLYBESHQSJT-UHFFFAOYSA-N 1 1 368.481 2.117 40 0 FEABMO Cc1cc(CN2CCC3(CC2)[NH2+]CCn2c(-c4cccnc4)cnc23)no1 ZINC000096263373 222104266 /nfs/dbraw/zinc/10/42/66/222104266.db2.gz ZBAPUIOOQVKCPQ-UHFFFAOYSA-N 1 1 364.453 2.336 40 0 FEABMO C[NH+](C)CC(=O)N1CCc2sc(C(=O)NCc3cccc(F)c3)cc21 ZINC000096264518 222106111 /nfs/dbraw/zinc/10/61/11/222106111.db2.gz ZIOOXANCVUFTIL-UHFFFAOYSA-N 1 1 361.442 2.268 40 0 FEABMO COc1cccc(CNC(=O)c2ccc3nnc([C@@H]4CC[N@@H+](C)C4)n3c2)c1 ZINC000096267435 222107859 /nfs/dbraw/zinc/10/78/59/222107859.db2.gz JFEGFHVSQYAESN-OAHLLOKOSA-N 1 1 365.437 2.087 40 0 FEABMO COCCNC(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1C[N@H+]2Cc1ccccc1 ZINC000096143923 222047723 /nfs/dbraw/zinc/04/77/23/222047723.db2.gz CWYFGOKHCONNLC-RBBKRZOGSA-N 1 1 366.461 2.449 40 0 FEABMO COCCNC(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1C[N@@H+]2Cc1ccccc1 ZINC000096143923 222047727 /nfs/dbraw/zinc/04/77/27/222047727.db2.gz CWYFGOKHCONNLC-RBBKRZOGSA-N 1 1 366.461 2.449 40 0 FEABMO CCS(=O)(=O)NCC[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cccs1)C2 ZINC000096206918 222075704 /nfs/dbraw/zinc/07/57/04/222075704.db2.gz JZKNMKOQDQHSFN-CVEARBPZSA-N 1 1 358.529 2.059 40 0 FEABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC(=O)N4CCCO4)OC[C@H]3C2)s1 ZINC000096207014 222076057 /nfs/dbraw/zinc/07/60/57/222076057.db2.gz ATDQCFVPXCHIPS-DJIMGWMZSA-N 1 1 350.484 2.447 40 0 FEABMO O=C(NCC[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccccn1)C2)N1CCCC1 ZINC000096208062 222077976 /nfs/dbraw/zinc/07/79/76/222077976.db2.gz SDWOGMACJARCAR-QUCCMNQESA-N 1 1 358.486 2.258 40 0 FEABMO C[N@H+]1C[C@H](COCc2ccccn2)[C@]2(CCN(C(=O)C3CC=CC3)C2)C1 ZINC000096209897 222080616 /nfs/dbraw/zinc/08/06/16/222080616.db2.gz JNFFYAGKIJPMRB-WIYYLYMNSA-N 1 1 355.482 2.345 40 0 FEABMO O=C(C[C@@H]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2O1)NCc1cccs1 ZINC000096209381 222080832 /nfs/dbraw/zinc/08/08/32/222080832.db2.gz JBPVEYNPSHTAOC-XYJFISCASA-N 1 1 357.479 2.439 40 0 FEABMO COc1ccc(CN2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)cc1 ZINC000107738810 222399809 /nfs/dbraw/zinc/39/98/09/222399809.db2.gz IMJWWMLLRMXRHX-FPOVZHCZSA-N 1 1 360.498 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528861466 /nfs/dbraw/zinc/86/14/66/528861466.db2.gz KNWJRVWXRLYNPA-OAQYLSRUSA-N 1 1 353.466 2.489 40 0 FEABMO CCN1C(=O)CC[C@@H](C(=O)N2CCC[N@@H+](C)CC2)[C@@H]1c1ccccc1F ZINC000257310069 528947295 /nfs/dbraw/zinc/94/72/95/528947295.db2.gz UDNSKVSXHRMKEF-APWZRJJASA-N 1 1 361.461 2.289 40 0 FEABMO CCN1C(=O)CC[C@@H](C(=O)N2CC[NH+](C)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000257317779 528948917 /nfs/dbraw/zinc/94/89/17/528948917.db2.gz VLCGVPNFWWGQJF-AEFFLSMTSA-N 1 1 363.889 2.414 40 0 FEABMO CCN1C(=O)CC[C@@H](C(=O)N2CC[NH+](CC)CC2)[C@@H]1c1ccccc1C ZINC000257332433 529131062 /nfs/dbraw/zinc/13/10/62/529131062.db2.gz XXHMHBWJJJUWGP-QUCCMNQESA-N 1 1 357.498 2.459 40 0 FEABMO NCC1(C[NH3+])[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218550692 548687848 /nfs/dbraw/zinc/68/78/48/548687848.db2.gz CAUHBBBAZUMRKN-CVEARBPZSA-N 1 1 368.861 2.323 40 0 FEABMO CC(=O)NCCn1nc([C@@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)c2nccnc21 ZINC000257239296 549720913 /nfs/dbraw/zinc/72/09/13/549720913.db2.gz 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CC(=O)N1CCC[C@@H](c2nnc3n2CC[N@H+](CC2CCCCC2)CC3)C1 ZINC000019709468 539666747 /nfs/dbraw/zinc/66/67/47/539666747.db2.gz VJKQRKITDAXFPJ-GOSISDBHSA-N 1 1 359.518 2.442 40 0 FEABMO Cc1cc(C)nc(N2CCC(CC(=O)NC[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000019748207 539669464 /nfs/dbraw/zinc/66/94/64/539669464.db2.gz MNBZIIWLQZSLAU-SFHVURJKSA-N 1 1 359.518 2.300 40 0 FEABMO CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCCCC2)cc1 ZINC000035311573 539980886 /nfs/dbraw/zinc/98/08/86/539980886.db2.gz SRJOHFXFFPXNBW-AWEZNQCLSA-N 1 1 353.488 2.188 40 0 FEABMO C[N@H+]1CC[C@@H](COCc2ccccn2)CC12CN(c1ncc(F)cn1)C2 ZINC000248140021 222964261 /nfs/dbraw/zinc/96/42/61/222964261.db2.gz PXKGXCKUFGEAJB-OAHLLOKOSA-N 1 1 357.433 2.128 40 0 FEABMO Cn1cnc(C[N@@H+]2CCC[C@H](c3nccnc3Nc3cnccn3)C2)c1 ZINC000257219376 223024783 /nfs/dbraw/zinc/02/47/83/223024783.db2.gz DGOJHEPDXVMCLA-AWEZNQCLSA-N 1 1 350.430 2.123 40 0 FEABMO Cn1cnc(C[N@H+]2CCC[C@H](c3nccnc3Nc3cnccn3)C2)c1 ZINC000257219376 223024784 /nfs/dbraw/zinc/02/47/84/223024784.db2.gz DGOJHEPDXVMCLA-AWEZNQCLSA-N 1 1 350.430 2.123 40 0 FEABMO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000257281553 223049724 /nfs/dbraw/zinc/04/97/24/223049724.db2.gz OPTUYDPDZUXCRQ-MRXNPFEDSA-N 1 1 350.426 2.163 40 0 FEABMO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC000257281553 223049727 /nfs/dbraw/zinc/04/97/27/223049727.db2.gz OPTUYDPDZUXCRQ-MRXNPFEDSA-N 1 1 350.426 2.163 40 0 FEABMO COc1cccc(F)c1C[N@H+]1CC[C@H]2[C@@H](C[C@](C)(CO)N2C(C)=O)C1 ZINC000257334505 223069090 /nfs/dbraw/zinc/06/90/90/223069090.db2.gz YGFLICMCJOITHZ-UCLAIMLFSA-N 1 1 350.434 2.028 40 0 FEABMO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C[C@@]12CCCO2 ZINC000257342031 223071952 /nfs/dbraw/zinc/07/19/52/223071952.db2.gz ZMUDNGSEWYTHHJ-YJBOKZPZSA-N 1 1 370.396 2.496 40 0 FEABMO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C[C@@]12CCCO2 ZINC000257342031 223071955 /nfs/dbraw/zinc/07/19/55/223071955.db2.gz ZMUDNGSEWYTHHJ-YJBOKZPZSA-N 1 1 370.396 2.496 40 0 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211224376 /nfs/dbraw/zinc/22/43/76/211224376.db2.gz LCYSJRIPVXSDRX-UHFFFAOYSA-N 1 1 368.485 2.331 40 0 FEABMO CC(C)c1cc(C(=O)N2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)n[nH]1 ZINC000019451763 211224378 /nfs/dbraw/zinc/22/43/78/211224378.db2.gz LCYSJRIPVXSDRX-UHFFFAOYSA-N 1 1 368.485 2.331 40 0 FEABMO CC(=O)Nc1ccc(C[N@H+]2CCc3nc(C(C)C)[nH]c(=O)c3CC2)cc1 ZINC000019453761 211223643 /nfs/dbraw/zinc/22/36/43/211223643.db2.gz KLUWYEWBGCMUOY-UHFFFAOYSA-N 1 1 354.454 2.453 40 0 FEABMO O=C1N[C@]2(C[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]2CO)Cc2ccccc21 ZINC000019375600 211222150 /nfs/dbraw/zinc/22/21/50/211222150.db2.gz NZGORLCKXRBLQO-QRWLVFNGSA-N 1 1 358.388 2.114 40 0 FEABMO O=C1N[C@]2(C[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]2CO)Cc2ccccc21 ZINC000019375600 211222155 /nfs/dbraw/zinc/22/21/55/211222155.db2.gz NZGORLCKXRBLQO-QRWLVFNGSA-N 1 1 358.388 2.114 40 0 FEABMO Cc1nn(Cc2ccccc2)c(C)c1CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@H]1C ZINC000019578337 211236129 /nfs/dbraw/zinc/23/61/29/211236129.db2.gz HCGIOKQEAKPDEJ-UIAACRFSSA-N 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O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000096041251 542988042 /nfs/dbraw/zinc/98/80/42/542988042.db2.gz ZBSRUCGKTGSJEH-CWFSZBLJSA-N 1 1 351.450 2.493 40 0 FEABMO O=C(NCC[C@H]1Cn2nccc2C[N@H+](C2CCCC2)C1)c1cccnc1 ZINC000247469206 549338673 /nfs/dbraw/zinc/33/86/73/549338673.db2.gz DTTTZWGVKXDREI-MRXNPFEDSA-N 1 1 353.470 2.473 40 0 FEABMO Cc1ccsc1C[N@@H+]1CC[C@H]2OCC[C@@]2(COCC(=O)N(C)C)C1 ZINC000096110350 222027822 /nfs/dbraw/zinc/02/78/22/222027822.db2.gz HTHGZNYUQZYIMM-AEFFLSMTSA-N 1 1 352.500 2.142 40 0 FEABMO Cc1ccnc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccsc4)CCO[C@@H]3C2)c1 ZINC000096110940 222029679 /nfs/dbraw/zinc/02/96/79/222029679.db2.gz HAXZGRYEYWPTIC-FUHWJXTLSA-N 1 1 357.479 2.425 40 0 FEABMO Cc1csc(CN2C[C@@H]3C[N@@H+](CC4CCOCC4)CCO[C@@H]3C2)n1 ZINC000096110910 222029685 /nfs/dbraw/zinc/02/96/85/222029685.db2.gz NMZIYJQVZFQJSZ-DLBZAZTESA-N 1 1 351.516 2.011 40 0 FEABMO CC(=O)N1CCC([N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)CC1 ZINC000096112191 222029817 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UWNMOPXDZPEHCY-HNNXBMFYSA-N 1 1 356.426 2.001 40 0 FEABMO O=C(C[N@H+]1CCC[C@@](O)(COc2ccccc2)C1)NCc1ccccc1 ZINC000585274563 570487407 /nfs/dbraw/zinc/48/74/07/570487407.db2.gz WPMUCIGZMQWKFX-NRFANRHFSA-N 1 1 354.450 2.209 40 0 FEABMO O=C(C[N@@H+]1CCC[C@@](O)(COc2ccccc2)C1)NCc1ccccc1 ZINC000585274563 570487410 /nfs/dbraw/zinc/48/74/10/570487410.db2.gz WPMUCIGZMQWKFX-NRFANRHFSA-N 1 1 354.450 2.209 40 0 FEABMO Cc1cc(CN(C)C(=O)[C@@H]2CC[C@@H]([N@@H+](C)Cc3ccccc3)[C@H]2O)no1 ZINC000585281331 570492619 /nfs/dbraw/zinc/49/26/19/570492619.db2.gz WFSAPXSZCPDTSV-QRVBRYPASA-N 1 1 357.454 2.213 40 0 FEABMO O=C1CCCC[C@@H]2[C@H](CC[N@@H+]2[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)N1 ZINC000585288515 570496299 /nfs/dbraw/zinc/49/62/99/570496299.db2.gz CUCVWORSQSHWHE-NJYSJTHYSA-N 1 1 358.482 2.481 40 0 FEABMO Cc1ccc(OCc2nnc3n2CC[N@@H+](CC2CCOCC2)[C@@H]3C)cn1 ZINC000585097599 571220564 /nfs/dbraw/zinc/22/05/64/571220564.db2.gz NHVTWPFKJNXYTE-OAHLLOKOSA-N 1 1 357.458 2.364 40 0 FEABMO 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FEABMO COCC[NH+]1CCN(c2ncc(-c3cc(C)no3)c([C@H]3CCCO3)n2)CC1 ZINC000072324911 541799888 /nfs/dbraw/zinc/79/98/88/541799888.db2.gz PVRKOGHULJHELM-MRXNPFEDSA-N 1 1 373.457 2.060 40 0 FEABMO COc1cccc(-c2cncc([C@@H]3CCC[N@@H+](CC(=O)N(C)C)C3)n2)c1 ZINC000072359610 541802002 /nfs/dbraw/zinc/80/20/02/541802002.db2.gz VAZXRYUUJUZYJB-MRXNPFEDSA-N 1 1 354.454 2.420 40 0 FEABMO COc1c(C)cccc1C(=O)N1CCn2c(nnc2[C@@H]2CCC[N@@H+]2C)C1 ZINC000019705526 211247558 /nfs/dbraw/zinc/24/75/58/211247558.db2.gz BJXURDLWLGTHSS-HNNXBMFYSA-N 1 1 355.442 2.018 40 0 FEABMO COc1c(C)cccc1C(=O)N1CCn2c(nnc2[C@@H]2CCC[N@H+]2C)C1 ZINC000019705526 211247562 /nfs/dbraw/zinc/24/75/62/211247562.db2.gz BJXURDLWLGTHSS-HNNXBMFYSA-N 1 1 355.442 2.018 40 0 FEABMO CC1(C)Cc2cc(C[N@H+]3CCC[C@H](c4nnc5n4CCNC5)C3)ccc2O1 ZINC000019711023 211247445 /nfs/dbraw/zinc/24/74/45/211247445.db2.gz RQJMHFXZJGVRCI-INIZCTEOSA-N 1 1 367.497 2.474 40 0 FEABMO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCN1C(=O)CCn1cncn1 ZINC000019451475 211221775 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C[NH+]1CCN([C@H](c2nnnn2CCc2ccccc2)c2ccccc2)CC1 ZINC000019589915 220277973 /nfs/dbraw/zinc/27/79/73/220277973.db2.gz RNOQCEXAALXXRZ-FQEVSTJZSA-N 1 1 362.481 2.253 40 0 FEABMO CNc1cncc([C@@H]2CCCN2C(=O)CC[N@@H+](C)Cc2ccccn2)n1 ZINC000257249149 533072158 /nfs/dbraw/zinc/07/21/58/533072158.db2.gz JGZYTNNOEZJDKD-KRWDZBQOSA-N 1 1 354.458 2.099 40 0 FEABMO COc1ccc(C[N@@H+](C)C[C@@]2(O)CCN(C(=O)c3ccccc3)C2)cc1 ZINC000257200889 533540979 /nfs/dbraw/zinc/54/09/79/533540979.db2.gz AFGOYPQJOXAZOC-NRFANRHFSA-N 1 1 354.450 2.404 40 0 FEABMO Cc1cccc(N2CCOC[C@@]3(CN(c4ccccc4C)C(=O)CO3)C2)[nH+]1 ZINC000096078313 132218394 /nfs/dbraw/zinc/21/83/94/132218394.db2.gz KUXLUGSOFGINSE-NRFANRHFSA-N 1 1 367.449 2.337 40 0 FEABMO Cc1cccc(N2CCc3nc(N4CCOCC4)nc(NC(C)C)c3C2)[nH+]1 ZINC000096083710 132218980 /nfs/dbraw/zinc/21/89/80/132218980.db2.gz SMWYQBHFKGKOKB-UHFFFAOYSA-N 1 1 368.485 2.400 40 0 FEABMO CC(C)Nc1nc(N2CCCC2)[nH+]c2c1CN(c1ncc(F)cn1)CC2 ZINC000096254252 132224161 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ZINC000096159915 222059763 /nfs/dbraw/zinc/05/97/63/222059763.db2.gz XTPLQEPDJVQMIF-APWZRJJASA-N 1 1 350.459 2.064 40 0 FEABMO O=C(c1cscn1)N1C[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000096161800 222060862 /nfs/dbraw/zinc/06/08/62/222060862.db2.gz HVKJYIBYGOXWII-OKILXGFUSA-N 1 1 357.435 2.076 40 0 FEABMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H](CC(=O)NCc4ccccn4)O[C@@H]3C2)o1 ZINC000096208294 222078360 /nfs/dbraw/zinc/07/83/60/222078360.db2.gz CSBBHGAYGKEANJ-KFKAGJAMSA-N 1 1 355.438 2.279 40 0 FEABMO Cn1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3cccnc3)CC2)cn1 ZINC000096218022 222082647 /nfs/dbraw/zinc/08/26/47/222082647.db2.gz VZTSCJAGKMPQRA-HXUWFJFHSA-N 1 1 353.470 2.362 40 0 FEABMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)COc1ccccc1)C2 ZINC000096218851 222084566 /nfs/dbraw/zinc/08/45/66/222084566.db2.gz HFFHJXBKEHADHP-GHTZIAJQSA-N 1 1 358.482 2.272 40 0 FEABMO Cn1cncc1CN1CCC[C@@]2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)C1 ZINC000107228880 222391622 /nfs/dbraw/zinc/39/16/22/222391622.db2.gz 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Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COCC(=O)N(C)C)C[C@@H]32)s1 ZINC000096055409 542990018 /nfs/dbraw/zinc/99/00/18/542990018.db2.gz RHUBDYCJYGVWOQ-BHYGNILZSA-N 1 1 352.500 2.141 40 0 FEABMO COc1ccc(C[N@H+]2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)cc1 ZINC000096052381 222003257 /nfs/dbraw/zinc/00/32/57/222003257.db2.gz XHVFBHSSGWWOQO-UXHICEINSA-N 1 1 357.454 2.342 40 0 FEABMO COc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)cc1 ZINC000096052382 222003466 /nfs/dbraw/zinc/00/34/66/222003466.db2.gz XHVFBHSSGWWOQO-WOJBJXKFSA-N 1 1 357.454 2.342 40 0 FEABMO C[C@H]1C[N@@H+](CC2CCOCC2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000096061305 222006377 /nfs/dbraw/zinc/00/63/77/222006377.db2.gz VMSGVIJDWCJFDD-ZAAXVRCTSA-N 1 1 350.503 2.199 40 0 FEABMO O=C(NCc1ccco1)[C@H]1CO[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC000096066025 222011035 /nfs/dbraw/zinc/01/10/35/222011035.db2.gz XPCOZMHZUNFLIW-MDZRGWNJSA-N 1 1 355.438 2.218 40 0 FEABMO CC(=O)N1CCC2(C[C@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000096242251 222097403 /nfs/dbraw/zinc/09/74/03/222097403.db2.gz UGGFCGCWGHUROI-SFHVURJKSA-N 1 1 369.509 2.218 40 0 FEABMO c1cncc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(NCC4CC4)nc23)c1 ZINC000096244072 222098631 /nfs/dbraw/zinc/09/86/31/222098631.db2.gz NUZBYOHTEZLTQV-HXUWFJFHSA-N 1 1 351.454 2.367 40 0 FEABMO COc1cccc(C[N@H+]2CC[C@]3(C2)COCc2cnc(N(C)C)nc23)c1 ZINC000096244009 222099168 /nfs/dbraw/zinc/09/91/68/222099168.db2.gz QEKWDKKNADOBQN-FQEVSTJZSA-N 1 1 354.454 2.225 40 0 FEABMO CC(C)[NH2+]C[C@H]1O[C@H](Cc2cc(CN3CCCCC3)on2)CC[C@@H]1O ZINC000096296052 222112491 /nfs/dbraw/zinc/11/24/91/222112491.db2.gz ONQRAODOWPZCMU-YTQUADARSA-N 1 1 351.491 2.110 40 0 biogenic,in-vitro FEABMO Cn1ccnc1CN1CCC2(C[C@H]([N@H+](C)Cc3ccncc3)CO2)CC1 ZINC000096158705 222057661 /nfs/dbraw/zinc/05/76/61/222057661.db2.gz SGCRFYJPTNYIGJ-SFHVURJKSA-N 1 1 355.486 2.071 40 0 FEABMO Cn1ccnc1CN1CCC2(C[C@H]([N@@H+](C)Cc3ccncc3)CO2)CC1 ZINC000096158705 222057664 /nfs/dbraw/zinc/05/76/64/222057664.db2.gz SGCRFYJPTNYIGJ-SFHVURJKSA-N 1 1 355.486 2.071 40 0 FEABMO O=C(C[C@H]1OC[C@H]2C[N@@H+](Cc3ccoc3)CC[C@H]21)NCc1cccnc1 ZINC000096206462 222076376 /nfs/dbraw/zinc/07/63/76/222076376.db2.gz WWTLRKBPOMMHQG-GUDVDZBRSA-N 1 1 355.438 2.218 40 0 FEABMO Cc1cc(C[NH+]2CCC3(CCOC[C@@H]3COc3cnccn3)CC2)no1 ZINC000096219120 222084324 /nfs/dbraw/zinc/08/43/24/222084324.db2.gz GRIQGLVEQYPDHW-MRXNPFEDSA-N 1 1 358.442 2.471 40 0 FEABMO Cc1nc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2ncccn2)C3)cs1 ZINC000096229112 222089522 /nfs/dbraw/zinc/08/95/22/222089522.db2.gz ZJPOBEUQGCBQQF-GOSISDBHSA-N 1 1 359.499 2.361 40 0 FEABMO Cc1nc(C[N@H+]2CCC[C@]3(C2)COCCN(c2ncccn2)C3)cs1 ZINC000096229112 222089524 /nfs/dbraw/zinc/08/95/24/222089524.db2.gz ZJPOBEUQGCBQQF-GOSISDBHSA-N 1 1 359.499 2.361 40 0 FEABMO Cc1nc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cnccn2)C3)cs1 ZINC000096229148 222090019 /nfs/dbraw/zinc/09/00/19/222090019.db2.gz YMKRORFXJNJWDK-GOSISDBHSA-N 1 1 359.499 2.361 40 0 FEABMO Cc1nc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cnccn2)C3)cs1 ZINC000096229148 222090021 /nfs/dbraw/zinc/09/00/21/222090021.db2.gz YMKRORFXJNJWDK-GOSISDBHSA-N 1 1 359.499 2.361 40 0 FEABMO Fc1cnc(N2CCOC[C@]3(CCC[N@@H+](Cc4cccnc4)C3)C2)nc1 ZINC000096229207 222091465 /nfs/dbraw/zinc/09/14/65/222091465.db2.gz QXODWQBWLRJXDD-IBGZPJMESA-N 1 1 357.433 2.130 40 0 FEABMO Cc1cc(C[C@H]2COCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)ncn1 ZINC000257257855 533764425 /nfs/dbraw/zinc/76/44/25/533764425.db2.gz KRJCPRARLKTLDJ-QGZVFWFLSA-N 1 1 355.438 2.247 40 0 FEABMO CCO[C@@H]1CC[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@@H]1O5 ZINC000390823188 520325091 /nfs/dbraw/zinc/32/50/91/520325091.db2.gz VQCWRPMIHXJERW-SRBMLKMVSA-N 1 1 371.477 2.361 40 0 FEABMO O=C(C[NH+]1CCCCC1)N1CCCC[C@H]1c1nnc(-c2cnccn2)o1 ZINC000257290616 534522725 /nfs/dbraw/zinc/52/27/25/534522725.db2.gz QDPWJLFRTWDYQD-HNNXBMFYSA-N 1 1 356.430 2.066 40 0 FEABMO Cc1nc([C@@]2(C)CCC[N@@H+](Cc3cccnc3)C2)nc2c1CC(=O)N2C ZINC000257315969 534587257 /nfs/dbraw/zinc/58/72/57/534587257.db2.gz VDNWTPFWRGZJRG-FQEVSTJZSA-N 1 1 351.454 2.253 40 0 FEABMO O=C(Cc1cccs1)N1CC[C@](O)(C[N@H+]2CCc3ccccc3C2)C1 ZINC000257234690 534736378 /nfs/dbraw/zinc/73/63/78/534736378.db2.gz GUQYIWPWJFMYCW-FQEVSTJZSA-N 1 1 356.491 2.312 40 0 FEABMO COc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)ncn1 ZINC000096158685 536825504 /nfs/dbraw/zinc/82/55/04/536825504.db2.gz ARFCDTNUGSJCKX-OAHLLOKOSA-N 1 1 358.442 2.338 40 0 FEABMO C[N@@H+](C[C@H]1CCCN(Cc2ccccc2)C1)[C@]1(C)CCS(=O)(=O)C1 ZINC000248144808 549410610 /nfs/dbraw/zinc/41/06/10/549410610.db2.gz VJPLICXXVQSGRV-RTBURBONSA-N 1 1 350.528 2.408 40 0 FEABMO CN(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@]1(C)CCS(=O)(=O)C1 ZINC000248144808 549410616 /nfs/dbraw/zinc/41/06/16/549410616.db2.gz VJPLICXXVQSGRV-RTBURBONSA-N 1 1 350.528 2.408 40 0 FEABMO CN(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@]1(C)CCS(=O)(=O)C1 ZINC000248144808 549410619 /nfs/dbraw/zinc/41/06/19/549410619.db2.gz VJPLICXXVQSGRV-RTBURBONSA-N 1 1 350.528 2.408 40 0 FEABMO Cc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3CCNC(=O)c2nccn2C)cc1 ZINC000248166255 549413031 /nfs/dbraw/zinc/41/30/31/549413031.db2.gz ZYSLPBZBZZYRDV-SFHVURJKSA-N 1 1 368.481 2.140 40 0 FEABMO CCS(=O)(=O)N1CCC2(C[N@@H+](Cc3ccsc3)C[C@@H]2COC)CC1 ZINC000253493225 549690691 /nfs/dbraw/zinc/69/06/91/549690691.db2.gz SOXVKTWGOAMBSQ-MRXNPFEDSA-N 1 1 372.556 2.258 40 0 FEABMO O=C(C[N@H+]1CCC[C@](O)(COc2ccccc2)C1)NCc1ccc(F)cc1 ZINC000257249383 549720779 /nfs/dbraw/zinc/72/07/79/549720779.db2.gz JIBHCIXRMFKOTD-OAQYLSRUSA-N 1 1 372.440 2.348 40 0 FEABMO O=C(C[N@@H+]1CCC[C@](O)(COc2ccccc2)C1)NCc1ccc(F)cc1 ZINC000257249383 549720783 /nfs/dbraw/zinc/72/07/83/549720783.db2.gz JIBHCIXRMFKOTD-OAQYLSRUSA-N 1 1 372.440 2.348 40 0 FEABMO C[N@@H+](Cc1ccc(OCCF)cc1)C[C@@]1(O)CCCN(c2ncccn2)C1 ZINC000257313972 549726326 /nfs/dbraw/zinc/72/63/26/549726326.db2.gz UUWOBJAACZDNEY-FQEVSTJZSA-N 1 1 374.460 2.288 40 0 FEABMO CCCC[N@@H+](C)C[C@@H]1OC[C@H](NC(=O)Nc2cccc(Cl)c2)[C@H]1O ZINC000514288665 560034556 /nfs/dbraw/zinc/03/45/56/560034556.db2.gz KAEGQKKSMKRFEO-HRCADAONSA-N 1 1 355.866 2.322 40 0 biogenic,in-vitro FEABMO Cc1ccc(OC[C@]2(O)CC[N@@H+](Cc3cccc(OCCO)c3)C2)cc1 ZINC000585273465 570486441 /nfs/dbraw/zinc/48/64/41/570486441.db2.gz VRZWTPQCFIXVAF-NRFANRHFSA-N 1 1 357.450 2.382 40 0 FEABMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCCc2nnc(-c3ccccc3)o2)C1 ZINC000664501282 571144110 /nfs/dbraw/zinc/14/41/10/571144110.db2.gz TWVZXWKJRJDLEL-HNNXBMFYSA-N 1 1 357.458 2.451 40 0 FEABMO Cc1ccoc1C(=O)N1CC2(C1)C[C@@H](COCc1ccccn1)C[N@@H+]2C ZINC000585093907 571220419 /nfs/dbraw/zinc/22/04/19/571220419.db2.gz OOOUEIYGCGFYFS-MRXNPFEDSA-N 1 1 355.438 2.346 40 0 FEABMO Cc1nc(C[N@@H+]2CCC3(C2)CCN(C(=O)Cc2ccn(C)n2)CC3)cs1 ZINC000585099757 571221808 /nfs/dbraw/zinc/22/18/08/571221808.db2.gz OWGUMMLQONBULP-UHFFFAOYSA-N 1 1 373.526 2.242 40 0 FEABMO O=C(c1ccccc1)N1CCC2(CO[C@@H](C[N@@H+]3CCC[C@H]3CO)C2)CC1 ZINC000585104892 571224241 /nfs/dbraw/zinc/22/42/41/571224241.db2.gz VYWDQLDEUASYMJ-RBUKOAKNSA-N 1 1 358.482 2.155 40 0 FEABMO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CCC(C)C)C[C@@H]23)o1 ZINC000585106058 571224689 /nfs/dbraw/zinc/22/46/89/571224689.db2.gz ILJLGLITBJYOMX-SJORKVTESA-N 1 1 373.497 2.287 40 0 FEABMO C[N@H+]1CCN(C(=O)c2ccncn2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257299186 530069915 /nfs/dbraw/zinc/06/99/15/530069915.db2.gz RPAUINSECFMJRS-MRXNPFEDSA-N 1 1 361.449 2.271 40 0 FEABMO Cc1cc(-c2cnc(NCCC[NH+]3CCOCC3)nc2[C@H]2CCCO2)on1 ZINC000019122663 539651518 /nfs/dbraw/zinc/65/15/18/539651518.db2.gz SWTNBLHZRCULBI-MRXNPFEDSA-N 1 1 373.457 2.426 40 0 FEABMO CCc1nc(N2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc(C)[nH+]1 ZINC000019523161 539659253 /nfs/dbraw/zinc/65/92/53/539659253.db2.gz IDNLMTPDLCKRDH-UHFFFAOYSA-N 1 1 374.510 2.308 40 0 FEABMO CCCc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)o1 ZINC000019525480 539659299 /nfs/dbraw/zinc/65/92/99/539659299.db2.gz BPEQGNUBHJLEOJ-UHFFFAOYSA-N 1 1 372.469 2.165 40 0 FEABMO O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028833323 539837736 /nfs/dbraw/zinc/83/77/36/539837736.db2.gz POLOYOVKLMXPGG-IBGZPJMESA-N 1 1 363.461 2.384 40 0 FEABMO CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000035311571 539979468 /nfs/dbraw/zinc/97/94/68/539979468.db2.gz MZGSRJKLQJEMBE-GJZGRUSLSA-N 1 1 367.515 2.434 40 0 FEABMO CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000035311571 539979471 /nfs/dbraw/zinc/97/94/71/539979471.db2.gz MZGSRJKLQJEMBE-GJZGRUSLSA-N 1 1 367.515 2.434 40 0 FEABMO CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000035311577 539980509 /nfs/dbraw/zinc/98/05/09/539980509.db2.gz AKJGDQIQAZUPKQ-HNNXBMFYSA-N 1 1 367.515 2.434 40 0 FEABMO CN(C)C(=O)c1cc(C[C@@H]2CCC[N@H+](Cc3cscn3)CC2)ncn1 ZINC000257210275 223020012 /nfs/dbraw/zinc/02/00/12/223020012.db2.gz BTXSIIGLCLOSBY-CQSZACIVSA-N 1 1 359.499 2.480 40 0 FEABMO CN(C)C(=O)c1cc(C[C@@H]2CCC[N@@H+](Cc3cscn3)CC2)ncn1 ZINC000257210275 223020015 /nfs/dbraw/zinc/02/00/15/223020015.db2.gz BTXSIIGLCLOSBY-CQSZACIVSA-N 1 1 359.499 2.480 40 0 FEABMO O=S(=O)(NCc1cccc(C[NH+]2CCOCC2)c1)c1cccs1 ZINC000047266687 540300395 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C[C@@H]1CN(c2nccc(C[N@H+]3CC[C@H](O)[C@@H]4CCCC[C@H]43)n2)C[C@H](C)O1 ZINC000253603371 549698467 /nfs/dbraw/zinc/69/84/67/549698467.db2.gz KJIXZEHJTYWXJD-CGHHPOIWSA-N 1 1 360.502 2.216 40 0 FEABMO CCS(=O)(=O)N(C)C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1 ZINC000257203655 549717526 /nfs/dbraw/zinc/71/75/26/549717526.db2.gz ARAMIPIZFUDQEW-SHTZXODSSA-N 1 1 356.536 2.037 40 0 FEABMO Cc1cccc(O[C@H]2C[N@@H+](Cc3ccc(OCCCO)cc3)C[C@@H]2O)c1 ZINC000585272665 570486798 /nfs/dbraw/zinc/48/67/98/570486798.db2.gz PGCSFFLJONVXHS-SFTDATJTSA-N 1 1 357.450 2.380 40 0 FEABMO CS(=O)(=O)NCC[C@H]1Cn2cccc2C[N@H+](Cc2ccsc2)C1 ZINC000585095072 571219877 /nfs/dbraw/zinc/21/98/77/571219877.db2.gz CSXXLRVDHHIGRV-CQSZACIVSA-N 1 1 353.513 2.121 40 0 FEABMO CS(=O)(=O)NCC[C@H]1Cn2cccc2C[N@@H+](Cc2ccsc2)C1 ZINC000585095072 571219879 /nfs/dbraw/zinc/21/98/79/571219879.db2.gz CSXXLRVDHHIGRV-CQSZACIVSA-N 1 1 353.513 2.121 40 0 FEABMO COCC[N@H+]1CC[C@@]12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2 ZINC000585102078 571222019 /nfs/dbraw/zinc/22/20/19/571222019.db2.gz QIMZHGZNEDNKKM-OAQYLSRUSA-N 1 1 371.481 2.362 40 0 FEABMO COCC[N@H+]1C[C@@H](COC)C2(C1)CCN(C(=O)CCc1ccccc1)CC2 ZINC000585103331 571223491 /nfs/dbraw/zinc/22/34/91/571223491.db2.gz OLAIYXRPFIUMML-FQEVSTJZSA-N 1 1 374.525 2.453 40 0 FEABMO Cc1cccc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H]4CO)C3)CC2)c1 ZINC000585104604 571223910 /nfs/dbraw/zinc/22/39/10/571223910.db2.gz RFPJIGWONLHURD-VQTJNVASSA-N 1 1 372.509 2.463 40 0 FEABMO S=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCOCC1)Nc1ccccc1 ZINC000020503782 120050255 /nfs/dbraw/zinc/05/02/55/120050255.db2.gz ACAMIWCGVBLJJL-JENIJYKNSA-N 1 1 374.554 2.016 40 0 biogenic,in-vitro FEABMO C[N@H+]1CCN(C(=O)c2ccnnc2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257245284 530069816 /nfs/dbraw/zinc/06/98/16/530069816.db2.gz IOVFRVDICRJHOY-INIZCTEOSA-N 1 1 361.449 2.271 40 0 FEABMO COc1cc(NC(=S)NC[C@@H]2CCC[N@@H+](C)C2)cc(OC)c1OC ZINC000009876280 539509008 /nfs/dbraw/zinc/50/90/08/539509008.db2.gz HJBRULBGMMGZFB-LBPRGKRZSA-N 1 1 353.488 2.341 40 0 FEABMO Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCC[N@@H+](CCC(N)=O)C2)on1 ZINC000012121233 539545010 /nfs/dbraw/zinc/54/50/10/539545010.db2.gz ZAHFGAYMWFEFPY-CQSZACIVSA-N 1 1 368.441 2.056 40 0 FEABMO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)cn1 ZINC000012119209 539545069 /nfs/dbraw/zinc/54/50/69/539545069.db2.gz ZKWBRSUQJCHXSB-OAHLLOKOSA-N 1 1 353.426 2.288 40 0 FEABMO CN(C)c1ncc(C[N@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)cn1 ZINC000012119209 539545072 /nfs/dbraw/zinc/54/50/72/539545072.db2.gz ZKWBRSUQJCHXSB-OAHLLOKOSA-N 1 1 353.426 2.288 40 0 FEABMO COc1ccccc1C1(O)CC[NH+](CCNC(=O)c2oc(C)nc2C)CC1 ZINC000012326266 539554903 /nfs/dbraw/zinc/55/49/03/539554903.db2.gz BOKPXXMZHSCQEX-UHFFFAOYSA-N 1 1 373.453 2.013 40 0 FEABMO CN1C(=O)COc2ccc(NC(=O)[C@H](c3ccc(F)cc3)[NH+](C)C)cc21 ZINC000019590974 539662899 /nfs/dbraw/zinc/66/28/99/539662899.db2.gz ZSWZALAZZRVLJK-SFHVURJKSA-N 1 1 357.385 2.422 40 0 FEABMO Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)COC(C)C)[nH+]1 ZINC000019698250 539665158 /nfs/dbraw/zinc/66/51/58/539665158.db2.gz NAGKVICTNQWQBA-IBGZPJMESA-N 1 1 360.502 2.230 40 0 FEABMO CN(C)c1ncc(-c2cncnc2)c([C@H]2C[N@H+](CC(C)(C)C)CCO2)n1 ZINC000019694973 539665347 /nfs/dbraw/zinc/66/53/47/539665347.db2.gz RMRCQYFUHYQQQP-MRXNPFEDSA-N 1 1 356.474 2.419 40 0 FEABMO CN(C)c1ncc(-c2cncnc2)c([C@H]2C[N@@H+](CC(C)(C)C)CCO2)n1 ZINC000019694973 539665352 /nfs/dbraw/zinc/66/53/52/539665352.db2.gz RMRCQYFUHYQQQP-MRXNPFEDSA-N 1 1 356.474 2.419 40 0 FEABMO C[NH+]1CCN(C[C@H](O)COCC(c2ccccc2)c2ccccc2)CC1 ZINC000040373083 540009934 /nfs/dbraw/zinc/00/99/34/540009934.db2.gz KOIFOVXMMXNPPY-NRFANRHFSA-N 1 1 354.494 2.443 40 0 FEABMO C[NH+](C)Cc1c[nH]c([C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)CCO2)n1 ZINC000257293611 223053731 /nfs/dbraw/zinc/05/37/31/223053731.db2.gz QQJIECCTPABPFG-KRWDZBQOSA-N 1 1 353.426 2.166 40 0 FEABMO C[NH+](C)Cc1cnc([C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)CCO2)[nH]1 ZINC000257293611 223053739 /nfs/dbraw/zinc/05/37/39/223053739.db2.gz QQJIECCTPABPFG-KRWDZBQOSA-N 1 1 353.426 2.166 40 0 FEABMO Cn1nc(C(=O)N2[C@H](c3ccccc3)C[C@@H]3[C@@H]2CCCC[N@H+]3C)ccc1=O ZINC000257339797 223072141 /nfs/dbraw/zinc/07/21/41/223072141.db2.gz ZDFMTTBJEORQDS-GBESFXJTSA-N 1 1 366.465 2.220 40 0 FEABMO O=c1c(-c2ccccc2)nnc2n1CC[C@@]21CC[N@@H+](Cc2ccncc2)C1 ZINC000306131423 223108460 /nfs/dbraw/zinc/10/84/60/223108460.db2.gz KDXMYERBIVJOIR-OAQYLSRUSA-N 1 1 359.433 2.248 40 0 FEABMO O=C(NC1CCCC1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccsc3)C[C@H]1C2 ZINC000306144776 223115298 /nfs/dbraw/zinc/11/52/98/223115298.db2.gz ZOJDJVMDLXPIKE-CABCVRRESA-N 1 1 371.510 2.316 40 0 FEABMO O=C(c1cc[nH]n1)N1CC[N@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355190 541801434 /nfs/dbraw/zinc/80/14/34/541801434.db2.gz VXTWOFQIAXICJZ-INIZCTEOSA-N 1 1 353.470 2.364 40 0 FEABMO O=C(c1ccn[nH]1)N1CC[N@@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355190 541801438 /nfs/dbraw/zinc/80/14/38/541801438.db2.gz VXTWOFQIAXICJZ-INIZCTEOSA-N 1 1 353.470 2.364 40 0 FEABMO O=C(c1ccn[nH]1)N1CC[N@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355190 541801441 /nfs/dbraw/zinc/80/14/41/541801441.db2.gz VXTWOFQIAXICJZ-INIZCTEOSA-N 1 1 353.470 2.364 40 0 FEABMO O=C(C[C@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O)Nc1cccc(OC(F)(F)F)c1 ZINC000013625220 220079424 /nfs/dbraw/zinc/07/94/24/220079424.db2.gz GWTWKJGMTNILML-HZSPNIEDSA-N 1 1 371.359 2.313 40 0 FEABMO c1coc(-c2nc(NCCC[NH+]3CCOCC3)ncc2-c2cnccn2)c1 ZINC000019342412 220251521 /nfs/dbraw/zinc/25/15/21/220251521.db2.gz GMUXISVIKRLACG-UHFFFAOYSA-N 1 1 366.425 2.328 40 0 FEABMO O=C(C[NH+]1CCC(c2nnc(-c3cccnc3)o2)CC1)N1CCCCC1 ZINC000019341437 220251862 /nfs/dbraw/zinc/25/18/62/220251862.db2.gz CACXZYQONJUOPS-UHFFFAOYSA-N 1 1 355.442 2.324 40 0 FEABMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000019372181 220253703 /nfs/dbraw/zinc/25/37/03/220253703.db2.gz YXDFBHUMRASGER-UHFFFAOYSA-N 1 1 367.449 2.214 40 0 FEABMO COc1cccc(CC(=O)N2CC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c1 ZINC000019590619 220277654 /nfs/dbraw/zinc/27/76/54/220277654.db2.gz UVTIZAXTTSPJSV-INIZCTEOSA-N 1 1 366.465 2.032 40 0 FEABMO Cc1nc2cc(NC(=O)C[N@H+]3CCC[C@@H]3Cn3cccn3)ccc2n1C ZINC000019658001 220282671 /nfs/dbraw/zinc/28/26/71/220282671.db2.gz HPYNOSCAGBZUHD-MRXNPFEDSA-N 1 1 352.442 2.181 40 0 FEABMO O=C(C[N@H+]1CCC[C@H](Cn2ccnc2)C1)Nc1ccccc1-n1ccnc1 ZINC000019717442 220289802 /nfs/dbraw/zinc/28/98/02/220289802.db2.gz NHUUWHHBBYUFCU-KRWDZBQOSA-N 1 1 364.453 2.420 40 0 FEABMO O=C1CO[C@H]2C[N@@H+](Cc3c[nH]c4ccccc34)C[C@H]2N1Cc1cccnc1 ZINC000067897130 221302976 /nfs/dbraw/zinc/30/29/76/221302976.db2.gz RDHYKUJEDDXRJQ-UXHICEINSA-N 1 1 362.433 2.175 40 0 biogenic,in-vitro FEABMO COc1ccc(C[N@H+]2CC[C@]3(CN(S(C)(=O)=O)c4cccnc43)C2)cc1 ZINC000306130144 533568083 /nfs/dbraw/zinc/56/80/83/533568083.db2.gz IXLJNISILNJFGM-LJQANCHMSA-N 1 1 373.478 2.014 40 0 FEABMO Cc1ccc(N2C[C@@]3(COCC[N@H+](Cc4cccnc4)C3)OCC2=O)cc1 ZINC000096240094 132223756 /nfs/dbraw/zinc/22/37/56/132223756.db2.gz PCGDADGHVYHLFN-NRFANRHFSA-N 1 1 367.449 2.024 40 0 FEABMO Cc1ccc(N2C[C@@]3(COCC[N@@H+](Cc4cccnc4)C3)OCC2=O)cc1 ZINC000096240094 132223758 /nfs/dbraw/zinc/22/37/58/132223758.db2.gz PCGDADGHVYHLFN-NRFANRHFSA-N 1 1 367.449 2.024 40 0 FEABMO Cc1cccc(N2CCC[C@H](N(C)C(=O)c3ccc4n[nH]nc4c3)C2)[nH+]1 ZINC000257257708 132296079 /nfs/dbraw/zinc/29/60/79/132296079.db2.gz KQUJBBKPFPOTTJ-HNNXBMFYSA-N 1 1 350.426 2.402 40 0 FEABMO Fc1ccc(C[N@@H+]2C[C@@H]3c4nc(N5CCOCC5)ncc4C[C@@H]3C2)cc1 ZINC000306138797 132301872 /nfs/dbraw/zinc/30/18/72/132301872.db2.gz SHSWCXOFZHSZIQ-AEFFLSMTSA-N 1 1 354.429 2.224 40 0 FEABMO Cc1nc(NCC[NH+](C)C)cc(N2CCc3cc([C@@H](C)O)ccc3C2)n1 ZINC000328968413 132372020 /nfs/dbraw/zinc/37/20/20/132372020.db2.gz CYPWPKACTJZOFW-CQSZACIVSA-N 1 1 355.486 2.375 40 0 FEABMO CC(=O)N1CC2(CCN(C(=O)Cn3cc[nH+]c3C)CC2)Nc2ccccc21 ZINC000072327190 136144218 /nfs/dbraw/zinc/14/42/18/136144218.db2.gz NILAOFWCPGCMEJ-UHFFFAOYSA-N 1 1 367.453 2.031 40 0 FEABMO Cc1ncsc1C[N@H+]1CC[C@H]2O[C@H](C(=O)Nc3cnccn3)CC[C@H]21 ZINC000096040905 542988012 /nfs/dbraw/zinc/98/80/12/542988012.db2.gz BIARCNNVRYNVGJ-MCIONIFRSA-N 1 1 359.455 2.002 40 0 FEABMO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccco3)C[C@H]2O1 ZINC000096043033 542988166 /nfs/dbraw/zinc/98/81/66/542988166.db2.gz NWGSMJSKQZCWBA-ZYSHUDEJSA-N 1 1 355.438 2.313 40 0 FEABMO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccco3)C[C@H]2O1 ZINC000096043033 542988170 /nfs/dbraw/zinc/98/81/70/542988170.db2.gz NWGSMJSKQZCWBA-ZYSHUDEJSA-N 1 1 355.438 2.313 40 0 FEABMO COc1ccccc1C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccncc3)[C@H]2C1 ZINC000108526487 543292234 /nfs/dbraw/zinc/29/22/34/543292234.db2.gz HFLQOXLAPLAQKX-ICSRJNTNSA-N 1 1 367.449 2.206 40 0 FEABMO COc1ccccc1C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccncc3)[C@H]2C1 ZINC000108526487 543292237 /nfs/dbraw/zinc/29/22/37/543292237.db2.gz HFLQOXLAPLAQKX-ICSRJNTNSA-N 1 1 367.449 2.206 40 0 FEABMO Cc1nn(C)cc1C[N@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108532058 543292244 /nfs/dbraw/zinc/29/22/44/543292244.db2.gz RUZRTZXNRVMUPY-WBVHZDCISA-N 1 1 352.429 2.198 40 0 FEABMO 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C[N@H+]1CC[C@H](COCC2CCCC2)CC12CN(C(=O)c1ccnnc1)C2 ZINC000306138949 529804790 /nfs/dbraw/zinc/80/47/90/529804790.db2.gz SLJULFWUYDYUJY-KRWDZBQOSA-N 1 1 358.486 2.220 40 0 FEABMO CNC(=O)c1sc2nccnc2c1C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000257334896 529954942 /nfs/dbraw/zinc/95/49/42/529954942.db2.gz YHUYGLFOLKVITP-UHFFFAOYSA-N 1 1 373.526 2.325 40 0 FEABMO COC(=O)C1=CO[C@H](C)[C@@H]2C[N@H+]3CC[C@]4(C(=O)Nc5ccccc54)[C@H]3C[C@H]12 ZINC000008306334 539483242 /nfs/dbraw/zinc/48/32/42/539483242.db2.gz JMIAZDVHNCCPDM-AXNKXFHKSA-N 1 1 368.433 2.063 40 0 biogenic,in-vitro FEABMO Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)on1 ZINC000012121243 539544791 /nfs/dbraw/zinc/54/47/91/539544791.db2.gz HIPWLQXLNYNYLO-UONOGXRCSA-N 1 1 368.441 2.054 40 0 FEABMO Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)on1 ZINC000012121243 539544795 /nfs/dbraw/zinc/54/47/95/539544795.db2.gz HIPWLQXLNYNYLO-UONOGXRCSA-N 1 1 368.441 2.054 40 0 FEABMO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3c4nc(C)[nH]c(=O)c4CC[C@@H]3C2)cc1 ZINC000012119981 539545232 /nfs/dbraw/zinc/54/52/32/539545232.db2.gz LULLDDSJSHYVBR-QAPCUYQASA-N 1 1 352.438 2.199 40 0 FEABMO Cc1cccc(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)c1 ZINC000012184313 539548468 /nfs/dbraw/zinc/54/84/68/539548468.db2.gz GQIFZOJMKIFTPB-IYBDPMFKSA-N 1 1 368.481 2.250 40 0 FEABMO Cc1cccc(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)c1 ZINC000012184313 539548470 /nfs/dbraw/zinc/54/84/70/539548470.db2.gz GQIFZOJMKIFTPB-IYBDPMFKSA-N 1 1 368.481 2.250 40 0 FEABMO COc1ccc([C@](O)(CC[NH+]2CCOCC2)c2ccc3c(c2)OCO3)cc1 ZINC000031623916 539913693 /nfs/dbraw/zinc/91/36/93/539913693.db2.gz ARBLWOAVYXCWCG-OAQYLSRUSA-N 1 1 371.433 2.382 40 0 FEABMO Cc1ccc(C(=O)N2CC[C@](O)(C[N@@H+](C)Cc3ccc(F)cc3)C2)cn1 ZINC000257210658 223020495 /nfs/dbraw/zinc/02/04/95/223020495.db2.gz BVPLFDAJZMCWMB-FQEVSTJZSA-N 1 1 357.429 2.238 40 0 FEABMO CN(C)Cc1cnn2c1nccc2C1CC[NH+](CC2CCOCC2)CC1 ZINC000257229815 223029064 /nfs/dbraw/zinc/02/90/64/223029064.db2.gz FZONCIOKPWFOGF-UHFFFAOYSA-N 1 1 357.502 2.397 40 0 FEABMO C[C@]12CC[N@@H+](CC(N)=O)[C@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000257275456 223046454 /nfs/dbraw/zinc/04/64/54/223046454.db2.gz NPMJICMGTKFGIS-YOEHRIQHSA-N 1 1 369.387 2.146 40 0 FEABMO Cc1noc(C)c1-c1nc([C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)ccc1CO ZINC000257320733 223064065 /nfs/dbraw/zinc/06/40/65/223064065.db2.gz VYHSTZQWDUECMD-OAHLLOKOSA-N 1 1 372.469 2.113 40 0 FEABMO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000257336947 223070429 /nfs/dbraw/zinc/07/04/29/223070429.db2.gz YQSFNYYIDXZKNV-ZDUSSCGKSA-N 1 1 370.482 2.267 40 0 FEABMO Cn1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cn1 ZINC000306123662 223105364 /nfs/dbraw/zinc/10/53/64/223105364.db2.gz ATHBYGPGNSNRLD-QGZVFWFLSA-N 1 1 365.485 2.443 40 0 FEABMO COc1ccccc1C[N@H+]1C[C@H]2OC[C@@H](CNC(=O)c3cscn3)[C@H]2C1 ZINC000306140789 223112910 /nfs/dbraw/zinc/11/29/10/223112910.db2.gz VEGRUDCNKWEEHH-IIDMSEBBSA-N 1 1 373.478 2.029 40 0 FEABMO COC[C@H]1CN(C(=O)c2ccccn2)CC[N@@H+](CCc2ccccc2)C1 ZINC000072354476 541801036 /nfs/dbraw/zinc/80/10/36/541801036.db2.gz DKDIWWANERPXOC-LJQANCHMSA-N 1 1 353.466 2.345 40 0 FEABMO CN(C)c1cc(C[C@H]2CN(C(=O)C3CCCCC3)CC[N@@H+](C)C2)ncn1 ZINC000072355085 541801204 /nfs/dbraw/zinc/80/12/04/541801204.db2.gz FPAKJVSEZJWFFV-MRXNPFEDSA-N 1 1 359.518 2.056 40 0 FEABMO Cc1nn(C[C@@H](C)C(=O)N2CC[NH+](CCOC(C)C)CC2)c(C)c1C ZINC000072390334 541803668 /nfs/dbraw/zinc/80/36/68/541803668.db2.gz HNIZXYXYIZPDIF-OAHLLOKOSA-N 1 1 350.507 2.014 40 0 FEABMO CC(=O)NCCn1nc([C@H]2CC[N@H+](C3CCCCC3)C2)c2nccnc21 ZINC000019021526 220234000 /nfs/dbraw/zinc/23/40/00/220234000.db2.gz KERVPYRTLUWTHF-HNNXBMFYSA-N 1 1 356.474 2.084 40 0 FEABMO CC(C)CCNC(=O)c1ccc2c(c1)nc1n(c2=O)CC[N@H+](C(C)C)CC1 ZINC000019446956 220257798 /nfs/dbraw/zinc/25/77/98/220257798.db2.gz TYIHTKZLAWQEGP-UHFFFAOYSA-N 1 1 370.497 2.439 40 0 FEABMO CN(C)c1nc2ccccc2cc1CN1C[C@H]2CCC[N@H+]2C[C@@H]1CCO ZINC000019584047 220276319 /nfs/dbraw/zinc/27/63/19/220276319.db2.gz BNSCGDLQHLMMGT-MOPGFXCFSA-N 1 1 354.498 2.332 40 0 FEABMO C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)COc3ccccc3)ncc2C1 ZINC000019590516 220278095 /nfs/dbraw/zinc/27/80/95/220278095.db2.gz AFFXMRILAVUPDC-SFHVURJKSA-N 1 1 352.438 2.207 40 0 FEABMO COc1cccc(OC[C@@H]2CCC[N@H+](CC(=O)Nc3cnn(C)c3)C2)c1 ZINC000019658868 220283605 /nfs/dbraw/zinc/28/36/05/220283605.db2.gz HIGMRHBTXGRHTB-OAHLLOKOSA-N 1 1 358.442 2.158 40 0 FEABMO COc1cccc(OC[C@@H]2CCC[N@@H+](CC(=O)Nc3cnn(C)c3)C2)c1 ZINC000019658868 220283611 /nfs/dbraw/zinc/28/36/11/220283611.db2.gz HIGMRHBTXGRHTB-OAHLLOKOSA-N 1 1 358.442 2.158 40 0 FEABMO CNc1nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708856 220288513 /nfs/dbraw/zinc/28/85/13/220288513.db2.gz IRABJNGVZXKPTN-OAHLLOKOSA-N 1 1 357.502 2.402 40 0 FEABMO CNc1nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708856 220288517 /nfs/dbraw/zinc/28/85/17/220288517.db2.gz IRABJNGVZXKPTN-OAHLLOKOSA-N 1 1 357.502 2.402 40 0 FEABMO Cc1onc(C(C)C)c1C(=O)N1CCC[C@H]1c1nnc2n1CC[N@H+](C)CC2 ZINC000019710778 220288754 /nfs/dbraw/zinc/28/87/54/220288754.db2.gz UVYVPNQWYSYTIS-AWEZNQCLSA-N 1 1 372.473 2.163 40 0 FEABMO COc1cccc(CC(=O)NCc2cnc(C)nc2[C@H]2CCC[N@H+]2C)c1 ZINC000257313675 533447573 /nfs/dbraw/zinc/44/75/73/533447573.db2.gz UTOYYNXXIOFJPC-GOSISDBHSA-N 1 1 354.454 2.419 40 0 FEABMO Cc1noc(C)c1C[N@@H+]1CC[C@]2(C1)CN(c1ccccc1)C(=O)CN2C ZINC000096237881 132223371 /nfs/dbraw/zinc/22/33/71/132223371.db2.gz RVWUPYBTLPOLGI-FQEVSTJZSA-N 1 1 354.454 2.215 40 0 FEABMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCN(c2ncccn2)C1 ZINC000170613773 132264815 /nfs/dbraw/zinc/26/48/15/132264815.db2.gz TZKYNUNTCGQBNH-KURKYZTESA-N 1 1 357.502 2.074 40 0 FEABMO CO[C@H]1CC[N@H+](CC(=O)N2CCSc3ccccc32)C[C@]12CCCO2 ZINC000257305599 132296857 /nfs/dbraw/zinc/29/68/57/132296857.db2.gz SQSMBPMUFGUTNV-PKOBYXMFSA-N 1 1 362.495 2.395 40 0 FEABMO CO[C@H]1CC[N@@H+](CC(=O)N2CCSc3ccccc32)C[C@]12CCCO2 ZINC000257305599 132296858 /nfs/dbraw/zinc/29/68/58/132296858.db2.gz SQSMBPMUFGUTNV-PKOBYXMFSA-N 1 1 362.495 2.395 40 0 FEABMO CN(C)C(=O)COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cccs1)C2 ZINC000096039754 542987961 /nfs/dbraw/zinc/98/79/61/542987961.db2.gz RUSLCUHAPSHNIG-WMZOPIPTSA-N 1 1 352.500 2.224 40 0 FEABMO Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CC[N@@H+](CC3CCOCC3)C[C@@H]2O1 ZINC000096043285 542988643 /nfs/dbraw/zinc/98/86/43/542988643.db2.gz KMVHPQCFDNNBKV-UHOSZYNNSA-N 1 1 359.470 2.235 40 0 FEABMO COCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(F)c3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185185 222070937 /nfs/dbraw/zinc/07/09/37/222070937.db2.gz FLNNMAHVISXXQX-LPHOPBHVSA-N 1 1 350.434 2.071 40 0 FEABMO COCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(F)c3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185185 222070940 /nfs/dbraw/zinc/07/09/40/222070940.db2.gz FLNNMAHVISXXQX-LPHOPBHVSA-N 1 1 350.434 2.071 40 0 FEABMO COCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185185 222070942 /nfs/dbraw/zinc/07/09/42/222070942.db2.gz FLNNMAHVISXXQX-LPHOPBHVSA-N 1 1 350.434 2.071 40 0 FEABMO COC[C@@H]1CCC2(CCN(C(=O)COc3ccc(F)cc3)CC2)[N@H+]1C ZINC000096209130 222077853 /nfs/dbraw/zinc/07/78/53/222077853.db2.gz MBLXJJIGRAFKTC-INIZCTEOSA-N 1 1 350.434 2.306 40 0 FEABMO O=C1NC[C@@H](COc2cccnc2)[C@]12CC[N@H+](Cc1ccccc1F)C2 ZINC000096219605 222083617 /nfs/dbraw/zinc/08/36/17/222083617.db2.gz KPCGULVZUKQGDQ-OXJNMPFZSA-N 1 1 355.413 2.238 40 0 FEABMO Cc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)n1 ZINC000096223428 222085758 /nfs/dbraw/zinc/08/57/58/222085758.db2.gz JBUUJDJXCWRWSU-AZUAARDMSA-N 1 1 353.470 2.440 40 0 FEABMO O=C(NCc1cccnc1)C1=NO[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC000096225814 222087253 /nfs/dbraw/zinc/08/72/53/222087253.db2.gz MPEDLCLOYLGZNM-HXUWFJFHSA-N 1 1 356.470 2.499 40 0 FEABMO CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccoc3)C[C@@H]12 ZINC000247537526 549352346 /nfs/dbraw/zinc/35/23/46/549352346.db2.gz RBCHKDGWZFZAAZ-RTBURBONSA-N 1 1 360.479 2.457 40 0 FEABMO CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3ccoc3)C[C@@H]12 ZINC000247537526 549352349 /nfs/dbraw/zinc/35/23/49/549352349.db2.gz RBCHKDGWZFZAAZ-RTBURBONSA-N 1 1 360.479 2.457 40 0 FEABMO Cc1ncc(C[NH+](C)C)c([C@@H]2CCCN2C(=O)CCCn2ccnc2)n1 ZINC000257264322 534734008 /nfs/dbraw/zinc/73/40/08/534734008.db2.gz LTWZBPVGWUPRHF-KRWDZBQOSA-N 1 1 356.474 2.187 40 0 FEABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2N1Cc1ccccn1 ZINC000306138508 534853505 /nfs/dbraw/zinc/85/35/05/534853505.db2.gz RZDQRXIPWIIBLZ-VQTJNVASSA-N 1 1 359.433 2.360 40 0 FEABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2N1Cc1ccccn1 ZINC000306138508 534853507 /nfs/dbraw/zinc/85/35/07/534853507.db2.gz RZDQRXIPWIIBLZ-VQTJNVASSA-N 1 1 359.433 2.360 40 0 FEABMO CCCCc1nc(CN2CCO[C@@H](c3nccc(C[NH+](C)C)n3)C2)c[nH]1 ZINC000257213318 529040111 /nfs/dbraw/zinc/04/01/11/529040111.db2.gz CHAYVBLPAWHEPI-QGZVFWFLSA-N 1 1 358.490 2.177 40 0 FEABMO CC[NH+]1CCN(C(=O)c2ccc(C)cc2I)CC1 ZINC000225019527 548730150 /nfs/dbraw/zinc/73/01/50/548730150.db2.gz IQGJIFZOGIDDNR-UHFFFAOYSA-N 1 1 358.223 2.377 40 0 FEABMO O=C(C[C@@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21)NCCc1cccs1 ZINC000247886077 549390013 /nfs/dbraw/zinc/39/00/13/549390013.db2.gz XBOJLUHWESGVDX-QGZVFWFLSA-N 1 1 374.510 2.229 40 0 FEABMO O=C(C[C@@H]1C[N@H+](C2CCOCC2)Cc2ccnn21)NCCc1cccs1 ZINC000247886077 549390017 /nfs/dbraw/zinc/39/00/17/549390017.db2.gz XBOJLUHWESGVDX-QGZVFWFLSA-N 1 1 374.510 2.229 40 0 FEABMO COCC(=O)NCC[C@@H]1Cn2nccc2C[N@@H+](Cc2sccc2C)C1 ZINC000253599048 549697691 /nfs/dbraw/zinc/69/76/91/549697691.db2.gz KJNBDAXFEVVBGP-HNNXBMFYSA-N 1 1 362.499 2.038 40 0 FEABMO Cn1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](NC(=O)C3CC3)[C@@H]2c2ccccc2)cn1 ZINC000514289924 560031442 /nfs/dbraw/zinc/03/14/42/560031442.db2.gz NNOHHAITGJBNKN-IRFCIJBXSA-N 1 1 368.481 2.013 40 0 biogenic,in-vitro FEABMO Cn1cc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)C3CC3)[C@@H]2c2ccccc2)cn1 ZINC000514289924 560031443 /nfs/dbraw/zinc/03/14/43/560031443.db2.gz NNOHHAITGJBNKN-IRFCIJBXSA-N 1 1 368.481 2.013 40 0 biogenic,in-vitro FEABMO COc1cc(C[N@@H+](C)C[C@@H](O)COC2CCCCC2)ccc1OCCO ZINC000585262595 570481631 /nfs/dbraw/zinc/48/16/31/570481631.db2.gz YLBNCVNNEIKXLS-QGZVFWFLSA-N 1 1 367.486 2.208 40 0 FEABMO C[C@@]1(C(=O)NCCO)CCC[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000585271104 570485414 /nfs/dbraw/zinc/48/54/14/570485414.db2.gz QWBHHRQFSDMQQQ-NRFANRHFSA-N 1 1 369.465 2.124 40 0 FEABMO CC(=O)N1CC[N@H+](C2CCCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585282115 570492589 /nfs/dbraw/zinc/49/25/89/570492589.db2.gz XXKYIQLIENCBMF-FQEVSTJZSA-N 1 1 364.461 2.351 40 0 FEABMO CC[N@@H+](C[C@@]1(O)CN(C(=O)Cc2ccccc2)CC[C@@H]1O)C1CCCCC1 ZINC000585284569 570493941 /nfs/dbraw/zinc/49/39/41/570493941.db2.gz LWCCKUSQMXBMAS-RBBKRZOGSA-N 1 1 374.525 2.208 40 0 FEABMO Cc1cc(C)cc(OC[C@@]2(O)C[N@@H+](CC3(O)CCCCC3)CC[C@@H]2O)c1 ZINC000585287776 570495992 /nfs/dbraw/zinc/49/59/92/570495992.db2.gz RFUHJIHLMHHGGV-FPOVZHCZSA-N 1 1 363.498 2.175 40 0 FEABMO COc1cccc([C@H]2CO[C@]3(C2)C[N@H+](Cc2cnn(C)c2)C[C@H]3OC)c1 ZINC000585290825 570496556 /nfs/dbraw/zinc/49/65/56/570496556.db2.gz HANRRYSWTKTQRL-MISYRCLQSA-N 1 1 357.454 2.202 40 0 FEABMO COc1ncccc1C[N@@H+]1CCn2c(COCC3CC3)nnc2C[C@@H]1C ZINC000585097149 571221128 /nfs/dbraw/zinc/22/11/28/571221128.db2.gz GEXZGXIMXLTLMV-AWEZNQCLSA-N 1 1 357.458 2.055 40 0 FEABMO COc1ncccc1C[N@H+]1CCn2c(COCC3CC3)nnc2C[C@@H]1C ZINC000585097149 571221130 /nfs/dbraw/zinc/22/11/30/571221130.db2.gz GEXZGXIMXLTLMV-AWEZNQCLSA-N 1 1 357.458 2.055 40 0 FEABMO Cc1nc(C)c(C[N@@H+]2CCC[C@@]3(CN(c4ccc(=O)n(C)c4)C3=O)C2)s1 ZINC000585099457 571221790 /nfs/dbraw/zinc/22/17/90/571221790.db2.gz LIEVTIYOJKCZPL-IBGZPJMESA-N 1 1 372.494 2.088 40 0 FEABMO CC(=O)N1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1cc(C)on1)CC2 ZINC000585103618 571222622 /nfs/dbraw/zinc/22/26/22/571222622.db2.gz PXXGUBVKQAAOCV-GOSISDBHSA-N 1 1 361.486 2.470 40 0 FEABMO CC(C)C[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000004873659 539395025 /nfs/dbraw/zinc/39/50/25/539395025.db2.gz JXZZTUJQAUBQAG-QGZVFWFLSA-N 1 1 374.464 2.145 40 0 FEABMO C[N@H+]1CCN(C(=O)c2ccnnc2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257245285 530069926 /nfs/dbraw/zinc/06/99/26/530069926.db2.gz IOVFRVDICRJHOY-MRXNPFEDSA-N 1 1 361.449 2.271 40 0 FEABMO COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[nH]c(N[C@@H](C)CN(C)C)n2)c1 ZINC000012163647 539547517 /nfs/dbraw/zinc/54/75/17/539547517.db2.gz JPSHSXKUUXDZIA-RRQGHBQHSA-N 1 1 371.485 2.023 40 0 FEABMO Cc1cc(C)nc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)C[C@H](C)O4)CC2)n1 ZINC000036741411 539994230 /nfs/dbraw/zinc/99/42/30/539994230.db2.gz ZVLKYRRWIIWDKM-LPHOPBHVSA-N 1 1 368.481 2.272 40 0 FEABMO c1cc(C[NH+]2CCC(Cc3cnc(Nc4cnccn4)cn3)CC2)n[nH]1 ZINC000257206945 223018528 /nfs/dbraw/zinc/01/85/28/223018528.db2.gz BFPQEHAICKPVDG-UHFFFAOYSA-N 1 1 350.430 2.188 40 0 FEABMO Cc1ccc(C[C@H]2CCC[N@H+](C3CCN(S(C)(=O)=O)CC3)C2)cn1 ZINC000257220046 223025423 /nfs/dbraw/zinc/02/54/23/223025423.db2.gz DJHCQEKPPJACTC-QGZVFWFLSA-N 1 1 351.516 2.069 40 0 FEABMO CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000257309219 223060943 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FEABMO CC(=O)N1CCc2nnc([C@@H]3CCCC[N@H+]3CCc3ccccc3)n2CC1 ZINC000072372806 541802359 /nfs/dbraw/zinc/80/23/59/541802359.db2.gz NVHBCYFCBLXNQF-IBGZPJMESA-N 1 1 367.497 2.452 40 0 FEABMO O=c1c(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2CCO)coc2ccc(Cl)cc12 ZINC000019345962 220251794 /nfs/dbraw/zinc/25/17/94/220251794.db2.gz BYJHPQROYMJSIS-CVEARBPZSA-N 1 1 362.857 2.477 40 0 FEABMO COc1cc(C[N@H+]2CCC[C@@H]2Cn2nnc(-c3ccncc3)n2)ccc1O ZINC000019550075 220271275 /nfs/dbraw/zinc/27/12/75/220271275.db2.gz KHNWXOITVLJJAN-MRXNPFEDSA-N 1 1 366.425 2.114 40 0 FEABMO C[N@H+]1CC[C@@H](c2nn(CCNC(=O)Cc3ccccc3)c3ncccc23)C1 ZINC000019587914 220277225 /nfs/dbraw/zinc/27/72/25/220277225.db2.gz SYHCQZJYNGOOHE-QGZVFWFLSA-N 1 1 363.465 2.209 40 0 FEABMO COc1cccc(C(=O)N2CC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c1 ZINC000019590641 220278598 /nfs/dbraw/zinc/27/85/98/220278598.db2.gz SRWGJYPQXPLHTF-HNNXBMFYSA-N 1 1 352.438 2.103 40 0 FEABMO Cc1nn(C)cc1NC(=O)C[N@@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019658844 220282708 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CCOC(=O)c1n[nH]cc1C[N@H+]1CCCN(c2cccc(OC)c2)CC1 ZINC000057811403 221094241 /nfs/dbraw/zinc/09/42/41/221094241.db2.gz UNQIWRICXVEMSI-UHFFFAOYSA-N 1 1 358.442 2.307 40 0 FEABMO O=C1CO[C@]2(CN1c1ccccc1)COCC[N@H+](Cc1ccsc1)C2 ZINC000096051264 132217891 /nfs/dbraw/zinc/21/78/91/132217891.db2.gz SXRLYWKUWNWYCR-LJQANCHMSA-N 1 1 358.463 2.383 40 0 FEABMO O=C1CO[C@]2(CN1c1ccccc1)COCC[N@@H+](Cc1ccsc1)C2 ZINC000096051264 132217892 /nfs/dbraw/zinc/21/78/92/132217892.db2.gz SXRLYWKUWNWYCR-LJQANCHMSA-N 1 1 358.463 2.383 40 0 FEABMO Cc1ccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2ccccn2)C3)nn1 ZINC000096229303 132223236 /nfs/dbraw/zinc/22/32/36/132223236.db2.gz LSMAXNKACQWEBO-HXUWFJFHSA-N 1 1 353.470 2.299 40 0 FEABMO Cc1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2ccccn2)C3)nn1 ZINC000096229303 132223237 /nfs/dbraw/zinc/22/32/37/132223237.db2.gz LSMAXNKACQWEBO-HXUWFJFHSA-N 1 1 353.470 2.299 40 0 FEABMO Fc1ccc(C[N@H+]2C[C@@H]3Cc4cnc(N5CCOCC5)nc4[C@@H]3C2)cc1 ZINC000306138798 132301954 /nfs/dbraw/zinc/30/19/54/132301954.db2.gz SHSWCXOFZHSZIQ-FUHWJXTLSA-N 1 1 354.429 2.224 40 0 FEABMO COc1c(C)cccc1C[NH+]1CCN(c2ncc3c(n2)CCOC3)CC1 ZINC000019235992 136152365 /nfs/dbraw/zinc/15/23/65/136152365.db2.gz GKKPYCGXURQQPZ-UHFFFAOYSA-N 1 1 354.454 2.189 40 0 FEABMO COc1ccc(C[N@H+]2CC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cc1 ZINC000096047571 542988799 /nfs/dbraw/zinc/98/87/99/542988799.db2.gz GQGJJUPTGWJLGK-QFBILLFUSA-N 1 1 358.417 2.470 40 0 FEABMO CC(C)[N@@H+](C)C[C@H]1CO[C@@]2(C1)COCCN(C(=O)c1cccs1)C2 ZINC000107738721 543277537 /nfs/dbraw/zinc/27/75/37/543277537.db2.gz GDCUUKRFJQTSOK-MAUKXSAKSA-N 1 1 352.500 2.336 40 0 FEABMO Cn1cc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)CC2)cn1 ZINC000108525248 543292541 /nfs/dbraw/zinc/29/25/41/543292541.db2.gz WRKRYXMERSLKJN-FQEVSTJZSA-N 1 1 353.470 2.220 40 0 FEABMO O=C(Cc1cccc(F)c1)N1C[C@@H]2C[N@@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC000096108151 222026394 /nfs/dbraw/zinc/02/63/94/222026394.db2.gz DDTMWGKDTFEJAO-QFBILLFUSA-N 1 1 358.413 2.321 40 0 FEABMO COc1ccc(CN2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)cc1 ZINC000096052024 222002643 /nfs/dbraw/zinc/00/26/43/222002643.db2.gz IMJWWMLLRMXRHX-TZIWHRDSSA-N 1 1 360.498 2.399 40 0 FEABMO Cc1ccc(C[N@H+]2CC[C@]3(CC(C(=O)NC[C@@H]4CCCO4)=NO3)C2)cc1C ZINC000096074518 222011971 /nfs/dbraw/zinc/01/19/71/222011971.db2.gz RWMWZYUBRKBXMG-RXVVDRJESA-N 1 1 371.481 2.319 40 0 FEABMO C[N@@H+](Cc1cccnc1)C1CC2(C1)CCN(C(=O)c1ccnnc1)CC2 ZINC000096159252 222058785 /nfs/dbraw/zinc/05/87/85/222058785.db2.gz XVLNXUHTHVSKSF-UHFFFAOYSA-N 1 1 351.454 2.388 40 0 FEABMO O=C(C[C@]12COC[C@H]1C[N@@H+](Cc1ccsc1)C2)NCc1ccccn1 ZINC000096206398 222076295 /nfs/dbraw/zinc/07/62/95/222076295.db2.gz ITLDMLKTVDGWFV-APWZRJJASA-N 1 1 357.479 2.298 40 0 FEABMO CCS(=O)(=O)N[C@@H]1CCO[C@]2(CC[N@@H+](Cc3cccc(C)c3)C2)C1 ZINC000096209216 222077524 /nfs/dbraw/zinc/07/75/24/222077524.db2.gz PWDBCGZYGANBAC-QZTJIDSGSA-N 1 1 352.500 2.058 40 0 FEABMO CCS(=O)(=O)N(C)C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1 ZINC000100687597 222249473 /nfs/dbraw/zinc/24/94/73/222249473.db2.gz ARAMIPIZFUDQEW-GASCZTMLSA-N 1 1 356.536 2.037 40 0 FEABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000257281501 534547905 /nfs/dbraw/zinc/54/79/05/534547905.db2.gz OPMXHJBCHYRZEA-HOCLYGCPSA-N 1 1 358.360 2.260 40 0 FEABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000257281501 534547912 /nfs/dbraw/zinc/54/79/12/534547912.db2.gz OPMXHJBCHYRZEA-HOCLYGCPSA-N 1 1 358.360 2.260 40 0 FEABMO Cc1ncc(C[NH+](C)C)c([C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1 ZINC000257274493 534733319 /nfs/dbraw/zinc/73/33/19/534733319.db2.gz NLHBETXXUBXPGH-MRXNPFEDSA-N 1 1 354.458 2.036 40 0 FEABMO Cc1ncc(CNC(=O)c2ccc3[nH]cnc3c2)c([C@@H]2CCC[N@@H+]2C)n1 ZINC000257243102 534739370 /nfs/dbraw/zinc/73/93/70/534739370.db2.gz IFMDZLWZGKFGPD-KRWDZBQOSA-N 1 1 350.426 2.358 40 0 FEABMO [NH3+]Cc1cc(I)c(O)c(I)c1 ZINC000043160264 527248930 /nfs/dbraw/zinc/24/89/30/527248930.db2.gz OJQYCMMFDXSDGB-UHFFFAOYSA-N 1 1 374.947 2.060 40 0 FEABMO CC(C)C[N@H+]1CC[C@H]2Cn3c(nn(CC4CCCCC4)c(=O)c3=O)[C@H]2C1 ZINC000306143455 528027830 /nfs/dbraw/zinc/02/78/30/528027830.db2.gz YCRWBSLOEXSKHO-IRXDYDNUSA-N 1 1 360.502 2.060 40 0 FEABMO CC(C)CNC(=O)c1[nH]nc2c1COC[C@]21CC[N@@H+](Cc2ccoc2)C1 ZINC000306123980 528059991 /nfs/dbraw/zinc/05/99/91/528059991.db2.gz BCBLMDKTWKPKBN-LJQANCHMSA-N 1 1 358.442 2.062 40 0 FEABMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCCOCC2)CC1 ZINC000183500080 547671418 /nfs/dbraw/zinc/67/14/18/547671418.db2.gz AHYJPVJLUPEHLE-HXUWFJFHSA-N 1 1 374.529 2.192 40 0 FEABMO COc1ccc(NC(=S)NCCC[NH+]2CCOCC2)c2cccnc12 ZINC000225586214 548738120 /nfs/dbraw/zinc/73/81/20/548738120.db2.gz HCDYEAHBQJSFAB-UHFFFAOYSA-N 1 1 360.483 2.252 40 0 FEABMO Cn1cnc2c1[C@H](C(=O)NCc1cccs1)C[N@@H+](CC1CCOCC1)C2 ZINC000248052451 549403693 /nfs/dbraw/zinc/40/36/93/549403693.db2.gz RQIGWPADNBPRPL-MRXNPFEDSA-N 1 1 374.510 2.124 40 0 FEABMO Cc1ccccc1C[NH+]1CC2(C1)C[C@H](OCC(=O)N1CCCC1)CCO2 ZINC000248131512 549409693 /nfs/dbraw/zinc/40/96/93/549409693.db2.gz AVMQYNLVICGVBH-LJQANCHMSA-N 1 1 358.482 2.367 40 0 FEABMO C[N@@H+](Cc1ccc(OCCF)cc1)C[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000257269727 549722998 /nfs/dbraw/zinc/72/29/98/549722998.db2.gz MRDJQYJULGZLAP-FQEVSTJZSA-N 1 1 374.460 2.288 40 0 FEABMO OCCCNc1nc(N2CCc3cc(Br)ccc3C2)cc[nH+]1 ZINC000329062413 571132664 /nfs/dbraw/zinc/13/26/64/571132664.db2.gz WXXIJENDIXTJRU-UHFFFAOYSA-N 1 1 363.259 2.596 40 0 FEABMO C[N@H+]1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)C3CC(F)C3)C2)C1 ZINC000585102631 571222933 /nfs/dbraw/zinc/22/29/33/571222933.db2.gz CRDRZWUJEAVSTM-CBJHCWRLSA-N 1 1 361.461 2.127 40 0 FEABMO COCC[N@H+]1C[C@H](COC)C2(C1)CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000585102884 571223135 /nfs/dbraw/zinc/22/31/35/571223135.db2.gz GHYKRAXPTOCDAH-QGZVFWFLSA-N 1 1 364.461 2.273 40 0 FEABMO C[N@@H+]1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1ccccn1)C2 ZINC000585102866 571223191 /nfs/dbraw/zinc/22/31/91/571223191.db2.gz LLUFLOZJESVRSQ-MRXNPFEDSA-N 1 1 352.438 2.092 40 0 FEABMO C[N@H+]1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1ccccn1)C2 ZINC000585102866 571223193 /nfs/dbraw/zinc/22/31/93/571223193.db2.gz LLUFLOZJESVRSQ-MRXNPFEDSA-N 1 1 352.438 2.092 40 0 FEABMO CCc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(C)=O ZINC000257322264 529759964 /nfs/dbraw/zinc/75/99/64/529759964.db2.gz WFGGJBBSIMEJAO-PFRQMTDMSA-N 1 1 358.486 2.226 40 0 FEABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCC[C@]2(C1)Nc1ccccc1C(=O)N2 ZINC000012087593 539542537 /nfs/dbraw/zinc/54/25/37/539542537.db2.gz YPXCTWJYIRAACQ-XOBRGWDASA-N 1 1 367.453 2.002 40 0 FEABMO O=C(C[N@H+]1CCC[C@@H](c2ncncc2-c2ccncc2)C1)N1CCCC1 ZINC000012118513 539544925 /nfs/dbraw/zinc/54/49/25/539544925.db2.gz UNJBHUIGUPOGKS-QGZVFWFLSA-N 1 1 351.454 2.340 40 0 FEABMO CN(C)c1ncc(-c2cncnc2)c([C@@H]2C[N@H+](CC(C)(C)C)CCO2)n1 ZINC000019694972 539665581 /nfs/dbraw/zinc/66/55/81/539665581.db2.gz RMRCQYFUHYQQQP-INIZCTEOSA-N 1 1 356.474 2.419 40 0 FEABMO CN(C)c1ncc(-c2cncnc2)c([C@@H]2C[N@@H+](CC(C)(C)C)CCO2)n1 ZINC000019694972 539665583 /nfs/dbraw/zinc/66/55/83/539665583.db2.gz RMRCQYFUHYQQQP-INIZCTEOSA-N 1 1 356.474 2.419 40 0 FEABMO Clc1ncccc1-c1noc(CN2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000023247798 539710011 /nfs/dbraw/zinc/71/00/11/539710011.db2.gz QWVVEHPQPBIOEK-CYBMUJFWSA-N 1 1 363.849 2.082 40 0 FEABMO Cc1nc(Nc2ncccn2)cc([C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000257310247 223060625 /nfs/dbraw/zinc/06/06/25/223060625.db2.gz UEJJLVBCALWGDY-CQSZACIVSA-N 1 1 350.430 2.421 40 0 FEABMO Cc1nc(Nc2ncccn2)cc([C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000257310247 223060629 /nfs/dbraw/zinc/06/06/29/223060629.db2.gz UEJJLVBCALWGDY-CQSZACIVSA-N 1 1 350.430 2.421 40 0 FEABMO Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257339370 223072195 /nfs/dbraw/zinc/07/21/95/223072195.db2.gz ZBKGLSMMMUQDTC-KRWDZBQOSA-N 1 1 356.474 2.093 40 0 FEABMO Cc1cnc(CNC(=O)Cc2cn3c(n2)[C@@H](C)[N@@H+](C2CCCC2)CC3)cn1 ZINC000306126443 223107372 /nfs/dbraw/zinc/10/73/72/223107372.db2.gz DWBUMXCUVGBFRX-OAHLLOKOSA-N 1 1 368.485 2.160 40 0 FEABMO Cc1cnc(CNC(=O)Cc2cn3c(n2)[C@@H](C)[N@H+](C2CCCC2)CC3)cn1 ZINC000306126443 223107375 /nfs/dbraw/zinc/10/73/75/223107375.db2.gz DWBUMXCUVGBFRX-OAHLLOKOSA-N 1 1 368.485 2.160 40 0 FEABMO Cc1ccccc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)NC(C)C)n3C[C@@H]2C1 ZINC000306139177 223112661 /nfs/dbraw/zinc/11/26/61/223112661.db2.gz SRJZGILOTGNQFC-IRXDYDNUSA-N 1 1 353.470 2.029 40 0 FEABMO CC(=O)N1CCC[C@@H]1c1nnc2n1CC[N@@H+](CCCc1ccccc1)C2 ZINC000072380180 541802740 /nfs/dbraw/zinc/80/27/40/541802740.db2.gz CWCFWQDEANFKQT-GOSISDBHSA-N 1 1 353.470 2.410 40 0 FEABMO CC(=O)N1CCC[C@@H]1c1nnc2n1CC[N@H+](CCCc1ccccc1)C2 ZINC000072380180 541802741 /nfs/dbraw/zinc/80/27/41/541802741.db2.gz CWCFWQDEANFKQT-GOSISDBHSA-N 1 1 353.470 2.410 40 0 FEABMO COC(=O)c1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2C(=O)N3)o1 ZINC000013566354 220074887 /nfs/dbraw/zinc/07/48/87/220074887.db2.gz CHUAWSCGOSTSIP-UHFFFAOYSA-N 1 1 355.394 2.214 40 0 FEABMO CC[NH+]1CCN(C(=O)c2nnc3c(-c4ccccc4)c(C)nn3c2C)CC1 ZINC000014607670 220127028 /nfs/dbraw/zinc/12/70/28/220127028.db2.gz YNHQBYMNDZFQCJ-UHFFFAOYSA-N 1 1 364.453 2.186 40 0 FEABMO COc1ccc([C@H]2[C@H]([NH2+]Cc3c(O)nc(C)[nH]c3=O)[C@@H]3CCC[C@@H]32)cc1 ZINC000019240591 220243467 /nfs/dbraw/zinc/24/34/67/220243467.db2.gz UURDELLDFCUTPC-BURFUSLBSA-N 1 1 355.438 2.464 40 0 FEABMO CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000019523557 220266597 /nfs/dbraw/zinc/26/65/97/220266597.db2.gz TUFAOBRNTMHCCU-OAHLLOKOSA-N 1 1 372.444 2.205 40 0 FEABMO Cc1c(C[N@H+]2CCC[C@@H](c3cc(C(=O)N4CCCC4)on3)C2)cnn1C ZINC000019553653 220271691 /nfs/dbraw/zinc/27/16/91/220271691.db2.gz ZZWTVDRCQFGATG-OAHLLOKOSA-N 1 1 357.458 2.332 40 0 FEABMO Cc1cc(C[N@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cs1 ZINC000019572086 220275279 /nfs/dbraw/zinc/27/52/79/220275279.db2.gz PPFAJRGCNRSSRD-UHFFFAOYSA-N 1 1 353.451 2.198 40 0 FEABMO C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)COc3ccccc3)ncc2C1 ZINC000019590517 220277170 /nfs/dbraw/zinc/27/71/70/220277170.db2.gz AFFXMRILAVUPDC-GOSISDBHSA-N 1 1 352.438 2.207 40 0 FEABMO C[NH+]1CCN([C@@H](c2cccs2)c2nnnn2Cc2ccc(F)cc2)CC1 ZINC000019589951 220278013 /nfs/dbraw/zinc/27/80/13/220278013.db2.gz QOQWFTIWOKVPPI-KRWDZBQOSA-N 1 1 372.473 2.259 40 0 FEABMO COc1ccccc1CC(=O)N1CCc2nc([C@H]3CC[N@@H+](C)C3)ncc2C1 ZINC000019587985 220278809 /nfs/dbraw/zinc/27/88/09/220278809.db2.gz MOAMJBIIPQMXJI-INIZCTEOSA-N 1 1 366.465 2.032 40 0 FEABMO COc1cccc(OC[C@H]2CCC[N@H+](CC(=O)Nc3cnn(C)c3)C2)c1 ZINC000019658870 220283796 /nfs/dbraw/zinc/28/37/96/220283796.db2.gz HIGMRHBTXGRHTB-HNNXBMFYSA-N 1 1 358.442 2.158 40 0 FEABMO COc1cccc(OC[C@H]2CCC[N@@H+](CC(=O)Nc3cnn(C)c3)C2)c1 ZINC000019658870 220283800 /nfs/dbraw/zinc/28/38/00/220283800.db2.gz HIGMRHBTXGRHTB-HNNXBMFYSA-N 1 1 358.442 2.158 40 0 FEABMO C[N@H+]1CCc2nc([C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ncc2C1 ZINC000019590492 220279455 /nfs/dbraw/zinc/27/94/55/220279455.db2.gz FBDTYZIPLSQJLM-OAHLLOKOSA-N 1 1 372.494 2.033 40 0 FEABMO O=C(C[N@H+]1CCC[C@@H](Cn2ccnc2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000019715460 220287303 /nfs/dbraw/zinc/28/73/03/220287303.db2.gz UKPXDGPKXOTFFE-MRXNPFEDSA-N 1 1 370.453 2.395 40 0 FEABMO Cc1nonc1NC(=O)C[N@@H+]1CCC[C@H](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000019715439 220287994 /nfs/dbraw/zinc/28/79/94/220287994.db2.gz OMTBZVDVFDKUIJ-GFCCVEGCSA-N 1 1 372.404 2.287 40 0 FEABMO Cc1nonc1NC(=O)C[N@H+]1CCC[C@H](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000019715439 220287999 /nfs/dbraw/zinc/28/79/99/220287999.db2.gz OMTBZVDVFDKUIJ-GFCCVEGCSA-N 1 1 372.404 2.287 40 0 FEABMO CNc1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)nc2c1CC[N@H+](C)C2 ZINC000257235968 533087342 /nfs/dbraw/zinc/08/73/42/533087342.db2.gz HAHKLHVMOHEZAG-OAHLLOKOSA-N 1 1 351.454 2.136 40 0 FEABMO CNc1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)nc2c1CC[N@@H+](C)C2 ZINC000257235968 533087345 /nfs/dbraw/zinc/08/73/45/533087345.db2.gz HAHKLHVMOHEZAG-OAHLLOKOSA-N 1 1 351.454 2.136 40 0 FEABMO COCCN1C[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000085436249 542727534 /nfs/dbraw/zinc/72/75/34/542727534.db2.gz PLXLPAZRSRIMEH-OAHLLOKOSA-N 1 1 357.376 2.274 40 0 biogenic,in-vitro FEABMO COCCN1C[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000085436249 542727538 /nfs/dbraw/zinc/72/75/38/542727538.db2.gz PLXLPAZRSRIMEH-OAHLLOKOSA-N 1 1 357.376 2.274 40 0 biogenic,in-vitro FEABMO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)s1 ZINC000096230487 132223131 /nfs/dbraw/zinc/22/31/31/132223131.db2.gz QPEGPQPKAORAHH-LJQANCHMSA-N 1 1 356.495 2.375 40 0 FEABMO O=C(Nc1cnccn1)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccccc3F)C[C@H]2O1 ZINC000096042824 542988080 /nfs/dbraw/zinc/98/80/80/542988080.db2.gz FNSFEHUFTRGUIB-IAOVAPTHSA-N 1 1 356.401 2.234 40 0 FEABMO O=C(Nc1cnccn1)[C@H]1C[C@@H]2CC[N@H+](Cc3ccccc3F)C[C@H]2O1 ZINC000096042824 542988083 /nfs/dbraw/zinc/98/80/83/542988083.db2.gz FNSFEHUFTRGUIB-IAOVAPTHSA-N 1 1 356.401 2.234 40 0 FEABMO O=C(NCc1cn2ccccc2n1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000127970932 544024784 /nfs/dbraw/zinc/02/47/84/544024784.db2.gz OGQJLVLTOAQTRO-YJBOKZPZSA-N 1 1 353.470 2.493 40 0 FEABMO O=C(NCC[C@@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21)c1ccccc1 ZINC000247491412 549344140 /nfs/dbraw/zinc/34/41/40/549344140.db2.gz MSIULTNUBGMLTQ-GOSISDBHSA-N 1 1 354.454 2.239 40 0 FEABMO O=C(NCC[C@@H]1C[N@H+](C2CCOCC2)Cc2ccnn21)c1ccccc1 ZINC000247491412 549344143 /nfs/dbraw/zinc/34/41/43/549344143.db2.gz MSIULTNUBGMLTQ-GOSISDBHSA-N 1 1 354.454 2.239 40 0 FEABMO CO[C@H]1CCN(C(=O)c2ccccc2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096109465 222028197 /nfs/dbraw/zinc/02/81/97/222028197.db2.gz ZFDGZQSOKNIIEA-ZCNNSNEGSA-N 1 1 351.450 2.443 40 0 FEABMO COCC[N@H+]1Cc2ccccc2C2(CCN(C(=O)c3ccnnc3)CC2)C1 ZINC000096079532 222014851 /nfs/dbraw/zinc/01/48/51/222014851.db2.gz WCHBQJRCVROUKM-UHFFFAOYSA-N 1 1 366.465 2.113 40 0 FEABMO C[N@@H+](Cc1cccnc1)[C@H]1CCC[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]21 ZINC000096182913 222068778 /nfs/dbraw/zinc/06/87/78/222068778.db2.gz YFTHWVXJYNSMLV-AOIWGVFYSA-N 1 1 351.454 2.244 40 0 FEABMO O=C(Cc1cccc(F)c1)N1C[C@@H]2C[N@@H+](Cc3ccoc3)CCO[C@@H]2C1 ZINC000096208230 222077510 /nfs/dbraw/zinc/07/75/10/222077510.db2.gz DNHOHUKSMYSADZ-PKOBYXMFSA-N 1 1 358.413 2.321 40 0 FEABMO O=C(CO[C@@H]1CO[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1)N1CCCC1 ZINC000096208530 222078550 /nfs/dbraw/zinc/07/85/50/222078550.db2.gz FDDYCVFBORDOSY-WMZOPIPTSA-N 1 1 350.484 2.121 40 0 FEABMO COCC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1cc(C)c(C)s1)CC[C@H]2OC ZINC000096217669 222081760 /nfs/dbraw/zinc/08/17/60/222081760.db2.gz FLYHHPKSVCRMEJ-ARFHVFGLSA-N 1 1 352.500 2.173 40 0 FEABMO CCN1C[C@@]2(CC1=O)CN(C(=O)C(C)C)CC[N@@H+](Cc1cccs1)C2 ZINC000097952786 222217656 /nfs/dbraw/zinc/21/76/56/222217656.db2.gz DBACVCVOUMMMTP-IBGZPJMESA-N 1 1 363.527 2.287 40 0 FEABMO CCOc1cc(C[NH2+]CCN(CC)CC)cc(Cl)c1OCC(N)=O ZINC000022075695 263384913 /nfs/dbraw/zinc/38/49/13/263384913.db2.gz MVQNXWJYQVERBC-UHFFFAOYSA-N 1 1 357.882 2.034 40 0 FEABMO Cc1ccsc1C[N@H+]1C[C@H]2OC[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC000306128974 534471873 /nfs/dbraw/zinc/47/18/73/534471873.db2.gz HPYAOHYABSRKFD-GVDBMIGSSA-N 1 1 357.479 2.328 40 0 FEABMO CC(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1ccc3c(c1)OCCO3)CCO2 ZINC000306130068 526895073 /nfs/dbraw/zinc/89/50/73/526895073.db2.gz IVTBRCKLRZXBBQ-PMACEKPBSA-N 1 1 360.454 2.108 40 0 FEABMO CC(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1ccc3c(c1)OCCO3)CCO2 ZINC000306130068 526895081 /nfs/dbraw/zinc/89/50/81/526895081.db2.gz IVTBRCKLRZXBBQ-PMACEKPBSA-N 1 1 360.454 2.108 40 0 FEABMO CC[N@@H+](Cc1ccncc1)C[C@]1(O)CCN(C(=O)c2cccc(C)c2)C1 ZINC000257283638 528861657 /nfs/dbraw/zinc/86/16/57/528861657.db2.gz OZDDPMUVJFXFIF-OAQYLSRUSA-N 1 1 353.466 2.489 40 0 FEABMO CCN1C(=O)CC[C@@H](C(=O)N2CCC[N@@H+](C)CC2)[C@@H]1c1ccc(OC)cc1 ZINC000257344426 528946737 /nfs/dbraw/zinc/94/67/37/528946737.db2.gz ZXDVVRCJPKAXPE-QUCCMNQESA-N 1 1 373.497 2.159 40 0 FEABMO CCOC[C@@]1([NH3+])[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218101327 548684886 /nfs/dbraw/zinc/68/48/86/548684886.db2.gz RBAFYCGFHZOGBJ-CEXWTWQISA-N 1 1 361.463 2.369 40 0 FEABMO Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)C2(CN)C[NH3+])cc1 ZINC000218390545 548686774 /nfs/dbraw/zinc/68/67/74/548686774.db2.gz IEWOSWZVKGMLJN-IRXDYDNUSA-N 1 1 364.898 2.492 40 0 FEABMO NCC1(C[NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218389007 548686835 /nfs/dbraw/zinc/68/68/35/548686835.db2.gz QIZZQDQJMCKMSM-CVEARBPZSA-N 1 1 350.871 2.184 40 0 FEABMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)C1 ZINC000250662829 549643297 /nfs/dbraw/zinc/64/32/97/549643297.db2.gz GGORKDMWGUOYJH-WBVHZDCISA-N 1 1 358.438 2.210 40 0 FEABMO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)C1 ZINC000250662829 549643302 /nfs/dbraw/zinc/64/33/02/549643302.db2.gz GGORKDMWGUOYJH-WBVHZDCISA-N 1 1 358.438 2.210 40 0 FEABMO COc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@H]3C[N@H+]2Cc2ccccc2)cc1 ZINC000409430684 558691140 /nfs/dbraw/zinc/69/11/40/558691140.db2.gz MWHUUMNAGNNBKH-IPMKNSEASA-N 1 1 350.418 2.483 40 0 FEABMO Cc1ccoc1C(=O)N1CC2(C1)C[C@@H](COCc1cccnc1)C[N@@H+]2C ZINC000585093943 571220194 /nfs/dbraw/zinc/22/01/94/571220194.db2.gz RIUCLSMLEJDRBK-QGZVFWFLSA-N 1 1 355.438 2.346 40 0 FEABMO Cc1cc(C[N@H+]2CCn3c(COCC4CCC4)nnc3C[C@@H]2C)n(C)n1 ZINC000585098235 571220854 /nfs/dbraw/zinc/22/08/54/571220854.db2.gz SKZFDQBAXGURKE-HNNXBMFYSA-N 1 1 358.490 2.084 40 0 FEABMO Cc1cc(C[N@@H+]2CCn3c(COCC4CCC4)nnc3C[C@@H]2C)n(C)n1 ZINC000585098235 571220855 /nfs/dbraw/zinc/22/08/55/571220855.db2.gz SKZFDQBAXGURKE-HNNXBMFYSA-N 1 1 358.490 2.084 40 0 FEABMO COc1ccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(C(C)C)C3)C2)c(F)c1 ZINC000585104983 571224165 /nfs/dbraw/zinc/22/41/65/571224165.db2.gz XJMIXCYWAFOPFM-IBGZPJMESA-N 1 1 350.434 2.294 40 0 FEABMO COc1ccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(C(C)C)C3)C2)c(F)c1 ZINC000585104983 571224167 /nfs/dbraw/zinc/22/41/67/571224167.db2.gz XJMIXCYWAFOPFM-IBGZPJMESA-N 1 1 350.434 2.294 40 0 FEABMO CCCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccc(C)c2)CC1 ZINC000585106330 571224810 /nfs/dbraw/zinc/22/48/10/571224810.db2.gz VYANZBQDNWLPAX-MOPGFXCFSA-N 1 1 369.509 2.448 40 0 FEABMO O=C(Cc1cccc(F)c1F)N1CC[C@@H]2C[N@@H+](CC3CC3)CCO[C@@H]2C1 ZINC000585108231 571225314 /nfs/dbraw/zinc/22/53/14/571225314.db2.gz AIVKHGALJPXBBG-SJLPKXTDSA-N 1 1 364.436 2.467 40 0 FEABMO