smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)c(C)c1 ZINC000328984449 203845628 /nfs/dbraw/zinc/84/56/28/203845628.db2.gz HMEMRWWLBQTRGV-UHFFFAOYSA-N 1 2 362.477 3.451 40 0 FGABLO Cc1csc2c(C3CCN(C(=O)c4cnc(C)nc4C)CC3)[nH+]c(C)n12 ZINC000019240568 204674602 /nfs/dbraw/zinc/67/46/02/204674602.db2.gz BXHFIGAYWGEEOF-UHFFFAOYSA-N 1 2 369.494 3.439 40 0 FGABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015674899 206315220 /nfs/dbraw/zinc/31/52/20/206315220.db2.gz IMBGNCFOJMNNBV-AEFFLSMTSA-N 1 2 369.396 3.192 40 0 biogenic,in-vitro FGABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015674899 206315224 /nfs/dbraw/zinc/31/52/24/206315224.db2.gz IMBGNCFOJMNNBV-AEFFLSMTSA-N 1 2 369.396 3.192 40 0 biogenic,in-vitro FGABLO Cc1cc(Nc2cc[nH+]c(NC3CCN(C(=O)OC(C)(C)C)CC3)n2)n[nH]1 ZINC000257257410 206610196 /nfs/dbraw/zinc/61/01/96/206610196.db2.gz KPLYUUBKRQEXNN-UHFFFAOYSA-N 1 2 373.461 3.063 40 0 FGABLO CC1(c2nccs2)CC[NH+](Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000257339667 206628338 /nfs/dbraw/zinc/62/83/38/206628338.db2.gz ZCRRLXXRVFQCQN-UHFFFAOYSA-N 1 2 350.509 3.100 40 0 FGABLO C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(NC(=O)c3cc(-c4ccco4)n[nH]3)sc12 ZINC000072325647 494152127 /nfs/dbraw/zinc/15/21/27/494152127.db2.gz CCZPKQSSQVKQOC-TVQRCGJNSA-N 1 2 355.423 3.070 40 0 FGABLO C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(NC(=O)c3cc(-c4ccco4)n[nH]3)sc12 ZINC000072325647 494152130 /nfs/dbraw/zinc/15/21/30/494152130.db2.gz CCZPKQSSQVKQOC-TVQRCGJNSA-N 1 2 355.423 3.070 40 0 FGABLO Cn1cc[nH+]c1CN1CCC[C@@H]1c1cncc(Oc2ccccc2F)n1 ZINC000072384204 494161828 /nfs/dbraw/zinc/16/18/28/494161828.db2.gz CHNVFPHAUCVKPU-MRXNPFEDSA-N 1 2 353.401 3.479 40 0 FGABLO Cc1ncccc1Oc1cncc([C@@H]2CCCN2Cc2[nH+]ccn2C)n1 ZINC000072384199 494162130 /nfs/dbraw/zinc/16/21/30/494162130.db2.gz LPNPTQAGSNQWKH-INIZCTEOSA-N 1 2 350.426 3.043 40 0 FGABLO Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc4c(c3)OCCO4)CC2)o1 ZINC000012114436 494204944 /nfs/dbraw/zinc/20/49/44/494204944.db2.gz RTYLIOGDSPIQFV-UHFFFAOYSA-N 1 2 354.406 3.087 40 0 FGABLO Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc4c(c3)OCCO4)CC2)o1 ZINC000012114436 494204946 /nfs/dbraw/zinc/20/49/46/494204946.db2.gz RTYLIOGDSPIQFV-UHFFFAOYSA-N 1 2 354.406 3.087 40 0 FGABLO COc1ccccc1[C@@H](NC(=O)c1nccc2ccccc21)c1[nH+]ccn1C ZINC000012114911 494205153 /nfs/dbraw/zinc/20/51/53/494205153.db2.gz ZABHLICNYWNKHO-LJQANCHMSA-N 1 2 372.428 3.496 40 0 FGABLO C[C@@H]1CN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(F)cc3)n2)C[C@H](C)O1 ZINC000012221182 494215137 /nfs/dbraw/zinc/21/51/37/494215137.db2.gz VXTNQXWYISQLJQ-BETUJISGSA-N 1 2 353.401 3.286 40 0 FGABLO Cc1cc(-c2cnc(NCCCn3cc[nH+]c3)nc2-c2ccncc2)on1 ZINC000012221525 494215237 /nfs/dbraw/zinc/21/52/37/494215237.db2.gz KDKZVTPSEMEXNS-UHFFFAOYSA-N 1 2 361.409 3.201 40 0 FGABLO Cc1c(C[N@@H+]2CCO[C@@H](c3ccc(Cc4ccccc4)cn3)C2)cnn1C ZINC000019692894 494455125 /nfs/dbraw/zinc/45/51/25/494455125.db2.gz OZDYDHWPPVDCKC-JOCHJYFZSA-N 1 2 362.477 3.288 40 0 FGABLO Cc1c(C[N@H+]2CCO[C@@H](c3ccc(Cc4ccccc4)cn3)C2)cnn1C ZINC000019692894 494455131 /nfs/dbraw/zinc/45/51/31/494455131.db2.gz OZDYDHWPPVDCKC-JOCHJYFZSA-N 1 2 362.477 3.288 40 0 FGABLO COc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000057363854 494722126 /nfs/dbraw/zinc/72/21/26/494722126.db2.gz GOIOFPQUSHARQT-UHFFFAOYSA-N 1 2 359.857 3.109 40 0 FGABLO Cn1c[nH+]c2c1[C@H](COCC1CCCC1)CN(C(=O)C[C@@H]1C=CCC1)C2 ZINC000096044966 494997993 /nfs/dbraw/zinc/99/79/93/494997993.db2.gz UGSBFCUZROQYFB-AEFFLSMTSA-N 1 2 357.498 3.409 40 0 FGABLO O=C(C1=CCCC1)N1Cc2[nH+]cn(CC3CC3)c2[C@H](COCC2CC2)C1 ZINC000096045164 494998144 /nfs/dbraw/zinc/99/81/44/494998144.db2.gz XFQBJGSKCUBEFE-SFHVURJKSA-N 1 2 355.482 3.256 40 0 FGABLO Cc1ccc(CN2CCn3cc(C[N@@H+](C)Cc4cccnc4)nc3C2)s1 ZINC000096059546 495000183 /nfs/dbraw/zinc/00/01/83/495000183.db2.gz SBOHOXJKABZOKF-UHFFFAOYSA-N 1 2 367.522 3.296 40 0 FGABLO Cc1ccc(CN2CCn3cc(C[N@H+](C)Cc4cccnc4)nc3C2)s1 ZINC000096059546 495000187 /nfs/dbraw/zinc/00/01/87/495000187.db2.gz SBOHOXJKABZOKF-UHFFFAOYSA-N 1 2 367.522 3.296 40 0 FGABLO CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C ZINC000223247293 497034753 /nfs/dbraw/zinc/03/47/53/497034753.db2.gz QUUAAKWSVMQYPK-UHFFFAOYSA-N 1 2 368.477 3.156 40 0 FGABLO O=C(CC1CCCC1)N1CCC[C@@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257201272 497389529 /nfs/dbraw/zinc/38/95/29/497389529.db2.gz AGZBUEODADCETA-HXUWFJFHSA-N 1 2 357.498 3.158 40 0 FGABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+]2Cc2cn(C)cn2)nc(C)n1 ZINC000257213529 497391484 /nfs/dbraw/zinc/39/14/84/497391484.db2.gz CHYMGYRTGQYERL-GOSISDBHSA-N 1 2 363.469 3.303 40 0 FGABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+]2Cc2cn(C)cn2)nc(C)n1 ZINC000257213529 497391488 /nfs/dbraw/zinc/39/14/88/497391488.db2.gz CHYMGYRTGQYERL-GOSISDBHSA-N 1 2 363.469 3.303 40 0 FGABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1Cc1ccnn1C(C)C ZINC000257242473 497394969 /nfs/dbraw/zinc/39/49/69/497394969.db2.gz ICSGEVUAJDHZJZ-SFHVURJKSA-N 1 2 351.454 3.426 40 0 FGABLO COc1cccc(Cc2cnc([C@@H]3CCN(c4cc(C)[nH+]cn4)C3)o2)c1 ZINC000257260463 497396545 /nfs/dbraw/zinc/39/65/45/497396545.db2.gz LCYNECPRZZXUHK-MRXNPFEDSA-N 1 2 350.422 3.366 40 0 FGABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000257267847 497396657 /nfs/dbraw/zinc/39/66/57/497396657.db2.gz MIZYZDLBHKUSCW-AWEZNQCLSA-N 1 2 369.498 3.163 40 0 FGABLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000257267847 497396662 /nfs/dbraw/zinc/39/66/62/497396662.db2.gz MIZYZDLBHKUSCW-AWEZNQCLSA-N 1 2 369.498 3.163 40 0 FGABLO COc1ccc(-c2cccc([C@H]3C[N@H+](Cc4cnn(C)c4)CCO3)n2)cc1 ZINC000257258894 497396813 /nfs/dbraw/zinc/39/68/13/497396813.db2.gz KVYLCBIIHFNGIL-OAQYLSRUSA-N 1 2 364.449 3.064 40 0 FGABLO COc1ccc(-c2cccc([C@H]3C[N@@H+](Cc4cnn(C)c4)CCO3)n2)cc1 ZINC000257258894 497396818 /nfs/dbraw/zinc/39/68/18/497396818.db2.gz KVYLCBIIHFNGIL-OAQYLSRUSA-N 1 2 364.449 3.064 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000306135904 498740982 /nfs/dbraw/zinc/74/09/82/498740982.db2.gz PEFXIXSAPZSULI-APWZRJJASA-N 1 2 355.415 3.295 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000306135904 498740989 /nfs/dbraw/zinc/74/09/89/498740989.db2.gz PEFXIXSAPZSULI-APWZRJJASA-N 1 2 355.415 3.295 40 0 FGABLO c1csc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329061343 499030567 /nfs/dbraw/zinc/03/05/67/499030567.db2.gz WRVMPKSERVCWTF-UHFFFAOYSA-N 1 2 351.479 3.411 40 0 FGABLO Cc1ccc(Cl)cc1Nc1cc(-c2ccccc2)[nH+]c(NCCCO)n1 ZINC000329070927 499033832 /nfs/dbraw/zinc/03/38/32/499033832.db2.gz ZLIPTIAAMGRLKU-UHFFFAOYSA-N 1 2 368.868 3.487 40 0 FGABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1oc2ccccc2c1C ZINC000585094830 507566722 /nfs/dbraw/zinc/56/67/22/507566722.db2.gz OOLUEJQDRVYVFR-CQSZACIVSA-N 1 2 353.422 3.078 40 0 FGABLO Fc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000038561209 205041367 /nfs/dbraw/zinc/04/13/67/205041367.db2.gz RIJHLYDZVJROFA-UHFFFAOYSA-N 1 2 359.470 3.145 40 0 FGABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530070 206292160 /nfs/dbraw/zinc/29/21/60/206292160.db2.gz GQGWLXNSOFEYGQ-IRXDYDNUSA-N 1 2 366.396 3.051 40 0 biogenic,in-vitro FGABLO C[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530070 206292162 /nfs/dbraw/zinc/29/21/62/206292162.db2.gz GQGWLXNSOFEYGQ-IRXDYDNUSA-N 1 2 366.396 3.051 40 0 biogenic,in-vitro FGABLO COc1cc(C[N@H+](Cc2ccncc2)Cc2cccnc2)cc2c1OCO2 ZINC000013989683 206308138 /nfs/dbraw/zinc/30/81/38/206308138.db2.gz KZYCLEVULXFJQC-UHFFFAOYSA-N 1 2 363.417 3.416 40 0 FGABLO COc1cc(C[N@@H+](Cc2ccncc2)Cc2cccnc2)cc2c1OCO2 ZINC000013989683 206308146 /nfs/dbraw/zinc/30/81/46/206308146.db2.gz KZYCLEVULXFJQC-UHFFFAOYSA-N 1 2 363.417 3.416 40 0 FGABLO CCOc1ccc(NC(=O)Cn2c[nH+]c3cc4c(cc32)OCCCO4)cc1 ZINC000014000671 206308190 /nfs/dbraw/zinc/30/81/90/206308190.db2.gz GBJRHTQGACQAGM-UHFFFAOYSA-N 1 2 367.405 3.235 40 0 FGABLO Cc1ccc(OC[C@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000219246087 206381121 /nfs/dbraw/zinc/38/11/21/206381121.db2.gz IIFFAOHMCWHVQG-SFHVURJKSA-N 1 2 368.477 3.025 40 0 FGABLO CCc1ccc(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000022267149 220380975 /nfs/dbraw/zinc/38/09/75/220380975.db2.gz BSLCFDAFVUGSRS-UHFFFAOYSA-N 1 2 354.450 3.099 40 0 FGABLO CCOC(=O)c1ccc(NC(=O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000000892033 493778298 /nfs/dbraw/zinc/77/82/98/493778298.db2.gz LDUSQOLOWBFELC-UHFFFAOYSA-N 1 2 351.406 3.469 40 0 FGABLO O=C(N1CC[NH+](CCO)CC1)N1c2ccccc2Sc2ccccc21 ZINC000031853025 493964168 /nfs/dbraw/zinc/96/41/68/493964168.db2.gz LTVDJVRLUFIEPZ-UHFFFAOYSA-N 1 2 355.463 3.019 40 0 FGABLO Cc1cccc2cc(C[NH2+]c3ccc(N4CCC[C@@H](O)C4)cc3)c(=O)[nH]c12 ZINC000012088296 494202724 /nfs/dbraw/zinc/20/27/24/494202724.db2.gz PQLSZEPYFQNSOZ-HXUWFJFHSA-N 1 2 363.461 3.410 40 0 FGABLO COc1ccccc1C[N@@H+]1CC[C@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000012255203 494217978 /nfs/dbraw/zinc/21/79/78/494217978.db2.gz QIXNJHOMFCUUHM-HNNXBMFYSA-N 1 2 352.438 3.050 40 0 FGABLO COc1ccccc1C[N@H+]1CC[C@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000012255203 494217979 /nfs/dbraw/zinc/21/79/79/494217979.db2.gz QIXNJHOMFCUUHM-HNNXBMFYSA-N 1 2 352.438 3.050 40 0 FGABLO COc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4[nH]3)C2)cc1 ZINC000096112167 495002006 /nfs/dbraw/zinc/00/20/06/495002006.db2.gz KOVVNLGWYFWXGC-APWZRJJASA-N 1 2 355.413 3.311 40 0 biogenic,in-vitro FGABLO COc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4[nH]3)C2)cc1 ZINC000096112167 495002009 /nfs/dbraw/zinc/00/20/09/495002009.db2.gz KOVVNLGWYFWXGC-APWZRJJASA-N 1 2 355.413 3.311 40 0 biogenic,in-vitro FGABLO c1ccc(O[C@@H]2CCOC3(C[NH+](Cc4ccc5ccccc5n4)C3)C2)nc1 ZINC000248339570 496981174 /nfs/dbraw/zinc/98/11/74/496981174.db2.gz TVVYIXJJRXMFPR-LJQANCHMSA-N 1 2 361.445 3.442 40 0 FGABLO COc1ccc(CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1OC ZINC000225434671 497062790 /nfs/dbraw/zinc/06/27/90/497062790.db2.gz GEVTZZWGHGWLMU-UHFFFAOYSA-N 1 2 365.433 3.221 40 0 FGABLO Cc1cc(NC2CC3(C2)CCN(C(=O)CCc2cccs2)C3)nc[nH+]1 ZINC000257199741 497389185 /nfs/dbraw/zinc/38/91/85/497389185.db2.gz AAQZSFCADDFMSG-UHFFFAOYSA-N 1 2 356.495 3.272 40 0 FGABLO CCn1cc[nH+]c1[C@@H](Nc1ccc(OC2CCCC2)cc1)[C@H](O)[C@H](C)O ZINC000257301124 497400395 /nfs/dbraw/zinc/40/03/95/497400395.db2.gz RXCJNUCYNMILJT-ZOCIIQOWSA-N 1 2 359.470 3.119 40 0 FGABLO CN(C)c1cc([C@H]2CCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)cc[nH+]1 ZINC000257300498 497401442 /nfs/dbraw/zinc/40/14/42/497401442.db2.gz RUNVENYAGRXRPP-HNNXBMFYSA-N 1 2 355.486 3.188 40 0 FGABLO COCCNc1nsc2nc([C@H]3CCCN3c3cc[nH+]c(C)n3)ccc12 ZINC000257321802 497403273 /nfs/dbraw/zinc/40/32/73/497403273.db2.gz WDHQTDGOYSBSKG-OAHLLOKOSA-N 1 2 370.482 3.190 40 0 FGABLO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3nccn3C)C2)s1 ZINC000257334088 497404218 /nfs/dbraw/zinc/40/42/18/497404218.db2.gz YELPBLNFQVZVEM-CQSZACIVSA-N 1 2 369.498 3.098 40 0 FGABLO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3nccn3C)C2)s1 ZINC000257334088 497404223 /nfs/dbraw/zinc/40/42/23/497404223.db2.gz YELPBLNFQVZVEM-CQSZACIVSA-N 1 2 369.498 3.098 40 0 FGABLO Cc1noc(C)c1-c1cccc([C@@H]2C[N@H+](Cc3ccncc3)CCO2)n1 ZINC000257344083 497404959 /nfs/dbraw/zinc/40/49/59/497404959.db2.gz ZVSIUSIBWTXYAE-IBGZPJMESA-N 1 2 350.422 3.322 40 0 FGABLO Cc1noc(C)c1-c1cccc([C@@H]2C[N@@H+](Cc3ccncc3)CCO2)n1 ZINC000257344083 497404968 /nfs/dbraw/zinc/40/49/68/497404968.db2.gz ZVSIUSIBWTXYAE-IBGZPJMESA-N 1 2 350.422 3.322 40 0 FGABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2C ZINC000261365776 497406958 /nfs/dbraw/zinc/40/69/58/497406958.db2.gz VETKHTUWLZTBEX-LBPRGKRZSA-O 1 2 359.475 3.304 40 0 FGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@@H]2C ZINC000261364233 497407242 /nfs/dbraw/zinc/40/72/42/497407242.db2.gz KCNPNYGXRXOWJF-LBPRGKRZSA-O 1 2 365.438 3.038 40 0 FGABLO O=C(c1ccncc1)N1CC[C@@]2(Cc3[nH+]cc(-c4ccsc4)n3C2)C1 ZINC000306132320 498738739 /nfs/dbraw/zinc/73/87/39/498738739.db2.gz LFCDJMKOJWIVHO-LJQANCHMSA-N 1 2 350.447 3.095 40 0 FGABLO FC(F)(F)Oc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1 ZINC000329070930 499033572 /nfs/dbraw/zinc/03/35/72/499033572.db2.gz ZLMQHMCFKGWCEM-UHFFFAOYSA-N 1 2 350.344 3.414 40 0 FGABLO Cc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)[NH+]=C3N=CNN32)s1 ZINC000408628292 499593358 /nfs/dbraw/zinc/59/33/58/499593358.db2.gz WBIQBINCDQBGRE-INIZCTEOSA-N 1 2 351.435 3.228 40 0 FGABLO Cc1cccc(CO[C@H]2CCOC3(C[NH+](Cc4cccc(F)c4)C3)C2)n1 ZINC000585105394 507572495 /nfs/dbraw/zinc/57/24/95/507572495.db2.gz VZHLRIHMWCEFNK-FQEVSTJZSA-N 1 2 356.441 3.479 40 0 FGABLO Cc1ccccc1C[N@H+]1Cc2ccnn2[C@H](CCNC(=O)c2ccco2)C1 ZINC000585111849 507576630 /nfs/dbraw/zinc/57/66/30/507576630.db2.gz CVKQFWGCTAZKOC-GOSISDBHSA-N 1 2 364.449 3.162 40 0 FGABLO Cc1ccccc1C[N@@H+]1Cc2ccnn2[C@H](CCNC(=O)c2ccco2)C1 ZINC000585111849 507576637 /nfs/dbraw/zinc/57/66/37/507576637.db2.gz CVKQFWGCTAZKOC-GOSISDBHSA-N 1 2 364.449 3.162 40 0 FGABLO C[N@@H+]1CCO[C@@H](c2cccc(-c3cnc4ccc(C(F)(F)F)cn43)n2)C1 ZINC000585263062 507581720 /nfs/dbraw/zinc/58/17/20/507581720.db2.gz ZGPZGYZNAKMKTG-MRXNPFEDSA-N 1 2 362.355 3.418 40 0 FGABLO C[N@H+]1CCO[C@@H](c2cccc(-c3cnc4ccc(C(F)(F)F)cn43)n2)C1 ZINC000585263062 507581728 /nfs/dbraw/zinc/58/17/28/507581728.db2.gz ZGPZGYZNAKMKTG-MRXNPFEDSA-N 1 2 362.355 3.418 40 0 FGABLO Cc1nc2cc(NC(=O)N3CCN(c4cccc[nH+]4)CC3)ccc2s1 ZINC000408975701 570706165 /nfs/dbraw/zinc/70/61/65/570706165.db2.gz CIEHMWPDYZOVBL-UHFFFAOYSA-N 1 2 353.451 3.354 40 0 FGABLO Clc1cccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CC3)n2)c1 ZINC000328977361 203844815 /nfs/dbraw/zinc/84/48/15/203844815.db2.gz FTMWVLIQGQCPHS-UHFFFAOYSA-N 1 2 351.841 3.222 40 0 FGABLO CCOC(=O)c1n[nH]cc1-c1c[nH+]cn1CCOc1ccc(Cl)cc1 ZINC000019719723 204704193 /nfs/dbraw/zinc/70/41/93/204704193.db2.gz DYVKARBOQMXAQE-UHFFFAOYSA-N 1 2 360.801 3.182 40 0 FGABLO COc1cc2cc(CNc3ccc([NH+](C)C)cc3)c(=O)[nH]c2cc1OC ZINC000013561313 206304528 /nfs/dbraw/zinc/30/45/28/206304528.db2.gz KHXFZSBQUFYBBN-UHFFFAOYSA-N 1 2 353.422 3.223 40 0 FGABLO Cc1cc(N2CCC(C(=O)NCC3CC3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000001350686 136151695 /nfs/dbraw/zinc/15/16/95/136151695.db2.gz BWLWDLNRZJLDOO-UHFFFAOYSA-N 1 2 350.466 3.195 40 0 FGABLO COc1cc2c(cc1O)C[C@H]1c3c(c(OC)c(OC)c(OC)c3-2)CC[N@H+]1C ZINC000005741376 493941941 /nfs/dbraw/zinc/94/19/41/493941941.db2.gz QCMQEZNBBPGFKQ-AWEZNQCLSA-N 1 2 371.433 3.179 40 0 FGABLO COc1cc2c(cc1O)C[C@H]1c3c(c(OC)c(OC)c(OC)c3-2)CC[N@@H+]1C ZINC000005741376 493941942 /nfs/dbraw/zinc/94/19/42/493941942.db2.gz QCMQEZNBBPGFKQ-AWEZNQCLSA-N 1 2 371.433 3.179 40 0 FGABLO C[NH+]1CCN(c2nc3c(c(Nc4ccc(Cl)cc4)n2)C(=O)CCC3)CC1 ZINC000009937617 494137309 /nfs/dbraw/zinc/13/73/09/494137309.db2.gz ODOSEVYEMHJDOQ-UHFFFAOYSA-N 1 2 371.872 3.144 40 0 FGABLO CCOc1ccc(C[N@@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)cc1 ZINC000072347208 494156061 /nfs/dbraw/zinc/15/60/61/494156061.db2.gz BRZJWQGQTFYDHZ-UHFFFAOYSA-N 1 2 368.481 3.130 40 0 FGABLO CCOc1ccc(C[N@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)cc1 ZINC000072347208 494156069 /nfs/dbraw/zinc/15/60/69/494156069.db2.gz BRZJWQGQTFYDHZ-UHFFFAOYSA-N 1 2 368.481 3.130 40 0 FGABLO O=C(CCc1ccccc1)N1CCC[C@@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350582 494156336 /nfs/dbraw/zinc/15/63/36/494156336.db2.gz ZUZPHXQFHYFKQE-GOSISDBHSA-N 1 2 361.449 3.001 40 0 FGABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2cnccn2)n1 ZINC000072379178 494160881 /nfs/dbraw/zinc/16/08/81/494160881.db2.gz ASZIRHZGWCRRRZ-QGZVFWFLSA-N 1 2 362.437 3.158 40 0 FGABLO Cc1nc2cc([C@@H]3CC[N@H+](Cc4cccc(F)c4F)C3)[nH]n2c(=O)c1C ZINC000012255333 494217923 /nfs/dbraw/zinc/21/79/23/494217923.db2.gz SCKZRYZATDYQJR-CYBMUJFWSA-N 1 2 358.392 3.319 40 0 FGABLO Cc1nc2cc([C@@H]3CC[N@@H+](Cc4cccc(F)c4F)C3)[nH]n2c(=O)c1C ZINC000012255333 494217927 /nfs/dbraw/zinc/21/79/27/494217927.db2.gz SCKZRYZATDYQJR-CYBMUJFWSA-N 1 2 358.392 3.319 40 0 FGABLO O=C(C[C@H]1[NH2+]CCc2c3ccccc3[nH]c2C1=O)Nc1ccc(F)cc1 ZINC000014162606 494306703 /nfs/dbraw/zinc/30/67/03/494306703.db2.gz OZBVQLKAPFLHAW-QGZVFWFLSA-N 1 2 351.381 3.033 40 0 FGABLO Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000019117739 494436006 /nfs/dbraw/zinc/43/60/06/494436006.db2.gz YAVJFEYUBWZFJJ-HNNXBMFYSA-N 1 2 367.478 3.116 40 0 FGABLO O[C@@H](C[NH+]1CCN(c2nccs2)CC1)c1ccc(Cl)cc1Cl ZINC000019293017 494440678 /nfs/dbraw/zinc/44/06/78/494440678.db2.gz RCGOPBJSALJWEL-AWEZNQCLSA-N 1 2 358.294 3.306 40 0 FGABLO Fc1ccc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)c(F)c1 ZINC000019338582 494442484 /nfs/dbraw/zinc/44/24/84/494442484.db2.gz WSKYYTRCVJEHRM-UHFFFAOYSA-N 1 2 361.436 3.084 40 0 FGABLO Fc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)c(F)c1 ZINC000019338582 494442488 /nfs/dbraw/zinc/44/24/88/494442488.db2.gz WSKYYTRCVJEHRM-UHFFFAOYSA-N 1 2 361.436 3.084 40 0 FGABLO C[C@]12C[N@H+](Cc3ccccc3Cl)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000019576481 494451537 /nfs/dbraw/zinc/45/15/37/494451537.db2.gz GXCDRZZIEAPTBO-XLIONFOSSA-N 1 2 354.837 3.157 40 0 FGABLO C[C@]12C[N@@H+](Cc3ccccc3Cl)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000019576481 494451538 /nfs/dbraw/zinc/45/15/38/494451538.db2.gz GXCDRZZIEAPTBO-XLIONFOSSA-N 1 2 354.837 3.157 40 0 FGABLO Cc1c([C@H](C)NC(=O)c2cccc(Nc3cc(C)[nH+]c(C)n3)c2)cnn1C ZINC000019662101 494454080 /nfs/dbraw/zinc/45/40/80/494454080.db2.gz PFKVRVFYGBLNGW-ZDUSSCGKSA-N 1 2 364.453 3.370 40 0 FGABLO CCn1c(C)[nH+]c2cc(NC(=O)CCNc3nc(C)cc(C)n3)ccc21 ZINC000019715056 494457468 /nfs/dbraw/zinc/45/74/68/494457468.db2.gz CSYTYDBDPBJRCL-UHFFFAOYSA-N 1 2 352.442 3.212 40 0 FGABLO Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCCCn1cc[nH+]c1 ZINC000022246084 494518314 /nfs/dbraw/zinc/51/83/14/494518314.db2.gz SDQOKYARQLHRQS-UHFFFAOYSA-N 1 2 359.430 3.351 40 0 FGABLO O=C(C1=CCCC1)N1Cc2[nH+]cn(CC3CC3)c2[C@@H](COCC2CC2)C1 ZINC000096045165 494998750 /nfs/dbraw/zinc/99/87/50/494998750.db2.gz XFQBJGSKCUBEFE-GOSISDBHSA-N 1 2 355.482 3.256 40 0 FGABLO Cn1nnc2c1[C@@H](COCc1ccccc1)C[N@H+](Cc1cccs1)C2 ZINC000096060798 494999830 /nfs/dbraw/zinc/99/98/30/494999830.db2.gz FFUKYMLQMOAYKG-MRXNPFEDSA-N 1 2 354.479 3.193 40 0 FGABLO Cn1nnc2c1[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccs1)C2 ZINC000096060798 494999833 /nfs/dbraw/zinc/99/98/33/494999833.db2.gz FFUKYMLQMOAYKG-MRXNPFEDSA-N 1 2 354.479 3.193 40 0 FGABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](CCOc1ccccn1)CCO2 ZINC000247997382 496941685 /nfs/dbraw/zinc/94/16/85/496941685.db2.gz ANNRGHUYOUFJLZ-INIZCTEOSA-N 1 2 359.495 3.297 40 0 FGABLO c1ccc2nc(C[NH+]3CC4(C3)OCC[C@H]4COc3cccnc3)ccc2c1 ZINC000248338868 496980697 /nfs/dbraw/zinc/98/06/97/496980697.db2.gz SAVGBZWHKTYHFW-SFHVURJKSA-N 1 2 361.445 3.300 40 0 FGABLO Cc1nc(N2CC[C@@H](c3c4cccnc4sc3C(=O)N(C)C)C2)cc[nH+]1 ZINC000257207530 497390132 /nfs/dbraw/zinc/39/01/32/497390132.db2.gz BIEQTKNICDGPCU-CYBMUJFWSA-N 1 2 367.478 3.090 40 0 FGABLO Cc1csc(Nc2cc([C@H]3CCC[N@H+](Cc4cnc[nH]4)C3)nc(C)n2)n1 ZINC000257215226 497392334 /nfs/dbraw/zinc/39/23/34/497392334.db2.gz CPFAMRJSMYXFPJ-AWEZNQCLSA-N 1 2 369.498 3.396 40 0 FGABLO Cc1csc(Nc2cc([C@H]3CCC[N@@H+](Cc4cnc[nH]4)C3)nc(C)n2)n1 ZINC000257215226 497392338 /nfs/dbraw/zinc/39/23/38/497392338.db2.gz CPFAMRJSMYXFPJ-AWEZNQCLSA-N 1 2 369.498 3.396 40 0 FGABLO Cc1[nH+]cc(-c2nccnc2C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1C ZINC000257319457 497402373 /nfs/dbraw/zinc/40/23/73/497402373.db2.gz VSQKRGDVDFCYNB-HNNXBMFYSA-N 1 2 355.486 3.013 40 0 FGABLO Cc1cc(CC[C@@H]2CCC[N@@H+]2Cc2ccccc2OCC(=O)[O-])cc[nH+]1 ZINC000257344066 497405417 /nfs/dbraw/zinc/40/54/17/497405417.db2.gz ZVQHIQIYZKVAEY-IBGZPJMESA-N 1 2 354.450 3.451 40 0 FGABLO Cc1cc(CC[C@@H]2CCC[N@H+]2Cc2ccccc2OCC(=O)[O-])cc[nH+]1 ZINC000257344066 497405425 /nfs/dbraw/zinc/40/54/25/497405425.db2.gz ZVQHIQIYZKVAEY-IBGZPJMESA-N 1 2 354.450 3.451 40 0 FGABLO Cc1cccc(Nc2cc([C@H]3CCC[N@H+](Cc4cnc[nH]4)C3)nc(C)n2)n1 ZINC000257343789 497405470 /nfs/dbraw/zinc/40/54/70/497405470.db2.gz ZUKSYJJAQHOMGL-INIZCTEOSA-N 1 2 363.469 3.335 40 0 FGABLO Cc1cccc(Nc2cc([C@H]3CCC[N@@H+](Cc4cnc[nH]4)C3)nc(C)n2)n1 ZINC000257343789 497405475 /nfs/dbraw/zinc/40/54/75/497405475.db2.gz ZUKSYJJAQHOMGL-INIZCTEOSA-N 1 2 363.469 3.335 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000306136758 498740729 /nfs/dbraw/zinc/74/07/29/498740729.db2.gz QCPMOKFQRUVQRI-UYAOXDASSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000306136758 498740738 /nfs/dbraw/zinc/74/07/38/498740738.db2.gz QCPMOKFQRUVQRI-UYAOXDASSA-N 1 2 366.442 3.097 40 0 FGABLO C[C@H](CO)Nc1nc(Nc2ccccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329021699 499017633 /nfs/dbraw/zinc/01/76/33/499017633.db2.gz OHJRHQDORULGLY-CYBMUJFWSA-N 1 2 354.841 3.177 40 0 FGABLO c1cc2n(n1)[C@H](COc1ccccn1)C[N@H+](Cc1cccc3[nH]ccc31)C2 ZINC000585111992 507575845 /nfs/dbraw/zinc/57/58/45/507575845.db2.gz JXUKEZDMFJFXKT-SFHVURJKSA-N 1 2 359.433 3.395 40 0 FGABLO c1cc2n(n1)[C@H](COc1ccccn1)C[N@@H+](Cc1cccc3[nH]ccc31)C2 ZINC000585111992 507575853 /nfs/dbraw/zinc/57/58/53/507575853.db2.gz JXUKEZDMFJFXKT-SFHVURJKSA-N 1 2 359.433 3.395 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCNC(=O)CC3CC3)C2)s1 ZINC000585112853 507576860 /nfs/dbraw/zinc/57/68/60/507576860.db2.gz XGMPXEFZDFYASF-INIZCTEOSA-N 1 2 358.511 3.116 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCNC(=O)CC3CC3)C2)s1 ZINC000585112853 507576864 /nfs/dbraw/zinc/57/68/64/507576864.db2.gz XGMPXEFZDFYASF-INIZCTEOSA-N 1 2 358.511 3.116 40 0 FGABLO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020458270 523052437 /nfs/dbraw/zinc/05/24/37/523052437.db2.gz IFLKQLNDTXYWFM-HXUWFJFHSA-N 1 2 365.433 3.355 40 0 FGABLO CSc1ccccc1N1C(=O)C[C@@H](Nc2ccc([NH+](C)C)cc2)C1=O ZINC000005016684 204185392 /nfs/dbraw/zinc/18/53/92/204185392.db2.gz IYZSFJQZHULLHN-OAHLLOKOSA-N 1 2 355.463 3.219 40 0 FGABLO O=C(CCc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000037127510 205023090 /nfs/dbraw/zinc/02/30/90/205023090.db2.gz FWHNFABOTNNQDD-UHFFFAOYSA-N 1 2 372.896 3.421 40 0 FGABLO Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000044852963 205113925 /nfs/dbraw/zinc/11/39/25/205113925.db2.gz RGVAGCSKZCWIAQ-SFHVURJKSA-N 1 2 368.477 3.025 40 0 FGABLO CCn1ncc(C[NH+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1C ZINC000022288989 206336505 /nfs/dbraw/zinc/33/65/05/206336505.db2.gz PNJPSZSCEWEFNF-UHFFFAOYSA-N 1 2 370.541 3.072 40 0 FGABLO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)[nH+]cn1)C2 ZINC000328956382 132371733 /nfs/dbraw/zinc/37/17/33/132371733.db2.gz AFTJXVQYYQCGAG-UHFFFAOYSA-N 1 2 352.438 3.180 40 0 FGABLO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc[nH+]1)C2 ZINC000328956382 132371734 /nfs/dbraw/zinc/37/17/34/132371734.db2.gz AFTJXVQYYQCGAG-UHFFFAOYSA-N 1 2 352.438 3.180 40 0 FGABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)CCc2ccccc2)cc[nH+]1 ZINC000072357488 494157592 /nfs/dbraw/zinc/15/75/92/494157592.db2.gz GNBPMVHFMGXBQM-SFHVURJKSA-N 1 2 361.449 3.350 40 0 FGABLO Cc1nc(C)c(C(=O)N2Cc3ccccc3OC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000012128311 494207137 /nfs/dbraw/zinc/20/71/37/494207137.db2.gz XXZGVVOQMNXYAI-INIZCTEOSA-N 1 2 368.462 3.060 40 0 FGABLO COc1ccccc1C[N@@H+]1CCc2nc3cc(C(C)(C)C)[nH]n3c(=O)c2C1 ZINC000012142908 494208053 /nfs/dbraw/zinc/20/80/53/494208053.db2.gz YGBQDCUSMLSSRL-UHFFFAOYSA-N 1 2 366.465 3.299 40 0 FGABLO COc1ccccc1C[N@H+]1CCc2nc3cc(C(C)(C)C)[nH]n3c(=O)c2C1 ZINC000012142908 494208057 /nfs/dbraw/zinc/20/80/57/494208057.db2.gz YGBQDCUSMLSSRL-UHFFFAOYSA-N 1 2 366.465 3.299 40 0 FGABLO Cc1cccnc1C[NH+]1CCN(C(=O)CCCOc2cccc(F)c2)CC1 ZINC000019237805 494439458 /nfs/dbraw/zinc/43/94/58/494439458.db2.gz UDCUFUKXGZKNRE-UHFFFAOYSA-N 1 2 371.456 3.033 40 0 FGABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000019334429 494442587 /nfs/dbraw/zinc/44/25/87/494442587.db2.gz IDMMUEBXNGYBFP-UHFFFAOYSA-N 1 2 352.825 3.044 40 0 FGABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000019334429 494442589 /nfs/dbraw/zinc/44/25/89/494442589.db2.gz IDMMUEBXNGYBFP-UHFFFAOYSA-N 1 2 352.825 3.044 40 0 FGABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](CC1=Cc3ccccc3OC1)C2 ZINC000019375140 494443589 /nfs/dbraw/zinc/44/35/89/494443589.db2.gz DICVGTNHZQHUTH-UHFFFAOYSA-N 1 2 372.428 3.078 40 0 FGABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](CC1=Cc3ccccc3OC1)C2 ZINC000019375140 494443592 /nfs/dbraw/zinc/44/35/92/494443592.db2.gz DICVGTNHZQHUTH-UHFFFAOYSA-N 1 2 372.428 3.078 40 0 FGABLO Cc1cc(CN2Cc3[nH+]cn(CC4CC4)c3[C@H](COCC3CC3)C2)no1 ZINC000096045158 494998192 /nfs/dbraw/zinc/99/81/92/494998192.db2.gz LPJZVGBAOCIJCS-KRWDZBQOSA-N 1 2 356.470 3.116 40 0 FGABLO Cc1cccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)n1 ZINC000096112211 495001960 /nfs/dbraw/zinc/00/19/60/495001960.db2.gz SDLCJZXFYUYDFU-APWZRJJASA-N 1 2 354.429 3.016 40 0 biogenic,in-vitro FGABLO Cc1cccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)n1 ZINC000096112211 495001963 /nfs/dbraw/zinc/00/19/63/495001963.db2.gz SDLCJZXFYUYDFU-APWZRJJASA-N 1 2 354.429 3.016 40 0 biogenic,in-vitro FGABLO O=C(c1cccc(F)c1)N1CC[C@]2(C1)C[C@H](Nc1cccc[nH+]1)CCO2 ZINC000096219231 495007553 /nfs/dbraw/zinc/00/75/53/495007553.db2.gz FGGHBTQJAOLVMA-YLJYHZDGSA-N 1 2 355.413 3.097 40 0 FGABLO Cc1ccc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CCO3)s1 ZINC000248056572 496948901 /nfs/dbraw/zinc/94/89/01/496948901.db2.gz CFNDYVGRRPSQNE-QGZVFWFLSA-N 1 2 351.512 3.233 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCNC(=O)c3ccco3)C2)s1 ZINC000248061793 496950188 /nfs/dbraw/zinc/95/01/88/496950188.db2.gz DEFXRJRVCNZXAR-HNNXBMFYSA-N 1 2 370.478 3.223 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCNC(=O)c3ccco3)C2)s1 ZINC000248061793 496950192 /nfs/dbraw/zinc/95/01/92/496950192.db2.gz DEFXRJRVCNZXAR-HNNXBMFYSA-N 1 2 370.478 3.223 40 0 FGABLO COc1ccc(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C ZINC000223548394 497038651 /nfs/dbraw/zinc/03/86/51/497038651.db2.gz ORFUEIYYAFBVHU-RMKNXTFCSA-N 1 2 364.489 3.404 40 0 FGABLO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257325688 497404361 /nfs/dbraw/zinc/40/43/61/497404361.db2.gz WUAHIHUUXYTYJX-UNMCSNQZSA-N 1 2 368.477 3.092 40 0 FGABLO CCc1ccccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257325688 497404366 /nfs/dbraw/zinc/40/43/66/497404366.db2.gz WUAHIHUUXYTYJX-UNMCSNQZSA-N 1 2 368.477 3.092 40 0 FGABLO C[C@@H]1CCCCN1Cc1nnc(C[N@@H+]2CCCC[C@H]2C)n1-n1cccc1 ZINC000260574432 497406162 /nfs/dbraw/zinc/40/61/62/497406162.db2.gz YYMKLJRNCLOCAZ-QZTJIDSGSA-N 1 2 356.518 3.140 40 0 FGABLO C[C@@H]1CCCCN1Cc1nnc(C[N@H+]2CCCC[C@H]2C)n1-n1cccc1 ZINC000260574432 497406167 /nfs/dbraw/zinc/40/61/67/497406167.db2.gz YYMKLJRNCLOCAZ-QZTJIDSGSA-N 1 2 356.518 3.140 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCOCc3cccnc3)C2)o1 ZINC000306123287 498736888 /nfs/dbraw/zinc/73/68/88/498736888.db2.gz AJDWTSZPXHRFKY-LJQANCHMSA-N 1 2 352.438 3.343 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCOCc3cccnc3)C2)o1 ZINC000306123287 498736895 /nfs/dbraw/zinc/73/68/95/498736895.db2.gz AJDWTSZPXHRFKY-LJQANCHMSA-N 1 2 352.438 3.343 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000306135905 498740288 /nfs/dbraw/zinc/74/02/88/498740288.db2.gz PEFXIXSAPZSULI-LPHOPBHVSA-N 1 2 355.415 3.295 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000306135905 498740296 /nfs/dbraw/zinc/74/02/96/498740296.db2.gz PEFXIXSAPZSULI-LPHOPBHVSA-N 1 2 355.415 3.295 40 0 FGABLO c1cc2n(n1)[C@H](COc1cccnc1)C[N@H+](Cc1cccc3[nH]ccc31)C2 ZINC000306141571 498742003 /nfs/dbraw/zinc/74/20/03/498742003.db2.gz WASPGJBJQQJAQM-SFHVURJKSA-N 1 2 359.433 3.395 40 0 FGABLO c1cc2n(n1)[C@H](COc1cccnc1)C[N@@H+](Cc1cccc3[nH]ccc31)C2 ZINC000306141571 498742007 /nfs/dbraw/zinc/74/20/07/498742007.db2.gz WASPGJBJQQJAQM-SFHVURJKSA-N 1 2 359.433 3.395 40 0 FGABLO Cc1nc(C(=O)N2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)cs1 ZINC000306141518 498743568 /nfs/dbraw/zinc/74/35/68/498743568.db2.gz VYXXRZZSVLUOND-HOTGVXAUSA-N 1 2 364.474 3.260 40 0 FGABLO Fc1ccccc1CNc1cc(-c2cccnc2)[nH+]c(NC2CCCC2)n1 ZINC000328961044 498999714 /nfs/dbraw/zinc/99/97/14/498999714.db2.gz BAKZEKLZNAQZKB-UHFFFAOYSA-N 1 2 363.440 3.488 40 0 FGABLO C[C@@H](CO)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328982922 499006840 /nfs/dbraw/zinc/00/68/40/499006840.db2.gz HDVGPMMQOFKNOF-VIFPVBQESA-N 1 2 353.253 3.041 40 0 FGABLO Cc1ccc(Cl)cc1Nc1cc(-c2ccccc2)[nH+]c(NCCO)n1 ZINC000328996691 499009872 /nfs/dbraw/zinc/00/98/72/499009872.db2.gz JLSZNPRCKCAUHP-UHFFFAOYSA-N 1 2 354.841 3.097 40 0 FGABLO CSc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)c1 ZINC000328995165 499010291 /nfs/dbraw/zinc/01/02/91/499010291.db2.gz JGYRLRMPDKONQZ-UHFFFAOYSA-N 1 2 366.490 3.247 40 0 FGABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1F ZINC000329017917 499015545 /nfs/dbraw/zinc/01/55/45/499015545.db2.gz NNTJZBSUGZEETP-INIZCTEOSA-N 1 2 360.433 3.096 40 0 FGABLO CC[C@H](C)Nc1nc(NCc2ccccc2F)cc(-c2ccncc2)[nH+]1 ZINC000329017260 499015914 /nfs/dbraw/zinc/01/59/14/499015914.db2.gz NKDVPUYXJZEUSI-AWEZNQCLSA-N 1 2 351.429 3.344 40 0 FGABLO CCOc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCO)n2)cc1 ZINC000329038663 499022610 /nfs/dbraw/zinc/02/26/10/499022610.db2.gz RUAWKKMXHWFQNX-UHFFFAOYSA-N 1 2 350.422 3.112 40 0 FGABLO Fc1cc(F)cc(CNc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c1 ZINC000329072409 499032996 /nfs/dbraw/zinc/03/29/96/499032996.db2.gz ZXRDAWXADVFTCM-UHFFFAOYSA-N 1 2 352.388 3.452 40 0 FGABLO CC(C)COCCc1c[nH+]c2n1CCN(Cc1ccc(CO)cc1)[C@@H]2C ZINC000585097557 507566417 /nfs/dbraw/zinc/56/64/17/507566417.db2.gz LQYIQKHRZQYYRO-QGZVFWFLSA-N 1 2 357.498 3.167 40 0 FGABLO O=C(NCC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21)c1ccccc1 ZINC000585112410 507576390 /nfs/dbraw/zinc/57/63/90/507576390.db2.gz PHNVJYTYMCPERK-GOSISDBHSA-N 1 2 366.490 3.322 40 0 FGABLO O=C(NCC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21)c1ccccc1 ZINC000585112410 507576397 /nfs/dbraw/zinc/57/63/97/507576397.db2.gz PHNVJYTYMCPERK-GOSISDBHSA-N 1 2 366.490 3.322 40 0 FGABLO Cc1cccc(C[N@H+]2Cc3ccnn3[C@@H](CCNC(=O)c3ccco3)C2)c1 ZINC000585111982 507576916 /nfs/dbraw/zinc/57/69/16/507576916.db2.gz GLEAJSGEDCZRNV-SFHVURJKSA-N 1 2 364.449 3.162 40 0 FGABLO Cc1cccc(C[N@@H+]2Cc3ccnn3[C@@H](CCNC(=O)c3ccco3)C2)c1 ZINC000585111982 507576923 /nfs/dbraw/zinc/57/69/23/507576923.db2.gz GLEAJSGEDCZRNV-SFHVURJKSA-N 1 2 364.449 3.162 40 0 FGABLO CCOc1ccc([C@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000020461722 521256415 /nfs/dbraw/zinc/25/64/15/521256415.db2.gz USYXDIBWWHBTQU-KRWDZBQOSA-N 1 2 368.477 3.409 40 0 FGABLO NNC1=[NH+]c2ccc(Br)cc2C(c2ccccc2Cl)=NC1 ZINC000010152031 204392171 /nfs/dbraw/zinc/39/21/71/204392171.db2.gz CYJQYRBLZAKDLJ-UHFFFAOYSA-N 1 2 363.646 3.447 40 0 FGABLO Fc1ccccc1NC(=S)NCc1ccccc1C[NH+]1CCOCC1 ZINC000038561218 205041631 /nfs/dbraw/zinc/04/16/31/205041631.db2.gz DXFKIWHVFDCMPZ-UHFFFAOYSA-N 1 2 359.470 3.145 40 0 FGABLO CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CC[N@H+](C)C2 ZINC000004223369 206172010 /nfs/dbraw/zinc/17/20/10/206172010.db2.gz FJTOSSFERMYVFU-UHFFFAOYSA-N 1 2 374.462 3.174 40 0 FGABLO CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CC[N@@H+](C)C2 ZINC000004223369 206172015 /nfs/dbraw/zinc/17/20/15/206172015.db2.gz FJTOSSFERMYVFU-UHFFFAOYSA-N 1 2 374.462 3.174 40 0 FGABLO CNC(=O)c1sc2ncccc2c1C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000257337141 132297551 /nfs/dbraw/zinc/29/75/51/132297551.db2.gz YROGVZPLKGHPOC-UHFFFAOYSA-N 1 2 367.478 3.138 40 0 FGABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669903 136129830 /nfs/dbraw/zinc/12/98/30/136129830.db2.gz ZFSZTRIFMTWXNR-GOSISDBHSA-N 1 2 374.508 3.477 40 0 FGABLO CC[C@@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000057669814 136129846 /nfs/dbraw/zinc/12/98/46/136129846.db2.gz SRBJPSFBIZFEAK-SFHVURJKSA-N 1 2 372.517 3.100 40 0 FGABLO COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000076340032 493870040 /nfs/dbraw/zinc/87/00/40/493870040.db2.gz GUSRXOZRZXEMMP-OAHLLOKOSA-N 1 2 365.433 3.440 40 0 FGABLO CCN(C)c1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072212725 494144440 /nfs/dbraw/zinc/14/44/40/494144440.db2.gz KGRRFLZUSXZXDN-SFHVURJKSA-N 1 2 359.495 3.372 40 0 FGABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc[nH+]c2NC2CC2)cc1 ZINC000072213727 494144511 /nfs/dbraw/zinc/14/45/11/494144511.db2.gz OFSTWALHPCZHNP-GOSISDBHSA-N 1 2 357.479 3.490 40 0 FGABLO O=C(CCc1ccccc1)N1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350581 494156302 /nfs/dbraw/zinc/15/63/02/494156302.db2.gz ZUZPHXQFHYFKQE-SFHVURJKSA-N 1 2 361.449 3.001 40 0 FGABLO Fc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377412 494159176 /nfs/dbraw/zinc/15/91/76/494159176.db2.gz BABYTQMGBZXKMG-KRWDZBQOSA-N 1 2 350.401 3.486 40 0 FGABLO Fc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377412 494159178 /nfs/dbraw/zinc/15/91/78/494159178.db2.gz BABYTQMGBZXKMG-KRWDZBQOSA-N 1 2 350.401 3.486 40 0 FGABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072378391 494160916 /nfs/dbraw/zinc/16/09/16/494160916.db2.gz DJVFKODQQJNYNG-KRWDZBQOSA-N 1 2 365.412 3.341 40 0 FGABLO COc1cccc(Oc2cncc([C@@H]3CCC[N@H+](Cc4ncc[nH]4)C3)n2)c1 ZINC000072384342 494162466 /nfs/dbraw/zinc/16/24/66/494162466.db2.gz FAYPRJGIKWMHNE-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2cncc([C@@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)n2)c1 ZINC000072384342 494162469 /nfs/dbraw/zinc/16/24/69/494162469.db2.gz FAYPRJGIKWMHNE-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO Cc1cc(-c2cnc(NCCCn3cc[nH+]c3)nc2-c2ccco2)on1 ZINC000012087616 494202518 /nfs/dbraw/zinc/20/25/18/494202518.db2.gz REFXJYIDLRMNOH-UHFFFAOYSA-N 1 2 350.382 3.399 40 0 FGABLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000012115024 494204674 /nfs/dbraw/zinc/20/46/74/494204674.db2.gz XJZYMOBYBMNLRR-GOSISDBHSA-N 1 2 359.351 3.286 40 0 FGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCc2cccc(F)c2)C1 ZINC000012116447 494206232 /nfs/dbraw/zinc/20/62/32/494206232.db2.gz FXLSEHWVJNNXMO-INIZCTEOSA-N 1 2 366.440 3.245 40 0 FGABLO O=C(CC[NH+]1CCOCC1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000019349655 494443632 /nfs/dbraw/zinc/44/36/32/494443632.db2.gz PMXLUAUSXOULHJ-UHFFFAOYSA-N 1 2 365.886 3.048 40 0 FGABLO CC(C)c1cc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[N@@H+]3C)n[nH]1 ZINC000019451925 494444543 /nfs/dbraw/zinc/44/45/43/494444543.db2.gz ZSJNBUAKUJXMNU-NSISKUIASA-N 1 2 370.472 3.375 40 0 FGABLO CC(C)c1cc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[N@H+]3C)n[nH]1 ZINC000019451925 494444547 /nfs/dbraw/zinc/44/45/47/494444547.db2.gz ZSJNBUAKUJXMNU-NSISKUIASA-N 1 2 370.472 3.375 40 0 FGABLO CC[C@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1)n1nc(C)cc1C ZINC000019499469 494445702 /nfs/dbraw/zinc/44/57/02/494445702.db2.gz NCUDUPHAEAIDTR-MSOLQXFVSA-N 1 2 369.444 3.229 40 0 FGABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCC(=O)C(C)(C)C)C1 ZINC000019524390 494447441 /nfs/dbraw/zinc/44/74/41/494447441.db2.gz XVNRVUZCLJLIKK-OAHLLOKOSA-N 1 2 370.497 3.004 40 0 FGABLO FC(F)(F)c1ccccc1N1CC[NH+](Cc2cnn3cccnc23)CC1 ZINC000019715802 494457636 /nfs/dbraw/zinc/45/76/36/494457636.db2.gz BCWURXJRYMYBCF-UHFFFAOYSA-N 1 2 361.371 3.070 40 0 FGABLO Cc1noc(CCC(=O)Nc2ccc3[nH]c(Cc4ccccc4)[nH+]c3c2)n1 ZINC000019719235 494458720 /nfs/dbraw/zinc/45/87/20/494458720.db2.gz IJGCGDVAFRVGJU-UHFFFAOYSA-N 1 2 361.405 3.416 40 0 FGABLO CC(C)n1cnc2c1[C@@H](C(=O)NCCc1cccc(F)c1)[N@@H+](C(C)C)CC2 ZINC000096147209 495004315 /nfs/dbraw/zinc/00/43/15/495004315.db2.gz WHULITBVFVJAIX-FQEVSTJZSA-N 1 2 372.488 3.270 40 0 FGABLO CC(C)n1cnc2c1[C@@H](C(=O)NCCc1cccc(F)c1)[N@H+](C(C)C)CC2 ZINC000096147209 495004317 /nfs/dbraw/zinc/00/43/17/495004317.db2.gz WHULITBVFVJAIX-FQEVSTJZSA-N 1 2 372.488 3.270 40 0 FGABLO O=C(CC1=CCCCC1)N1Cc2c[nH+]cn2[C@H](COc2ccccn2)C1 ZINC000247866787 496921762 /nfs/dbraw/zinc/92/17/62/496921762.db2.gz OXGAGEPBTJJRND-SFHVURJKSA-N 1 2 352.438 3.131 40 0 FGABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCCCN2Cc2[nH+]ccn2C)n1 ZINC000257199951 497389607 /nfs/dbraw/zinc/38/96/07/497389607.db2.gz ABKMABSBPHAUNI-KRWDZBQOSA-N 1 2 363.469 3.384 40 0 FGABLO COc1ccc(-c2cccc([C@H]3CN(Cc4[nH]cc[nH+]4)CCO3)n2)cc1 ZINC000257213207 497390772 /nfs/dbraw/zinc/39/07/72/497390772.db2.gz CGORFUFJCNCAKQ-LJQANCHMSA-N 1 2 350.422 3.054 40 0 FGABLO Cc1[nH+]cc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccccc3)C2)n1C ZINC000257236442 497392999 /nfs/dbraw/zinc/39/29/99/497392999.db2.gz HCEXCPOJNPOARX-QGZVFWFLSA-N 1 2 361.449 3.205 40 0 FGABLO Cc1[nH]ncc1C[NH+]1CCC(c2nccnc2Nc2ncccc2C)CC1 ZINC000257242677 497394556 /nfs/dbraw/zinc/39/45/56/497394556.db2.gz IDRDMCDYOBEOQB-UHFFFAOYSA-N 1 2 363.469 3.335 40 0 FGABLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(C(=O)Nc3cnccn3)n2)cn1 ZINC000257241503 497394600 /nfs/dbraw/zinc/39/46/00/497394600.db2.gz HYGKFWNGSIJHGY-IBGZPJMESA-N 1 2 374.448 3.164 40 0 FGABLO Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(C(=O)Nc3cnccn3)n2)cn1 ZINC000257241503 497394605 /nfs/dbraw/zinc/39/46/05/497394605.db2.gz HYGKFWNGSIJHGY-IBGZPJMESA-N 1 2 374.448 3.164 40 0 FGABLO CNc1cccc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257278009 497398574 /nfs/dbraw/zinc/39/85/74/497398574.db2.gz OAJHKLRINCMZLA-HNNXBMFYSA-N 1 2 355.467 3.148 40 0 FGABLO CNc1cccc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257278009 497398578 /nfs/dbraw/zinc/39/85/78/497398578.db2.gz OAJHKLRINCMZLA-HNNXBMFYSA-N 1 2 355.467 3.148 40 0 FGABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 ZINC000257275236 497398599 /nfs/dbraw/zinc/39/85/99/497398599.db2.gz NOMGRKPOQCJBFI-OAQYLSRUSA-N 1 2 366.440 3.119 40 0 FGABLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 ZINC000257275236 497398604 /nfs/dbraw/zinc/39/86/04/497398604.db2.gz NOMGRKPOQCJBFI-OAQYLSRUSA-N 1 2 366.440 3.119 40 0 FGABLO Cc1cncc(COCC[C@H]2CCOC3(C[NH+](Cc4cccnc4)C3)C2)c1 ZINC000306126191 498737250 /nfs/dbraw/zinc/73/72/50/498737250.db2.gz DPERSWANLCIMNB-IBGZPJMESA-N 1 2 367.493 3.373 40 0 FGABLO CC[C@H](C)Nc1nc(NCc2cccc(OC)c2)cc(-c2ccncc2)[nH+]1 ZINC000328964922 499000192 /nfs/dbraw/zinc/00/01/92/499000192.db2.gz BYKJNPALSUVXHO-HNNXBMFYSA-N 1 2 363.465 3.214 40 0 FGABLO C[C@@H](CO)Nc1nc(Nc2c(Cl)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000328966281 499001800 /nfs/dbraw/zinc/00/18/00/499001800.db2.gz CKWOHKYOJZCQBQ-VIFPVBQESA-N 1 2 353.253 3.041 40 0 FGABLO CC(C)Nc1nc(NCc2cccc(Cl)c2)cc(-c2cccnc2)[nH+]1 ZINC000328989178 499007925 /nfs/dbraw/zinc/00/79/25/499007925.db2.gz IJSYZGWFTMQSKQ-UHFFFAOYSA-N 1 2 353.857 3.468 40 0 FGABLO CC[C@H](C)Nc1nc(NCc2ccccc2F)cc(-c2cccnc2)[nH+]1 ZINC000329061794 499030282 /nfs/dbraw/zinc/03/02/82/499030282.db2.gz WUDKNMCLEQGDDY-AWEZNQCLSA-N 1 2 351.429 3.344 40 0 FGABLO COc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2cccc(C)n2)CCO3)cc1 ZINC000585105484 507572198 /nfs/dbraw/zinc/57/21/98/507572198.db2.gz XQLVYFFBZIUMDF-OAQYLSRUSA-N 1 2 368.477 3.349 40 0 FGABLO CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020495573 522875247 /nfs/dbraw/zinc/87/52/47/522875247.db2.gz ZFDYQXHWKQROSG-IBGZPJMESA-N 1 2 353.397 3.485 40 0 FGABLO COc1ccc([C@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000020042638 525314838 /nfs/dbraw/zinc/31/48/38/525314838.db2.gz IYJJSGLPXGADLA-INIZCTEOSA-N 1 2 354.450 3.018 40 0 FGABLO c1ccc(-c2cc(NCCN3CCOCC3)nc(NC3CCCC3)[nH+]2)cc1 ZINC000244014107 206120432 /nfs/dbraw/zinc/12/04/32/206120432.db2.gz SMNXSRGKQRKYNF-UHFFFAOYSA-N 1 2 367.497 3.242 40 0 FGABLO Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000219246003 206380935 /nfs/dbraw/zinc/38/09/35/206380935.db2.gz IIFFAOHMCWHVQG-GOSISDBHSA-N 1 2 368.477 3.025 40 0 FGABLO COc1cccc(OC)c1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023379359 263387186 /nfs/dbraw/zinc/38/71/86/263387186.db2.gz YHVJYNRKOXZIKF-JXMROGBWSA-N 1 2 366.461 3.175 40 0 FGABLO CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H](O)c3ccccc3)c[nH+]2)CC1 ZINC000072225570 494145182 /nfs/dbraw/zinc/14/51/82/494145182.db2.gz YIHKJOGZPGETPA-IBGZPJMESA-N 1 2 369.465 3.220 40 0 FGABLO CC(=O)N1CCn2c(nnc2[C@@H]2CCCC[N@@H+]2Cc2ccccc2Cl)C1 ZINC000072374020 494159932 /nfs/dbraw/zinc/15/99/32/494159932.db2.gz QZLRKLOKMKDEGC-KRWDZBQOSA-N 1 2 373.888 3.021 40 0 FGABLO CC(=O)N1CCn2c(nnc2[C@@H]2CCCC[N@H+]2Cc2ccccc2Cl)C1 ZINC000072374020 494159937 /nfs/dbraw/zinc/15/99/37/494159937.db2.gz QZLRKLOKMKDEGC-KRWDZBQOSA-N 1 2 373.888 3.021 40 0 FGABLO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377413 494159987 /nfs/dbraw/zinc/15/99/87/494159987.db2.gz BABYTQMGBZXKMG-QGZVFWFLSA-N 1 2 350.401 3.486 40 0 FGABLO Fc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377413 494159989 /nfs/dbraw/zinc/15/99/89/494159989.db2.gz BABYTQMGBZXKMG-QGZVFWFLSA-N 1 2 350.401 3.486 40 0 FGABLO COc1ccccc1[C@@H](NC(=O)[C@H](OC)c1ccccc1)c1[nH+]ccn1C ZINC000012114909 494204984 /nfs/dbraw/zinc/20/49/84/494204984.db2.gz SZGRFASIVVNAIJ-RTBURBONSA-N 1 2 365.433 3.022 40 0 FGABLO COc1ccc(CN(Cc2ccco2)Cc2[nH]cc[nH+]2)c(OC)c1OC ZINC000012147061 494208911 /nfs/dbraw/zinc/20/89/11/494208911.db2.gz HBXSVLPJWAOOEQ-UHFFFAOYSA-N 1 2 357.410 3.231 40 0 FGABLO CCc1ncc(C[N@@H+](Cc2ccc(OC)cc2OC)C[C@H]2CCCO2)cn1 ZINC000012187235 494211638 /nfs/dbraw/zinc/21/16/38/494211638.db2.gz LHEMMWAJLJUZGA-LJQANCHMSA-N 1 2 371.481 3.237 40 0 FGABLO CCc1ncc(C[N@H+](Cc2ccc(OC)cc2OC)C[C@H]2CCCO2)cn1 ZINC000012187235 494211643 /nfs/dbraw/zinc/21/16/43/494211643.db2.gz LHEMMWAJLJUZGA-LJQANCHMSA-N 1 2 371.481 3.237 40 0 FGABLO O=C(C[NH+]1CCC(n2c(=O)oc3ccccc32)CC1)Nc1ccccc1F ZINC000012184667 494211792 /nfs/dbraw/zinc/21/17/92/494211792.db2.gz LDQBWTJCISOVEV-UHFFFAOYSA-N 1 2 369.396 3.009 40 0 FGABLO COc1cc(C)c(C[N@@H+]2CC[C@@H](c3cc4nc(C)cc(=O)n4[nH]3)C2)cc1C ZINC000012757411 494255321 /nfs/dbraw/zinc/25/53/21/494255321.db2.gz JWLVMQGHELXIHN-MRXNPFEDSA-N 1 2 366.465 3.358 40 0 FGABLO COc1cc(C)c(C[N@H+]2CC[C@@H](c3cc4nc(C)cc(=O)n4[nH]3)C2)cc1C ZINC000012757411 494255323 /nfs/dbraw/zinc/25/53/23/494255323.db2.gz JWLVMQGHELXIHN-MRXNPFEDSA-N 1 2 366.465 3.358 40 0 FGABLO COc1ccc(-c2csc(NC(=O)[C@H](C)n3cc[nH+]c3)n2)cc1OC ZINC000019080695 494435018 /nfs/dbraw/zinc/43/50/18/494435018.db2.gz XOIGCTKVURKUSE-NSHDSACASA-N 1 2 358.423 3.224 40 0 FGABLO Cc1csc2c1nc1n(c2=O)CC[N@@H+](Cc2ccc(F)cc2F)CC1 ZINC000019240319 494439687 /nfs/dbraw/zinc/43/96/87/494439687.db2.gz ZFMKRQMAVZVDTN-UHFFFAOYSA-N 1 2 361.417 3.103 40 0 FGABLO Cc1csc2c1nc1n(c2=O)CC[N@H+](Cc2ccc(F)cc2F)CC1 ZINC000019240319 494439691 /nfs/dbraw/zinc/43/96/91/494439691.db2.gz ZFMKRQMAVZVDTN-UHFFFAOYSA-N 1 2 361.417 3.103 40 0 FGABLO Fc1cccc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)c1F ZINC000019292680 494441099 /nfs/dbraw/zinc/44/10/99/494441099.db2.gz AXFZSMWUVSZMPF-UHFFFAOYSA-N 1 2 361.436 3.084 40 0 FGABLO Fc1cccc(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)c1F ZINC000019292680 494441105 /nfs/dbraw/zinc/44/11/05/494441105.db2.gz AXFZSMWUVSZMPF-UHFFFAOYSA-N 1 2 361.436 3.084 40 0 FGABLO O=S1(=O)N=C([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)Nc2ccccc21 ZINC000019375671 494443807 /nfs/dbraw/zinc/44/38/07/494443807.db2.gz HFFBVFKROAYKEQ-OAHLLOKOSA-N 1 2 373.453 3.251 40 0 FGABLO O=S1(=O)N=C([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)Nc2ccccc21 ZINC000019375671 494443813 /nfs/dbraw/zinc/44/38/13/494443813.db2.gz HFFBVFKROAYKEQ-OAHLLOKOSA-N 1 2 373.453 3.251 40 0 FGABLO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C)c(CC)c(=O)[nH]2)cc1OC ZINC000019521604 494447892 /nfs/dbraw/zinc/44/78/92/494447892.db2.gz IJUXZDGWGKGHDJ-QGZVFWFLSA-N 1 2 371.481 3.385 40 0 FGABLO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2nc(C)c(CC)c(=O)[nH]2)cc1OC ZINC000019521604 494447895 /nfs/dbraw/zinc/44/78/95/494447895.db2.gz IJUXZDGWGKGHDJ-QGZVFWFLSA-N 1 2 371.481 3.385 40 0 FGABLO Cc1noc(C)c1C(=O)N1CC[N@@H+](Cc2ccccc2F)C[C@@H]1C(C)C ZINC000019580093 494451110 /nfs/dbraw/zinc/45/11/10/494451110.db2.gz PCKDGCNAERUVRJ-GOSISDBHSA-N 1 2 359.445 3.413 40 0 FGABLO Cc1noc(C)c1C(=O)N1CC[N@H+](Cc2ccccc2F)C[C@@H]1C(C)C ZINC000019580093 494451114 /nfs/dbraw/zinc/45/11/14/494451114.db2.gz PCKDGCNAERUVRJ-GOSISDBHSA-N 1 2 359.445 3.413 40 0 FGABLO C[NH+]1CCN(CC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)CC1 ZINC000023473264 494568082 /nfs/dbraw/zinc/56/80/82/494568082.db2.gz DMXPEFIAODOVFJ-MGAZVUHYSA-N 1 2 352.522 3.341 40 0 FGABLO CN1CC[NH+](CC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)CC1 ZINC000023473264 494568086 /nfs/dbraw/zinc/56/80/86/494568086.db2.gz DMXPEFIAODOVFJ-MGAZVUHYSA-N 1 2 352.522 3.341 40 0 FGABLO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3nccs3)CC2)Oc2ccccc21 ZINC000096053251 494999395 /nfs/dbraw/zinc/99/93/95/494999395.db2.gz DCGKVQRGZSGXHZ-OAHLLOKOSA-N 1 2 371.506 3.180 40 0 FGABLO O=C(c1ccsc1)N1CC[C@H]2OCC[C@@]2(CCNc2cccc[nH+]2)C1 ZINC000096207638 495006910 /nfs/dbraw/zinc/00/69/10/495006910.db2.gz RISRBVWLHUPWOR-APWZRJJASA-N 1 2 357.479 3.267 40 0 FGABLO COc1ccc(-c2cccc([C@@H]3C[N@H+](Cc4cnn(C)c4)CCO3)n2)cc1 ZINC000257258893 497396464 /nfs/dbraw/zinc/39/64/64/497396464.db2.gz KVYLCBIIHFNGIL-NRFANRHFSA-N 1 2 364.449 3.064 40 0 FGABLO COc1ccc(-c2cccc([C@@H]3C[N@@H+](Cc4cnn(C)c4)CCO3)n2)cc1 ZINC000257258893 497396468 /nfs/dbraw/zinc/39/64/68/497396468.db2.gz KVYLCBIIHFNGIL-NRFANRHFSA-N 1 2 364.449 3.064 40 0 FGABLO Cc1cccnc1Nc1nccnc1C1CC[NH+](Cc2nccn2C)CC1 ZINC000257299607 497401387 /nfs/dbraw/zinc/40/13/87/497401387.db2.gz RQTSORKZPSMCLP-UHFFFAOYSA-N 1 2 363.469 3.037 40 0 FGABLO CNc1cc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)cc[nH+]1 ZINC000257322763 497403503 /nfs/dbraw/zinc/40/35/03/497403503.db2.gz WHIBFGPMLOUZOH-QGZVFWFLSA-N 1 2 352.438 3.080 40 0 FGABLO Cc1nc(Nc2nccs2)cc([C@@H]2CCCCN2Cc2[nH+]ccn2C)n1 ZINC000257325339 497404294 /nfs/dbraw/zinc/40/42/94/497404294.db2.gz WSOBEHXIQJICGL-HNNXBMFYSA-N 1 2 369.498 3.446 40 0 FGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cccc(O)c1Cl ZINC000261363315 497407022 /nfs/dbraw/zinc/40/70/22/497407022.db2.gz GTMIEWWYKWTVER-HNNXBMFYSA-O 1 2 373.845 3.190 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000306142342 498742633 /nfs/dbraw/zinc/74/26/33/498742633.db2.gz WWHSTHTWZRBVCL-UYAOXDASSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000306142342 498742637 /nfs/dbraw/zinc/74/26/37/498742637.db2.gz WWHSTHTWZRBVCL-UYAOXDASSA-N 1 2 366.442 3.097 40 0 FGABLO COC(=O)c1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1 ZINC000328979214 499005618 /nfs/dbraw/zinc/00/56/18/499005618.db2.gz GEYNMBVMDJKIOB-KRWDZBQOSA-N 1 2 370.453 3.313 40 0 FGABLO CC(C)[C@H](CO)Nc1nc(NCc2ccccn2)cc(-c2ccccc2)[nH+]1 ZINC000328984105 499006751 /nfs/dbraw/zinc/00/67/51/499006751.db2.gz HLCSTRFMTNTOKZ-IBGZPJMESA-N 1 2 363.465 3.001 40 0 FGABLO CC(C)Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC2CC2)n1 ZINC000328987681 499007759 /nfs/dbraw/zinc/00/77/59/499007759.db2.gz IDXXQVWFYGHORC-UHFFFAOYSA-N 1 2 352.360 3.281 40 0 FGABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)c(Cl)c1 ZINC000328987691 499008038 /nfs/dbraw/zinc/00/80/38/499008038.db2.gz IEGDVWLPVQQFMO-AWEZNQCLSA-N 1 2 368.868 3.486 40 0 FGABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)cc1Cl ZINC000329004843 499012374 /nfs/dbraw/zinc/01/23/74/499012374.db2.gz KUYRXIZDKVIXIB-AWEZNQCLSA-N 1 2 368.868 3.486 40 0 FGABLO CCc1cccc(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](C)CO)n1 ZINC000329045430 499023845 /nfs/dbraw/zinc/02/38/45/499023845.db2.gz TUWOALADYHANJC-MRXNPFEDSA-N 1 2 362.477 3.395 40 0 FGABLO COc1cccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccc(C)n2)CCO3)c1 ZINC000585104340 507571043 /nfs/dbraw/zinc/57/10/43/507571043.db2.gz HHVWDTZWYYUMDW-NRFANRHFSA-N 1 2 368.477 3.349 40 0 FGABLO CNc1cc([C@@H]2CCCN(C(=O)c3cc4cccc(F)c4[nH]3)C2)cc[nH+]1 ZINC000585181510 507579348 /nfs/dbraw/zinc/57/93/48/507579348.db2.gz WUHYUPNUQIFQND-OAHLLOKOSA-N 1 2 352.413 3.185 40 0 FGABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccn1)CC2 ZINC000096145009 719344705 /nfs/dbraw/zinc/34/47/05/719344705.db2.gz YQBXRGXYTYFROQ-UHFFFAOYSA-N 1 2 374.492 3.171 40 0 FGABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccn1)CC2 ZINC000096145009 719344710 /nfs/dbraw/zinc/34/47/10/719344710.db2.gz YQBXRGXYTYFROQ-UHFFFAOYSA-N 1 2 374.492 3.171 40 0 FGABLO Cc1ccc(C(F)(F)F)cc1Nc1cc(C2CC2)[nH+]c(NCCCO)n1 ZINC000329066570 203850676 /nfs/dbraw/zinc/85/06/76/203850676.db2.gz YBANBLHCYCLNPM-UHFFFAOYSA-N 1 2 366.387 3.063 40 0 FGABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)NC2CCCC2)cc1 ZINC000001346350 206148973 /nfs/dbraw/zinc/14/89/73/206148973.db2.gz GFVGFEMJPZEQIG-UHFFFAOYSA-N 1 2 367.478 3.275 40 0 FGABLO CC(=O)Nc1nc2nc(C3CCN(c4cc(C)[nH+]cn4)CC3)ccc2s1 ZINC000257337829 132297514 /nfs/dbraw/zinc/29/75/14/132297514.db2.gz YUOQTWKBPVRZMK-UHFFFAOYSA-N 1 2 368.466 3.132 40 0 FGABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669906 136129940 /nfs/dbraw/zinc/12/99/40/136129940.db2.gz ZFSZTRIFMTWXNR-SFHVURJKSA-N 1 2 374.508 3.477 40 0 FGABLO Cc1nnc(Nc2cccc(C3CC[NH+](Cc4ncc[nH]4)CC3)n2)s1 ZINC000072376173 494159478 /nfs/dbraw/zinc/15/94/78/494159478.db2.gz PAIZZBURPUHLLO-UHFFFAOYSA-N 1 2 355.471 3.088 40 0 FGABLO O=C1[C@@H](Cc2ccccc2Br)[NH2+]CCN1C1CCCCC1 ZINC000072390209 494161932 /nfs/dbraw/zinc/16/19/32/494161932.db2.gz WGQDHVDZKJOTKS-MRXNPFEDSA-N 1 2 351.288 3.125 40 0 FGABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2cccs2)CC1 ZINC000012116313 494205628 /nfs/dbraw/zinc/20/56/28/494205628.db2.gz NPRBLHPPXXJMGM-UHFFFAOYSA-N 1 2 354.479 3.168 40 0 FGABLO CCn1ncc(C[N@@H+](Cc2ccc(OC)cc2OC)C[C@@H]2CCCO2)c1C ZINC000012187208 494211736 /nfs/dbraw/zinc/21/17/36/494211736.db2.gz KHOQQTBXFBSVFG-FQEVSTJZSA-N 1 2 373.497 3.410 40 0 FGABLO CCn1ncc(C[N@H+](Cc2ccc(OC)cc2OC)C[C@@H]2CCCO2)c1C ZINC000012187208 494211741 /nfs/dbraw/zinc/21/17/41/494211741.db2.gz KHOQQTBXFBSVFG-FQEVSTJZSA-N 1 2 373.497 3.410 40 0 FGABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)Nc2nnc(C)s2)C1 ZINC000019524415 494447062 /nfs/dbraw/zinc/44/70/62/494447062.db2.gz BRINAVYOFKZJLT-ZDUSSCGKSA-N 1 2 370.482 3.071 40 0 FGABLO COc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@@H](O)c1cc(F)ccc1OC)CC3 ZINC000019563337 494449859 /nfs/dbraw/zinc/44/98/59/494449859.db2.gz GTJXCMGMPDFTGE-HXUWFJFHSA-N 1 2 370.424 3.416 40 0 FGABLO COc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@@H](O)c1cc(F)ccc1OC)CC3 ZINC000019563337 494449862 /nfs/dbraw/zinc/44/98/62/494449862.db2.gz GTJXCMGMPDFTGE-HXUWFJFHSA-N 1 2 370.424 3.416 40 0 FGABLO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccn1Cc1ccccc1F)C2 ZINC000019576629 494451590 /nfs/dbraw/zinc/45/15/90/494451590.db2.gz ZUZDYFTXUNUOGP-UHFFFAOYSA-N 1 2 352.413 3.038 40 0 FGABLO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccn1Cc1ccccc1F)C2 ZINC000019576629 494451592 /nfs/dbraw/zinc/45/15/92/494451592.db2.gz ZUZDYFTXUNUOGP-UHFFFAOYSA-N 1 2 352.413 3.038 40 0 FGABLO Cc1nc(COC[C@@H]2CN(Cc3ccco3)Cc3[nH+]cn(C)c32)cs1 ZINC000096068657 495001117 /nfs/dbraw/zinc/00/11/17/495001117.db2.gz YTENBCATBNIQNY-AWEZNQCLSA-N 1 2 358.467 3.094 40 0 FGABLO c1ccc(OC[C@@H]2CCOC23C[NH+](Cc2ccc4ccccc4n2)C3)nc1 ZINC000248337902 496980706 /nfs/dbraw/zinc/98/07/06/496980706.db2.gz QOVRZNYWNHFDGD-SFHVURJKSA-N 1 2 361.445 3.300 40 0 FGABLO Cc1nc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)sc1C ZINC000257202911 497390747 /nfs/dbraw/zinc/39/07/47/497390747.db2.gz ANWRFSBGIPSYFO-AWEZNQCLSA-N 1 2 369.498 3.396 40 0 FGABLO Cc1nc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)sc1C ZINC000257202911 497390751 /nfs/dbraw/zinc/39/07/51/497390751.db2.gz ANWRFSBGIPSYFO-AWEZNQCLSA-N 1 2 369.498 3.396 40 0 FGABLO Cc1csc(Nc2cc([C@@H]3CCC[N@H+](Cc4cnc[nH]4)C3)nc(C)n2)n1 ZINC000257215227 497392550 /nfs/dbraw/zinc/39/25/50/497392550.db2.gz CPFAMRJSMYXFPJ-CQSZACIVSA-N 1 2 369.498 3.396 40 0 FGABLO Cc1csc(Nc2cc([C@@H]3CCC[N@@H+](Cc4cnc[nH]4)C3)nc(C)n2)n1 ZINC000257215227 497392552 /nfs/dbraw/zinc/39/25/52/497392552.db2.gz CPFAMRJSMYXFPJ-CQSZACIVSA-N 1 2 369.498 3.396 40 0 FGABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000257267848 497397883 /nfs/dbraw/zinc/39/78/83/497397883.db2.gz MIZYZDLBHKUSCW-CQSZACIVSA-N 1 2 369.498 3.163 40 0 FGABLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000257267848 497397887 /nfs/dbraw/zinc/39/78/87/497397887.db2.gz MIZYZDLBHKUSCW-CQSZACIVSA-N 1 2 369.498 3.163 40 0 FGABLO CC(C)CNc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)C3CC3)C2)cc[nH+]1 ZINC000257287684 497399244 /nfs/dbraw/zinc/39/92/44/497399244.db2.gz PRBRDZKKZYGTDP-INIZCTEOSA-N 1 2 353.470 3.266 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000306125406 498736233 /nfs/dbraw/zinc/73/62/33/498736233.db2.gz CPJQCXSRBTXWSX-PXNSSMCTSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000306125406 498736236 /nfs/dbraw/zinc/73/62/36/498736236.db2.gz CPJQCXSRBTXWSX-PXNSSMCTSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000306131318 498738995 /nfs/dbraw/zinc/73/89/95/498738995.db2.gz KBPUYJRBZLGWRP-YLJYHZDGSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000306131318 498739003 /nfs/dbraw/zinc/73/90/03/498739003.db2.gz KBPUYJRBZLGWRP-YLJYHZDGSA-N 1 2 366.442 3.097 40 0 FGABLO CC(C)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccncc2)[nH+]1 ZINC000328985248 499006276 /nfs/dbraw/zinc/00/62/76/499006276.db2.gz HRGVMYNBCWPFPQ-UHFFFAOYSA-N 1 2 353.857 3.468 40 0 FGABLO CCNc1nc(Nc2ccc(Br)cc2F)cc(C2CC2)[nH+]1 ZINC000329051897 499027149 /nfs/dbraw/zinc/02/71/49/499027149.db2.gz UYQJVSFLWBBHCF-UHFFFAOYSA-N 1 2 351.223 3.275 40 0 FGABLO Cc1ccccc1C[N@H+]1Cc2ccnn2[C@H](CCNC(=O)CC2CC2)C1 ZINC000585112480 507576591 /nfs/dbraw/zinc/57/65/91/507576591.db2.gz RTJLALDOROGCAV-LJQANCHMSA-N 1 2 352.482 3.055 40 0 FGABLO Cc1ccccc1C[N@@H+]1Cc2ccnn2[C@H](CCNC(=O)CC2CC2)C1 ZINC000585112480 507576593 /nfs/dbraw/zinc/57/65/93/507576593.db2.gz RTJLALDOROGCAV-LJQANCHMSA-N 1 2 352.482 3.055 40 0 FGABLO CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020040752 522874932 /nfs/dbraw/zinc/87/49/32/522874932.db2.gz IPNNDCVQPODWEW-FQEVSTJZSA-N 1 2 365.433 3.355 40 0 FGABLO COc1ccc(CSCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000020456435 524124325 /nfs/dbraw/zinc/12/43/25/524124325.db2.gz GUAYZUPZAFRNLX-UHFFFAOYSA-N 1 2 367.474 3.431 40 0 FGABLO CC(C)[C@H](CO)Nc1nc(NCc2ccco2)cc(-c2ccccc2)[nH+]1 ZINC000328976046 203843924 /nfs/dbraw/zinc/84/39/24/203843924.db2.gz FMYXVZMPBYKLRK-SFHVURJKSA-N 1 2 352.438 3.199 40 0 FGABLO Cn1cc[nH+]c1CN1CCOC[C@H]1c1nc(-c2cccc(Cl)c2)c[nH]1 ZINC000072322136 205030690 /nfs/dbraw/zinc/03/06/90/205030690.db2.gz KBGCHQNTFRNDGP-INIZCTEOSA-N 1 2 357.845 3.037 40 0 biogenic,in-vitro FGABLO CC[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(OC)cc1 ZINC000038771200 205042608 /nfs/dbraw/zinc/04/26/08/205042608.db2.gz UAUSAQYAWNGHNB-OAQYLSRUSA-N 1 2 368.477 3.409 40 0 FGABLO COc1ccc2cc(C[N@H+](C)Cc3[nH]nc4c3CCCC4)c(OC)nc2c1 ZINC000057811456 205246094 /nfs/dbraw/zinc/24/60/94/205246094.db2.gz NACOUAOUJBMUFM-UHFFFAOYSA-N 1 2 366.465 3.486 40 0 FGABLO COc1ccc2cc(C[N@@H+](C)Cc3[nH]nc4c3CCCC4)c(OC)nc2c1 ZINC000057811456 205246097 /nfs/dbraw/zinc/24/60/97/205246097.db2.gz NACOUAOUJBMUFM-UHFFFAOYSA-N 1 2 366.465 3.486 40 0 FGABLO O=C(c1cccs1)N1CC[C@H]2OCC[C@@]2(CCNc2cccc[nH+]2)C1 ZINC000096206706 205851142 /nfs/dbraw/zinc/85/11/42/205851142.db2.gz SAEFTNLHRNVYNJ-APWZRJJASA-N 1 2 357.479 3.267 40 0 FGABLO C[C@H]1CCC[N@@H+]([C@@H](c2nnnn2CCc2ccccc2)c2ccncc2)C1 ZINC000195812062 206334754 /nfs/dbraw/zinc/33/47/54/206334754.db2.gz BOVVBDPYSPKODZ-FXAWDEMLSA-N 1 2 362.481 3.132 40 0 FGABLO C[C@H]1CCC[N@H+]([C@@H](c2nnnn2CCc2ccccc2)c2ccncc2)C1 ZINC000195812062 206334760 /nfs/dbraw/zinc/33/47/60/206334760.db2.gz BOVVBDPYSPKODZ-FXAWDEMLSA-N 1 2 362.481 3.132 40 0 FGABLO c1coc(C[NH+]2CCN(c3nccn4c(-c5ccccc5)cnc34)CC2)c1 ZINC000306127765 132301389 /nfs/dbraw/zinc/30/13/89/132301389.db2.gz GHBRNCGUDYSUAF-UHFFFAOYSA-N 1 2 359.433 3.312 40 0 FGABLO CCCC[C@H](c1nnnn1C(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670193 136129973 /nfs/dbraw/zinc/12/99/73/136129973.db2.gz VJMSXPYBTJNUHO-GOSISDBHSA-N 1 2 360.481 3.447 40 0 FGABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc[nH+]c2N(C)C)cc1 ZINC000072212694 494144457 /nfs/dbraw/zinc/14/44/57/494144457.db2.gz OQWWTMJSDAPCLB-GOSISDBHSA-N 1 2 359.495 3.372 40 0 FGABLO CC(C)Cc1cc(C(=O)N2CC[N@H+](Cc3ccco3)C[C@@H]2C(C)C)no1 ZINC000072324109 494151733 /nfs/dbraw/zinc/15/17/33/494151733.db2.gz VVULFTCFICGQQS-LJQANCHMSA-N 1 2 359.470 3.449 40 0 FGABLO CC(C)Cc1cc(C(=O)N2CC[N@@H+](Cc3ccco3)C[C@@H]2C(C)C)no1 ZINC000072324109 494151736 /nfs/dbraw/zinc/15/17/36/494151736.db2.gz VVULFTCFICGQQS-LJQANCHMSA-N 1 2 359.470 3.449 40 0 FGABLO COc1cccc([C@@H](NC(=O)N(C(C)C)C(C)C)c2[nH+]ccn2C)c1OC ZINC000012114967 494205102 /nfs/dbraw/zinc/20/51/02/494205102.db2.gz IMAGIDSYHXJNIW-QGZVFWFLSA-N 1 2 374.485 3.355 40 0 FGABLO Cn1ccnc1C[N@@H+]1CCC[C@H](n2nnc3cc(C(F)(F)F)ccc32)C1 ZINC000012143345 494207999 /nfs/dbraw/zinc/20/79/99/494207999.db2.gz DZTAXXNMIIEUMW-ZDUSSCGKSA-N 1 2 364.375 3.021 40 0 FGABLO Cn1ccnc1C[N@H+]1CCC[C@H](n2nnc3cc(C(F)(F)F)ccc32)C1 ZINC000012143345 494208004 /nfs/dbraw/zinc/20/80/04/494208004.db2.gz DZTAXXNMIIEUMW-ZDUSSCGKSA-N 1 2 364.375 3.021 40 0 FGABLO Cc1cccc2cc(CNc3ccc([NH+]4CCC(O)CC4)cc3)c(=O)[nH]c12 ZINC000013563026 494289511 /nfs/dbraw/zinc/28/95/11/494289511.db2.gz DZPJECLRUCIXCM-UHFFFAOYSA-N 1 2 363.461 3.410 40 0 FGABLO CCOc1ccc(C[N@@H+]2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)cc1 ZINC000019533383 494447539 /nfs/dbraw/zinc/44/75/39/494447539.db2.gz MZEKBSLDBVYIDQ-UHFFFAOYSA-N 1 2 362.433 3.201 40 0 FGABLO CCOc1ccc(C[N@H+]2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)cc1 ZINC000019533383 494447543 /nfs/dbraw/zinc/44/75/43/494447543.db2.gz MZEKBSLDBVYIDQ-UHFFFAOYSA-N 1 2 362.433 3.201 40 0 FGABLO [NH3+][C@H](c1nc(-c2cc(Br)ccc2O)n[nH]1)c1ccc(F)cc1 ZINC000095533300 494989919 /nfs/dbraw/zinc/98/99/19/494989919.db2.gz OGGOFASVIUKPIP-ZDUSSCGKSA-N 1 2 363.190 3.127 40 0 FGABLO CCn1cc2c(n1)C[N@@H+](Cc1ccc(OC)cc1)C[C@H]2COCC1CC1 ZINC000096060433 495000269 /nfs/dbraw/zinc/00/02/69/495000269.db2.gz YBWXPKUZOXESGB-SFHVURJKSA-N 1 2 355.482 3.438 40 0 FGABLO CCn1cc2c(n1)C[N@H+](Cc1ccc(OC)cc1)C[C@H]2COCC1CC1 ZINC000096060433 495000271 /nfs/dbraw/zinc/00/02/71/495000271.db2.gz YBWXPKUZOXESGB-SFHVURJKSA-N 1 2 355.482 3.438 40 0 FGABLO c1csc(C[N@@H+]2CCc3nc(N4CCCC4)nc(NC4CC4)c3C2)c1 ZINC000096254107 495009152 /nfs/dbraw/zinc/00/91/52/495009152.db2.gz BHRSUYCUICTOTB-UHFFFAOYSA-N 1 2 355.511 3.271 40 0 FGABLO c1csc(C[N@H+]2CCc3nc(N4CCCC4)nc(NC4CC4)c3C2)c1 ZINC000096254107 495009157 /nfs/dbraw/zinc/00/91/57/495009157.db2.gz BHRSUYCUICTOTB-UHFFFAOYSA-N 1 2 355.511 3.271 40 0 FGABLO Cc1ccsc1C[N@H+]1Cc2ccnn2[C@@H](CC(=O)NCc2ccco2)C1 ZINC000253599278 497344625 /nfs/dbraw/zinc/34/46/25/497344625.db2.gz NESRJBXVPQVEDV-INIZCTEOSA-N 1 2 370.478 3.109 40 0 FGABLO Cc1ccsc1C[N@@H+]1Cc2ccnn2[C@@H](CC(=O)NCc2ccco2)C1 ZINC000253599278 497344629 /nfs/dbraw/zinc/34/46/29/497344629.db2.gz NESRJBXVPQVEDV-INIZCTEOSA-N 1 2 370.478 3.109 40 0 FGABLO O=C(c1ccc2ncccc2c1)N1Cc2c[nH+]cn2[C@@H](COCC2CC2)C1 ZINC000253616719 497347211 /nfs/dbraw/zinc/34/72/11/497347211.db2.gz OKKHUFDMPZTVLH-LJQANCHMSA-N 1 2 362.433 3.055 40 0 FGABLO Cc1csc(Nc2nccnc2C2CC[NH+](Cc3cn[nH]c3C)CC2)n1 ZINC000257204507 497391033 /nfs/dbraw/zinc/39/10/33/497391033.db2.gz AUXZUCPVKJGZSJ-UHFFFAOYSA-N 1 2 369.498 3.396 40 0 FGABLO CNc1cc([C@@H]2CCCN(C(=O)c3ccc(C(C)C)[nH]c3=O)C2)cc[nH+]1 ZINC000257271729 497398058 /nfs/dbraw/zinc/39/80/58/497398058.db2.gz MZOKCJDFSRFXKH-OAHLLOKOSA-N 1 2 354.454 3.367 40 0 FGABLO COc1ccccc1Oc1nccnc1[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000257306415 497400756 /nfs/dbraw/zinc/40/07/56/497400756.db2.gz SUEVCCOQFGYMQN-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1ccccc1Oc1nccnc1[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000257306415 497400760 /nfs/dbraw/zinc/40/07/60/497400760.db2.gz SUEVCCOQFGYMQN-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO O=C(c1ccncc1)N1CC[C@]2(Cc3[nH+]cc(-c4ccsc4)n3C2)C1 ZINC000306132319 498738431 /nfs/dbraw/zinc/73/84/31/498738431.db2.gz LFCDJMKOJWIVHO-IBGZPJMESA-N 1 2 350.447 3.095 40 0 FGABLO CNc1nc(NCc2cccc(Br)c2)cc(-c2ccccc2)[nH+]1 ZINC000328962050 499000177 /nfs/dbraw/zinc/00/01/77/499000177.db2.gz BGUGYCQFPFOFAI-UHFFFAOYSA-N 1 2 369.266 3.404 40 0 FGABLO C[C@@H](CO)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328964041 499000403 /nfs/dbraw/zinc/00/04/03/499000403.db2.gz BSJOXIJZRVTEGZ-LBPRGKRZSA-N 1 2 372.831 3.316 40 0 FGABLO OCCCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328966971 499001250 /nfs/dbraw/zinc/00/12/50/499001250.db2.gz CPXHVXOSZVCPHM-UHFFFAOYSA-N 1 2 353.253 3.043 40 0 FGABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2)cc(-c2cccnc2)[nH+]1 ZINC000328972165 499002746 /nfs/dbraw/zinc/00/27/46/499002746.db2.gz DUOHDUZGPRTIJO-LJQANCHMSA-N 1 2 363.465 3.001 40 0 FGABLO C[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329008523 499013243 /nfs/dbraw/zinc/01/32/43/499013243.db2.gz LSGJYMGHBRTZQI-SECBINFHSA-N 1 2 353.253 3.041 40 0 FGABLO CC[C@H](C)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329020366 499017366 /nfs/dbraw/zinc/01/73/66/499017366.db2.gz OBTYVENUMHBSJP-ZDUSSCGKSA-N 1 2 369.419 3.483 40 0 FGABLO Clc1ccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CC3)n2)cc1 ZINC000329028366 499020016 /nfs/dbraw/zinc/02/00/16/499020016.db2.gz PUHSAWVGFBXCIJ-UHFFFAOYSA-N 1 2 351.841 3.222 40 0 FGABLO Cc1cc(CN2CCn3c(CCOCC4CCCC4)c[nH+]c3[C@H]2C)[nH]n1 ZINC000585098306 507566204 /nfs/dbraw/zinc/56/62/04/507566204.db2.gz TWINUUYWOHBDLM-MRXNPFEDSA-N 1 2 357.502 3.241 40 0 FGABLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H]1c1csc(Nc2ccccn2)n1 ZINC000585291301 507585528 /nfs/dbraw/zinc/58/55/28/507585528.db2.gz NBUWIXDAOWVLQD-LQYUOIDQSA-N 1 2 366.450 3.382 40 0 FGABLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H]1c1csc(Nc2ccccn2)n1 ZINC000585291297 507586889 /nfs/dbraw/zinc/58/68/89/507586889.db2.gz NBUWIXDAOWVLQD-LFAOLKIESA-N 1 2 366.450 3.382 40 0 FGABLO COc1ccc(/C=C/C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000019933237 523390992 /nfs/dbraw/zinc/39/09/92/523390992.db2.gz MZZSYXYEBJZLAM-UXBLZVDNSA-N 1 2 363.417 3.219 40 0 FGABLO Cc1cc(C[N@@H+]2CCC[C@]3(C[C@@H](OCc4cccc(C)n4)CO3)C2)no1 ZINC000096208327 209133932 /nfs/dbraw/zinc/13/39/32/209133932.db2.gz CLNHGFVRCZHARX-UXHICEINSA-N 1 2 357.454 3.027 40 0 FGABLO Cc1cc(C[N@H+]2CCC[C@]3(C[C@@H](OCc4cccc(C)n4)CO3)C2)no1 ZINC000096208327 209133933 /nfs/dbraw/zinc/13/39/33/209133933.db2.gz CLNHGFVRCZHARX-UXHICEINSA-N 1 2 357.454 3.027 40 0 FGABLO CC[NH+](CC)CN1c2ccccc2[C@@]2(NCCc3c4ccccc4[nH]c32)C1=O ZINC000013635179 220080691 /nfs/dbraw/zinc/08/06/91/220080691.db2.gz PAGSUPZQAWVOKD-QHCPKHFHSA-N 1 2 374.488 3.203 40 0 FGABLO CNc1ncccc1C[N@@H+](Cc1cc(OC)ccc1OC)C[C@@H]1CCCO1 ZINC000012187521 207346528 /nfs/dbraw/zinc/34/65/28/207346528.db2.gz DINUKNJFSWDHBP-IBGZPJMESA-N 1 2 371.481 3.322 40 0 FGABLO CNc1ncccc1C[N@H+](Cc1cc(OC)ccc1OC)C[C@@H]1CCCO1 ZINC000012187521 207346532 /nfs/dbraw/zinc/34/65/32/207346532.db2.gz DINUKNJFSWDHBP-IBGZPJMESA-N 1 2 371.481 3.322 40 0 FGABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](Cc4ccc(OC)cc4)C3)[nH]n2c1=O ZINC000012276390 207353444 /nfs/dbraw/zinc/35/34/44/207353444.db2.gz XWEIEZKZHUQDRS-MRXNPFEDSA-N 1 2 366.465 3.304 40 0 FGABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4ccc(OC)cc4)C3)[nH]n2c1=O ZINC000012276390 207353446 /nfs/dbraw/zinc/35/34/46/207353446.db2.gz XWEIEZKZHUQDRS-MRXNPFEDSA-N 1 2 366.465 3.304 40 0 FGABLO COc1ccc(NC(=O)[C@@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)cc1 ZINC000019289982 207657917 /nfs/dbraw/zinc/65/79/17/207657917.db2.gz VJTCIRPBBFNGKQ-OAHLLOKOSA-N 1 2 364.449 3.437 40 0 FGABLO CCOC[C@H]1c2c(cnn2CC2CCOCC2)CC[N@H+]1Cc1ccco1 ZINC000096044547 209101157 /nfs/dbraw/zinc/10/11/57/209101157.db2.gz PPLFYRPJNMFERG-IBGZPJMESA-N 1 2 359.470 3.039 40 0 FGABLO CCOC[C@H]1c2c(cnn2CC2CCOCC2)CC[N@@H+]1Cc1ccco1 ZINC000096044547 209101160 /nfs/dbraw/zinc/10/11/60/209101160.db2.gz PPLFYRPJNMFERG-IBGZPJMESA-N 1 2 359.470 3.039 40 0 FGABLO Cc1cccc(Nc2cc(C)nc([C@H]3CCC[N@H+](Cc4ncc[nH]4)C3)n2)n1 ZINC000072360084 208839346 /nfs/dbraw/zinc/83/93/46/208839346.db2.gz FOJRHZNBEOHEQO-INIZCTEOSA-N 1 2 363.469 3.335 40 0 FGABLO Cc1cccc(Nc2cc(C)nc([C@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)n2)n1 ZINC000072360084 208839348 /nfs/dbraw/zinc/83/93/48/208839348.db2.gz FOJRHZNBEOHEQO-INIZCTEOSA-N 1 2 363.469 3.335 40 0 FGABLO c1cc(C[NH+]2CCN(c3nccn4c(-c5ccccc5)cnc34)CC2)co1 ZINC000306133704 132301686 /nfs/dbraw/zinc/30/16/86/132301686.db2.gz MTDMVHWSEJXFQT-UHFFFAOYSA-N 1 2 359.433 3.312 40 0 FGABLO CC[C@@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000057669548 136129694 /nfs/dbraw/zinc/12/96/94/136129694.db2.gz JQEWCMQTPNSFRI-IBGZPJMESA-N 1 2 370.501 3.070 40 0 FGABLO CC[C@@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057669841 136129936 /nfs/dbraw/zinc/12/99/36/136129936.db2.gz URBDYWDZPXYJLN-KRWDZBQOSA-N 1 2 360.481 3.231 40 0 FGABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000072355331 494157637 /nfs/dbraw/zinc/15/76/37/494157637.db2.gz IGTMPSCBAFIMNM-KRWDZBQOSA-N 1 2 361.449 3.245 40 0 FGABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc[nH+]1 ZINC000072360788 494158205 /nfs/dbraw/zinc/15/82/05/494158205.db2.gz WXWXDLCOFMNZEI-OAHLLOKOSA-N 1 2 362.437 3.465 40 0 FGABLO CCn1cc(-c2cc(NCC(C)(C)c3ccc(F)cc3)nc(N)[nH+]2)cn1 ZINC000072373189 494159441 /nfs/dbraw/zinc/15/94/41/494159441.db2.gz KBZGXFFWJUFVAZ-UHFFFAOYSA-N 1 2 354.433 3.471 40 0 FGABLO CO[C@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000012115010 494204782 /nfs/dbraw/zinc/20/47/82/494204782.db2.gz ZINOMXNHMLBXMR-ROUUACIJSA-N 1 2 371.387 3.292 40 0 FGABLO COc1ccc(C[N@@H+]2CC[C@@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)c(F)c1 ZINC000012746208 494254442 /nfs/dbraw/zinc/25/44/42/494254442.db2.gz RTXCUBDYOOMDPG-OAHLLOKOSA-N 1 2 370.428 3.189 40 0 FGABLO COc1ccc(C[N@H+]2CC[C@@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)c(F)c1 ZINC000012746208 494254448 /nfs/dbraw/zinc/25/44/48/494254448.db2.gz RTXCUBDYOOMDPG-OAHLLOKOSA-N 1 2 370.428 3.189 40 0 FGABLO O=C(CSc1cccc2cccnc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000016545955 494393012 /nfs/dbraw/zinc/39/30/12/494393012.db2.gz OKUDDRGDVADKAG-UHFFFAOYSA-N 1 2 364.474 3.071 40 0 FGABLO Cc1csc2c([C@H]3CCCN(C(=O)c4cn(C)nc4C)C3)[nH+]c(C)n12 ZINC000019240449 494439345 /nfs/dbraw/zinc/43/93/45/494439345.db2.gz VVZIVILWTFBUAZ-AWEZNQCLSA-N 1 2 357.483 3.074 40 0 FGABLO CCc1[nH+]c2cc(NC(=O)COc3ccc4nsnc4c3)ccc2n1C ZINC000019523193 494448056 /nfs/dbraw/zinc/44/80/56/494448056.db2.gz IYBDGOUQSDSZHN-UHFFFAOYSA-N 1 2 367.434 3.158 40 0 FGABLO CCOc1ccc([C@@H]([NH3+])c2nc(CNc3ccccc3)n[nH]2)cc1OCC ZINC000095534541 494989382 /nfs/dbraw/zinc/98/93/82/494989382.db2.gz NDTRTZYOFYJOOQ-LJQANCHMSA-N 1 2 367.453 3.262 40 0 FGABLO CCOc1ccc([C@@H]([NH3+])c2nnc(CNc3ccccc3)[nH]2)cc1OCC ZINC000095534541 494989387 /nfs/dbraw/zinc/98/93/87/494989387.db2.gz NDTRTZYOFYJOOQ-LJQANCHMSA-N 1 2 367.453 3.262 40 0 FGABLO CCOc1ccc([C@@H]([NH3+])c2n[nH]c(CNc3ccccc3)n2)cc1OCC ZINC000095534541 494989392 /nfs/dbraw/zinc/98/93/92/494989392.db2.gz NDTRTZYOFYJOOQ-LJQANCHMSA-N 1 2 367.453 3.262 40 0 FGABLO COc1cccc(C[NH+]2CC3(C2)C[C@@H](OCc2cnccc2C)CCO3)c1 ZINC000247836519 496920129 /nfs/dbraw/zinc/92/01/29/496920129.db2.gz NMBDBTAPPUIMMO-NRFANRHFSA-N 1 2 368.477 3.349 40 0 FGABLO Fc1cccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000225777996 497074945 /nfs/dbraw/zinc/07/49/45/497074945.db2.gz DOKKQMWLHZDYTJ-UHFFFAOYSA-N 1 2 359.470 3.145 40 0 FGABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2C(=O)Cc2cccs2)c1 ZINC000257226122 497393307 /nfs/dbraw/zinc/39/33/07/497393307.db2.gz FJEXJQBJMZZOEU-QGZVFWFLSA-N 1 2 353.447 3.279 40 0 FGABLO Cn1ccnc1C[N@@H+]1[C@H](c2ccc(F)cc2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257286502 497399987 /nfs/dbraw/zinc/39/99/87/497399987.db2.gz PLVUHMXJUUZTJA-WFXMLNOXSA-N 1 2 370.472 3.324 40 0 FGABLO Cn1ccnc1C[N@H+]1[C@H](c2ccc(F)cc2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257286502 497399991 /nfs/dbraw/zinc/39/99/91/497399991.db2.gz PLVUHMXJUUZTJA-WFXMLNOXSA-N 1 2 370.472 3.324 40 0 FGABLO Cc1c([C@H]2C[C@@H]2c2nc3n(n2)C(C)=CNC3C)[nH+]c2c3cccnc3ccn12 ZINC000299754582 497912349 /nfs/dbraw/zinc/91/23/49/497912349.db2.gz VFOUTFQJHQVMEH-UVBJJODRSA-N 1 2 371.448 3.175 40 0 FGABLO C[N@@H+]1CCC[C@@H]1c1nc(C(=O)NCc2ccc(F)cc2)c2ccccn21 ZINC000306124879 498736929 /nfs/dbraw/zinc/73/69/29/498736929.db2.gz CBFMWKVQOLLGOH-QGZVFWFLSA-N 1 2 352.413 3.170 40 0 FGABLO C[N@H+]1CCC[C@@H]1c1nc(C(=O)NCc2ccc(F)cc2)c2ccccn21 ZINC000306124879 498736934 /nfs/dbraw/zinc/73/69/34/498736934.db2.gz CBFMWKVQOLLGOH-QGZVFWFLSA-N 1 2 352.413 3.170 40 0 FGABLO C[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329032817 499021850 /nfs/dbraw/zinc/02/18/50/499021850.db2.gz QQBFHHMDTBVZAJ-CYBMUJFWSA-N 1 2 354.841 3.177 40 0 FGABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c(OC)c1 ZINC000329043787 499023771 /nfs/dbraw/zinc/02/37/71/499023771.db2.gz SUYIPCCAAXYDKD-UHFFFAOYSA-N 1 2 354.454 3.313 40 0 FGABLO CC(C)[C@@H](CO)Nc1nc(Nc2c(F)ccc(F)c2F)cc(C2CC2)[nH+]1 ZINC000329054841 499027517 /nfs/dbraw/zinc/02/75/17/499027517.db2.gz VMBBBUFGGHRIOC-CQSZACIVSA-N 1 2 366.387 3.366 40 0 FGABLO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(OC)cc1 ZINC000020050442 522784007 /nfs/dbraw/zinc/78/40/07/522784007.db2.gz RJJZONYNBFBDGV-OAQYLSRUSA-N 1 2 368.477 3.409 40 0 FGABLO COc1ccc(OCCCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000020104564 524942330 /nfs/dbraw/zinc/94/23/30/524942330.db2.gz HGMMGDDLCJHEIT-UHFFFAOYSA-N 1 2 365.433 3.356 40 0 FGABLO CCC[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057669683 535722621 /nfs/dbraw/zinc/72/26/21/535722621.db2.gz ZVOQNUQVBKZUOX-QGZVFWFLSA-N 1 2 360.481 3.231 40 0 FGABLO COc1ccccc1OC[C@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000224375912 570986670 /nfs/dbraw/zinc/98/66/70/570986670.db2.gz QXHRTTCTNKYYIY-INIZCTEOSA-N 1 2 365.433 3.137 40 0 FGABLO Cc1cc(C)n(CCCC(=O)N2CCC(Cc3cc[nH+]c(C)c3)CC2)n1 ZINC000257267859 209984303 /nfs/dbraw/zinc/98/43/03/209984303.db2.gz MJBPZSAYGRIUFX-UHFFFAOYSA-N 1 2 354.498 3.465 40 0 FGABLO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000107249467 209275526 /nfs/dbraw/zinc/27/55/26/209275526.db2.gz FPRCCZOJQJKXHB-SWLSCSKDSA-N 1 2 367.396 3.118 40 0 FGABLO O=C(c1cscn1)N1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000107249467 209275527 /nfs/dbraw/zinc/27/55/27/209275527.db2.gz FPRCCZOJQJKXHB-SWLSCSKDSA-N 1 2 367.396 3.118 40 0 FGABLO Fc1cccc(-c2nc3c(c(NC4CC4)n2)C[N@@H+]([C@@H]2CCOC2)CC3)c1 ZINC000096254242 209146445 /nfs/dbraw/zinc/14/64/45/209146445.db2.gz AHUHFAWWNFEFJI-MRXNPFEDSA-N 1 2 354.429 3.004 40 0 FGABLO Fc1cccc(-c2nc3c(c(NC4CC4)n2)C[N@H+]([C@@H]2CCOC2)CC3)c1 ZINC000096254242 209146451 /nfs/dbraw/zinc/14/64/51/209146451.db2.gz AHUHFAWWNFEFJI-MRXNPFEDSA-N 1 2 354.429 3.004 40 0 FGABLO CNc1ncccc1C[N@@H+](Cc1ccc(OC)cc1OC)C[C@@H]1CCCO1 ZINC000012187274 207346721 /nfs/dbraw/zinc/34/67/21/207346721.db2.gz QBXROSXUBZMKFP-IBGZPJMESA-N 1 2 371.481 3.322 40 0 FGABLO CNc1ncccc1C[N@H+](Cc1ccc(OC)cc1OC)C[C@@H]1CCCO1 ZINC000012187274 207346724 /nfs/dbraw/zinc/34/67/24/207346724.db2.gz QBXROSXUBZMKFP-IBGZPJMESA-N 1 2 371.481 3.322 40 0 FGABLO O=C(Cc1cccc(F)c1)N1Cc2ccccc2OC[C@@H]1Cn1cc[nH+]c1 ZINC000012128276 207340381 /nfs/dbraw/zinc/34/03/81/207340381.db2.gz OXRMSSLWJRNUSX-IBGZPJMESA-N 1 2 365.408 3.055 40 0 FGABLO O=C(Cc1ccc(F)cc1)N1Cc2ccccc2OC[C@@H]1Cn1cc[nH+]c1 ZINC000012128234 207341259 /nfs/dbraw/zinc/34/12/59/207341259.db2.gz AWYRUHLHZDHNHZ-IBGZPJMESA-N 1 2 365.408 3.055 40 0 FGABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[N@H+](Cc1ccc(F)cc1)CC3 ZINC000012142906 207342795 /nfs/dbraw/zinc/34/27/95/207342795.db2.gz VKKVSXGADIBMQR-UHFFFAOYSA-N 1 2 354.429 3.430 40 0 FGABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[N@@H+](Cc1ccc(F)cc1)CC3 ZINC000012142906 207342798 /nfs/dbraw/zinc/34/27/98/207342798.db2.gz VKKVSXGADIBMQR-UHFFFAOYSA-N 1 2 354.429 3.430 40 0 FGABLO CCc1c(C)nc2cc(-c3cc(C)on3)nn2c1NCCCn1cc[nH+]c1 ZINC000012221271 207348766 /nfs/dbraw/zinc/34/87/66/207348766.db2.gz INJOYWQKHVQKPE-UHFFFAOYSA-N 1 2 365.441 3.262 40 0 FGABLO COC(=O)c1cc(I)ccc1C[NH+]1CCCCC1 ZINC000039951650 208213093 /nfs/dbraw/zinc/21/30/93/208213093.db2.gz IZTUEHPMTZFENM-UHFFFAOYSA-N 1 2 359.207 3.064 40 0 FGABLO CC(C)C[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669768 136129832 /nfs/dbraw/zinc/12/98/32/136129832.db2.gz VEMHVVWSWDDTBO-SFHVURJKSA-N 1 2 374.508 3.477 40 0 FGABLO CC(C)(C)OC(=O)N1CCN(c2ccc([C@H](O)c3ccccc3)c[nH+]2)CC1 ZINC000072225569 494145663 /nfs/dbraw/zinc/14/56/63/494145663.db2.gz YIHKJOGZPGETPA-LJQANCHMSA-N 1 2 369.465 3.220 40 0 FGABLO CCc1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3ccncc3)CC2)n1 ZINC000072378408 494160508 /nfs/dbraw/zinc/16/05/08/494160508.db2.gz PCAIDJGKKRKTQP-UHFFFAOYSA-N 1 2 361.449 3.245 40 0 FGABLO COc1cccc(Oc2cncc([C@H]3CCC[N@H+](Cc4ncc[nH]4)C3)n2)c1 ZINC000072384343 494162136 /nfs/dbraw/zinc/16/21/36/494162136.db2.gz FAYPRJGIKWMHNE-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2cncc([C@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)n2)c1 ZINC000072384343 494162139 /nfs/dbraw/zinc/16/21/39/494162139.db2.gz FAYPRJGIKWMHNE-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO C[C@H](CC(=O)c1ccc(Cl)nc1)[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000012649219 494249664 /nfs/dbraw/zinc/24/96/64/494249664.db2.gz RXQWCYRZXJWQSI-CYBMUJFWSA-N 1 2 367.877 3.249 40 0 FGABLO Fc1ccc(CN(CCC[NH+]2CCOCC2)Cc2cccnc2)cc1F ZINC000019338573 494442606 /nfs/dbraw/zinc/44/26/06/494442606.db2.gz GAQCDZMXGMDQQS-UHFFFAOYSA-N 1 2 361.436 3.084 40 0 FGABLO C[N@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)Cc1cccnc1 ZINC000019586577 494451561 /nfs/dbraw/zinc/45/15/61/494451561.db2.gz LYHLHWIENWRNNI-UHFFFAOYSA-N 1 2 370.453 3.339 40 0 FGABLO C[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)Cc1cccnc1 ZINC000019586577 494451563 /nfs/dbraw/zinc/45/15/63/494451563.db2.gz LYHLHWIENWRNNI-UHFFFAOYSA-N 1 2 370.453 3.339 40 0 FGABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@@H](c2ccccc2)C1 ZINC000019714178 494456501 /nfs/dbraw/zinc/45/65/01/494456501.db2.gz GNAPOZLMKFZLTN-LJQANCHMSA-N 1 2 350.462 3.149 40 0 FGABLO CC(C)(C)OC(=O)Nc1cncnc1[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000097759015 495045595 /nfs/dbraw/zinc/04/55/95/495045595.db2.gz BPLVADCUOQCWHM-QGZVFWFLSA-N 1 2 370.453 3.397 40 0 FGABLO CC(C)(C)OC(=O)Nc1cncnc1[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000097759015 495045599 /nfs/dbraw/zinc/04/55/99/495045599.db2.gz BPLVADCUOQCWHM-QGZVFWFLSA-N 1 2 370.453 3.397 40 0 FGABLO c1cncc(COCC[C@H]2CCOC3(C[NH+](Cc4cccnc4)C3)C2)c1 ZINC000247896637 496925775 /nfs/dbraw/zinc/92/57/75/496925775.db2.gz VBQGURFLLQHEEO-SFHVURJKSA-N 1 2 353.466 3.065 40 0 FGABLO CC(C)N1C[NH+]=C2N[C@@H]([C@@H]3CC=CCC3)n3c4ccccc4nc3N2C1 ZINC000226313408 497081519 /nfs/dbraw/zinc/08/15/19/497081519.db2.gz WLPPVRIIWXMKSQ-CRAIPNDOSA-N 1 2 350.470 3.296 40 0 FGABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(C(=O)CC(C)(C)C)C3)n2)n1C ZINC000257200824 497389443 /nfs/dbraw/zinc/38/94/43/497389443.db2.gz AFBAQXNUHUFWEL-INIZCTEOSA-N 1 2 369.513 3.403 40 0 FGABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1C(=O)Cc1cccs1 ZINC000257259515 497396195 /nfs/dbraw/zinc/39/61/95/497396195.db2.gz KYRXUXASNTVKKU-MRXNPFEDSA-N 1 2 353.447 3.279 40 0 FGABLO Cc1csc(Nc2nccnc2C2CC[NH+](Cc3ncc[nH]3)CC2)n1 ZINC000257312238 497402599 /nfs/dbraw/zinc/40/25/99/497402599.db2.gz UMZBVKKNYIKNJC-UHFFFAOYSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1nc(C[NH+]2CCC(c3nccnc3Nc3cnccn3)CC2)cs1 ZINC000257331811 497404374 /nfs/dbraw/zinc/40/43/74/497404374.db2.gz XUIVFWIENLJVIW-UHFFFAOYSA-N 1 2 367.482 3.155 40 0 FGABLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@H](C)C(=O)Nc1ccnn1C(C)C)C2 ZINC000329791772 497903113 /nfs/dbraw/zinc/90/31/13/497903113.db2.gz UTFLOPDFSHBQDM-OAHLLOKOSA-N 1 2 368.481 3.347 40 0 FGABLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H](C)C(=O)Nc1ccnn1C(C)C)C2 ZINC000329791772 497903124 /nfs/dbraw/zinc/90/31/24/497903124.db2.gz UTFLOPDFSHBQDM-OAHLLOKOSA-N 1 2 368.481 3.347 40 0 FGABLO Clc1ccccc1CNc1cc(-c2cccnc2)[nH+]c(NC2CC2)n1 ZINC000328955327 498998728 /nfs/dbraw/zinc/99/87/28/498998728.db2.gz ABRRROOIDQBTRB-UHFFFAOYSA-N 1 2 351.841 3.222 40 0 FGABLO C[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(C2CC2)[nH+]1 ZINC000329004800 499011907 /nfs/dbraw/zinc/01/19/07/499011907.db2.gz KTVDSDXPDRCCKT-SECBINFHSA-N 1 2 353.253 3.041 40 0 FGABLO c1ccc(-c2cc(NCCc3ccncc3)nc(NC3CCCC3)[nH+]2)cc1 ZINC000329002403 499012629 /nfs/dbraw/zinc/01/26/29/499012629.db2.gz KIBXUMDOVKETAD-UHFFFAOYSA-N 1 2 359.477 3.392 40 0 FGABLO CC[C@@H](C)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329008966 499012977 /nfs/dbraw/zinc/01/29/77/499012977.db2.gz LTMZKKVDDDZLTA-CYBMUJFWSA-N 1 2 369.419 3.483 40 0 FGABLO Cc1cc(CN2CCn3c(CCOCC4CCCC4)c[nH+]c3[C@@H]2C)[nH]n1 ZINC000585098303 507566844 /nfs/dbraw/zinc/56/68/44/507566844.db2.gz TWINUUYWOHBDLM-INIZCTEOSA-N 1 2 357.502 3.241 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCNC(=O)CC3CC3)C2)cc1 ZINC000585112181 507576239 /nfs/dbraw/zinc/57/62/39/507576239.db2.gz KLSLWXGYBHSLOA-LJQANCHMSA-N 1 2 352.482 3.055 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCNC(=O)CC3CC3)C2)cc1 ZINC000585112181 507576246 /nfs/dbraw/zinc/57/62/46/507576246.db2.gz KLSLWXGYBHSLOA-LJQANCHMSA-N 1 2 352.482 3.055 40 0 FGABLO Cc1cc(CC[C@H]2CCC[N@@H+]2Cc2ccccc2OCC(=O)[O-])cc[nH+]1 ZINC000257344067 210004099 /nfs/dbraw/zinc/00/40/99/210004099.db2.gz ZVQHIQIYZKVAEY-LJQANCHMSA-N 1 2 354.450 3.451 40 0 FGABLO Cc1cc(CC[C@H]2CCC[N@H+]2Cc2ccccc2OCC(=O)[O-])cc[nH+]1 ZINC000257344067 210004101 /nfs/dbraw/zinc/00/41/01/210004101.db2.gz ZVQHIQIYZKVAEY-LJQANCHMSA-N 1 2 354.450 3.451 40 0 FGABLO Cc1cc(CC2CCN(C(=O)CCc3nnc(C(C)C)o3)CC2)cc[nH+]1 ZINC000257241784 209975180 /nfs/dbraw/zinc/97/51/80/209975180.db2.gz HZOSSLGFQGGQNB-UHFFFAOYSA-N 1 2 356.470 3.310 40 0 FGABLO Cc1cc(NC(=O)[C@@H]2C[C@@]3(CO2)CN(C(C)C)c2ccccc23)cc[nH+]1 ZINC000096262830 209147597 /nfs/dbraw/zinc/14/75/97/209147597.db2.gz RZEYSHSJRQAHPC-FPOVZHCZSA-N 1 2 351.450 3.284 40 0 FGABLO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccco3)n2)cn1 ZINC000035425411 207161693 /nfs/dbraw/zinc/16/16/93/207161693.db2.gz FYPDGARZZXHKTO-INIZCTEOSA-N 1 2 370.409 3.087 40 0 biogenic,in-vitro FGABLO COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccco3)n2)cn1 ZINC000035425411 207161697 /nfs/dbraw/zinc/16/16/97/207161697.db2.gz FYPDGARZZXHKTO-INIZCTEOSA-N 1 2 370.409 3.087 40 0 biogenic,in-vitro FGABLO CNc1ncccc1C[N@@H+](Cc1cc(OC)ccc1OC)C[C@H]1CCCO1 ZINC000012187522 207346476 /nfs/dbraw/zinc/34/64/76/207346476.db2.gz DINUKNJFSWDHBP-LJQANCHMSA-N 1 2 371.481 3.322 40 0 FGABLO CNc1ncccc1C[N@H+](Cc1cc(OC)ccc1OC)C[C@H]1CCCO1 ZINC000012187522 207346478 /nfs/dbraw/zinc/34/64/78/207346478.db2.gz DINUKNJFSWDHBP-LJQANCHMSA-N 1 2 371.481 3.322 40 0 FGABLO CCn1cncc1C[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CCCO1 ZINC000012116796 207340049 /nfs/dbraw/zinc/34/00/49/207340049.db2.gz VZYRJOBWVVNSHD-SFHVURJKSA-N 1 2 359.470 3.101 40 0 FGABLO CCn1cncc1C[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CCCO1 ZINC000012116796 207340054 /nfs/dbraw/zinc/34/00/54/207340054.db2.gz VZYRJOBWVVNSHD-SFHVURJKSA-N 1 2 359.470 3.101 40 0 FGABLO COc1ccc(COc2ccc(C(=O)CC[NH+]3CCOCC3)cc2)cc1 ZINC000031771840 208018193 /nfs/dbraw/zinc/01/81/93/208018193.db2.gz WPPMOLSXDGQPRI-UHFFFAOYSA-N 1 2 355.434 3.179 40 0 FGABLO C[N@@H+](Cc1cn2c(n1)CN(Cc1ccc(F)cc1)CC2)Cc1ccco1 ZINC000096059528 209103774 /nfs/dbraw/zinc/10/37/74/209103774.db2.gz UEWFUXNPNNOZDL-UHFFFAOYSA-N 1 2 354.429 3.263 40 0 FGABLO C[N@H+](Cc1cn2c(n1)CN(Cc1ccc(F)cc1)CC2)Cc1ccco1 ZINC000096059528 209103777 /nfs/dbraw/zinc/10/37/77/209103777.db2.gz UEWFUXNPNNOZDL-UHFFFAOYSA-N 1 2 354.429 3.263 40 0 FGABLO Cc1cc(C)nc(SCC(=O)N/[NH+]=C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000006964260 493990261 /nfs/dbraw/zinc/99/02/61/493990261.db2.gz DKBHXRIVUZKISK-NKIAQIHVSA-N 1 2 369.494 3.067 40 0 FGABLO O=C(c1ccc(F)cc1)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378383 494160764 /nfs/dbraw/zinc/16/07/64/494160764.db2.gz GOZLHXGNKMIMEJ-MRXNPFEDSA-N 1 2 350.397 3.426 40 0 FGABLO COc1ccc(C[N@H+](Cc2cnn(C)c2)Cc2ccncc2)c(OC)c1 ZINC000013989859 494298693 /nfs/dbraw/zinc/29/86/93/494298693.db2.gz ZILSBHNACVDYMU-UHFFFAOYSA-N 1 2 352.438 3.035 40 0 FGABLO COc1ccc(C[N@@H+](Cc2cnn(C)c2)Cc2ccncc2)c(OC)c1 ZINC000013989859 494298697 /nfs/dbraw/zinc/29/86/97/494298697.db2.gz ZILSBHNACVDYMU-UHFFFAOYSA-N 1 2 352.438 3.035 40 0 FGABLO O=C(Cn1c[nH+]c2cc3c(cc21)OCCCO3)N1CCCc2ccccc21 ZINC000014000684 494299844 /nfs/dbraw/zinc/29/98/44/494299844.db2.gz PBFCCINJMZGBHK-UHFFFAOYSA-N 1 2 363.417 3.177 40 0 FGABLO Cc1ccc(CC(=O)N2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019209838 494437762 /nfs/dbraw/zinc/43/77/62/494437762.db2.gz CPZCZKXFJOKREZ-HXUWFJFHSA-N 1 2 364.493 3.069 40 0 FGABLO Cc1ccc(CC(=O)N2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019209838 494437767 /nfs/dbraw/zinc/43/77/67/494437767.db2.gz CPZCZKXFJOKREZ-HXUWFJFHSA-N 1 2 364.493 3.069 40 0 FGABLO Cc1csc2c([C@@H]3CCCN(C(=O)c4cnn(C)c4C)C3)[nH+]c(C)n12 ZINC000019240459 494439165 /nfs/dbraw/zinc/43/91/65/494439165.db2.gz IRSWLCOYRWWOLZ-CQSZACIVSA-N 1 2 357.483 3.074 40 0 FGABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000019349370 494443068 /nfs/dbraw/zinc/44/30/68/494443068.db2.gz RLGXFWYHLBKWMI-UHFFFAOYSA-N 1 2 352.825 3.044 40 0 FGABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@H+](Cc1ccccc1Cl)C2 ZINC000019349370 494443074 /nfs/dbraw/zinc/44/30/74/494443074.db2.gz RLGXFWYHLBKWMI-UHFFFAOYSA-N 1 2 352.825 3.044 40 0 FGABLO O=C(c1ncoc1-c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019372072 494443161 /nfs/dbraw/zinc/44/31/61/494443161.db2.gz PNCJJKQFOISCTH-UHFFFAOYSA-N 1 2 353.447 3.361 40 0 FGABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(-c4ccccc4F)cn3)C2)cn1 ZINC000019692429 494455441 /nfs/dbraw/zinc/45/54/41/494455441.db2.gz AIWIBBIRCYLXAP-HXUWFJFHSA-N 1 2 352.413 3.195 40 0 FGABLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(-c4ccccc4F)cn3)C2)cn1 ZINC000019692429 494455443 /nfs/dbraw/zinc/45/54/43/494455443.db2.gz AIWIBBIRCYLXAP-HXUWFJFHSA-N 1 2 352.413 3.195 40 0 FGABLO COc1ccccc1C[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 ZINC000096112172 495002205 /nfs/dbraw/zinc/00/22/05/495002205.db2.gz BVFHDEGDVLHBDT-BEFAXECRSA-N 1 2 355.413 3.311 40 0 biogenic,in-vitro FGABLO COc1ccccc1C[N@H+]1C[C@@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 ZINC000096112172 495002209 /nfs/dbraw/zinc/00/22/09/495002209.db2.gz BVFHDEGDVLHBDT-BEFAXECRSA-N 1 2 355.413 3.311 40 0 biogenic,in-vitro FGABLO COc1cccc(C[NH+]2CC3(C2)C[C@H](OCc2cnccc2C)CCO3)c1 ZINC000247836523 496920090 /nfs/dbraw/zinc/92/00/90/496920090.db2.gz NMBDBTAPPUIMMO-OAQYLSRUSA-N 1 2 368.477 3.349 40 0 FGABLO Cc1cc(C(=O)N2CC3(C2)OCC[C@@H]3CCNc2cccc[nH+]2)c(C)o1 ZINC000247830090 496920266 /nfs/dbraw/zinc/92/02/66/496920266.db2.gz KUOUFNOKRFTEJS-INIZCTEOSA-N 1 2 355.438 3.025 40 0 FGABLO Cc1cccc(CO[C@@H]2Cn3nccc3C[N@H+](Cc3cccs3)C2)n1 ZINC000247851605 496921510 /nfs/dbraw/zinc/92/15/10/496921510.db2.gz APTIPASRZPSGCJ-SFHVURJKSA-N 1 2 354.479 3.249 40 0 FGABLO Cc1cccc(CO[C@@H]2Cn3nccc3C[N@@H+](Cc3cccs3)C2)n1 ZINC000247851605 496921515 /nfs/dbraw/zinc/92/15/15/496921515.db2.gz APTIPASRZPSGCJ-SFHVURJKSA-N 1 2 354.479 3.249 40 0 FGABLO Cc1ncsc1C[N@H+]1Cc2cccn2[C@H](COCc2ccncc2)C1 ZINC000248073457 496951205 /nfs/dbraw/zinc/95/12/05/496951205.db2.gz YZKTWQZPDIONJV-SFHVURJKSA-N 1 2 354.479 3.422 40 0 FGABLO Cc1ncsc1C[N@@H+]1Cc2cccn2[C@H](COCc2ccncc2)C1 ZINC000248073457 496951210 /nfs/dbraw/zinc/95/12/10/496951210.db2.gz YZKTWQZPDIONJV-SFHVURJKSA-N 1 2 354.479 3.422 40 0 FGABLO COc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000225452947 497063639 /nfs/dbraw/zinc/06/36/39/497063639.db2.gz GZDMSGTWCHXEEK-UHFFFAOYSA-N 1 2 368.462 3.376 40 0 FGABLO Cc1cnc([C@@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)C2)s1 ZINC000257201257 497389243 /nfs/dbraw/zinc/38/92/43/497389243.db2.gz AGWZOCQDJUPYTK-OAHLLOKOSA-N 1 2 353.451 3.052 40 0 FGABLO O=C(Cn1cc[nH+]c1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257253264 497395608 /nfs/dbraw/zinc/39/56/08/497395608.db2.gz JYESLTRDPICDRY-INIZCTEOSA-N 1 2 368.412 3.007 40 0 FGABLO Cc1cccnc1Nc1cc([C@@H]2CCCN2Cc2[nH+]ccn2C)nc(C)n1 ZINC000257262200 497396786 /nfs/dbraw/zinc/39/67/86/497396786.db2.gz LKOIDMAGOAURPJ-KRWDZBQOSA-N 1 2 363.469 3.303 40 0 FGABLO COc1ccccc1Oc1nccnc1[C@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000257265263 497396945 /nfs/dbraw/zinc/39/69/45/497396945.db2.gz LXXPYWMGJNYWIY-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1ccccc1Oc1nccnc1[C@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000257265263 497396950 /nfs/dbraw/zinc/39/69/50/497396950.db2.gz LXXPYWMGJNYWIY-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1ccccc1Oc1nccnc1[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000257265263 497396953 /nfs/dbraw/zinc/39/69/53/497396953.db2.gz LXXPYWMGJNYWIY-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1ccccc1Oc1nccnc1[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000257265263 497396957 /nfs/dbraw/zinc/39/69/57/497396957.db2.gz LXXPYWMGJNYWIY-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000306131315 498738889 /nfs/dbraw/zinc/73/88/89/498738889.db2.gz KBPUYJRBZLGWRP-FXAWDEMLSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000306131315 498738897 /nfs/dbraw/zinc/73/88/97/498738897.db2.gz KBPUYJRBZLGWRP-FXAWDEMLSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000306133003 498739167 /nfs/dbraw/zinc/73/91/67/498739167.db2.gz LYOOVKVCNJYMBU-PKOBYXMFSA-N 1 2 355.415 3.295 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000306133003 498739170 /nfs/dbraw/zinc/73/91/70/498739170.db2.gz LYOOVKVCNJYMBU-PKOBYXMFSA-N 1 2 355.415 3.295 40 0 FGABLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@@]2(C)CCCc3ccccc32)C1 ZINC000332789930 498792469 /nfs/dbraw/zinc/79/24/69/498792469.db2.gz UABVGGITMZQSOC-LAUBAEHRSA-N 1 2 352.482 3.213 40 0 FGABLO CSc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](C)CO)n1 ZINC000329013119 499014531 /nfs/dbraw/zinc/01/45/31/499014531.db2.gz MOYNWEBVHGZSPI-CQSZACIVSA-N 1 2 366.490 3.246 40 0 FGABLO CC[C@@H](C)Nc1nc(NCc2ccc(F)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329012036 499014863 /nfs/dbraw/zinc/01/48/63/499014863.db2.gz MHMWUKYAOSXTCQ-CQSZACIVSA-N 1 2 351.429 3.344 40 0 FGABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCO)n2)c(Cl)c1 ZINC000329025743 499019180 /nfs/dbraw/zinc/01/91/80/499019180.db2.gz PILXSLODIAFHIM-UHFFFAOYSA-N 1 2 354.841 3.097 40 0 FGABLO O=C(NCC[C@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21)c1ccccc1 ZINC000585112411 507575899 /nfs/dbraw/zinc/57/58/99/507575899.db2.gz PHNVJYTYMCPERK-SFHVURJKSA-N 1 2 366.490 3.322 40 0 FGABLO O=C(NCC[C@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21)c1ccccc1 ZINC000585112411 507575906 /nfs/dbraw/zinc/57/59/06/507575906.db2.gz PHNVJYTYMCPERK-SFHVURJKSA-N 1 2 366.490 3.322 40 0 FGABLO CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020458273 522886849 /nfs/dbraw/zinc/88/68/49/522886849.db2.gz IFLKQLNDTXYWFM-FQEVSTJZSA-N 1 2 365.433 3.355 40 0 FGABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000257307727 527005472 /nfs/dbraw/zinc/00/54/72/527005472.db2.gz SZZOHFDAAPXCAC-INIZCTEOSA-N 1 2 363.469 3.037 40 0 FGABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000257307727 527005479 /nfs/dbraw/zinc/00/54/79/527005479.db2.gz SZZOHFDAAPXCAC-INIZCTEOSA-N 1 2 363.469 3.037 40 0 FGABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](c2nccnc2Nc2cccc(C)n2)C1 ZINC000257330153 210000266 /nfs/dbraw/zinc/00/02/66/210000266.db2.gz XNCVPIPMLAHIAV-INIZCTEOSA-N 1 2 363.469 3.335 40 0 FGABLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](c2nccnc2Nc2cccc(C)n2)C1 ZINC000257330153 210000274 /nfs/dbraw/zinc/00/02/74/210000274.db2.gz XNCVPIPMLAHIAV-INIZCTEOSA-N 1 2 363.469 3.335 40 0 FGABLO Cc1ccc(CN2CCO[C@H]3C[N@H+](Cc4ccc(Cl)c(F)c4)C[C@H]32)o1 ZINC000096248805 209144306 /nfs/dbraw/zinc/14/43/06/209144306.db2.gz XSIHDTFUXXPTPZ-MOPGFXCFSA-N 1 2 364.848 3.466 40 0 FGABLO Cc1ccc(CN2CCO[C@H]3C[N@@H+](Cc4ccc(Cl)c(F)c4)C[C@H]32)o1 ZINC000096248805 209144309 /nfs/dbraw/zinc/14/43/09/209144309.db2.gz XSIHDTFUXXPTPZ-MOPGFXCFSA-N 1 2 364.848 3.466 40 0 FGABLO COc1cccc([C@H](NC(=O)N(C(C)C)C(C)C)c2[nH+]ccn2C)c1OC ZINC000012114968 207338158 /nfs/dbraw/zinc/33/81/58/207338158.db2.gz IMAGIDSYHXJNIW-KRWDZBQOSA-N 1 2 374.485 3.355 40 0 FGABLO O=C(c1ccoc1)N1Cc2[nH+]cn(CC3CC3)c2[C@H](COCC2CC2)C1 ZINC000096045154 209100878 /nfs/dbraw/zinc/10/08/78/209100878.db2.gz PYSRCWDKRQBQHB-KRWDZBQOSA-N 1 2 355.438 3.052 40 0 FGABLO Cc1nc([C@]2(C)CCCN(c3cccc[nH+]3)C2)nc2c1CC(=O)N2C(C)C ZINC000257262051 132296092 /nfs/dbraw/zinc/29/60/92/132296092.db2.gz LJVMSRFKNWUGMM-OAQYLSRUSA-N 1 2 365.481 3.036 40 0 FGABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1OC ZINC000059402994 493906531 /nfs/dbraw/zinc/90/65/31/493906531.db2.gz AKVUKYMBMQKEEW-RMKNXTFCSA-N 1 2 366.461 3.175 40 0 FGABLO Cc1cc([C@H]2CCCN2C(=O)c2ccccc2)c[nH+]c1N1CCOCC1 ZINC000072219348 494145581 /nfs/dbraw/zinc/14/55/81/494145581.db2.gz AYLWTGJSHSWXDO-LJQANCHMSA-N 1 2 351.450 3.204 40 0 FGABLO CCc1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000072350527 494156468 /nfs/dbraw/zinc/15/64/68/494156468.db2.gz HCARHUSXNHTMQI-KRWDZBQOSA-N 1 2 361.449 3.245 40 0 FGABLO COc1cccc(Oc2nccnc2[C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000072362984 494158195 /nfs/dbraw/zinc/15/81/95/494158195.db2.gz VCWQYRVFEHFHDD-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2nccnc2[C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)c1 ZINC000072362984 494158196 /nfs/dbraw/zinc/15/81/96/494158196.db2.gz VCWQYRVFEHFHDD-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2nccnc2[C@@H]2CCCN(Cc3[nH]cc[nH+]3)C2)c1 ZINC000072362984 494158197 /nfs/dbraw/zinc/15/81/97/494158197.db2.gz VCWQYRVFEHFHDD-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO Cc1cc(Nc2ncccc2C)nc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072360085 494158591 /nfs/dbraw/zinc/15/85/91/494158591.db2.gz OOUZEFZUEDCLGS-MRXNPFEDSA-N 1 2 363.469 3.335 40 0 FGABLO Cc1cc(Nc2ncccc2C)nc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072360085 494158594 /nfs/dbraw/zinc/15/85/94/494158594.db2.gz OOUZEFZUEDCLGS-MRXNPFEDSA-N 1 2 363.469 3.335 40 0 FGABLO Cn1cc[nH+]c1CN1CCC[C@H]1c1cncc(Oc2ccccc2F)n1 ZINC000072384205 494162503 /nfs/dbraw/zinc/16/25/03/494162503.db2.gz CHNVFPHAUCVKPU-INIZCTEOSA-N 1 2 353.401 3.479 40 0 FGABLO CO[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000012115012 494205094 /nfs/dbraw/zinc/20/50/94/494205094.db2.gz ZINOMXNHMLBXMR-MSOLQXFVSA-N 1 2 371.387 3.292 40 0 FGABLO Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)CC(C)(C)C)C[N@H+]3C)n2)cc1 ZINC000012529731 494238106 /nfs/dbraw/zinc/23/81/06/494238106.db2.gz ISNBFLGTUFJJER-HOTGVXAUSA-N 1 2 356.470 3.343 40 0 biogenic,in-vitro FGABLO Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)CC(C)(C)C)C[N@@H+]3C)n2)cc1 ZINC000012529731 494238111 /nfs/dbraw/zinc/23/81/11/494238111.db2.gz ISNBFLGTUFJJER-HOTGVXAUSA-N 1 2 356.470 3.343 40 0 biogenic,in-vitro FGABLO CSc1ccccc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014155373 494306851 /nfs/dbraw/zinc/30/68/51/494306851.db2.gz CMTVDXMVFSLUGM-UHFFFAOYSA-N 1 2 370.474 3.095 40 0 FGABLO O=C(NC1CCCCC1)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1ccc(Cl)cc1 ZINC000015676276 494364869 /nfs/dbraw/zinc/36/48/69/494364869.db2.gz VQRBSPSSLSHRJB-IBGZPJMESA-N 1 2 372.900 3.439 40 0 biogenic,in-vitro FGABLO O=C(NC1CCCCC1)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1ccc(Cl)cc1 ZINC000015676276 494364870 /nfs/dbraw/zinc/36/48/70/494364870.db2.gz VQRBSPSSLSHRJB-IBGZPJMESA-N 1 2 372.900 3.439 40 0 biogenic,in-vitro FGABLO Cc1csc2c([C@@H]3CCCN(C(=O)c4cn(C)nc4C)C3)[nH+]c(C)n12 ZINC000019240448 494439588 /nfs/dbraw/zinc/43/95/88/494439588.db2.gz VVZIVILWTFBUAZ-CQSZACIVSA-N 1 2 357.483 3.074 40 0 FGABLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(-c4ccccc4F)cn3)C2)cn1 ZINC000019692430 494454899 /nfs/dbraw/zinc/45/48/99/494454899.db2.gz AIWIBBIRCYLXAP-FQEVSTJZSA-N 1 2 352.413 3.195 40 0 FGABLO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(-c4ccccc4F)cn3)C2)cn1 ZINC000019692430 494454904 /nfs/dbraw/zinc/45/49/04/494454904.db2.gz AIWIBBIRCYLXAP-FQEVSTJZSA-N 1 2 352.413 3.195 40 0 FGABLO COc1cccc(-c2ccc([C@H]3C[N@H+](Cc4cnn(C)c4)CCO3)nc2)c1 ZINC000019692428 494454997 /nfs/dbraw/zinc/45/49/97/494454997.db2.gz MJTFIDZWNITDED-OAQYLSRUSA-N 1 2 364.449 3.064 40 0 FGABLO COc1cccc(-c2ccc([C@H]3C[N@@H+](Cc4cnn(C)c4)CCO3)nc2)c1 ZINC000019692428 494454999 /nfs/dbraw/zinc/45/49/99/494454999.db2.gz MJTFIDZWNITDED-OAQYLSRUSA-N 1 2 364.449 3.064 40 0 FGABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(O)c3)[nH]2)cc1OCC ZINC000095534529 494989147 /nfs/dbraw/zinc/98/91/47/494989147.db2.gz HHDDJVRKWGYMHI-QGZVFWFLSA-N 1 2 354.410 3.023 40 0 FGABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](OCc1cccc(C)n1)CCO2 ZINC000247862136 496922415 /nfs/dbraw/zinc/92/24/15/496922415.db2.gz GKAZXAFYHMWDPS-QGZVFWFLSA-N 1 2 359.495 3.105 40 0 FGABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 ZINC000248113893 496955294 /nfs/dbraw/zinc/95/52/94/496955294.db2.gz ABBQPFUEMIFFMF-IBGZPJMESA-N 1 2 368.477 3.288 40 0 FGABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](OCc1cncc(C)c1)CCO2 ZINC000253602637 497345558 /nfs/dbraw/zinc/34/55/58/497345558.db2.gz DIFXCEVZYDPCBE-QGZVFWFLSA-N 1 2 359.495 3.105 40 0 FGABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+]2Cc2cncn2C)nc(C)n1 ZINC000257236952 497393866 /nfs/dbraw/zinc/39/38/66/497393866.db2.gz HEOAZBPNEUFDMU-SFHVURJKSA-N 1 2 363.469 3.303 40 0 FGABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+]2Cc2cncn2C)nc(C)n1 ZINC000257236952 497393870 /nfs/dbraw/zinc/39/38/70/497393870.db2.gz HEOAZBPNEUFDMU-SFHVURJKSA-N 1 2 363.469 3.303 40 0 FGABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC(C)(c2nccs2)CC1 ZINC000257318824 497402663 /nfs/dbraw/zinc/40/26/63/497402663.db2.gz VPNGYDLCWNSMTJ-UHFFFAOYSA-N 1 2 354.479 3.222 40 0 FGABLO C[N@@H+]1CCC[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c2ccccn21 ZINC000306124878 498737096 /nfs/dbraw/zinc/73/70/96/498737096.db2.gz CBFMWKVQOLLGOH-KRWDZBQOSA-N 1 2 352.413 3.170 40 0 FGABLO C[N@H+]1CCC[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c2ccccn21 ZINC000306124878 498737099 /nfs/dbraw/zinc/73/70/99/498737099.db2.gz CBFMWKVQOLLGOH-KRWDZBQOSA-N 1 2 352.413 3.170 40 0 FGABLO O=C(Cc1ccco1)N1CC[C@@]2(Cc3[nH+]cc(-c4ccc(F)cc4)n3C2)C1 ZINC000306127519 498738282 /nfs/dbraw/zinc/73/82/82/498738282.db2.gz GANOYWBGYSMEQP-OAQYLSRUSA-N 1 2 365.408 3.300 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000306133001 498738830 /nfs/dbraw/zinc/73/88/30/498738830.db2.gz LYOOVKVCNJYMBU-IEBWSBKVSA-N 1 2 355.415 3.295 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000306133001 498738835 /nfs/dbraw/zinc/73/88/35/498738835.db2.gz LYOOVKVCNJYMBU-IEBWSBKVSA-N 1 2 355.415 3.295 40 0 FGABLO CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC2CCCC2)n1 ZINC000328967557 499001561 /nfs/dbraw/zinc/00/15/61/499001561.db2.gz CVGVHICIBLISAW-UHFFFAOYSA-N 1 2 352.360 3.282 40 0 FGABLO FC(F)(F)Oc1ccccc1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000328999275 499010995 /nfs/dbraw/zinc/01/09/95/499010995.db2.gz JVQCJMDGWYIIRJ-UHFFFAOYSA-N 1 2 350.344 3.414 40 0 FGABLO CC(C)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329007211 499013189 /nfs/dbraw/zinc/01/31/89/499013189.db2.gz LIYWEGQNLSGQHI-UHFFFAOYSA-N 1 2 355.392 3.093 40 0 FGABLO c1ccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCCC3)n2)nc1 ZINC000329027320 499018969 /nfs/dbraw/zinc/01/89/69/499018969.db2.gz PRXFDEQNQFTRFL-UHFFFAOYSA-N 1 2 360.465 3.134 40 0 FGABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)cc1C(F)(F)F ZINC000329037545 499022640 /nfs/dbraw/zinc/02/26/40/499022640.db2.gz ROQNVVGIUPVAPU-UHFFFAOYSA-N 1 2 366.387 3.063 40 0 FGABLO Cc1ccsc1C[N@H+]1Cc2ccnn2[C@@H](CCNC(=O)c2ccco2)C1 ZINC000253599505 209947290 /nfs/dbraw/zinc/94/72/90/209947290.db2.gz QRTLQIMZCWHHNH-HNNXBMFYSA-N 1 2 370.478 3.223 40 0 FGABLO Cc1ccsc1C[N@@H+]1Cc2ccnn2[C@@H](CCNC(=O)c2ccco2)C1 ZINC000253599505 209947294 /nfs/dbraw/zinc/94/72/94/209947294.db2.gz QRTLQIMZCWHHNH-HNNXBMFYSA-N 1 2 370.478 3.223 40 0 FGABLO CC(C)n1cnc2c1[C@H](C(=O)NCc1cccs1)[N@H+](CC1CC1)CC2 ZINC000096265027 209147603 /nfs/dbraw/zinc/14/76/03/209147603.db2.gz NEWAUUMTPSVFDD-GOSISDBHSA-N 1 2 358.511 3.151 40 0 FGABLO CC(C)n1cnc2c1[C@H](C(=O)NCc1cccs1)[N@@H+](CC1CC1)CC2 ZINC000096265027 209147605 /nfs/dbraw/zinc/14/76/05/209147605.db2.gz NEWAUUMTPSVFDD-GOSISDBHSA-N 1 2 358.511 3.151 40 0 FGABLO c1cn(-c2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccncc4)n3)cn2)cn1 ZINC000035425773 207157229 /nfs/dbraw/zinc/15/72/29/207157229.db2.gz DIFOHNKBEZUNKU-KRWDZBQOSA-N 1 2 373.420 3.049 40 0 biogenic,in-vitro FGABLO c1cn(-c2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccncc4)n3)cn2)cn1 ZINC000035425773 207157231 /nfs/dbraw/zinc/15/72/31/207157231.db2.gz DIFOHNKBEZUNKU-KRWDZBQOSA-N 1 2 373.420 3.049 40 0 biogenic,in-vitro FGABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2cccc(F)c2)CC1 ZINC000012116339 207339018 /nfs/dbraw/zinc/33/90/18/207339018.db2.gz DMQCZQOGWJZLKD-UHFFFAOYSA-N 1 2 366.440 3.245 40 0 FGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCc2cccs2)C1 ZINC000012116422 207339532 /nfs/dbraw/zinc/33/95/32/207339532.db2.gz UWYAKEIYZNOEBJ-CQSZACIVSA-N 1 2 354.479 3.168 40 0 FGABLO Cc1ccc(CC(=O)N2Cc3ccccc3OC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000012128242 207340630 /nfs/dbraw/zinc/34/06/30/207340630.db2.gz OSUARKIOPDACKG-FQEVSTJZSA-N 1 2 361.445 3.224 40 0 FGABLO COc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000038229595 208200836 /nfs/dbraw/zinc/20/08/36/208200836.db2.gz ZZMIYRIAMFOTPV-UHFFFAOYSA-N 1 2 371.506 3.014 40 0 FGABLO c1csc(C[N@H+]2Cc3nccn3C[C@H](COCc3cccnc3)C2)c1 ZINC000096059138 209105162 /nfs/dbraw/zinc/10/51/62/209105162.db2.gz WBTWTOAYLVIEAH-QGZVFWFLSA-N 1 2 354.479 3.188 40 0 FGABLO c1csc(C[N@@H+]2Cc3nccn3C[C@H](COCc3cccnc3)C2)c1 ZINC000096059138 209105164 /nfs/dbraw/zinc/10/51/64/209105164.db2.gz WBTWTOAYLVIEAH-QGZVFWFLSA-N 1 2 354.479 3.188 40 0 FGABLO c1cn2c(n1)C[N@@H+](Cc1ccsc1)C[C@H](COCc1ccccn1)C2 ZINC000096059159 209104643 /nfs/dbraw/zinc/10/46/43/209104643.db2.gz IKBWSLHLRNVBCH-KRWDZBQOSA-N 1 2 354.479 3.188 40 0 FGABLO c1cn2c(n1)C[N@H+](Cc1ccsc1)C[C@H](COCc1ccccn1)C2 ZINC000096059159 209104642 /nfs/dbraw/zinc/10/46/42/209104642.db2.gz IKBWSLHLRNVBCH-KRWDZBQOSA-N 1 2 354.479 3.188 40 0 FGABLO Cc1ccc(CN2CCn3cc(C[N@H+](C)Cc4ccco4)nc3C2)s1 ZINC000096059527 209104317 /nfs/dbraw/zinc/10/43/17/209104317.db2.gz FMAJPCLNXMMDJU-UHFFFAOYSA-N 1 2 356.495 3.494 40 0 FGABLO Cc1ccc(CN2CCn3cc(C[N@@H+](C)Cc4ccco4)nc3C2)s1 ZINC000096059527 209104320 /nfs/dbraw/zinc/10/43/20/209104320.db2.gz FMAJPCLNXMMDJU-UHFFFAOYSA-N 1 2 356.495 3.494 40 0 FGABLO CCOC[C@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2nn(CC3CC3)cc21 ZINC000096060483 209104039 /nfs/dbraw/zinc/10/40/39/209104039.db2.gz AONWEROYPQRLPQ-GOSISDBHSA-N 1 2 355.482 3.438 40 0 FGABLO CCOC[C@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2nn(CC3CC3)cc21 ZINC000096060483 209104041 /nfs/dbraw/zinc/10/40/41/209104041.db2.gz AONWEROYPQRLPQ-GOSISDBHSA-N 1 2 355.482 3.438 40 0 FGABLO CCc1[nH+]ccn1-c1cncc(C2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000072355387 208836971 /nfs/dbraw/zinc/83/69/71/208836971.db2.gz VHMYRWHSHMCTQD-UHFFFAOYSA-N 1 2 353.470 3.121 40 0 FGABLO Cc1cc(N2CCO[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)nc[nH+]1 ZINC000257315054 132297201 /nfs/dbraw/zinc/29/72/01/132297201.db2.gz UZSOIFJPIKMGFW-KRWDZBQOSA-N 1 2 354.385 3.081 40 0 FGABLO O=C(C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000057681245 493785302 /nfs/dbraw/zinc/78/53/02/493785302.db2.gz VWHOAZUQZCDIRE-UHFFFAOYSA-N 1 2 373.403 3.434 40 0 FGABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(NC3CC3)[nH+]c2)cc1 ZINC000072213788 494144057 /nfs/dbraw/zinc/14/40/57/494144057.db2.gz ORLGTNCNOSAIDN-SFHVURJKSA-N 1 2 357.479 3.490 40 0 FGABLO CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)c2cccnc2)n1 ZINC000072378424 494160893 /nfs/dbraw/zinc/16/08/93/494160893.db2.gz CFEBOCCBOQGZKS-KRWDZBQOSA-N 1 2 362.437 3.158 40 0 FGABLO Cc1ncccc1Oc1cncc([C@H]2CCCN2Cc2[nH+]ccn2C)n1 ZINC000072384200 494161852 /nfs/dbraw/zinc/16/18/52/494161852.db2.gz LPNPTQAGSNQWKH-MRXNPFEDSA-N 1 2 350.426 3.043 40 0 FGABLO CCn1ccnc1C[NH+]1CCC(c2cncc(Oc3cccnc3)n2)CC1 ZINC000072384465 494162011 /nfs/dbraw/zinc/16/20/11/494162011.db2.gz XUVKNJVCFLAKJM-UHFFFAOYSA-N 1 2 364.453 3.260 40 0 FGABLO Cn1c[nH+]cc1CN1CCC[C@@H]1c1cncc(Oc2ccc(F)cc2)n1 ZINC000072384449 494162428 /nfs/dbraw/zinc/16/24/28/494162428.db2.gz FVSXKTSKYYJUGW-GOSISDBHSA-N 1 2 353.401 3.479 40 0 FGABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000012666164 494249760 /nfs/dbraw/zinc/24/97/60/494249760.db2.gz DLDUZCYMIRYXMQ-UHFFFAOYSA-N 1 2 352.825 3.044 40 0 FGABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000012666164 494249764 /nfs/dbraw/zinc/24/97/64/494249764.db2.gz DLDUZCYMIRYXMQ-UHFFFAOYSA-N 1 2 352.825 3.044 40 0 FGABLO COc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000014325190 494314654 /nfs/dbraw/zinc/31/46/54/494314654.db2.gz CQPPIVLHMGFIKA-UHFFFAOYSA-N 1 2 352.434 3.229 40 0 FGABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000019293429 494440968 /nfs/dbraw/zinc/44/09/68/494440968.db2.gz LYSXKWFVCKHPQK-UHFFFAOYSA-N 1 2 352.825 3.044 40 0 FGABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@H+](Cc1cccc(Cl)c1)C2 ZINC000019293429 494440970 /nfs/dbraw/zinc/44/09/70/494440970.db2.gz LYSXKWFVCKHPQK-UHFFFAOYSA-N 1 2 352.825 3.044 40 0 FGABLO c1cc(-c2cnc(NCC[NH+]3CCOCC3)nc2-c2cccnc2)cs1 ZINC000019340182 494442203 /nfs/dbraw/zinc/44/22/03/494442203.db2.gz LPOPQVUOBRQZJF-UHFFFAOYSA-N 1 2 367.478 3.011 40 0 FGABLO CCN(CC)c1cc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)nc[nH+]1 ZINC000079440075 494454698 /nfs/dbraw/zinc/45/46/98/494454698.db2.gz GYJAPOKOKQJUFZ-UHFFFAOYSA-N 1 2 363.506 3.159 40 0 FGABLO CCN(CC)c1cc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)[nH+]cn1 ZINC000079440075 494454702 /nfs/dbraw/zinc/45/47/02/494454702.db2.gz GYJAPOKOKQJUFZ-UHFFFAOYSA-N 1 2 363.506 3.159 40 0 FGABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(OC)c3)[nH]2)cc1OCC ZINC000095534523 494989504 /nfs/dbraw/zinc/98/95/04/494989504.db2.gz FITNXDZJWDJNKZ-GOSISDBHSA-N 1 2 368.437 3.326 40 0 FGABLO Cc1csc(C[NH+]2CC3(C2)C[C@@H](Oc2ncccc2F)CS3)n1 ZINC000247966851 496934812 /nfs/dbraw/zinc/93/48/12/496934812.db2.gz QSKZCUGMNPMNIJ-GFCCVEGCSA-N 1 2 351.472 3.125 40 0 FGABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 ZINC000248035740 496945042 /nfs/dbraw/zinc/94/50/42/496945042.db2.gz NCGOMTNOSKNURJ-INIZCTEOSA-N 1 2 359.495 3.044 40 0 FGABLO CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000224106978 497047835 /nfs/dbraw/zinc/04/78/35/497047835.db2.gz DJDIZABKZRBTKC-UHFFFAOYSA-N 1 2 373.416 3.254 40 0 FGABLO CNc1cccc([C@@H]2C[N@H+](Cc3cc4cc(OC)ccc4[nH]3)CCO2)n1 ZINC000257202323 497388753 /nfs/dbraw/zinc/38/87/53/497388753.db2.gz ALHCBZOXODNTSO-IBGZPJMESA-N 1 2 352.438 3.187 40 0 FGABLO CNc1cccc([C@@H]2C[N@@H+](Cc3cc4cc(OC)ccc4[nH]3)CCO2)n1 ZINC000257202323 497388761 /nfs/dbraw/zinc/38/87/61/497388761.db2.gz ALHCBZOXODNTSO-IBGZPJMESA-N 1 2 352.438 3.187 40 0 FGABLO Cc1nc(Nc2nccs2)cc([C@@H]2CCCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257208420 497390231 /nfs/dbraw/zinc/39/02/31/497390231.db2.gz BMCHIIMWUYBJEK-INIZCTEOSA-N 1 2 369.498 3.446 40 0 FGABLO Cc1nc(Nc2nccs2)cc([C@@H]2CCCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257208420 497390236 /nfs/dbraw/zinc/39/02/36/497390236.db2.gz BMCHIIMWUYBJEK-INIZCTEOSA-N 1 2 369.498 3.446 40 0 FGABLO Cc1ccc(NC(=O)c2cccc([C@@H]3CCC[N@@H+]3Cc3cc[nH]n3)n2)nc1 ZINC000257218903 497392495 /nfs/dbraw/zinc/39/24/95/497392495.db2.gz DEUSVPXFAANOMV-SFHVURJKSA-N 1 2 362.437 3.098 40 0 FGABLO Cc1ccc(NC(=O)c2cccc([C@@H]3CCC[N@H+]3Cc3cc[nH]n3)n2)nc1 ZINC000257218903 497392498 /nfs/dbraw/zinc/39/24/98/497392498.db2.gz DEUSVPXFAANOMV-SFHVURJKSA-N 1 2 362.437 3.098 40 0 FGABLO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OC1CCCC1 ZINC000257233128 497393739 /nfs/dbraw/zinc/39/37/39/497393739.db2.gz GNXZROBVBGTFAC-QFIPXVFZSA-N 1 2 365.477 3.380 40 0 FGABLO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OC1CCCC1 ZINC000257233128 497393743 /nfs/dbraw/zinc/39/37/43/497393743.db2.gz GNXZROBVBGTFAC-QFIPXVFZSA-N 1 2 365.477 3.380 40 0 FGABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+]2Cc2cncn2C)nc(C)n1 ZINC000257236951 497393841 /nfs/dbraw/zinc/39/38/41/497393841.db2.gz HEOAZBPNEUFDMU-GOSISDBHSA-N 1 2 363.469 3.303 40 0 FGABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+]2Cc2cncn2C)nc(C)n1 ZINC000257236951 497393847 /nfs/dbraw/zinc/39/38/47/497393847.db2.gz HEOAZBPNEUFDMU-GOSISDBHSA-N 1 2 363.469 3.303 40 0 FGABLO CNc1[nH+]c(C2(C)CCN(C(=O)c3cccnc3)CC2)c2sccn12 ZINC000257301079 497400808 /nfs/dbraw/zinc/40/08/08/497400808.db2.gz RWXBHICKBWXYOU-UHFFFAOYSA-N 1 2 355.467 3.026 40 0 FGABLO O=C(c1cc2ccccc2o1)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306134227 498741548 /nfs/dbraw/zinc/74/15/48/498741548.db2.gz NGFBZWQYJKWTJE-FRQCXROJSA-N 1 2 363.417 3.027 40 0 FGABLO CC(C)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2cccnc2)[nH+]1 ZINC000328968434 499001281 /nfs/dbraw/zinc/00/12/81/499001281.db2.gz CZEVXVBCBIEJNW-UHFFFAOYSA-N 1 2 353.857 3.468 40 0 FGABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1OC ZINC000329072262 499032968 /nfs/dbraw/zinc/03/29/68/499032968.db2.gz ZWRKFSUHNIJBGY-UHFFFAOYSA-N 1 2 354.454 3.313 40 0 FGABLO Cc1cccc(C[N@H+]2Cc3ccnn3[C@H](CCNC(=O)c3ccco3)C2)c1 ZINC000585111981 507576693 /nfs/dbraw/zinc/57/66/93/507576693.db2.gz GLEAJSGEDCZRNV-GOSISDBHSA-N 1 2 364.449 3.162 40 0 FGABLO Cc1cccc(C[N@@H+]2Cc3ccnn3[C@H](CCNC(=O)c3ccco3)C2)c1 ZINC000585111981 507576701 /nfs/dbraw/zinc/57/67/01/507576701.db2.gz GLEAJSGEDCZRNV-GOSISDBHSA-N 1 2 364.449 3.162 40 0 FGABLO Cc1ccccc1C[N@H+]1CCc2oc(C(=O)N3CCC[C@H](C)C3)nc2C1 ZINC000585113038 507577168 /nfs/dbraw/zinc/57/71/68/507577168.db2.gz XQSTYNRTZPBMTO-HNNXBMFYSA-N 1 2 353.466 3.413 40 0 FGABLO Cc1ccccc1C[N@@H+]1CCc2oc(C(=O)N3CCC[C@H](C)C3)nc2C1 ZINC000585113038 507577173 /nfs/dbraw/zinc/57/71/73/507577173.db2.gz XQSTYNRTZPBMTO-HNNXBMFYSA-N 1 2 353.466 3.413 40 0 FGABLO O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020459921 527190950 /nfs/dbraw/zinc/19/09/50/527190950.db2.gz ATHBQWHGDBAANU-UHFFFAOYSA-N 1 2 361.854 3.145 40 0 FGABLO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]21 ZINC000514288710 560034163 /nfs/dbraw/zinc/03/41/63/560034163.db2.gz WTIWPCBVZDEXNL-AEFFLSMTSA-N 1 2 360.816 3.197 40 0 biogenic,in-vitro FGABLO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]21 ZINC000514288710 560034164 /nfs/dbraw/zinc/03/41/64/560034164.db2.gz WTIWPCBVZDEXNL-AEFFLSMTSA-N 1 2 360.816 3.197 40 0 biogenic,in-vitro FGABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N2CCCCC2)cc1 ZINC000001346360 209388991 /nfs/dbraw/zinc/38/89/91/209388991.db2.gz HMUXOAVHLWTRGM-UHFFFAOYSA-N 1 2 367.478 3.229 40 0 FGABLO O=C(c1cscn1)N1C[C@H]2[C@H](C[N@H+]2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000096244896 209144721 /nfs/dbraw/zinc/14/47/21/209144721.db2.gz FPRCCZOJQJKXHB-DOMZBBRYSA-N 1 2 367.396 3.118 40 0 FGABLO O=C(c1cscn1)N1C[C@H]2[C@H](C[N@@H+]2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000096244896 209144723 /nfs/dbraw/zinc/14/47/23/209144723.db2.gz FPRCCZOJQJKXHB-DOMZBBRYSA-N 1 2 367.396 3.118 40 0 FGABLO Cc1cc(NC(=O)[C@H]2C[C@@]3(CO2)CN(C(C)C)c2ccccc23)cc[nH+]1 ZINC000096262831 209147121 /nfs/dbraw/zinc/14/71/21/209147121.db2.gz RZEYSHSJRQAHPC-CTNGQTDRSA-N 1 2 351.450 3.284 40 0 FGABLO O=C(Cc1cccc(F)c1)N1Cc2ccccc2OC[C@H]1Cn1cc[nH+]c1 ZINC000012128282 207340577 /nfs/dbraw/zinc/34/05/77/207340577.db2.gz OXRMSSLWJRNUSX-LJQANCHMSA-N 1 2 365.408 3.055 40 0 FGABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](Cc4ccccc4OC)C3)[nH]n2c1=O ZINC000012276407 207352656 /nfs/dbraw/zinc/35/26/56/207352656.db2.gz RFYPVCZSNDIYNF-OAHLLOKOSA-N 1 2 366.465 3.304 40 0 FGABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4ccccc4OC)C3)[nH]n2c1=O ZINC000012276407 207352660 /nfs/dbraw/zinc/35/26/60/207352660.db2.gz RFYPVCZSNDIYNF-OAHLLOKOSA-N 1 2 366.465 3.304 40 0 FGABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](Cc4cccc(F)c4)C3)[nH]n2c1=O ZINC000012276397 207353136 /nfs/dbraw/zinc/35/31/36/207353136.db2.gz WZRPOCSSQXKNEB-OAHLLOKOSA-N 1 2 354.429 3.434 40 0 FGABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4cccc(F)c4)C3)[nH]n2c1=O ZINC000012276397 207353142 /nfs/dbraw/zinc/35/31/42/207353142.db2.gz WZRPOCSSQXKNEB-OAHLLOKOSA-N 1 2 354.429 3.434 40 0 FGABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](Cc4ccc(OC)cc4)C3)[nH]n2c1=O ZINC000012276391 207353931 /nfs/dbraw/zinc/35/39/31/207353931.db2.gz XWEIEZKZHUQDRS-INIZCTEOSA-N 1 2 366.465 3.304 40 0 FGABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4ccc(OC)cc4)C3)[nH]n2c1=O ZINC000012276391 207353937 /nfs/dbraw/zinc/35/39/37/207353937.db2.gz XWEIEZKZHUQDRS-INIZCTEOSA-N 1 2 366.465 3.304 40 0 FGABLO C[N@H+](Cc1cn2c(n1)CN(Cc1ccc(F)cc1)CC2)Cc1cccnc1 ZINC000096059547 209104171 /nfs/dbraw/zinc/10/41/71/209104171.db2.gz NQFDUIIKSNBEFI-UHFFFAOYSA-N 1 2 365.456 3.065 40 0 FGABLO C[N@@H+](Cc1cn2c(n1)CN(Cc1ccc(F)cc1)CC2)Cc1cccnc1 ZINC000096059547 209104175 /nfs/dbraw/zinc/10/41/75/209104175.db2.gz NQFDUIIKSNBEFI-UHFFFAOYSA-N 1 2 365.456 3.065 40 0 FGABLO CC(C)[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669718 136129818 /nfs/dbraw/zinc/12/98/18/136129818.db2.gz CAZMEVLVIPXLKJ-KRWDZBQOSA-N 1 2 360.481 3.087 40 0 FGABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](c3nnnn3C(C)C)C(C)C)CC2)c1 ZINC000057670155 136129910 /nfs/dbraw/zinc/12/99/10/136129910.db2.gz AUADPOFPFIIDHN-LJQANCHMSA-N 1 2 356.518 3.390 40 0 FGABLO C[C@@H]1CCC[N@@H+]([C@@H](c2nnnn2CCc2ccccc2)c2ccncc2)C1 ZINC000001333161 493792422 /nfs/dbraw/zinc/79/24/22/493792422.db2.gz BOVVBDPYSPKODZ-YLJYHZDGSA-N 1 2 362.481 3.132 40 0 FGABLO C[C@@H]1CCC[N@H+]([C@@H](c2nnnn2CCc2ccccc2)c2ccncc2)C1 ZINC000001333161 493792426 /nfs/dbraw/zinc/79/24/26/493792426.db2.gz BOVVBDPYSPKODZ-YLJYHZDGSA-N 1 2 362.481 3.132 40 0 FGABLO Cc1cc(N2CC[NH+](C)CC2)nc(S[C@@H]2C(=O)[C@H]3CC[C@]2(C)C3(C)C)n1 ZINC000005926578 493946425 /nfs/dbraw/zinc/94/64/25/493946425.db2.gz QIOBIXVYHGTPNN-ZTQAJYAQSA-N 1 2 374.554 3.023 40 0 FGABLO Cc1cc(Nc2ncccc2C)nc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072360086 494158779 /nfs/dbraw/zinc/15/87/79/494158779.db2.gz OOUZEFZUEDCLGS-INIZCTEOSA-N 1 2 363.469 3.335 40 0 FGABLO Cc1cc(Nc2ncccc2C)nc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072360086 494158783 /nfs/dbraw/zinc/15/87/83/494158783.db2.gz OOUZEFZUEDCLGS-INIZCTEOSA-N 1 2 363.469 3.335 40 0 FGABLO COc1ccccc1Oc1cncc([C@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000072384357 494162103 /nfs/dbraw/zinc/16/21/03/494162103.db2.gz VPVWGORFLHDDQH-OAHLLOKOSA-N 1 2 351.410 3.338 40 0 FGABLO COc1ccc(-c2nc(N3C[C@H](C)O[C@@H](C)C3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012221185 494215082 /nfs/dbraw/zinc/21/50/82/494215082.db2.gz ONXFMJMBSLBYDH-KBPBESRZSA-N 1 2 365.437 3.156 40 0 FGABLO CC(C)c1nc2c(c(N3CCOCC3)n1)CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000019453695 494445366 /nfs/dbraw/zinc/44/53/66/494445366.db2.gz UVLVPJNNPCYESO-UHFFFAOYSA-N 1 2 370.472 3.134 40 0 FGABLO CC(C)c1nc2c(c(N3CCOCC3)n1)CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000019453695 494445369 /nfs/dbraw/zinc/44/53/69/494445369.db2.gz UVLVPJNNPCYESO-UHFFFAOYSA-N 1 2 370.472 3.134 40 0 FGABLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2csnn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180754578 496132781 /nfs/dbraw/zinc/13/27/81/496132781.db2.gz PSZNBZSLOBLNKO-ZFWWWQNUSA-N 1 2 368.865 3.284 40 0 FGABLO CC(C)[N@H+]1CC[C@H](NC(=O)c2csnn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180754578 496132784 /nfs/dbraw/zinc/13/27/84/496132784.db2.gz PSZNBZSLOBLNKO-ZFWWWQNUSA-N 1 2 368.865 3.284 40 0 FGABLO Cc1csc(C[NH+]2CC3(C2)C[C@@H](OCc2cccc(C)n2)CS3)n1 ZINC000247872120 496922756 /nfs/dbraw/zinc/92/27/56/496922756.db2.gz LSCKYXFHMMALED-MRXNPFEDSA-N 1 2 361.536 3.432 40 0 FGABLO COc1ncccc1CN1Cc2c[nH+]cn2[C@@H](COCC2CCCC2)C1 ZINC000247904108 496927088 /nfs/dbraw/zinc/92/70/88/496927088.db2.gz WSGPHPQLRULAOQ-LJQANCHMSA-N 1 2 356.470 3.050 40 0 FGABLO Cc1[nH+]cc(-c2cncc([C@@H]3CCCN(C(=O)c4cccs4)C3)n2)n1C ZINC000257203725 497390174 /nfs/dbraw/zinc/39/01/74/497390174.db2.gz ARJBEEFPCVBMIF-CQSZACIVSA-N 1 2 367.478 3.267 40 0 FGABLO O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257219027 497392009 /nfs/dbraw/zinc/39/20/09/497392009.db2.gz DFICFHRBOVMSDX-SFHVURJKSA-N 1 2 368.412 3.355 40 0 FGABLO Cc1[nH+]cc(-c2nccnc2C2CCN(C(=O)c3cccs3)CC2)n1C ZINC000257238554 497393704 /nfs/dbraw/zinc/39/37/04/497393704.db2.gz HLOKISQFPCURKX-UHFFFAOYSA-N 1 2 367.478 3.267 40 0 FGABLO O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257321434 497403617 /nfs/dbraw/zinc/40/36/17/497403617.db2.gz WBRHOFZWXSIFJC-SFHVURJKSA-N 1 2 368.412 3.355 40 0 FGABLO O=C(c1ccc(F)cc1)N1C[C@H]2CCn3c(-c4ccncc4)c[nH+]c3[C@@H]2C1 ZINC000306131563 498738873 /nfs/dbraw/zinc/73/88/73/498738873.db2.gz KIQJDGRSALCNIV-SJLPKXTDSA-N 1 2 362.408 3.344 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000306141071 498740546 /nfs/dbraw/zinc/74/05/46/498740546.db2.gz VKQKSDYFCWNRAK-PXNSSMCTSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000306141071 498740550 /nfs/dbraw/zinc/74/05/50/498740550.db2.gz VKQKSDYFCWNRAK-PXNSSMCTSA-N 1 2 366.442 3.097 40 0 FGABLO C[C@H](CO)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328963890 499000263 /nfs/dbraw/zinc/00/02/63/499000263.db2.gz BSJOXIJZRVTEGZ-GFCCVEGCSA-N 1 2 372.831 3.316 40 0 FGABLO CC(C)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000328962429 499000544 /nfs/dbraw/zinc/00/05/44/499000544.db2.gz BHVAGPZIPYIMSE-UHFFFAOYSA-N 1 2 355.392 3.093 40 0 FGABLO OCCCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000328968096 499001588 /nfs/dbraw/zinc/00/15/88/499001588.db2.gz CXWITHXFDXUTMM-UHFFFAOYSA-N 1 2 352.360 3.333 40 0 FGABLO OCCCNc1nc(Nc2cc(Cl)ccc2Cl)cc(C2CC2)[nH+]1 ZINC000328990936 499009112 /nfs/dbraw/zinc/00/91/12/499009112.db2.gz IQLCNTABECCUJS-UHFFFAOYSA-N 1 2 353.253 3.043 40 0 FGABLO c1ccc(CCNc2cc(-c3ccncc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329001331 499011555 /nfs/dbraw/zinc/01/15/55/499011555.db2.gz KDGHWBXJPIXXMH-UHFFFAOYSA-N 1 2 359.477 3.392 40 0 FGABLO COc1ccccc1C[NH+]1CC2(C1)C[C@@H](OCc1cccc(C)n1)CCO2 ZINC000585105233 507572875 /nfs/dbraw/zinc/57/28/75/507572875.db2.gz RBNVOAJBZGQJNE-FQEVSTJZSA-N 1 2 368.477 3.349 40 0 FGABLO CCOc1ccc([C@@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000020461720 521222486 /nfs/dbraw/zinc/22/24/86/521222486.db2.gz USYXDIBWWHBTQU-QGZVFWFLSA-N 1 2 368.477 3.409 40 0 FGABLO CC[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(OC)cc1 ZINC000020050445 522531676 /nfs/dbraw/zinc/53/16/76/522531676.db2.gz RJJZONYNBFBDGV-NRFANRHFSA-N 1 2 368.477 3.409 40 0 FGABLO CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020040749 523041545 /nfs/dbraw/zinc/04/15/45/523041545.db2.gz IPNNDCVQPODWEW-HXUWFJFHSA-N 1 2 365.433 3.355 40 0 FGABLO CCOC(=O)c1ccc(NC(=O)C[NH+]2Cc3cc(C)c(C)cc3C2)cc1 ZINC000409198863 570737714 /nfs/dbraw/zinc/73/77/14/570737714.db2.gz GAXAWKXHSCIMRT-UHFFFAOYSA-N 1 2 352.434 3.434 40 0 FGABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCCC[N@H+]2Cc2ccnn2C)n1 ZINC000257338244 210002101 /nfs/dbraw/zinc/00/21/01/210002101.db2.gz YWPFNYDLDCLUHY-SFHVURJKSA-N 1 2 363.469 3.384 40 0 FGABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCCC[N@@H+]2Cc2ccnn2C)n1 ZINC000257338244 210002103 /nfs/dbraw/zinc/00/21/03/210002103.db2.gz YWPFNYDLDCLUHY-SFHVURJKSA-N 1 2 363.469 3.384 40 0 FGABLO Fc1ccc(C[N@@H+]2CC[C@@H](c3ccnc(Nc4ncccn4)n3)C2)cc1 ZINC000257343495 210004021 /nfs/dbraw/zinc/00/40/21/210004021.db2.gz ZTGHZZQLINVSLE-OAHLLOKOSA-N 1 2 350.401 3.139 40 0 FGABLO Fc1ccc(C[N@H+]2CC[C@@H](c3ccnc(Nc4ncccn4)n3)C2)cc1 ZINC000257343495 210004025 /nfs/dbraw/zinc/00/40/25/210004025.db2.gz ZTGHZZQLINVSLE-OAHLLOKOSA-N 1 2 350.401 3.139 40 0 FGABLO COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000013108532 220057979 /nfs/dbraw/zinc/05/79/79/220057979.db2.gz IECASOUGWYKLAU-TWOQFEAHSA-N 1 2 354.450 3.484 40 0 FGABLO CN(C)c1cc([C@H]2c3ccccc3CCCN2C(=O)[C@@H]2CCOC2)cc[nH+]1 ZINC000096087142 209109956 /nfs/dbraw/zinc/10/99/56/209109956.db2.gz RFCXIUNISPGZOO-NQIIRXRSSA-N 1 2 365.477 3.048 40 0 FGABLO O=C1CCC(=O)N1CCC1=[NH+]CCc2cc(OCc3ccccc3)ccc21 ZINC000005120948 207081181 /nfs/dbraw/zinc/08/11/81/207081181.db2.gz YTMGRLAEMQTHMB-UHFFFAOYSA-N 1 2 362.429 3.150 40 0 FGABLO COc1cc(CN(Cc2ccco2)Cc2c[nH+]cn2C)cc(OC)c1OC ZINC000012147071 207343990 /nfs/dbraw/zinc/34/39/90/207343990.db2.gz GGJVOSPESVNITE-UHFFFAOYSA-N 1 2 371.437 3.241 40 0 FGABLO Cc1cccc(CC(=O)N2Cc3ccccc3OC[C@H]2Cn2cc[nH+]c2)c1 ZINC000012128270 207340421 /nfs/dbraw/zinc/34/04/21/207340421.db2.gz ASEQMSSEIHYRPY-HXUWFJFHSA-N 1 2 361.445 3.224 40 0 FGABLO Cc1nc(C)c(C(=O)N2Cc3ccccc3OC[C@H]2Cn2cc[nH+]c2)s1 ZINC000012128319 207340444 /nfs/dbraw/zinc/34/04/44/207340444.db2.gz XXZGVVOQMNXYAI-MRXNPFEDSA-N 1 2 368.462 3.060 40 0 FGABLO CCCCOc1ccc(OCC[NH+]2CCN(C(=O)OCC)CC2)cc1 ZINC000031923352 208020647 /nfs/dbraw/zinc/02/06/47/208020647.db2.gz INTRDZLEJMDYSO-UHFFFAOYSA-N 1 2 350.459 3.018 40 0 FGABLO Cc1ccc2c(c1)C1(CN2C(=O)N(C)C)CCN(c2cccc[nH+]2)CC1 ZINC000096063562 132218080 /nfs/dbraw/zinc/21/80/80/132218080.db2.gz KXZSSIGPPCLLEY-UHFFFAOYSA-N 1 2 350.466 3.430 40 0 FGABLO Cc1ccc(NC(=O)CCc2[nH+]c(N)nc(N)c2-c2ccccc2)cc1C ZINC000001618421 493797115 /nfs/dbraw/zinc/79/71/15/493797115.db2.gz JJQYQARPYTWDPS-UHFFFAOYSA-N 1 2 361.449 3.496 40 0 FGABLO Cc1cc(N2CC[NH+](C)CC2)nc(S[C@H]2C(=O)[C@H]3CC[C@]2(C)C3(C)C)n1 ZINC000005926588 493946241 /nfs/dbraw/zinc/94/62/41/493946241.db2.gz QIOBIXVYHGTPNN-LIVBEALHSA-N 1 2 374.554 3.023 40 0 FGABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc[nH+]c2NC2CC2)cc1 ZINC000072213728 494144628 /nfs/dbraw/zinc/14/46/28/494144628.db2.gz OFSTWALHPCZHNP-SFHVURJKSA-N 1 2 357.479 3.490 40 0 FGABLO O=c1[nH]c(-c2ccncc2)nc2c1C[N@H+](Cc1cc(F)ccc1F)CC2 ZINC000072339817 494153741 /nfs/dbraw/zinc/15/37/41/494153741.db2.gz CVVLQKDOVPIISY-UHFFFAOYSA-N 1 2 354.360 3.081 40 0 FGABLO O=c1[nH]c(-c2ccncc2)nc2c1C[N@@H+](Cc1cc(F)ccc1F)CC2 ZINC000072339817 494153743 /nfs/dbraw/zinc/15/37/43/494153743.db2.gz CVVLQKDOVPIISY-UHFFFAOYSA-N 1 2 354.360 3.081 40 0 FGABLO CCc1nnc(Nc2cc([C@H]3CCC[N@@H+]3C3CCOCC3)nc(C)n2)s1 ZINC000072360372 494158874 /nfs/dbraw/zinc/15/88/74/494158874.db2.gz FQBQMBDOLVFWED-OAHLLOKOSA-N 1 2 374.514 3.258 40 0 FGABLO CCc1nnc(Nc2cc([C@H]3CCC[N@H+]3C3CCOCC3)nc(C)n2)s1 ZINC000072360372 494158878 /nfs/dbraw/zinc/15/88/78/494158878.db2.gz FQBQMBDOLVFWED-OAHLLOKOSA-N 1 2 374.514 3.258 40 0 FGABLO Cc1nnc(Nc2cccc([C@H]3CCC[N@H+](Cc4ncc[nH]4)C3)n2)s1 ZINC000072376078 494159613 /nfs/dbraw/zinc/15/96/13/494159613.db2.gz DFCXRHRYHBCRAE-ZDUSSCGKSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1nnc(Nc2cccc([C@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)n2)s1 ZINC000072376078 494159615 /nfs/dbraw/zinc/15/96/15/494159615.db2.gz DFCXRHRYHBCRAE-ZDUSSCGKSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1nnc(Nc2cccc([C@@H]3CCC[N@H+](Cc4ncc[nH]4)C3)n2)s1 ZINC000072376077 494159726 /nfs/dbraw/zinc/15/97/26/494159726.db2.gz DFCXRHRYHBCRAE-CYBMUJFWSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1nnc(Nc2cccc([C@@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)n2)s1 ZINC000072376077 494159732 /nfs/dbraw/zinc/15/97/32/494159732.db2.gz DFCXRHRYHBCRAE-CYBMUJFWSA-N 1 2 355.471 3.088 40 0 FGABLO C=Cn1cc(C[N@H+](Cc2ccc(OC)cc2OC)C[C@H]2CCCO2)c(C)n1 ZINC000012187218 494211356 /nfs/dbraw/zinc/21/13/56/494211356.db2.gz UJUYXCAPIDZPAI-HXUWFJFHSA-N 1 2 371.481 3.490 40 0 FGABLO C=Cn1cc(C[N@@H+](Cc2ccc(OC)cc2OC)C[C@H]2CCCO2)c(C)n1 ZINC000012187218 494211359 /nfs/dbraw/zinc/21/13/59/494211359.db2.gz UJUYXCAPIDZPAI-HXUWFJFHSA-N 1 2 371.481 3.490 40 0 FGABLO Cc1nc2c(C)cccn2c1C(=O)NCCc1[nH]c2cc(C)c(C)cc2[nH+]1 ZINC000019716786 494457395 /nfs/dbraw/zinc/45/73/95/494457395.db2.gz PXEHAVPOTGUENM-UHFFFAOYSA-N 1 2 361.449 3.417 40 0 FGABLO CC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)[NH+]1CCSCC1 ZINC000020098481 494466510 /nfs/dbraw/zinc/46/65/10/494466510.db2.gz NCRSITDRLINBPG-QGZVFWFLSA-N 1 2 368.510 3.115 40 0 FGABLO Fc1cccnc1OCC[C@H]1CCOC2(C[NH+](Cc3ccccn3)C2)C1 ZINC000247519631 496879077 /nfs/dbraw/zinc/87/90/77/496879077.db2.gz KZTHGQGNMILVFF-INIZCTEOSA-N 1 2 357.429 3.066 40 0 FGABLO COc1cccc(Oc2nccnc2[C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)c1 ZINC000257240021 497393188 /nfs/dbraw/zinc/39/31/88/497393188.db2.gz HRSPKBAQIBVRSZ-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2nccnc2[C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)c1 ZINC000257240021 497393193 /nfs/dbraw/zinc/39/31/93/497393193.db2.gz HRSPKBAQIBVRSZ-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2nccnc2[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000257240021 497393201 /nfs/dbraw/zinc/39/32/01/497393201.db2.gz HRSPKBAQIBVRSZ-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2nccnc2[C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)c1 ZINC000257240021 497393205 /nfs/dbraw/zinc/39/32/05/497393205.db2.gz HRSPKBAQIBVRSZ-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO CC(C)c1ccc(C(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)c(=O)[nH]1 ZINC000257229981 497393963 /nfs/dbraw/zinc/39/39/63/497393963.db2.gz GAFAYJBIMMBWIQ-KRWDZBQOSA-N 1 2 354.454 3.349 40 0 FGABLO Cc1[nH+]cc(-c2cncc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)n1C ZINC000257261731 497396594 /nfs/dbraw/zinc/39/65/94/497396594.db2.gz LIOLZFFTNKIJKD-QGZVFWFLSA-N 1 2 361.449 3.205 40 0 FGABLO CNc1cc([C@@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)cc[nH+]1 ZINC000257322762 497403642 /nfs/dbraw/zinc/40/36/42/497403642.db2.gz WHIBFGPMLOUZOH-KRWDZBQOSA-N 1 2 352.438 3.080 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000306136757 498741171 /nfs/dbraw/zinc/74/11/71/498741171.db2.gz QCPMOKFQRUVQRI-QUCCMNQESA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000306136757 498741176 /nfs/dbraw/zinc/74/11/76/498741176.db2.gz QCPMOKFQRUVQRI-QUCCMNQESA-N 1 2 366.442 3.097 40 0 FGABLO c1cc2n(n1)[C@@H](COc1cccnc1)C[N@H+](Cc1cccc3[nH]ccc31)C2 ZINC000306141570 498742606 /nfs/dbraw/zinc/74/26/06/498742606.db2.gz WASPGJBJQQJAQM-GOSISDBHSA-N 1 2 359.433 3.395 40 0 FGABLO c1cc2n(n1)[C@@H](COc1cccnc1)C[N@@H+](Cc1cccc3[nH]ccc31)C2 ZINC000306141570 498742612 /nfs/dbraw/zinc/74/26/12/498742612.db2.gz WASPGJBJQQJAQM-GOSISDBHSA-N 1 2 359.433 3.395 40 0 FGABLO CC(C)[C@@H](CO)Nc1nc(NCc2cccs2)cc(-c2cccnc2)[nH+]1 ZINC000328976110 499004389 /nfs/dbraw/zinc/00/43/89/499004389.db2.gz FNHVCUYYAUKMJL-QGZVFWFLSA-N 1 2 369.494 3.063 40 0 FGABLO Clc1cccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CC3)n2)c1 ZINC000329032868 499021413 /nfs/dbraw/zinc/02/14/13/499021413.db2.gz QQOJEDSVUZEQSI-UHFFFAOYSA-N 1 2 351.841 3.222 40 0 FGABLO OCCCNc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329047821 499025789 /nfs/dbraw/zinc/02/57/89/499025789.db2.gz UHQWJLLSDNZQBI-UHFFFAOYSA-N 1 2 372.831 3.318 40 0 FGABLO COC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CC[N@H+](C)C2 ZINC000408562621 499592144 /nfs/dbraw/zinc/59/21/44/499592144.db2.gz DIDHWKCTAHMXPA-VMPITWQZSA-N 1 2 374.437 3.314 40 0 FGABLO COC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408562621 499592145 /nfs/dbraw/zinc/59/21/45/499592145.db2.gz DIDHWKCTAHMXPA-VMPITWQZSA-N 1 2 374.437 3.314 40 0 FGABLO COC(=O)[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)[N@H+]2Cc1ccccc1 ZINC000265540690 210007454 /nfs/dbraw/zinc/00/74/54/210007454.db2.gz OTUXGBRTXLYMPK-BCDXTJNWSA-N 1 2 374.481 3.060 40 0 FGABLO COC(=O)[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)[N@@H+]2Cc1ccccc1 ZINC000265540690 210007457 /nfs/dbraw/zinc/00/74/57/210007457.db2.gz OTUXGBRTXLYMPK-BCDXTJNWSA-N 1 2 374.481 3.060 40 0 FGABLO CCCn1c2ccccc2[nH+]c1N1CCN(C(=O)N2CCCCC2)CC1 ZINC000001370955 209390726 /nfs/dbraw/zinc/39/07/26/209390726.db2.gz OYCGYVMEFKMXJF-UHFFFAOYSA-N 1 2 355.486 3.174 40 0 FGABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@@H]1CC[C@H](C3)[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000100219506 209210518 /nfs/dbraw/zinc/21/05/18/209210518.db2.gz FHEQWSUMBDKRRI-UONOGXRCSA-N 1 2 370.403 3.153 40 0 FGABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@@H]1CC[C@H](C3)[N@H+]1Cc1ccc(F)c(F)c1 ZINC000100219506 209210522 /nfs/dbraw/zinc/21/05/22/209210522.db2.gz FHEQWSUMBDKRRI-UONOGXRCSA-N 1 2 370.403 3.153 40 0 FGABLO Fc1cccc(-c2nc3c(c(NC4CC4)n2)C[N@@H+]([C@H]2CCOC2)CC3)c1 ZINC000096254244 209145877 /nfs/dbraw/zinc/14/58/77/209145877.db2.gz AHUHFAWWNFEFJI-INIZCTEOSA-N 1 2 354.429 3.004 40 0 FGABLO Fc1cccc(-c2nc3c(c(NC4CC4)n2)C[N@H+]([C@H]2CCOC2)CC3)c1 ZINC000096254244 209145880 /nfs/dbraw/zinc/14/58/80/209145880.db2.gz AHUHFAWWNFEFJI-INIZCTEOSA-N 1 2 354.429 3.004 40 0 FGABLO c1csc(CN2Cc3[nH+]cn(CC4CC4)c3[C@@H](COCC3CC3)C2)n1 ZINC000096068674 209107479 /nfs/dbraw/zinc/10/74/79/209107479.db2.gz ADDLBWCGKQNFGX-MRXNPFEDSA-N 1 2 358.511 3.276 40 0 FGABLO COc1ccc(CN2CCn3cc(C[N@H+](C)Cc4ccco4)nc3C2)cc1 ZINC000096059529 209105052 /nfs/dbraw/zinc/10/50/52/209105052.db2.gz DIZJPKGJVHYZCO-UHFFFAOYSA-N 1 2 366.465 3.133 40 0 FGABLO COc1ccc(CN2CCn3cc(C[N@@H+](C)Cc4ccco4)nc3C2)cc1 ZINC000096059529 209105054 /nfs/dbraw/zinc/10/50/54/209105054.db2.gz DIZJPKGJVHYZCO-UHFFFAOYSA-N 1 2 366.465 3.133 40 0 FGABLO COCCNC(=O)c1cc(N)ccc1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000035703677 136118282 /nfs/dbraw/zinc/11/82/82/136118282.db2.gz KXIOUDAJCOYTGH-UHFFFAOYSA-N 1 2 367.493 3.104 40 0 FGABLO CCN(CC)c1cc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)nc[nH+]1 ZINC000079440077 136151024 /nfs/dbraw/zinc/15/10/24/136151024.db2.gz RZFAKOYALAFQNC-HNNXBMFYSA-N 1 2 363.506 3.159 40 0 FGABLO CCN(CC)c1cc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)[nH+]cn1 ZINC000079440077 136151025 /nfs/dbraw/zinc/15/10/25/136151025.db2.gz RZFAKOYALAFQNC-HNNXBMFYSA-N 1 2 363.506 3.159 40 0 FGABLO COc1ccc2[nH]c(-c3ccccc3)c(C[NH+]3CCOCC3)c(=O)c2c1 ZINC000028287132 493783738 /nfs/dbraw/zinc/78/37/38/493783738.db2.gz OFEUEKFEGCCMRQ-UHFFFAOYSA-N 1 2 350.418 3.036 40 0 FGABLO CCN(C)c1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072212726 494144418 /nfs/dbraw/zinc/14/44/18/494144418.db2.gz KGRRFLZUSXZXDN-GOSISDBHSA-N 1 2 359.495 3.372 40 0 FGABLO O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216199 494144787 /nfs/dbraw/zinc/14/47/87/494144787.db2.gz YLALTUZCWJTQSC-IBGZPJMESA-N 1 2 351.450 3.286 40 0 FGABLO O=C(CCc1ccccc1)N1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355389 494157418 /nfs/dbraw/zinc/15/74/18/494157418.db2.gz PSOCCDNEXBKVCI-GOSISDBHSA-N 1 2 361.449 3.001 40 0 FGABLO COc1cccc(Oc2nccnc2C2CC[NH+](Cc3ncc[nH]3)CC2)c1 ZINC000072363001 494158895 /nfs/dbraw/zinc/15/88/95/494158895.db2.gz WLWQYLZTVATYMJ-UHFFFAOYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2nccnc2C2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000072363001 494158900 /nfs/dbraw/zinc/15/89/00/494158900.db2.gz WLWQYLZTVATYMJ-UHFFFAOYSA-N 1 2 365.437 3.380 40 0 FGABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2ccccc2)n1 ZINC000072378438 494161177 /nfs/dbraw/zinc/16/11/77/494161177.db2.gz HTIFYBILYNOPIO-SFHVURJKSA-N 1 2 361.449 3.131 40 0 FGABLO Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CC[N@@H+](Cc3nccn3C)C2)n1 ZINC000072384185 494162241 /nfs/dbraw/zinc/16/22/41/494162241.db2.gz ULUDPGWXVIEGNJ-HNNXBMFYSA-N 1 2 367.428 3.439 40 0 FGABLO Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CC[N@H+](Cc3nccn3C)C2)n1 ZINC000072384185 494162246 /nfs/dbraw/zinc/16/22/46/494162246.db2.gz ULUDPGWXVIEGNJ-HNNXBMFYSA-N 1 2 367.428 3.439 40 0 FGABLO O=C1[C@H](Cc2ccccc2Br)[NH2+]CCN1C1CCCCC1 ZINC000072390210 494162363 /nfs/dbraw/zinc/16/23/63/494162363.db2.gz WGQDHVDZKJOTKS-INIZCTEOSA-N 1 2 351.288 3.125 40 0 FGABLO Cc1nc(C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)c2sccn12 ZINC000019240807 494439124 /nfs/dbraw/zinc/43/91/24/494439124.db2.gz DKVAXVDKCDWPAB-UHFFFAOYSA-N 1 2 357.483 3.087 40 0 FGABLO CNC(=S)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000019312261 494440849 /nfs/dbraw/zinc/44/08/49/494440849.db2.gz PFOQBUFMPMNKIB-UHFFFAOYSA-N 1 2 361.461 3.176 40 0 FGABLO CC(C)c1nc2c(c(N3CCOCC3)n1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019453725 494444822 /nfs/dbraw/zinc/44/48/22/494444822.db2.gz RECSSISPAHFRND-UHFFFAOYSA-N 1 2 370.472 3.134 40 0 FGABLO CC(C)c1nc2c(c(N3CCOCC3)n1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019453725 494444825 /nfs/dbraw/zinc/44/48/25/494444825.db2.gz RECSSISPAHFRND-UHFFFAOYSA-N 1 2 370.472 3.134 40 0 FGABLO CC(C)c1[nH+]ccn1-c1ccc(NC(=O)c2cc3c([nH]c2=O)CCC3)cc1 ZINC000019454519 494445444 /nfs/dbraw/zinc/44/54/44/494445444.db2.gz DBMHLZAUZUYHNE-UHFFFAOYSA-N 1 2 362.433 3.425 40 0 FGABLO CC[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1)n1nc(C)cc1C ZINC000019499470 494446583 /nfs/dbraw/zinc/44/65/83/494446583.db2.gz NCUDUPHAEAIDTR-ZWKOTPCHSA-N 1 2 369.444 3.229 40 0 FGABLO COc1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC000020047250 494466058 /nfs/dbraw/zinc/46/60/58/494466058.db2.gz RWTIFQONLICTMH-UHFFFAOYSA-N 1 2 360.841 3.433 40 0 FGABLO Fc1cccnc1OCC[C@H]1CCOC2(C[NH+](Cc3cccnc3)C2)C1 ZINC000247488534 496871991 /nfs/dbraw/zinc/87/19/91/496871991.db2.gz ARSZPVCKLLDRSW-INIZCTEOSA-N 1 2 357.429 3.066 40 0 FGABLO COc1ccc(C[NH+]2CC3(C2)C[C@H](Oc2ncccc2F)CCO3)cc1 ZINC000247902494 496926972 /nfs/dbraw/zinc/92/69/72/496926972.db2.gz RDSOFJMVMUDNRN-QGZVFWFLSA-N 1 2 358.413 3.042 40 0 FGABLO COC(=O)c1c2c(sc1NC(=O)c1cc(C)ccc1C)C[N@@H+](C)CC2 ZINC000225052808 497056271 /nfs/dbraw/zinc/05/62/71/497056271.db2.gz YJNMXPIQOMGGNQ-UHFFFAOYSA-N 1 2 358.463 3.392 40 0 FGABLO COC(=O)c1c2c(sc1NC(=O)c1cc(C)ccc1C)C[N@H+](C)CC2 ZINC000225052808 497056277 /nfs/dbraw/zinc/05/62/77/497056277.db2.gz YJNMXPIQOMGGNQ-UHFFFAOYSA-N 1 2 358.463 3.392 40 0 FGABLO Cc1csc(Nc2nccnc2C2CC[NH+](Cc3nccn3C)CC2)n1 ZINC000257209476 497390617 /nfs/dbraw/zinc/39/06/17/497390617.db2.gz BQNJYHSKJJDWRT-UHFFFAOYSA-N 1 2 369.498 3.098 40 0 FGABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+]2Cc2ccnn2C)nc(C)n1 ZINC000257222709 497392035 /nfs/dbraw/zinc/39/20/35/497392035.db2.gz DUKFFTZKRGAIEM-SFHVURJKSA-N 1 2 363.469 3.303 40 0 FGABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+]2Cc2ccnn2C)nc(C)n1 ZINC000257222709 497392039 /nfs/dbraw/zinc/39/20/39/497392039.db2.gz DUKFFTZKRGAIEM-SFHVURJKSA-N 1 2 363.469 3.303 40 0 FGABLO Cc1csc(Nc2cc(C)nc([C@H]3CCC[N@H+](Cc4ncc[nH]4)C3)n2)n1 ZINC000257318159 497402322 /nfs/dbraw/zinc/40/23/22/497402322.db2.gz VMSQYOORCTXUDE-AWEZNQCLSA-N 1 2 369.498 3.396 40 0 FGABLO Cc1csc(Nc2cc(C)nc([C@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)n2)n1 ZINC000257318159 497402328 /nfs/dbraw/zinc/40/23/28/497402328.db2.gz VMSQYOORCTXUDE-AWEZNQCLSA-N 1 2 369.498 3.396 40 0 FGABLO CNc1cc([C@H]2CCCN(C(=O)Cc3ccc(OC)c(F)c3)C2)cc[nH+]1 ZINC000257312960 497402845 /nfs/dbraw/zinc/40/28/45/497402845.db2.gz UQKSUDGFVDNSPS-INIZCTEOSA-N 1 2 357.429 3.220 40 0 FGABLO O=C(C1CC1)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306124493 498737034 /nfs/dbraw/zinc/73/70/34/498737034.db2.gz BRNDCQJKYBZXTA-FQEVSTJZSA-N 1 2 358.445 3.211 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000306141072 498740237 /nfs/dbraw/zinc/74/02/37/498740237.db2.gz VKQKSDYFCWNRAK-XLIONFOSSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000306141072 498740241 /nfs/dbraw/zinc/74/02/41/498740241.db2.gz VKQKSDYFCWNRAK-XLIONFOSSA-N 1 2 366.442 3.097 40 0 FGABLO Clc1cccc(C[N@H+]2Cc3ccnn3C[C@H](CNc3ncccn3)C2)c1 ZINC000306133436 498741470 /nfs/dbraw/zinc/74/14/70/498741470.db2.gz MLHIWBMFTIZDEK-MRXNPFEDSA-N 1 2 368.872 3.071 40 0 FGABLO Clc1cccc(C[N@@H+]2Cc3ccnn3C[C@H](CNc3ncccn3)C2)c1 ZINC000306133436 498741474 /nfs/dbraw/zinc/74/14/74/498741474.db2.gz MLHIWBMFTIZDEK-MRXNPFEDSA-N 1 2 368.872 3.071 40 0 FGABLO CC(C)Nc1nc(NCc2ccccc2Cl)cc(-c2cccnc2)[nH+]1 ZINC000328974809 499004179 /nfs/dbraw/zinc/00/41/79/499004179.db2.gz FGSITGRMKDIPGQ-UHFFFAOYSA-N 1 2 353.857 3.468 40 0 FGABLO c1cncc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328981711 499005249 /nfs/dbraw/zinc/00/52/49/499005249.db2.gz GVLUMVWEJVBMQK-UHFFFAOYSA-N 1 2 360.465 3.134 40 0 FGABLO Fc1cccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329026225 499018058 /nfs/dbraw/zinc/01/80/58/499018058.db2.gz PKUSELXCUOAVNK-UHFFFAOYSA-N 1 2 363.440 3.488 40 0 FGABLO Fc1ccc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)cc1F ZINC000585105066 507571439 /nfs/dbraw/zinc/57/14/39/507571439.db2.gz OPMPPFSVEXVALM-INIZCTEOSA-N 1 2 369.477 3.468 40 0 FGABLO Cc1nc(C)c(C(=O)N2CCc3[nH+]cc(-c4ccccc4)n3CC2)s1 ZINC000585111580 507574731 /nfs/dbraw/zinc/57/47/31/507574731.db2.gz XDTMELCANFSLNW-UHFFFAOYSA-N 1 2 352.463 3.322 40 0 FGABLO O=C(NCC[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)c1ccsc1 ZINC000585111957 507576274 /nfs/dbraw/zinc/57/62/74/507576274.db2.gz FPWTXDQZKWTOEJ-OAHLLOKOSA-N 1 2 372.519 3.383 40 0 FGABLO O=C(NCC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)c1ccsc1 ZINC000585111957 507576275 /nfs/dbraw/zinc/57/62/75/507576275.db2.gz FPWTXDQZKWTOEJ-OAHLLOKOSA-N 1 2 372.519 3.383 40 0 FGABLO C[C@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328977205 210127922 /nfs/dbraw/zinc/12/79/22/210127922.db2.gz FRXBDJYIMAUFME-CQSZACIVSA-N 1 2 368.868 3.046 40 0 FGABLO CC[C@@H](C)Nc1nc(NCc2cccc(OC)c2)cc(-c2cccnc2)[nH+]1 ZINC000328976803 210127061 /nfs/dbraw/zinc/12/70/61/210127061.db2.gz FPZVIMPGMFFKIZ-OAHLLOKOSA-N 1 2 363.465 3.214 40 0 FGABLO Cc1ccsc1C[N@H+]1Cc2ccnn2[C@@H](CCNC(=O)N2CCCC2)C1 ZINC000306132137 210053976 /nfs/dbraw/zinc/05/39/76/210053976.db2.gz KZWHBKWCLPWSFK-INIZCTEOSA-N 1 2 373.526 3.005 40 0 FGABLO Cc1ccsc1C[N@@H+]1Cc2ccnn2[C@@H](CCNC(=O)N2CCCC2)C1 ZINC000306132137 210053981 /nfs/dbraw/zinc/05/39/81/210053981.db2.gz KZWHBKWCLPWSFK-INIZCTEOSA-N 1 2 373.526 3.005 40 0 FGABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000306130881 210051148 /nfs/dbraw/zinc/05/11/48/210051148.db2.gz JRTOXQNYQLDZDW-QUCCMNQESA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000306130881 210051151 /nfs/dbraw/zinc/05/11/51/210051151.db2.gz JRTOXQNYQLDZDW-QUCCMNQESA-N 1 2 366.442 3.097 40 0 FGABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Cc4ccccc4)n3)C2)cn1 ZINC000257258349 223039933 /nfs/dbraw/zinc/03/99/33/223039933.db2.gz KTLOSRUCIOQOEF-JOCHJYFZSA-N 1 2 362.477 3.462 40 0 FGABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(Cc4ccccc4)n3)C2)cn1 ZINC000257258349 223039936 /nfs/dbraw/zinc/03/99/36/223039936.db2.gz KTLOSRUCIOQOEF-JOCHJYFZSA-N 1 2 362.477 3.462 40 0 FGABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc4cc(F)ccc4n3C)C2)[nH+]1 ZINC000257334739 223069952 /nfs/dbraw/zinc/06/99/52/223069952.db2.gz YHEKASXHGARYCO-CQSZACIVSA-N 1 2 354.429 3.379 40 0 FGABLO O=C(NCCCn1cc[nH+]c1)c1ccc2nc(-c3ccccc3)cnc2c1 ZINC000257325624 223066992 /nfs/dbraw/zinc/06/69/92/223066992.db2.gz WTSVUWAQFXQAQR-UHFFFAOYSA-N 1 2 357.417 3.313 40 0 FGABLO Cc1ccccc1CC(=O)N1C[C@@H]2c3[nH+]cc(-c4ccncc4)n3C[C@@H]2C1 ZINC000306137265 223112140 /nfs/dbraw/zinc/11/21/40/223112140.db2.gz QRDTZXAKXIZQPI-OALUTQOASA-N 1 2 358.445 3.052 40 0 FGABLO c1csc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccncc3)no2)c1 ZINC000015675642 220160099 /nfs/dbraw/zinc/16/00/99/220160099.db2.gz LTGJSVCMWYTPTL-INIZCTEOSA-N 1 2 364.434 3.216 40 0 biogenic,in-vitro FGABLO Cc1nn(C)cc1-c1c[nH+]cn1Cc1cccc(OC[C@@H]2CCCO2)c1 ZINC000019719464 211251214 /nfs/dbraw/zinc/25/12/14/211251214.db2.gz IYLMDDSVLPJIMR-SFHVURJKSA-N 1 2 352.438 3.198 40 0 FGABLO Cc1cnn(CC(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)c1 ZINC000019239954 211212901 /nfs/dbraw/zinc/21/29/01/211212901.db2.gz RTRBROUUSGLZIE-UHFFFAOYSA-N 1 2 359.433 3.492 40 0 FGABLO COc1cccc(Cc2cnc([C@@H]3CCN(c4cc[nH+]c(C)n4)C3)o2)c1 ZINC000257254460 533550640 /nfs/dbraw/zinc/55/06/40/533550640.db2.gz KDDIOFYSNIDRED-MRXNPFEDSA-N 1 2 350.422 3.366 40 0 FGABLO COc1cccc(OCCc2cc([C@H]3C[N@H+](CC(C)C)CCO3)n[nH]2)c1 ZINC000257251748 533665439 /nfs/dbraw/zinc/66/54/39/533665439.db2.gz JSBNEPRZNLSNGD-HXUWFJFHSA-N 1 2 359.470 3.069 40 0 FGABLO COc1cccc(OCCc2cc([C@H]3C[N@@H+](CC(C)C)CCO3)n[nH]2)c1 ZINC000257251748 533665446 /nfs/dbraw/zinc/66/54/46/533665446.db2.gz JSBNEPRZNLSNGD-HXUWFJFHSA-N 1 2 359.470 3.069 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3nccn3C[C@@H](COCc3ccccn3)C2)o1 ZINC000096059166 222006547 /nfs/dbraw/zinc/00/65/47/222006547.db2.gz SENWERXWINMIKT-KRWDZBQOSA-N 1 2 352.438 3.028 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3nccn3C[C@@H](COCc3ccccn3)C2)o1 ZINC000096059166 222006548 /nfs/dbraw/zinc/00/65/48/222006548.db2.gz SENWERXWINMIKT-KRWDZBQOSA-N 1 2 352.438 3.028 40 0 FGABLO c1csc(C[N@H+]2Cc3nccn3C[C@@H](COCc3ccccn3)C2)c1 ZINC000096059157 222007296 /nfs/dbraw/zinc/00/72/96/222007296.db2.gz LSADPNAHFJSGIG-INIZCTEOSA-N 1 2 354.479 3.188 40 0 FGABLO c1csc(C[N@@H+]2Cc3nccn3C[C@@H](COCc3ccccn3)C2)c1 ZINC000096059157 222007299 /nfs/dbraw/zinc/00/72/99/222007299.db2.gz LSADPNAHFJSGIG-INIZCTEOSA-N 1 2 354.479 3.188 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3nccn3C[C@H](COCc3ccccn3)C2)o1 ZINC000096059165 222007856 /nfs/dbraw/zinc/00/78/56/222007856.db2.gz SENWERXWINMIKT-QGZVFWFLSA-N 1 2 352.438 3.028 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3nccn3C[C@H](COCc3ccccn3)C2)o1 ZINC000096059165 222007859 /nfs/dbraw/zinc/00/78/59/222007859.db2.gz SENWERXWINMIKT-QGZVFWFLSA-N 1 2 352.438 3.028 40 0 FGABLO CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CCN(C(=O)Cc1ccsc1)C2 ZINC000096254178 222102133 /nfs/dbraw/zinc/10/21/33/222102133.db2.gz ILIHDNYFIVRLQE-UHFFFAOYSA-N 1 2 371.510 3.060 40 0 FGABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@H]1CC[C@@H](C3)[N@@H+]1Cc1ccc(F)cc1 ZINC000100219474 222239652 /nfs/dbraw/zinc/23/96/52/222239652.db2.gz DLTVUBUAJJQNKF-CVEARBPZSA-N 1 2 352.413 3.014 40 0 FGABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@H]1CC[C@@H](C3)[N@H+]1Cc1ccc(F)cc1 ZINC000100219474 222239655 /nfs/dbraw/zinc/23/96/55/222239655.db2.gz DLTVUBUAJJQNKF-CVEARBPZSA-N 1 2 352.413 3.014 40 0 FGABLO COc1cc(OC)c(OC)cc1C[N@@H+]1[C@@H]2CC[C@H]1c1cnc(C)nc1C2 ZINC000072340964 494154910 /nfs/dbraw/zinc/15/49/10/494154910.db2.gz HPVRTZVIJYJPAI-PBHICJAKSA-N 1 2 355.438 3.073 40 0 FGABLO COc1cc(OC)c(OC)cc1C[N@H+]1[C@@H]2CC[C@H]1c1cnc(C)nc1C2 ZINC000072340964 494154914 /nfs/dbraw/zinc/15/49/14/494154914.db2.gz HPVRTZVIJYJPAI-PBHICJAKSA-N 1 2 355.438 3.073 40 0 FGABLO O=C(CCc1ccccc1)N1CCC(c2cncc(-n3cc[nH+]c3)n2)CC1 ZINC000072355390 494157311 /nfs/dbraw/zinc/15/73/11/494157311.db2.gz WFDKEGFKLRMMEB-UHFFFAOYSA-N 1 2 361.449 3.001 40 0 FGABLO O=C(COc1ccccc1)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378590 494160922 /nfs/dbraw/zinc/16/09/22/494160922.db2.gz KITCDZLMDLUPCR-KRWDZBQOSA-N 1 2 362.433 3.052 40 0 FGABLO Cc1ccc2cc(C[NH2+]c3ccc(N4CCC[C@H](O)C4)cc3)c(=O)[nH]c2c1 ZINC000012088299 494203001 /nfs/dbraw/zinc/20/30/01/494203001.db2.gz FAVVSXHFDDJBAQ-FQEVSTJZSA-N 1 2 363.461 3.410 40 0 FGABLO C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000012116309 494205637 /nfs/dbraw/zinc/20/56/37/494205637.db2.gz UFKVGUYLOYUAQX-RDJZCZTQSA-N 1 2 354.498 3.485 40 0 FGABLO Cc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4CCC(O)CC4)cc3)cc2c1 ZINC000013563028 494289011 /nfs/dbraw/zinc/28/90/11/494289011.db2.gz AIJKNJRHOCTCAU-UHFFFAOYSA-N 1 2 363.461 3.410 40 0 FGABLO Cn1c[nH+]c2c1[C@@H](COCC1CCCC1)CN(C(=O)C[C@@H]1C=CCC1)C2 ZINC000096044967 494998676 /nfs/dbraw/zinc/99/86/76/494998676.db2.gz UGSBFCUZROQYFB-SJLPKXTDSA-N 1 2 357.498 3.409 40 0 FGABLO COc1ccc(C[NH+]2CC3(C2)OCC[C@H]3CCOCc2ccncc2)cc1 ZINC000247870348 496923163 /nfs/dbraw/zinc/92/31/63/496923163.db2.gz CWXVBHVYZNQASZ-HXUWFJFHSA-N 1 2 368.477 3.288 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@H](OCc3cccc(C)n3)C2)o1 ZINC000247898232 496925669 /nfs/dbraw/zinc/92/56/69/496925669.db2.gz YKXDSSJCFMLBES-HXUWFJFHSA-N 1 2 352.438 3.089 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@H](OCc3cccc(C)n3)C2)o1 ZINC000247898232 496925674 /nfs/dbraw/zinc/92/56/74/496925674.db2.gz YKXDSSJCFMLBES-HXUWFJFHSA-N 1 2 352.438 3.089 40 0 FGABLO CC(=O)c1ccc(NC(=S)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000225221159 497058410 /nfs/dbraw/zinc/05/84/10/497058410.db2.gz SZLUUHAJDSPAMW-UHFFFAOYSA-N 1 2 369.490 3.109 40 0 FGABLO c1cc2n(c1)[C@@H](CCOCC1CCOCC1)C[N@H+](Cc1cccnc1)C2 ZINC000253588618 497343644 /nfs/dbraw/zinc/34/36/44/497343644.db2.gz KKPMFAGXCRAFBQ-NRFANRHFSA-N 1 2 355.482 3.273 40 0 FGABLO c1cc2n(c1)[C@@H](CCOCC1CCOCC1)C[N@@H+](Cc1cccnc1)C2 ZINC000253588618 497343650 /nfs/dbraw/zinc/34/36/50/497343650.db2.gz KKPMFAGXCRAFBQ-NRFANRHFSA-N 1 2 355.482 3.273 40 0 FGABLO O[C@@H]1c2cc(Cl)cc(Cl)c2O[C@H]2[C@H]([NH+]3CCOCC3)CCC[C@H]21 ZINC000255188817 497361035 /nfs/dbraw/zinc/36/10/35/497361035.db2.gz LUUHSWQTOMSKJN-MQVNZCODSA-N 1 2 358.265 3.289 40 0 FGABLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2csnn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245565528 497459789 /nfs/dbraw/zinc/45/97/89/497459789.db2.gz PSZNBZSLOBLNKO-UKRRQHHQSA-N 1 2 368.865 3.284 40 0 FGABLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2csnn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245565528 497459793 /nfs/dbraw/zinc/45/97/93/497459793.db2.gz PSZNBZSLOBLNKO-UKRRQHHQSA-N 1 2 368.865 3.284 40 0 FGABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1oc2ccccc2c1C ZINC000585094829 507566141 /nfs/dbraw/zinc/56/61/41/507566141.db2.gz OOLUEJQDRVYVFR-AWEZNQCLSA-N 1 2 353.422 3.078 40 0 FGABLO Cc1cnc([C@@H]2CCCN(C(=O)Cc3c(C)[nH+]c4ccccn43)C2)s1 ZINC000257202793 534627601 /nfs/dbraw/zinc/62/76/01/534627601.db2.gz ANLDCCGYMFGTCI-OAHLLOKOSA-N 1 2 354.479 3.356 40 0 FGABLO CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000096297264 535037491 /nfs/dbraw/zinc/03/74/91/535037491.db2.gz DOHBFGQLMBHYTQ-KGVIQGDOSA-N 1 2 355.526 3.140 40 0 FGABLO Cc1c(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)cccc1C(F)(F)F ZINC000329021782 210131686 /nfs/dbraw/zinc/13/16/86/210131686.db2.gz OJNPAVLIKCGPPD-UHFFFAOYSA-N 1 2 366.387 3.063 40 0 FGABLO C[C@@H](CO)Nc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329019824 210130566 /nfs/dbraw/zinc/13/05/66/210130566.db2.gz NYFJJSFCUCZGDQ-LBPRGKRZSA-N 1 2 372.831 3.316 40 0 FGABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)c(Cl)c1 ZINC000328965846 210127136 /nfs/dbraw/zinc/12/71/36/210127136.db2.gz CFNMDHCXJZROEI-UHFFFAOYSA-N 1 2 368.868 3.487 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000306141073 210057251 /nfs/dbraw/zinc/05/72/51/210057251.db2.gz VKQKSDYFCWNRAK-YLJYHZDGSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000306141073 210057257 /nfs/dbraw/zinc/05/72/57/210057257.db2.gz VKQKSDYFCWNRAK-YLJYHZDGSA-N 1 2 366.442 3.097 40 0 FGABLO CN1CC[N@H+](Cc2ccoc2)C[C@@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306132899 210053000 /nfs/dbraw/zinc/05/30/00/210053000.db2.gz LVNONIMSBFASGY-OAQYLSRUSA-N 1 2 373.460 3.478 40 0 FGABLO CN1CC[N@@H+](Cc2ccoc2)C[C@@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306132899 210053003 /nfs/dbraw/zinc/05/30/03/210053003.db2.gz LVNONIMSBFASGY-OAQYLSRUSA-N 1 2 373.460 3.478 40 0 FGABLO Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000306127795 210051520 /nfs/dbraw/zinc/05/15/20/210051520.db2.gz GHVLNAAATBGTGP-OAHLLOKOSA-N 1 2 367.478 3.032 40 0 FGABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc(N4CCCC4)cc3)C2)[nH+]1 ZINC000257199795 223015933 /nfs/dbraw/zinc/01/59/33/223015933.db2.gz AAVJWDFQAREZNJ-GOSISDBHSA-N 1 2 352.482 3.349 40 0 FGABLO COc1cccc(CC(=O)N2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)c1 ZINC000257288740 223052155 /nfs/dbraw/zinc/05/21/55/223052155.db2.gz PVKXDZWZXRSWLW-SFHVURJKSA-N 1 2 353.466 3.105 40 0 FGABLO Cc1noc(C)c1-c1cccc([C@H]2C[N@H+](Cc3ccncc3)CCO2)n1 ZINC000257344084 223073590 /nfs/dbraw/zinc/07/35/90/223073590.db2.gz ZVSIUSIBWTXYAE-LJQANCHMSA-N 1 2 350.422 3.322 40 0 FGABLO Cc1noc(C)c1-c1cccc([C@H]2C[N@@H+](Cc3ccncc3)CCO2)n1 ZINC000257344084 223073593 /nfs/dbraw/zinc/07/35/93/223073593.db2.gz ZVSIUSIBWTXYAE-LJQANCHMSA-N 1 2 350.422 3.322 40 0 FGABLO c1[nH]c2c([nH+]1)C[C@@H](c1nc(-c3ccccn3)no1)N(Cc1ccccc1)C2 ZINC000015675564 220159472 /nfs/dbraw/zinc/15/94/72/220159472.db2.gz ZRDAWVJQMFTSID-SFHVURJKSA-N 1 2 358.405 3.154 40 0 biogenic,in-vitro FGABLO CC(C)c1noc([C@@H]2Cc3[nH]c[nH+]c3CN2C(=O)Nc2ccccc2)n1 ZINC000015676019 220161097 /nfs/dbraw/zinc/16/10/97/220161097.db2.gz OQUVAYZJFYZFNB-HNNXBMFYSA-N 1 2 352.398 3.248 40 0 biogenic,in-vitro FGABLO CC(C)c1noc([C@@H]2Cc3[nH+]c[nH]c3CN2C(=O)Nc2ccccc2)n1 ZINC000015676019 220161099 /nfs/dbraw/zinc/16/10/99/220161099.db2.gz OQUVAYZJFYZFNB-HNNXBMFYSA-N 1 2 352.398 3.248 40 0 biogenic,in-vitro FGABLO Cc1nonc1CNc1cc([C@@H](C)Cn2nc(C)c(C)c2C)[nH+]c(C)n1 ZINC000019717961 211249252 /nfs/dbraw/zinc/24/92/52/211249252.db2.gz HZRGZNXCHMXUJQ-JTQLQIEISA-N 1 2 355.446 3.014 40 0 FGABLO O=S(=O)(Cc1ccccc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000019349558 211218979 /nfs/dbraw/zinc/21/89/79/211218979.db2.gz ILTSNUOWPXHOHR-UHFFFAOYSA-N 1 2 361.854 3.145 40 0 FGABLO Fc1cccc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)c1F ZINC000019292682 211214246 /nfs/dbraw/zinc/21/42/46/211214246.db2.gz NGLIBXQTBNVVSI-UHFFFAOYSA-N 1 2 361.436 3.084 40 0 FGABLO Fc1cccc(C[N@@H+](CCCN2CCOCC2)Cc2ccncc2)c1F ZINC000019292682 211214250 /nfs/dbraw/zinc/21/42/50/211214250.db2.gz NGLIBXQTBNVVSI-UHFFFAOYSA-N 1 2 361.436 3.084 40 0 FGABLO COc1cc([C@H]2[NH2+][C@H](c3ccc(O)c(OC)c3)[C@H](C)C(=O)[C@H]2C)ccc1O ZINC000055134784 221059722 /nfs/dbraw/zinc/05/97/22/221059722.db2.gz LCWMNVDSZHCUEH-HIGYNYDNSA-N 1 2 371.433 3.342 40 0 FGABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000057669897 136129795 /nfs/dbraw/zinc/12/97/95/136129795.db2.gz RRSICDGWEMZBCD-GOSISDBHSA-N 1 2 356.518 3.338 40 0 FGABLO CC(C)Oc1ccc(NC(=O)[C@H]2c3c(ncn3C)CC[N@H+]2CC2CC2)cc1 ZINC000096264940 222105897 /nfs/dbraw/zinc/10/58/97/222105897.db2.gz OZQNRYLFFQULMT-HXUWFJFHSA-N 1 2 368.481 3.155 40 0 FGABLO CC(C)Oc1ccc(NC(=O)[C@H]2c3c(ncn3C)CC[N@@H+]2CC2CC2)cc1 ZINC000096264940 222105900 /nfs/dbraw/zinc/10/59/00/222105900.db2.gz OZQNRYLFFQULMT-HXUWFJFHSA-N 1 2 368.481 3.155 40 0 FGABLO CCOC(=O)[C@@]1(O)C[C@]2(CC)CCC[N@@H+]3CCc4c5ccccc5n1c4[C@@H]32 ZINC000005599194 493936593 /nfs/dbraw/zinc/93/65/93/493936593.db2.gz XRMLLVHAALNSGZ-HJNYFJLDSA-N 1 2 368.477 3.343 40 0 FGABLO CCOC(=O)[C@@]1(O)C[C@]2(CC)CCC[N@H+]3CCc4c5ccccc5n1c4[C@@H]32 ZINC000005599194 493936594 /nfs/dbraw/zinc/93/65/94/493936594.db2.gz XRMLLVHAALNSGZ-HJNYFJLDSA-N 1 2 368.477 3.343 40 0 FGABLO CC(=O)Nc1ccc(C(=O)C[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000031628057 493952378 /nfs/dbraw/zinc/95/23/78/493952378.db2.gz XSAWEFRIRWTHPY-FQEVSTJZSA-N 1 2 352.434 3.291 40 0 FGABLO CCN(C)c1[nH+]cccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072212785 494144581 /nfs/dbraw/zinc/14/45/81/494144581.db2.gz BNSFZRZJXFFVHG-SFHVURJKSA-N 1 2 359.495 3.372 40 0 FGABLO Cc1cc([C@@H]2CCCN2C(=O)c2ccccc2)c[nH+]c1N1CCOCC1 ZINC000072219347 494146034 /nfs/dbraw/zinc/14/60/34/494146034.db2.gz AYLWTGJSHSWXDO-IBGZPJMESA-N 1 2 351.450 3.204 40 0 FGABLO CCOc1ccc(OCC[NH+]2CCN(CC(=O)CC(C)(C)C)CC2)cc1 ZINC000041105107 494148114 /nfs/dbraw/zinc/14/81/14/494148114.db2.gz OPGRXBDKZYFMMQ-UHFFFAOYSA-N 1 2 362.514 3.087 40 0 FGABLO O=C(CCCc1ccccc1)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378555 494160731 /nfs/dbraw/zinc/16/07/31/494160731.db2.gz HDMUBIRUFTZUKX-IBGZPJMESA-N 1 2 361.449 3.349 40 0 FGABLO Cc1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCC[C@@H](O)C4)cc3)cc2c1 ZINC000012088300 494202449 /nfs/dbraw/zinc/20/24/49/494202449.db2.gz VTMSNDRFAMEVSS-HXUWFJFHSA-N 1 2 363.461 3.410 40 0 FGABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](Cc4ccccc4F)C3)[nH]n2c1=O ZINC000012276406 494218894 /nfs/dbraw/zinc/21/88/94/494218894.db2.gz WQVOJKLIXNSBRW-HNNXBMFYSA-N 1 2 354.429 3.434 40 0 FGABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4ccccc4F)C3)[nH]n2c1=O ZINC000012276406 494218897 /nfs/dbraw/zinc/21/88/97/494218897.db2.gz WQVOJKLIXNSBRW-HNNXBMFYSA-N 1 2 354.429 3.434 40 0 FGABLO COc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccccc3F)CC2)cc1 ZINC000012471790 494235876 /nfs/dbraw/zinc/23/58/76/494235876.db2.gz DLTUDVQWPQMRDV-UHFFFAOYSA-N 1 2 370.424 3.368 40 0 FGABLO CCOc1ccc(-c2nnc([C@@H]([NH3+])c3cccc(OC)c3)[nH]2)cc1OCC ZINC000095533633 494989427 /nfs/dbraw/zinc/98/94/27/494989427.db2.gz TWJOQHYOQBMBDZ-SFHVURJKSA-N 1 2 368.437 3.326 40 0 FGABLO Cn1c[nH+]c2c1[C@H](COCC1CCCC1)CN(C(=O)[C@@H]1CC=CCC1)C2 ZINC000096044970 494998569 /nfs/dbraw/zinc/99/85/69/494998569.db2.gz BCCFDKPLUCLHSN-MSOLQXFVSA-N 1 2 357.498 3.409 40 0 FGABLO O=C(NC[C@@H]1C[N@H+](Cc2cccc3ccccc32)Cc2cncn21)C1CC1 ZINC000247516692 496877506 /nfs/dbraw/zinc/87/75/06/496877506.db2.gz VYWRBKSXESTRNU-HXUWFJFHSA-N 1 2 360.461 3.119 40 0 FGABLO O=C(NC[C@@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2cncn21)C1CC1 ZINC000247516692 496877511 /nfs/dbraw/zinc/87/75/11/496877511.db2.gz VYWRBKSXESTRNU-HXUWFJFHSA-N 1 2 360.461 3.119 40 0 FGABLO O=C(NC[C@@H]1CN(Cc2cccc3ccccc32)Cc2c[nH+]cn21)C1CC1 ZINC000247516692 496877514 /nfs/dbraw/zinc/87/75/14/496877514.db2.gz VYWRBKSXESTRNU-HXUWFJFHSA-N 1 2 360.461 3.119 40 0 FGABLO Cc1cccc(C(=O)N2CC3(C2)OCC[C@H]3CCNc2cccc[nH+]2)c1 ZINC000248172756 496969604 /nfs/dbraw/zinc/96/96/04/496969604.db2.gz XICUYSRNMQCENC-GOSISDBHSA-N 1 2 351.450 3.123 40 0 FGABLO O=C(c1snnc1-c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225789764 497075277 /nfs/dbraw/zinc/07/52/77/497075277.db2.gz HUCXQPXKECKOLR-UHFFFAOYSA-N 1 2 370.503 3.225 40 0 FGABLO O[C@@H]1c2cc(Cl)cc(Cl)c2O[C@@H]2[C@@H]1CCC[C@H]2[NH+]1CCOCC1 ZINC000255188815 497360536 /nfs/dbraw/zinc/36/05/36/497360536.db2.gz LUUHSWQTOMSKJN-FIUQPQMISA-N 1 2 358.265 3.289 40 0 FGABLO OCCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000328989730 499009231 /nfs/dbraw/zinc/00/92/31/499009231.db2.gz ILZBQPITHVWNPX-UHFFFAOYSA-N 1 2 372.778 3.018 40 0 FGABLO CC(C)n1cc(C[NH+]2CC3(C2)C[C@H](OCc2cccnc2)CS3)cn1 ZINC000585103994 507570066 /nfs/dbraw/zinc/57/00/66/507570066.db2.gz FHCXJZSGUKXOOL-SFHVURJKSA-N 1 2 358.511 3.136 40 0 FGABLO CC(C)[C@@H](CO)Nc1nc(Nc2cccc(O)c2)cc(-c2ccccc2)[nH+]1 ZINC000329050150 210132246 /nfs/dbraw/zinc/13/22/46/210132246.db2.gz UTKMKLHFBXJCSU-LJQANCHMSA-N 1 2 364.449 3.444 40 0 FGABLO CC[C@H](C)Nc1nc(NCc2ccc(F)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329012035 210130811 /nfs/dbraw/zinc/13/08/11/210130811.db2.gz MHMWUKYAOSXTCQ-AWEZNQCLSA-N 1 2 351.429 3.344 40 0 FGABLO CC[C@@H](C)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000328977706 210127717 /nfs/dbraw/zinc/12/77/17/210127717.db2.gz FVAMBHKSSQZXKX-CYBMUJFWSA-N 1 2 369.419 3.483 40 0 FGABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)c(F)c2F)cc(C2CC2)[nH+]1 ZINC000328961607 210126781 /nfs/dbraw/zinc/12/67/81/210126781.db2.gz BENGAOKXQWOMPQ-CQSZACIVSA-N 1 2 366.387 3.366 40 0 FGABLO c1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5cccnc5)CCO4)nnn3c2)cc1 ZINC000306125758 210050163 /nfs/dbraw/zinc/05/01/63/210050163.db2.gz DBLWZRSMFVQBFN-OAQYLSRUSA-N 1 2 371.444 3.365 40 0 FGABLO c1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5cccnc5)CCO4)nnn3c2)cc1 ZINC000306125758 210050167 /nfs/dbraw/zinc/05/01/67/210050167.db2.gz DBLWZRSMFVQBFN-OAQYLSRUSA-N 1 2 371.444 3.365 40 0 FGABLO COc1ccccc1OC[C@@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000224375850 222812012 /nfs/dbraw/zinc/81/20/12/222812012.db2.gz QXHRTTCTNKYYIY-MRXNPFEDSA-N 1 2 365.433 3.137 40 0 FGABLO Cc1noc(C)c1CCC(=O)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257339912 223072243 /nfs/dbraw/zinc/07/22/43/223072243.db2.gz ZDQXPONTXJWOGF-SFHVURJKSA-N 1 2 350.422 3.204 40 0 FGABLO Fc1ccc(C[N@@H+]2CC[C@H](c3ccnc(Nc4ncccn4)n3)C2)cc1 ZINC000257343494 223073713 /nfs/dbraw/zinc/07/37/13/223073713.db2.gz ZTGHZZQLINVSLE-HNNXBMFYSA-N 1 2 350.401 3.139 40 0 FGABLO Fc1ccc(C[N@H+]2CC[C@H](c3ccnc(Nc4ncccn4)n3)C2)cc1 ZINC000257343494 223073717 /nfs/dbraw/zinc/07/37/17/223073717.db2.gz ZTGHZZQLINVSLE-HNNXBMFYSA-N 1 2 350.401 3.139 40 0 FGABLO CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000022515258 211353246 /nfs/dbraw/zinc/35/32/46/211353246.db2.gz NBEIYMNPOSJTBZ-FQEVSTJZSA-N 1 2 365.433 3.355 40 0 FGABLO Cc1nn(C)cc1-c1c[nH+]cn1Cc1cccc(OC[C@H]2CCCO2)c1 ZINC000019719465 211251739 /nfs/dbraw/zinc/25/17/39/211251739.db2.gz IYLMDDSVLPJIMR-GOSISDBHSA-N 1 2 352.438 3.198 40 0 FGABLO CCc1[nH+]c2cc(NC(=O)[C@H](C)Cn3nc(C)nc3C)ccc2n1CC ZINC000019523197 211227202 /nfs/dbraw/zinc/22/72/02/211227202.db2.gz UIYSOBMHCVXSLO-GFCCVEGCSA-N 1 2 354.458 3.102 40 0 FGABLO Cc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019209840 211206943 /nfs/dbraw/zinc/20/69/43/211206943.db2.gz CPZCZKXFJOKREZ-FQEVSTJZSA-N 1 2 364.493 3.069 40 0 FGABLO Cc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019209840 211206949 /nfs/dbraw/zinc/20/69/49/211206949.db2.gz CPZCZKXFJOKREZ-FQEVSTJZSA-N 1 2 364.493 3.069 40 0 FGABLO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000019125226 211204691 /nfs/dbraw/zinc/20/46/91/211204691.db2.gz XLXFDQKEGIPTCU-UHFFFAOYSA-N 1 2 374.448 3.240 40 0 FGABLO OC1(c2cccnc2F)CC[NH+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000013265821 211027781 /nfs/dbraw/zinc/02/77/81/211027781.db2.gz HDYJRYVHOWKMQK-UHFFFAOYSA-N 1 2 364.804 3.086 40 0 FGABLO c1c[nH+]c(CN2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)[nH]1 ZINC000049155515 221020819 /nfs/dbraw/zinc/02/08/19/221020819.db2.gz KRAXAYUTFHIPFB-KRWDZBQOSA-N 1 2 373.420 3.254 40 0 biogenic,in-vitro FGABLO COc1cccc(Cc2cnc([C@H]3CCN(c4cc(C)[nH+]cn4)C3)o2)c1 ZINC000257260462 533550522 /nfs/dbraw/zinc/55/05/22/533550522.db2.gz LCYNECPRZZXUHK-INIZCTEOSA-N 1 2 350.422 3.366 40 0 FGABLO Cc1ccc(C)c(N2CC[NH+]([C@H](c3nnnn3C(C)C)C(C)C)CC2)c1 ZINC000057670157 136129842 /nfs/dbraw/zinc/12/98/42/136129842.db2.gz AUADPOFPFIIDHN-IBGZPJMESA-N 1 2 356.518 3.390 40 0 FGABLO CCC[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000057669684 136129866 /nfs/dbraw/zinc/12/98/66/136129866.db2.gz RISFZNWQOCYRGB-KRWDZBQOSA-N 1 2 372.517 3.100 40 0 FGABLO CCOC[C@@H]1C[N@H+](Cc2ccoc2)Cc2cnn(CC3CCOCC3)c21 ZINC000103948417 222347564 /nfs/dbraw/zinc/34/75/64/222347564.db2.gz OKYLUMAYNHJQJR-IBGZPJMESA-N 1 2 359.470 3.039 40 0 FGABLO CCOC[C@@H]1C[N@@H+](Cc2ccoc2)Cc2cnn(CC3CCOCC3)c21 ZINC000103948417 222347566 /nfs/dbraw/zinc/34/75/66/222347566.db2.gz OKYLUMAYNHJQJR-IBGZPJMESA-N 1 2 359.470 3.039 40 0 FGABLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccccc1F)c1ccc(F)c(F)c1 ZINC000012115005 494204577 /nfs/dbraw/zinc/20/45/77/494204577.db2.gz RVDWDIMSEPVVCS-SFHVURJKSA-N 1 2 359.351 3.286 40 0 FGABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](Cc4cccc(OC)c4)C3)[nH]n2c1=O ZINC000012276400 494218663 /nfs/dbraw/zinc/21/86/63/494218663.db2.gz XTIRZEBPBVOVDD-INIZCTEOSA-N 1 2 366.465 3.304 40 0 FGABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4cccc(OC)c4)C3)[nH]n2c1=O ZINC000012276400 494218668 /nfs/dbraw/zinc/21/86/68/494218668.db2.gz XTIRZEBPBVOVDD-INIZCTEOSA-N 1 2 366.465 3.304 40 0 FGABLO O=C1CCCC[C@@H]2[C@H](CC[N@@H+]2Cc2ncc[nH]2)N1Cc1ccccc1F ZINC000019713859 494456275 /nfs/dbraw/zinc/45/62/75/494456275.db2.gz JJEMCLHMVVSEGF-MSOLQXFVSA-N 1 2 356.445 3.095 40 0 FGABLO O=C1CCCC[C@@H]2[C@H](CC[N@H+]2Cc2ncc[nH]2)N1Cc1ccccc1F ZINC000019713859 494456277 /nfs/dbraw/zinc/45/62/77/494456277.db2.gz JJEMCLHMVVSEGF-MSOLQXFVSA-N 1 2 356.445 3.095 40 0 FGABLO Cc1cc(N2CC[C@H]3[C@H]2CCCCC(=O)N3C)nc(-c2ccccc2)[nH+]1 ZINC000019713165 494456539 /nfs/dbraw/zinc/45/65/39/494456539.db2.gz OXUMMSJMECNSHI-ZWKOTPCHSA-N 1 2 350.466 3.432 40 0 FGABLO C[C@@H]1CCCN(c2ncc(-c3c[nH+]cn3CCCC(C)(C)CO)cn2)C1 ZINC000019720002 494459029 /nfs/dbraw/zinc/45/90/29/494459029.db2.gz IIRMCPVWHHFZOW-MRXNPFEDSA-N 1 2 357.502 3.375 40 0 FGABLO c1cc(CN2CCC[C@H]2c2nnc3n2CC[NH2+]C3)cc(OC2CCCC2)c1 ZINC000019767400 494460041 /nfs/dbraw/zinc/46/00/41/494460041.db2.gz OCZZOULOUVUZIZ-IBGZPJMESA-N 1 2 367.497 3.040 40 0 FGABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)N1CCCCO1)N(Cc1ccccc1)CC2 ZINC000096037532 494997177 /nfs/dbraw/zinc/99/71/77/494997177.db2.gz VORSPBIRVMEKIT-HXUWFJFHSA-N 1 2 368.481 3.117 40 0 FGABLO O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000224898277 497054283 /nfs/dbraw/zinc/05/42/83/497054283.db2.gz FCZYQDVUWYUSFB-UHFFFAOYSA-N 1 2 365.477 3.371 40 0 FGABLO COc1ncccc1CN1CCn2c(CCOCC(C)C)c[nH+]c2[C@H]1C ZINC000585097759 507565661 /nfs/dbraw/zinc/56/56/61/507565661.db2.gz NWDGVMQMGOQTTE-MRXNPFEDSA-N 1 2 358.486 3.079 40 0 FGABLO Cc1cccc(CO[C@H]2CCOC3(C[NH+](Cc4ccc(F)cc4)C3)C2)n1 ZINC000585103855 507571017 /nfs/dbraw/zinc/57/10/17/507571017.db2.gz DJTMQSFLTRBRSS-FQEVSTJZSA-N 1 2 356.441 3.479 40 0 FGABLO Cc1ccccc1C[N@@H+]1CCc2oc(C(=O)N[C@@H]3CC[C@@H](F)C3)nc2C1 ZINC000585112714 507576454 /nfs/dbraw/zinc/57/64/54/507576454.db2.gz UHJPKQQLYSOKQD-HZPDHXFCSA-N 1 2 357.429 3.162 40 0 FGABLO Cc1ccccc1C[N@H+]1CCc2oc(C(=O)N[C@@H]3CC[C@@H](F)C3)nc2C1 ZINC000585112714 507576465 /nfs/dbraw/zinc/57/64/65/507576465.db2.gz UHJPKQQLYSOKQD-HZPDHXFCSA-N 1 2 357.429 3.162 40 0 FGABLO COc1cccc2c1OC1(CC[NH+](Cc3c[nH]cn3)CC1)[C@H]1CCCO[C@H]21 ZINC000257297501 533895417 /nfs/dbraw/zinc/89/54/17/533895417.db2.gz RHNCZIHKKONFLW-PKOBYXMFSA-N 1 2 369.465 3.313 40 0 FGABLO COc1cccc2c1OC1(CC[NH+](Cc3cnc[nH]3)CC1)[C@H]1CCCO[C@H]21 ZINC000257297501 533895420 /nfs/dbraw/zinc/89/54/20/533895420.db2.gz RHNCZIHKKONFLW-PKOBYXMFSA-N 1 2 369.465 3.313 40 0 FGABLO COc1ccc(-c2nc(N3C[C@@H](C)O[C@H](C)C3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012221186 536525238 /nfs/dbraw/zinc/52/52/38/536525238.db2.gz ONXFMJMBSLBYDH-ZIAGYGMSSA-N 1 2 365.437 3.156 40 0 FGABLO CC[C@@H](C)Nc1nc(NCc2ccccc2OC)cc(-c2ccncc2)[nH+]1 ZINC000329014873 210130321 /nfs/dbraw/zinc/13/03/21/210130321.db2.gz MZDUQBATKYPGEU-OAHLLOKOSA-N 1 2 363.465 3.214 40 0 FGABLO CC(C)[C@H](CO)Nc1nc(NCc2ccccc2)cc(-c2cccnc2)[nH+]1 ZINC000328972164 210126720 /nfs/dbraw/zinc/12/67/20/210126720.db2.gz DUOHDUZGPRTIJO-IBGZPJMESA-N 1 2 363.465 3.001 40 0 FGABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000306130882 210052340 /nfs/dbraw/zinc/05/23/40/210052340.db2.gz JRTOXQNYQLDZDW-UYAOXDASSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000306130882 210052344 /nfs/dbraw/zinc/05/23/44/210052344.db2.gz JRTOXQNYQLDZDW-UYAOXDASSA-N 1 2 366.442 3.097 40 0 FGABLO c1c([C@H]2C[N@H+](Cc3ccccn3)CCO2)nc2cccc(-c3ccncc3)n12 ZINC000306126508 210048966 /nfs/dbraw/zinc/04/89/66/210048966.db2.gz DXZROWAGQPIGHN-OAQYLSRUSA-N 1 2 371.444 3.365 40 0 FGABLO c1c([C@H]2C[N@@H+](Cc3ccccn3)CCO2)nc2cccc(-c3ccncc3)n12 ZINC000306126508 210048970 /nfs/dbraw/zinc/04/89/70/210048970.db2.gz DXZROWAGQPIGHN-OAQYLSRUSA-N 1 2 371.444 3.365 40 0 FGABLO Cc1ccccc1-n1ncc2c1nc[nH+]c2SCC(=O)NC1CCCC1 ZINC000001346284 219397146 /nfs/dbraw/zinc/39/71/46/219397146.db2.gz CSIFYXOOKRNMDW-UHFFFAOYSA-N 1 2 367.478 3.275 40 0 FGABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000257212875 223021063 /nfs/dbraw/zinc/02/10/63/223021063.db2.gz CFGZEIAULUEAMA-HXUWFJFHSA-N 1 2 352.413 3.195 40 0 FGABLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000257212875 223021068 /nfs/dbraw/zinc/02/10/68/223021068.db2.gz CFGZEIAULUEAMA-HXUWFJFHSA-N 1 2 352.413 3.195 40 0 FGABLO Oc1cccc2c1OC1(CC[NH+](Cc3cc[nH]n3)CC1)[C@H]1CCCO[C@H]21 ZINC000257258053 223040554 /nfs/dbraw/zinc/04/05/54/223040554.db2.gz KSFDZPPCDCPOIZ-FUHWJXTLSA-N 1 2 355.438 3.010 40 0 FGABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000257307728 223060582 /nfs/dbraw/zinc/06/05/82/223060582.db2.gz SZZOHFDAAPXCAC-MRXNPFEDSA-N 1 2 363.469 3.037 40 0 FGABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000257307728 223060585 /nfs/dbraw/zinc/06/05/85/223060585.db2.gz SZZOHFDAAPXCAC-MRXNPFEDSA-N 1 2 363.469 3.037 40 0 FGABLO COc1ccc(C(=O)C2CC[NH+](CC(=O)NC3CCCCC3)CC2)cc1 ZINC000014325277 220122603 /nfs/dbraw/zinc/12/26/03/220122603.db2.gz SVEGOIKLIBLMRE-UHFFFAOYSA-N 1 2 358.482 3.039 40 0 FGABLO O=C1[C@@H](C2CC[NH+](Cc3ncc[nH]3)CC2)CCCCN1Cc1ccccc1 ZINC000019744900 211253304 /nfs/dbraw/zinc/25/33/04/211253304.db2.gz RVSXLPZGFAXJAS-HXUWFJFHSA-N 1 2 366.509 3.451 40 0 FGABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)Nc2nnc(C)s2)C1 ZINC000019524414 211229164 /nfs/dbraw/zinc/22/91/64/211229164.db2.gz BRINAVYOFKZJLT-CYBMUJFWSA-N 1 2 370.482 3.071 40 0 FGABLO O=c1[nH]c2cc3c(cc2cc1CNc1ccc([NH+]2CCCC2)cc1)OCO3 ZINC000019335602 211216292 /nfs/dbraw/zinc/21/62/92/211216292.db2.gz RJVKRJIWQLDGBL-UHFFFAOYSA-N 1 2 363.417 3.469 40 0 FGABLO COc1c(C)cccc1C[N@@H+]1CC[C@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000013227618 211028398 /nfs/dbraw/zinc/02/83/98/211028398.db2.gz OSNJJUSZNPTYAG-INIZCTEOSA-N 1 2 366.465 3.358 40 0 FGABLO COc1c(C)cccc1C[N@H+]1CC[C@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000013227618 211028401 /nfs/dbraw/zinc/02/84/01/211028401.db2.gz OSNJJUSZNPTYAG-INIZCTEOSA-N 1 2 366.465 3.358 40 0 FGABLO CC(C)N1C[NH+]=C2N[C@@H]([C@H]3CC=CCC3)n3c4ccccc4nc3N2C1 ZINC000020556160 220332589 /nfs/dbraw/zinc/33/25/89/220332589.db2.gz WLPPVRIIWXMKSQ-MAUKXSAKSA-N 1 2 350.470 3.296 40 0 FGABLO Fc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc4c(c3)OCO4)n2)nc1 ZINC000049155395 221020210 /nfs/dbraw/zinc/02/02/10/221020210.db2.gz GROPXVHSEGMISR-HNNXBMFYSA-N 1 2 368.368 3.337 40 0 biogenic,in-vitro FGABLO Fc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc4c(c3)OCO4)n2)nc1 ZINC000049155395 221020214 /nfs/dbraw/zinc/02/02/14/221020214.db2.gz GROPXVHSEGMISR-HNNXBMFYSA-N 1 2 368.368 3.337 40 0 biogenic,in-vitro FGABLO O=C(Cc1cccc(Cl)c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000067901086 221302388 /nfs/dbraw/zinc/30/23/88/221302388.db2.gz BWJGDULRRRMTQH-UHFFFAOYSA-N 1 2 358.869 3.031 40 0 FGABLO COC(=O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]cn1)C2 ZINC000328957676 132371782 /nfs/dbraw/zinc/37/17/82/132371782.db2.gz AKRQRBQVBBJCFR-UHFFFAOYSA-N 1 2 374.444 3.438 40 0 FGABLO COC(=O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc[nH+]1)C2 ZINC000328957676 132371783 /nfs/dbraw/zinc/37/17/83/132371783.db2.gz AKRQRBQVBBJCFR-UHFFFAOYSA-N 1 2 374.444 3.438 40 0 FGABLO CCC[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057669679 136129934 /nfs/dbraw/zinc/12/99/34/136129934.db2.gz ZVOQNUQVBKZUOX-KRWDZBQOSA-N 1 2 360.481 3.231 40 0 FGABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000096111897 222029973 /nfs/dbraw/zinc/02/99/73/222029973.db2.gz VNCCLOAKTBMGTE-PXNSSMCTSA-N 1 2 359.429 3.233 40 0 biogenic,in-vitro FGABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000096111897 222029975 /nfs/dbraw/zinc/02/99/75/222029975.db2.gz VNCCLOAKTBMGTE-PXNSSMCTSA-N 1 2 359.429 3.233 40 0 biogenic,in-vitro FGABLO Cc1cccnc1C[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3cc(F)ccc3[nH]2)C1 ZINC000096112244 222030026 /nfs/dbraw/zinc/03/00/26/222030026.db2.gz RYDBDOTWZRNPIK-KDOFPFPSSA-N 1 2 358.392 3.145 40 0 biogenic,in-vitro FGABLO Cc1cccnc1C[N@H+]1C[C@@H](F)[C@@H](OCc2nc3cc(F)ccc3[nH]2)C1 ZINC000096112244 222030030 /nfs/dbraw/zinc/03/00/30/222030030.db2.gz RYDBDOTWZRNPIK-KDOFPFPSSA-N 1 2 358.392 3.145 40 0 biogenic,in-vitro FGABLO CC1CC[NH+]([C@@H](c2nnnn2CCc2ccccc2)c2ccccn2)CC1 ZINC000004925323 493900894 /nfs/dbraw/zinc/90/08/94/493900894.db2.gz ZBSVYZQFGHPURA-HXUWFJFHSA-N 1 2 362.481 3.132 40 0 FGABLO CCc1[nH]c2ccc(NC(=O)COc3ccc4nsnc4c3)cc2[nH+]1 ZINC000036741120 494097357 /nfs/dbraw/zinc/09/73/57/494097357.db2.gz KFHXLQVGKFHBQW-UHFFFAOYSA-N 1 2 353.407 3.148 40 0 FGABLO O=C(c1ccccc1)N1CCCC[C@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216259 494144252 /nfs/dbraw/zinc/14/42/52/494144252.db2.gz ZANPFZOZXKZZIB-IBGZPJMESA-N 1 2 351.450 3.286 40 0 FGABLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)cc(OC)c1OC ZINC000072340960 494155288 /nfs/dbraw/zinc/15/52/88/494155288.db2.gz QQFXOUAJQMTQSA-PBHICJAKSA-N 1 2 355.438 3.073 40 0 FGABLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)cc(OC)c1OC ZINC000072340960 494155292 /nfs/dbraw/zinc/15/52/92/494155292.db2.gz QQFXOUAJQMTQSA-PBHICJAKSA-N 1 2 355.438 3.073 40 0 FGABLO O=C(COc1ccccc1)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378591 494160911 /nfs/dbraw/zinc/16/09/11/494160911.db2.gz KITCDZLMDLUPCR-QGZVFWFLSA-N 1 2 362.433 3.052 40 0 FGABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)Cc2ccccc2)n1 ZINC000072378439 494161143 /nfs/dbraw/zinc/16/11/43/494161143.db2.gz HTIFYBILYNOPIO-GOSISDBHSA-N 1 2 361.449 3.131 40 0 FGABLO Cc1ncccc1Oc1nccnc1[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000072384347 494161661 /nfs/dbraw/zinc/16/16/61/494161661.db2.gz CHVVADLDRPKYFT-HNNXBMFYSA-N 1 2 350.426 3.075 40 0 FGABLO Cc1ncccc1Oc1nccnc1[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000072384347 494161664 /nfs/dbraw/zinc/16/16/64/494161664.db2.gz CHVVADLDRPKYFT-HNNXBMFYSA-N 1 2 350.426 3.075 40 0 FGABLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000012115008 494205146 /nfs/dbraw/zinc/20/51/46/494205146.db2.gz ZCROMCCSNPPBFF-GOSISDBHSA-N 1 2 359.351 3.286 40 0 FGABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2Cl)C3)CC1 ZINC000019496965 494446107 /nfs/dbraw/zinc/44/61/07/494446107.db2.gz MQXHNQOPAHSIGY-UHFFFAOYSA-N 1 2 372.900 3.218 40 0 FGABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2Cl)C3)CC1 ZINC000019496965 494446109 /nfs/dbraw/zinc/44/61/09/494446109.db2.gz MQXHNQOPAHSIGY-UHFFFAOYSA-N 1 2 372.900 3.218 40 0 FGABLO O=C(NC[C@H]1C[N@H+](Cc2cccc3ccccc32)Cc2cncn21)C1CC1 ZINC000247516686 496878081 /nfs/dbraw/zinc/87/80/81/496878081.db2.gz VYWRBKSXESTRNU-FQEVSTJZSA-N 1 2 360.461 3.119 40 0 FGABLO O=C(NC[C@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2cncn21)C1CC1 ZINC000247516686 496878088 /nfs/dbraw/zinc/87/80/88/496878088.db2.gz VYWRBKSXESTRNU-FQEVSTJZSA-N 1 2 360.461 3.119 40 0 FGABLO O=C(NC[C@H]1CN(Cc2cccc3ccccc32)Cc2c[nH+]cn21)C1CC1 ZINC000247516686 496878093 /nfs/dbraw/zinc/87/80/93/496878093.db2.gz VYWRBKSXESTRNU-FQEVSTJZSA-N 1 2 360.461 3.119 40 0 FGABLO O=C(c1cc(C2CC2)on1)N1Cc2c[nH+]cn2[C@@H](COCC2CCCC2)C1 ZINC000247854238 496921565 /nfs/dbraw/zinc/92/15/65/496921565.db2.gz JVINVRAZJRHYPK-QGZVFWFLSA-N 1 2 370.453 3.152 40 0 FGABLO CCn1cc(C[N@H+]2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)cn1 ZINC000249689151 497233001 /nfs/dbraw/zinc/23/30/01/497233001.db2.gz IWXMPQPBRQAEJA-NRFANRHFSA-N 1 2 372.513 3.095 40 0 FGABLO CCn1cc(C[N@@H+]2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)cn1 ZINC000249689151 497233006 /nfs/dbraw/zinc/23/30/06/497233006.db2.gz IWXMPQPBRQAEJA-NRFANRHFSA-N 1 2 372.513 3.095 40 0 FGABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCC)n[n+]2[C@H]1CC ZINC000261361604 497407616 /nfs/dbraw/zinc/40/76/16/497407616.db2.gz AFKVKYAAKKSQOD-AWEZNQCLSA-O 1 2 359.475 3.304 40 0 FGABLO CNc1nc(NCc2ccco2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329034295 499021746 /nfs/dbraw/zinc/02/17/46/499021746.db2.gz QXKIVYSSOUPQIQ-UHFFFAOYSA-N 1 2 364.327 3.133 40 0 FGABLO Cc1cccc(CO[C@@H]2CCOC3(C[NH+](Cc4cccc(C)n4)C3)C2)n1 ZINC000585104459 507570295 /nfs/dbraw/zinc/57/02/95/507570295.db2.gz IUQUSYFTESFEIR-HXUWFJFHSA-N 1 2 353.466 3.044 40 0 FGABLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC2(CC1)C[C@H](c1ccccc1)CCO2 ZINC000585291688 507585552 /nfs/dbraw/zinc/58/55/52/507585552.db2.gz RPWBTBUGTFBJGS-IPLHWJFFSA-N 1 2 351.450 3.378 40 0 FGABLO Cc1ccc2nc(C(=O)N3Cc4[nH+]ccn4C[C@H]3c3ccccc3)cn2c1 ZINC000257205259 534489036 /nfs/dbraw/zinc/48/90/36/534489036.db2.gz AYGDAKGCPUTUBS-SFHVURJKSA-N 1 2 357.417 3.237 40 0 FGABLO CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020107468 523228034 /nfs/dbraw/zinc/22/80/34/523228034.db2.gz WJUSYRGHVHXQGN-UHFFFAOYSA-N 1 2 358.869 3.444 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000306136756 534877441 /nfs/dbraw/zinc/87/74/41/534877441.db2.gz QCPMOKFQRUVQRI-ICSRJNTNSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000306136756 534877446 /nfs/dbraw/zinc/87/74/46/534877446.db2.gz QCPMOKFQRUVQRI-ICSRJNTNSA-N 1 2 366.442 3.097 40 0 FGABLO COc1cc2c(cc1O)C[C@@H]1c3c(c(OC)c(OC)c(OC)c3-2)CC[N@H+]1C ZINC000005741378 210179963 /nfs/dbraw/zinc/17/99/63/210179963.db2.gz QCMQEZNBBPGFKQ-CQSZACIVSA-N 1 2 371.433 3.179 40 0 FGABLO COc1cc2c(cc1O)C[C@@H]1c3c(c(OC)c(OC)c(OC)c3-2)CC[N@@H+]1C ZINC000005741378 210179967 /nfs/dbraw/zinc/17/99/67/210179967.db2.gz QCMQEZNBBPGFKQ-CQSZACIVSA-N 1 2 371.433 3.179 40 0 FGABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)cc1Cl ZINC000329022191 210131849 /nfs/dbraw/zinc/13/18/49/210131849.db2.gz OLQWQDACGRNLEI-UHFFFAOYSA-N 1 2 368.868 3.487 40 0 FGABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1F ZINC000329017919 210131860 /nfs/dbraw/zinc/13/18/60/210131860.db2.gz NNTJZBSUGZEETP-MRXNPFEDSA-N 1 2 360.433 3.096 40 0 FGABLO CCNc1nc(Nc2ccc(Br)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329015321 210130876 /nfs/dbraw/zinc/13/08/76/210130876.db2.gz NACHMMUKPYWKDP-UHFFFAOYSA-N 1 2 351.223 3.275 40 0 FGABLO Fc1ccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1F ZINC000328990396 210128284 /nfs/dbraw/zinc/12/82/84/210128284.db2.gz IPIASGOHRZXDLC-UHFFFAOYSA-N 1 2 352.388 3.452 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000306142341 210058451 /nfs/dbraw/zinc/05/84/51/210058451.db2.gz WWHSTHTWZRBVCL-QUCCMNQESA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000306142341 210058456 /nfs/dbraw/zinc/05/84/56/210058456.db2.gz WWHSTHTWZRBVCL-QUCCMNQESA-N 1 2 366.442 3.097 40 0 FGABLO c1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccccn5)CCO4)nnn3c2)cc1 ZINC000306131851 210052792 /nfs/dbraw/zinc/05/27/92/210052792.db2.gz KQUDLIOVFPCTGT-OAQYLSRUSA-N 1 2 371.444 3.365 40 0 FGABLO c1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccccn5)CCO4)nnn3c2)cc1 ZINC000306131851 210052787 /nfs/dbraw/zinc/05/27/87/210052787.db2.gz KQUDLIOVFPCTGT-OAQYLSRUSA-N 1 2 371.444 3.365 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000306135907 210054130 /nfs/dbraw/zinc/05/41/30/210054130.db2.gz PEFXIXSAPZSULI-VQIMIIECSA-N 1 2 355.415 3.295 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000306135907 210054133 /nfs/dbraw/zinc/05/41/33/210054133.db2.gz PEFXIXSAPZSULI-VQIMIIECSA-N 1 2 355.415 3.295 40 0 FGABLO CCN(C)C(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306135122 210054168 /nfs/dbraw/zinc/05/41/68/210054168.db2.gz OIMWITTTZZZXTP-SFHVURJKSA-N 1 2 363.465 3.158 40 0 FGABLO CCN(C)C(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306135122 210054172 /nfs/dbraw/zinc/05/41/72/210054172.db2.gz OIMWITTTZZZXTP-SFHVURJKSA-N 1 2 363.465 3.158 40 0 FGABLO Cc1cc(C)nc([C@@H]2C[N@H+](Cc3ccccc3N3CCCC3)CCO2)n1 ZINC000257287324 223051094 /nfs/dbraw/zinc/05/10/94/223051094.db2.gz PPLXJZBHFVPZNP-FQEVSTJZSA-N 1 2 352.482 3.267 40 0 FGABLO Cc1cc(C)nc([C@@H]2C[N@@H+](Cc3ccccc3N3CCCC3)CCO2)n1 ZINC000257287324 223051097 /nfs/dbraw/zinc/05/10/97/223051097.db2.gz PPLXJZBHFVPZNP-FQEVSTJZSA-N 1 2 352.482 3.267 40 0 FGABLO O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257321026 223064483 /nfs/dbraw/zinc/06/44/83/223064483.db2.gz VZTDWFIKNPCDNW-SFHVURJKSA-N 1 2 368.412 3.355 40 0 FGABLO Cc1[nH+]cc(-c2nccnc2C[C@H]2CCCN(C(=O)C(C)(C)C)C2)n1C ZINC000257319458 223064825 /nfs/dbraw/zinc/06/48/25/223064825.db2.gz VSQKRGDVDFCYNB-OAHLLOKOSA-N 1 2 355.486 3.013 40 0 FGABLO COc1cccc(OCC[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000019618892 211240560 /nfs/dbraw/zinc/24/05/60/211240560.db2.gz NJOJKRIDFHFUPR-UHFFFAOYSA-N 1 2 374.868 3.185 40 0 FGABLO Cc1ccc(OCCNc2cc(Cn3nnc4ccccc43)[nH+]c(C)n2)cc1 ZINC000019655509 211242348 /nfs/dbraw/zinc/24/23/48/211242348.db2.gz QPLVANZLZNTFHO-UHFFFAOYSA-N 1 2 374.448 3.377 40 0 FGABLO Cc1nn2c(nc(C)c(C)c2NCC[NH+]2CCOCC2)c1-c1cccs1 ZINC000019555642 211231601 /nfs/dbraw/zinc/23/16/01/211231601.db2.gz JKGMSCSPBVSTCS-UHFFFAOYSA-N 1 2 371.510 3.127 40 0 FGABLO CC[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1)n1nc(C)cc1C ZINC000019499471 211225439 /nfs/dbraw/zinc/22/54/39/211225439.db2.gz NCUDUPHAEAIDTR-QZTJIDSGSA-N 1 2 369.444 3.229 40 0 FGABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccnc(N3CCCC3)c2)cc[nH+]1 ZINC000257252828 533053400 /nfs/dbraw/zinc/05/34/00/533053400.db2.gz JWGAKWXDKVWJDC-KRWDZBQOSA-N 1 2 351.454 3.096 40 0 FGABLO CC[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057669456 136129653 /nfs/dbraw/zinc/12/96/53/136129653.db2.gz OWFBURJIQKUMOF-IBGZPJMESA-N 1 2 354.502 3.452 40 0 FGABLO CC[C@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057669846 136129791 /nfs/dbraw/zinc/12/97/91/136129791.db2.gz URBDYWDZPXYJLN-QGZVFWFLSA-N 1 2 360.481 3.231 40 0 FGABLO Cc1cc2nc(CO[C@H]3C[N@H+](Cc4ccncc4)C[C@H]3F)[nH]c2cc1C ZINC000096112344 222029319 /nfs/dbraw/zinc/02/93/19/222029319.db2.gz QQIQHEAEIQAZFZ-APWZRJJASA-N 1 2 354.429 3.314 40 0 biogenic,in-vitro FGABLO Cc1cc2nc(CO[C@H]3C[N@@H+](Cc4ccncc4)C[C@H]3F)[nH]c2cc1C ZINC000096112344 222029322 /nfs/dbraw/zinc/02/93/22/222029322.db2.gz QQIQHEAEIQAZFZ-APWZRJJASA-N 1 2 354.429 3.314 40 0 biogenic,in-vitro FGABLO COc1cccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1OC ZINC000049934300 493886102 /nfs/dbraw/zinc/88/61/02/493886102.db2.gz DVTDUEZMVNXWHZ-JXMROGBWSA-N 1 2 366.461 3.175 40 0 FGABLO CC(C)c1ccc2[nH]c3nc(SCC[NH+]4CCOCC4)nnc3c2c1 ZINC000035314388 494073871 /nfs/dbraw/zinc/07/38/71/494073871.db2.gz BZDGPHHZNOLFIL-UHFFFAOYSA-N 1 2 357.483 3.054 40 0 FGABLO COc1ccc(C[N@H+]2C[C@@H]3C(c4ccccc4F)=NO[C@@H]3C2)cc1OC ZINC000072343300 494154988 /nfs/dbraw/zinc/15/49/88/494154988.db2.gz KUXNHKSWJHECTQ-HNAYVOBHSA-N 1 2 356.397 3.078 40 0 FGABLO COc1ccc(C[N@@H+]2C[C@@H]3C(c4ccccc4F)=NO[C@@H]3C2)cc1OC ZINC000072343300 494154991 /nfs/dbraw/zinc/15/49/91/494154991.db2.gz KUXNHKSWJHECTQ-HNAYVOBHSA-N 1 2 356.397 3.078 40 0 FGABLO O=C(C[NH+]1CCC(c2ccc3c(c2)OCO3)CC1)Nc1ccccc1F ZINC000012113988 494204917 /nfs/dbraw/zinc/20/49/17/494204917.db2.gz XGVNGUXCZDVZMJ-UHFFFAOYSA-N 1 2 356.397 3.373 40 0 FGABLO O=C(N[C@@H]1CCCc2ccccc21)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044901127 494387464 /nfs/dbraw/zinc/38/74/64/494387464.db2.gz WOZHPUBOYHZQJK-OAQYLSRUSA-N 1 2 350.462 3.326 40 0 FGABLO CCOc1ccc(-c2nnc([C@H]([NH3+])c3ccc(F)cc3)[nH]2)cc1OCC ZINC000095533366 494989052 /nfs/dbraw/zinc/98/90/52/494989052.db2.gz COBHKXDLWDTXQG-QGZVFWFLSA-N 1 2 356.401 3.456 40 0 FGABLO COC[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045110 494998233 /nfs/dbraw/zinc/99/82/33/494998233.db2.gz VHBZBXLUIXTHSI-LFAOLKIESA-N 1 2 357.479 3.140 40 0 FGABLO COc1cccc(C[NH+]2CC3(C2)OCC[C@H]3CCOCc2ccccn2)c1 ZINC000247881241 496924661 /nfs/dbraw/zinc/92/46/61/496924661.db2.gz JFLJLYNRZFXHBM-LJQANCHMSA-N 1 2 368.477 3.288 40 0 FGABLO C[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)CCC2 ZINC000223153962 497032134 /nfs/dbraw/zinc/03/21/34/497032134.db2.gz RGUMQVSPKQODOJ-KRWDZBQOSA-N 1 2 364.489 3.499 40 0 FGABLO Cc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)[NH+]=C3N=CNN32)s1 ZINC000408628293 499593478 /nfs/dbraw/zinc/59/34/78/499593478.db2.gz WBIQBINCDQBGRE-MRXNPFEDSA-N 1 2 351.435 3.228 40 0 FGABLO Cc1cccc(CO[C@H]2CCOC3(C[NH+](Cc4cccc(C)n4)C3)C2)n1 ZINC000585104456 507570380 /nfs/dbraw/zinc/57/03/80/507570380.db2.gz IUQUSYFTESFEIR-FQEVSTJZSA-N 1 2 353.466 3.044 40 0 FGABLO O=C(CN1CC[NH+](C/C=C\c2ccccc2)CC1)Nc1ccc(F)cc1F ZINC000020469954 526768373 /nfs/dbraw/zinc/76/83/73/526768373.db2.gz VPAKEMMZRFHHGU-DAXSKMNVSA-N 1 2 371.431 3.234 40 0 FGABLO CC[C@H](C)Nc1nc(NCc2cccc(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329066157 210135513 /nfs/dbraw/zinc/13/55/13/210135513.db2.gz XXSJEIPANUEHDL-AWEZNQCLSA-N 1 2 351.429 3.344 40 0 FGABLO OCCCNc1nc(Nc2cc(Cl)ccc2F)cc(-c2ccccc2)[nH+]1 ZINC000329072227 210135344 /nfs/dbraw/zinc/13/53/44/210135344.db2.gz ZWGLMNZQEIPKIV-UHFFFAOYSA-N 1 2 372.831 3.318 40 0 FGABLO OCCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329030195 210130237 /nfs/dbraw/zinc/13/02/37/210130237.db2.gz QCDCJKRTZHGQTK-UHFFFAOYSA-N 1 2 372.778 3.018 40 0 FGABLO C[C@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000328983668 210128878 /nfs/dbraw/zinc/12/88/78/210128878.db2.gz HHXUYTGVINKMDA-SNVBAGLBSA-N 1 2 352.360 3.331 40 0 FGABLO CC(C)[C@H](CO)Nc1nc(Nc2c(F)cc(F)cc2F)cc(C2CC2)[nH+]1 ZINC000329004319 210128923 /nfs/dbraw/zinc/12/89/23/210128923.db2.gz KRJNHWAAAZOAFG-HNNXBMFYSA-N 1 2 366.387 3.366 40 0 FGABLO c1cc(CCNc2cc(-c3ccncc3)[nH+]c(NC3CCCCC3)n2)ccn1 ZINC000328969022 210126473 /nfs/dbraw/zinc/12/64/73/210126473.db2.gz DBVJDNOOQSEEEW-UHFFFAOYSA-N 1 2 374.492 3.177 40 0 FGABLO O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257219026 223025810 /nfs/dbraw/zinc/02/58/10/223025810.db2.gz DFICFHRBOVMSDX-GOSISDBHSA-N 1 2 368.412 3.355 40 0 FGABLO C[N@@H+]1C[C@@H](NC(=O)c2cccs2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529964 220003418 /nfs/dbraw/zinc/00/34/18/220003418.db2.gz FEDJRPVPPYIQKF-KBPBESRZSA-N 1 2 372.425 3.112 40 0 biogenic,in-vitro FGABLO C[N@H+]1C[C@@H](NC(=O)c2cccs2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529964 220003419 /nfs/dbraw/zinc/00/34/19/220003419.db2.gz FEDJRPVPPYIQKF-KBPBESRZSA-N 1 2 372.425 3.112 40 0 biogenic,in-vitro FGABLO COc1ccc(CN2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019589018 211237113 /nfs/dbraw/zinc/23/71/13/211237113.db2.gz ANCXNGVSIKROGV-HXUWFJFHSA-N 1 2 352.482 3.200 40 0 FGABLO COc1ccc(CN2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019589018 211237120 /nfs/dbraw/zinc/23/71/20/211237120.db2.gz ANCXNGVSIKROGV-HXUWFJFHSA-N 1 2 352.482 3.200 40 0 FGABLO CCn1c[nH+]cc1CN(Cc1cccc(OC)c1OC)C[C@@H]1CCCO1 ZINC000019578549 211234950 /nfs/dbraw/zinc/23/49/50/211234950.db2.gz IXLXDBGRERUDTA-SFHVURJKSA-N 1 2 359.470 3.101 40 0 FGABLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c(F)c1 ZINC000019551729 211230833 /nfs/dbraw/zinc/23/08/33/211230833.db2.gz MNFSXJBLCUCKRA-MGPUTAFESA-N 1 2 368.456 3.486 40 0 FGABLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c(F)c1 ZINC000019551729 211230839 /nfs/dbraw/zinc/23/08/39/211230839.db2.gz MNFSXJBLCUCKRA-MGPUTAFESA-N 1 2 368.456 3.486 40 0 FGABLO CCc1[nH+]c2cc(NC(=O)c3cc4c([nH]c3=O)CCCCC4)ccc2n1C ZINC000019523195 211228744 /nfs/dbraw/zinc/22/87/44/211228744.db2.gz OFPGONQVOLOZOF-UHFFFAOYSA-N 1 2 364.449 3.345 40 0 FGABLO CC(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)ncc2C1 ZINC000019018277 211200689 /nfs/dbraw/zinc/20/06/89/211200689.db2.gz SCVWNJVHNMXCAE-FQEVSTJZSA-N 1 2 368.456 3.248 40 0 FGABLO CC(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)ncc2C1 ZINC000019018277 211200693 /nfs/dbraw/zinc/20/06/93/211200693.db2.gz SCVWNJVHNMXCAE-FQEVSTJZSA-N 1 2 368.456 3.248 40 0 FGABLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](CCO)Cc1cccnc1 ZINC000019237582 211208275 /nfs/dbraw/zinc/20/82/75/211208275.db2.gz MNPKAWOYONBQJN-UHFFFAOYSA-N 1 2 350.466 3.187 40 0 FGABLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](CCO)Cc1cccnc1 ZINC000019237582 211208278 /nfs/dbraw/zinc/20/82/78/211208278.db2.gz MNPKAWOYONBQJN-UHFFFAOYSA-N 1 2 350.466 3.187 40 0 FGABLO O=C(NCCc1ccc(Cl)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068370452 221315029 /nfs/dbraw/zinc/31/50/29/221315029.db2.gz ONTMJCMPLRZETI-UHFFFAOYSA-N 1 2 358.869 3.145 40 0 FGABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1cnc3ccccc3c1)C2 ZINC000096111898 222029714 /nfs/dbraw/zinc/02/97/14/222029714.db2.gz FACANZVDRLWLGN-PXNSSMCTSA-N 1 2 359.429 3.233 40 0 biogenic,in-vitro FGABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1cnc3ccccc3c1)C2 ZINC000096111898 222029715 /nfs/dbraw/zinc/02/97/15/222029715.db2.gz FACANZVDRLWLGN-PXNSSMCTSA-N 1 2 359.429 3.233 40 0 biogenic,in-vitro FGABLO CCOC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2nn(CC3CC3)cc21 ZINC000096060482 222007994 /nfs/dbraw/zinc/00/79/94/222007994.db2.gz AONWEROYPQRLPQ-SFHVURJKSA-N 1 2 355.482 3.438 40 0 FGABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2nn(CC3CC3)cc21 ZINC000096060482 222007996 /nfs/dbraw/zinc/00/79/96/222007996.db2.gz AONWEROYPQRLPQ-SFHVURJKSA-N 1 2 355.482 3.438 40 0 FGABLO Cc1nc(COC[C@H]2CN(Cc3ccco3)Cc3[nH+]cn(C)c32)cs1 ZINC000096068658 222010479 /nfs/dbraw/zinc/01/04/79/222010479.db2.gz YTENBCATBNIQNY-CQSZACIVSA-N 1 2 358.467 3.094 40 0 FGABLO CCCS(=O)(=O)N1CCC2(CCn3c(-c4ccccc4)c[nH+]c32)CC1 ZINC000096243529 222098822 /nfs/dbraw/zinc/09/88/22/222098822.db2.gz FNQJAEJNMFHFTL-UHFFFAOYSA-N 1 2 359.495 3.027 40 0 FGABLO O=C(c1ccccc1)N1CC[C@@]2(C1)CCC[C@@H](CNc1cccc[nH+]1)O2 ZINC000096209933 222080147 /nfs/dbraw/zinc/08/01/47/222080147.db2.gz ZUCIOUJEKFRYLP-GHTZIAJQSA-N 1 2 351.450 3.348 40 0 FGABLO CC1CC[NH+]([C@H](c2nnnn2Cc2ccccc2)c2ccc(O)cc2)CC1 ZINC000004847731 493896137 /nfs/dbraw/zinc/89/61/37/493896137.db2.gz SZYWXNIAJGBZLQ-FQEVSTJZSA-N 1 2 363.465 3.248 40 0 FGABLO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccco3)n2)ccn1 ZINC000035424780 494076415 /nfs/dbraw/zinc/07/64/15/494076415.db2.gz BNCUKONFBGXOSA-INIZCTEOSA-N 1 2 370.409 3.087 40 0 biogenic,in-vitro FGABLO COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccco3)n2)ccn1 ZINC000035424780 494076418 /nfs/dbraw/zinc/07/64/18/494076418.db2.gz BNCUKONFBGXOSA-INIZCTEOSA-N 1 2 370.409 3.087 40 0 biogenic,in-vitro FGABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 ZINC000072378878 494160527 /nfs/dbraw/zinc/16/05/27/494160527.db2.gz IYTHNCLTCGTHCL-KRWDZBQOSA-N 1 2 361.449 3.245 40 0 FGABLO COc1ccccc1Oc1cncc([C@H]2CCCN2Cc2[nH+]ccn2C)n1 ZINC000072384210 494161968 /nfs/dbraw/zinc/16/19/68/494161968.db2.gz QVVSRHDNXVSSHT-MRXNPFEDSA-N 1 2 365.437 3.348 40 0 FGABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2ccccc2F)CC1 ZINC000012116323 494206063 /nfs/dbraw/zinc/20/60/63/494206063.db2.gz LTDOLGIGDFVNIV-UHFFFAOYSA-N 1 2 366.440 3.245 40 0 FGABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](Cc4ccc(F)cc4)C3)[nH]n2c1=O ZINC000012276388 494219187 /nfs/dbraw/zinc/21/91/87/494219187.db2.gz UIBKCHKBKJQITB-HNNXBMFYSA-N 1 2 354.429 3.434 40 0 FGABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)[nH]n2c1=O ZINC000012276388 494219190 /nfs/dbraw/zinc/21/91/90/494219190.db2.gz UIBKCHKBKJQITB-HNNXBMFYSA-N 1 2 354.429 3.434 40 0 FGABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(O)cc3)[nH]2)cc1OCC ZINC000095534531 494989618 /nfs/dbraw/zinc/98/96/18/494989618.db2.gz CCYRGKVBZGMAKP-QGZVFWFLSA-N 1 2 354.410 3.023 40 0 FGABLO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccc(O)cc3)n[nH]2)cc1OCC ZINC000095534531 494989623 /nfs/dbraw/zinc/98/96/23/494989623.db2.gz CCYRGKVBZGMAKP-QGZVFWFLSA-N 1 2 354.410 3.023 40 0 FGABLO CCOC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045140 494998263 /nfs/dbraw/zinc/99/82/63/494998263.db2.gz OZWBFAQUKMZXAI-INIZCTEOSA-N 1 2 359.495 3.060 40 0 FGABLO Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000130964213 495472531 /nfs/dbraw/zinc/47/25/31/495472531.db2.gz AVSPGWWFUZTAGU-UHFFFAOYSA-N 1 2 372.472 3.410 40 0 FGABLO Cc1cccc(CO[C@H]2Cn3nccc3C[N@H+](Cc3cccs3)C2)n1 ZINC000247851602 496920920 /nfs/dbraw/zinc/92/09/20/496920920.db2.gz APTIPASRZPSGCJ-GOSISDBHSA-N 1 2 354.479 3.249 40 0 FGABLO Cc1cccc(CO[C@H]2Cn3nccc3C[N@@H+](Cc3cccs3)C2)n1 ZINC000247851602 496920926 /nfs/dbraw/zinc/92/09/26/496920926.db2.gz APTIPASRZPSGCJ-GOSISDBHSA-N 1 2 354.479 3.249 40 0 FGABLO O=C(CC1CC1)NCC[C@@H]1CCOC12C[NH+](Cc1ccccc1Cl)C2 ZINC000247856488 496921235 /nfs/dbraw/zinc/92/12/35/496921235.db2.gz KVHZVYMHDLWEAW-QGZVFWFLSA-N 1 2 362.901 3.237 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3cncn3[C@@H](COCc3ccncc3)C2)s1 ZINC000248082089 496952879 /nfs/dbraw/zinc/95/28/79/496952879.db2.gz JEEOHUOBEDNMMU-GOSISDBHSA-N 1 2 354.479 3.422 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3cncn3[C@@H](COCc3ccncc3)C2)s1 ZINC000248082089 496952886 /nfs/dbraw/zinc/95/28/86/496952886.db2.gz JEEOHUOBEDNMMU-GOSISDBHSA-N 1 2 354.479 3.422 40 0 FGABLO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000216440238 496989863 /nfs/dbraw/zinc/98/98/63/496989863.db2.gz WUZNAWMNFHOHTL-HXUWFJFHSA-N 1 2 365.433 3.355 40 0 FGABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCC)n[n+]2[C@@H]1CC ZINC000261361606 497407166 /nfs/dbraw/zinc/40/71/66/497407166.db2.gz AFKVKYAAKKSQOD-CQSZACIVSA-O 1 2 359.475 3.304 40 0 FGABLO CC(C)n1cc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CS3)cn1 ZINC000585103983 507571490 /nfs/dbraw/zinc/57/14/90/507571490.db2.gz FHCXJZSGUKXOOL-GOSISDBHSA-N 1 2 358.511 3.136 40 0 FGABLO COc1cc(-c2nncn2-c2ccc([NH+](C)C)cc2)cc(OC)c1OC ZINC000035259115 210185347 /nfs/dbraw/zinc/18/53/47/210185347.db2.gz DKANEJFKMCHMNG-UHFFFAOYSA-N 1 2 354.410 3.026 40 0 FGABLO CCNc1nc(Nc2cc(OC)cc(OC)c2)cc(-c2ccccc2)[nH+]1 ZINC000329058405 210132768 /nfs/dbraw/zinc/13/27/68/210132768.db2.gz WCQKYSNWSWSKFB-UHFFFAOYSA-N 1 2 350.422 3.180 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000306125405 210048141 /nfs/dbraw/zinc/04/81/41/210048141.db2.gz CPJQCXSRBTXWSX-FXAWDEMLSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000306125405 210048146 /nfs/dbraw/zinc/04/81/46/210048146.db2.gz CPJQCXSRBTXWSX-FXAWDEMLSA-N 1 2 366.442 3.097 40 0 FGABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](CCOc1ccccn1)CCO2 ZINC000247997383 222958260 /nfs/dbraw/zinc/95/82/60/222958260.db2.gz ANNRGHUYOUFJLZ-MRXNPFEDSA-N 1 2 359.495 3.297 40 0 FGABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](CCOc1cncc(C)n1)CCO2 ZINC000253601105 222996049 /nfs/dbraw/zinc/99/60/49/222996049.db2.gz JLONACZDUUKBNK-INIZCTEOSA-N 1 2 374.510 3.000 40 0 FGABLO Cc1[nH+]cc(-c2nccnc2[C@H]2CCCN(C(=O)c3cccs3)C2)n1C ZINC000257215672 223023074 /nfs/dbraw/zinc/02/30/74/223023074.db2.gz CRECBCXWUWTTRX-AWEZNQCLSA-N 1 2 367.478 3.267 40 0 FGABLO Cc1cccc2nc(C(=O)N3Cc4[nH+]ccn4C[C@H]3c3ccccc3)cn21 ZINC000257278076 223047778 /nfs/dbraw/zinc/04/77/78/223047778.db2.gz OARNGGJALLPXNQ-SFHVURJKSA-N 1 2 357.417 3.237 40 0 FGABLO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3C(C)C)cc2)nc(OC)n1 ZINC000019454517 211223164 /nfs/dbraw/zinc/22/31/64/211223164.db2.gz GFECAAAHEZQNRN-UHFFFAOYSA-N 1 2 367.409 3.055 40 0 FGABLO C[C@@H]1C[N@H+](Cc2ccccc2F)CCN1Cc1ccc2nccnc2c1 ZINC000019574557 211234644 /nfs/dbraw/zinc/23/46/44/211234644.db2.gz SFWAPDXMIXHOFP-MRXNPFEDSA-N 1 2 350.441 3.475 40 0 FGABLO C[C@@H]1C[N@@H+](Cc2ccccc2F)CCN1Cc1ccc2nccnc2c1 ZINC000019574557 211234645 /nfs/dbraw/zinc/23/46/45/211234645.db2.gz SFWAPDXMIXHOFP-MRXNPFEDSA-N 1 2 350.441 3.475 40 0 FGABLO Cc1[nH+]c(C2CCN(C(=O)c3cnc(C)nc3C)CC2)c2sccn12 ZINC000019552401 211231695 /nfs/dbraw/zinc/23/16/95/211231695.db2.gz QYYZTHWQOYRNNE-UHFFFAOYSA-N 1 2 355.467 3.131 40 0 FGABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](Cc1cccc(Cl)c1)C2 ZINC000019293428 211213267 /nfs/dbraw/zinc/21/32/67/211213267.db2.gz JHAWPXIXFBXUCO-UHFFFAOYSA-N 1 2 352.825 3.044 40 0 FGABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000019293428 211213260 /nfs/dbraw/zinc/21/32/60/211213260.db2.gz JHAWPXIXFBXUCO-UHFFFAOYSA-N 1 2 352.825 3.044 40 0 FGABLO Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Cn1c(C)[nH+]c2cc(C)c(C)cc21 ZINC000019125214 211204214 /nfs/dbraw/zinc/20/42/14/211204214.db2.gz QPARZDPNRJKAGM-CYBMUJFWSA-N 1 2 353.470 3.189 40 0 FGABLO COc1ccccc1[C@H](C)NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000018086209 211189958 /nfs/dbraw/zinc/18/99/58/211189958.db2.gz XKTVZLHYUONBSS-INIZCTEOSA-N 1 2 354.450 3.018 40 0 FGABLO Nc1nc[nH+]c(N)c1NC(=O)c1ccc(SCc2ccccc2)cc1 ZINC000001745662 210368421 /nfs/dbraw/zinc/36/84/21/210368421.db2.gz OQZYBSQLFGQEOR-UHFFFAOYSA-N 1 2 351.435 3.186 40 0 FGABLO Cc1noc([C@@H]2C[C@H](NC(=O)c3ccc(-c4ccccc4)cc3)C[N@H+]2C)n1 ZINC000020464343 220328339 /nfs/dbraw/zinc/32/83/39/220328339.db2.gz PYHZISPYDZLROP-OALUTQOASA-N 1 2 362.433 3.220 40 0 biogenic,in-vitro FGABLO Cc1noc([C@@H]2C[C@H](NC(=O)c3ccc(-c4ccccc4)cc3)C[N@@H+]2C)n1 ZINC000020464343 220328341 /nfs/dbraw/zinc/32/83/41/220328341.db2.gz PYHZISPYDZLROP-OALUTQOASA-N 1 2 362.433 3.220 40 0 biogenic,in-vitro FGABLO Cc1c[nH]c(-c2cc(C)nc(CC3CCN(c4cc(C)[nH+]cn4)CC3)n2)n1 ZINC000257276745 132296524 /nfs/dbraw/zinc/29/65/24/132296524.db2.gz NUYAUFCWNTXQKX-UHFFFAOYSA-N 1 2 363.469 3.041 40 0 FGABLO CNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328982860 132372068 /nfs/dbraw/zinc/37/20/68/132372068.db2.gz HDEHIJUOZHWUEQ-UHFFFAOYSA-N 1 2 361.449 3.187 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3nccn3C[C@H](COCc3cccnc3)C2)o1 ZINC000096059147 222006870 /nfs/dbraw/zinc/00/68/70/222006870.db2.gz GZDMJLIICIZTKD-GOSISDBHSA-N 1 2 352.438 3.028 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3nccn3C[C@H](COCc3cccnc3)C2)o1 ZINC000096059147 222006874 /nfs/dbraw/zinc/00/68/74/222006874.db2.gz GZDMJLIICIZTKD-GOSISDBHSA-N 1 2 352.438 3.028 40 0 FGABLO CN(C)c1cc([C@@H]2c3ccccc3CCCN2C(=O)[C@H]2CCOC2)cc[nH+]1 ZINC000096087143 222018514 /nfs/dbraw/zinc/01/85/14/222018514.db2.gz RFCXIUNISPGZOO-GHTZIAJQSA-N 1 2 365.477 3.048 40 0 FGABLO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3OC)n2)cn1 ZINC000035425851 494076634 /nfs/dbraw/zinc/07/66/34/494076634.db2.gz GHMCAGVBVGPVIK-INIZCTEOSA-N 1 2 366.421 3.486 40 0 biogenic,in-vitro FGABLO COc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3OC)n2)cn1 ZINC000035425851 494076638 /nfs/dbraw/zinc/07/66/38/494076638.db2.gz GHMCAGVBVGPVIK-INIZCTEOSA-N 1 2 366.421 3.486 40 0 biogenic,in-vitro FGABLO O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216217 494144754 /nfs/dbraw/zinc/14/47/54/494144754.db2.gz QTXKIYBAMSRUTN-LJQANCHMSA-N 1 2 367.449 3.392 40 0 FGABLO Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378606 494161269 /nfs/dbraw/zinc/16/12/69/494161269.db2.gz NBXKRHLOZBJLHP-CQSZACIVSA-N 1 2 353.451 3.052 40 0 FGABLO Cc1ncccc1Oc1cncc([C@H]2CCCN2Cc2c[nH+]cn2C)n1 ZINC000072384445 494162078 /nfs/dbraw/zinc/16/20/78/494162078.db2.gz YADQJAZGTRFXGZ-QGZVFWFLSA-N 1 2 350.426 3.043 40 0 FGABLO COc1cccc(C[N@@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)c1 ZINC000012142909 494208030 /nfs/dbraw/zinc/20/80/30/494208030.db2.gz IQUNCTMVBWLQSD-UHFFFAOYSA-N 1 2 366.465 3.299 40 0 FGABLO COc1cccc(C[N@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)c1 ZINC000012142909 494208033 /nfs/dbraw/zinc/20/80/33/494208033.db2.gz IQUNCTMVBWLQSD-UHFFFAOYSA-N 1 2 366.465 3.299 40 0 FGABLO CCc1cc(=O)n2[nH]c([C@@H]3CC[N@H+](Cc4ccc(OC)cc4F)C3)cc2n1 ZINC000012276589 494219219 /nfs/dbraw/zinc/21/92/19/494219219.db2.gz SZBUMUOMNRTLNG-CQSZACIVSA-N 1 2 370.428 3.135 40 0 FGABLO CCc1cc(=O)n2[nH]c([C@@H]3CC[N@@H+](Cc4ccc(OC)cc4F)C3)cc2n1 ZINC000012276589 494219224 /nfs/dbraw/zinc/21/92/24/494219224.db2.gz SZBUMUOMNRTLNG-CQSZACIVSA-N 1 2 370.428 3.135 40 0 FGABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(C)cc1C)C[N@@H+](C)CC2 ZINC000225056828 497056404 /nfs/dbraw/zinc/05/64/04/497056404.db2.gz ISQHXNZVQJJDDG-UHFFFAOYSA-N 1 2 358.463 3.392 40 0 FGABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(C)cc1C)C[N@H+](C)CC2 ZINC000225056828 497056409 /nfs/dbraw/zinc/05/64/09/497056409.db2.gz ISQHXNZVQJJDDG-UHFFFAOYSA-N 1 2 358.463 3.392 40 0 FGABLO c1cc2n(c1)[C@H](CCOCC1CCOCC1)C[N@H+](Cc1cccnc1)C2 ZINC000253588619 497343548 /nfs/dbraw/zinc/34/35/48/497343548.db2.gz KKPMFAGXCRAFBQ-OAQYLSRUSA-N 1 2 355.482 3.273 40 0 FGABLO c1cc2n(c1)[C@H](CCOCC1CCOCC1)C[N@@H+](Cc1cccnc1)C2 ZINC000253588619 497343554 /nfs/dbraw/zinc/34/35/54/497343554.db2.gz KKPMFAGXCRAFBQ-OAQYLSRUSA-N 1 2 355.482 3.273 40 0 FGABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2C ZINC000261365775 497407371 /nfs/dbraw/zinc/40/73/71/497407371.db2.gz VETKHTUWLZTBEX-GFCCVEGCSA-O 1 2 359.475 3.304 40 0 FGABLO O=C(CSCc1ccc(Br)cc1)NCCCn1cc[nH+]c1 ZINC000298195893 498692543 /nfs/dbraw/zinc/69/25/43/498692543.db2.gz CLGLMVGKUORSBE-UHFFFAOYSA-N 1 2 368.300 3.085 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCNC(=O)C3CCC3)C2)s1 ZINC000585112808 507577114 /nfs/dbraw/zinc/57/71/14/507577114.db2.gz WRSIDLPODPCHPJ-MRXNPFEDSA-N 1 2 358.511 3.116 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCNC(=O)C3CCC3)C2)s1 ZINC000585112808 507577124 /nfs/dbraw/zinc/57/71/24/507577124.db2.gz WRSIDLPODPCHPJ-MRXNPFEDSA-N 1 2 358.511 3.116 40 0 FGABLO Cc1nc(Nc2ncc(-c3ccccc3)s2)cc([C@@H]2COCC[NH2+]2)n1 ZINC000585262869 507582992 /nfs/dbraw/zinc/58/29/92/507582992.db2.gz BGTPEOKSZPDUQL-HNNXBMFYSA-N 1 2 353.451 3.313 40 0 FGABLO O=C(NCCSc1ccccc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020037249 526374673 /nfs/dbraw/zinc/37/46/73/526374673.db2.gz XGFZAMCWIGTHQP-UHFFFAOYSA-N 1 2 356.491 3.041 40 0 FGABLO CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000096297265 535094842 /nfs/dbraw/zinc/09/48/42/535094842.db2.gz DOHBFGQLMBHYTQ-NJNPRVFISA-N 1 2 355.526 3.140 40 0 FGABLO CC[C@@H](C)Nc1nc(NCc2cccc(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329066158 210135942 /nfs/dbraw/zinc/13/59/42/210135942.db2.gz XXSJEIPANUEHDL-CQSZACIVSA-N 1 2 351.429 3.344 40 0 FGABLO Fc1cc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)ccc1Br ZINC000329010864 210131449 /nfs/dbraw/zinc/13/14/49/210131449.db2.gz MCVBTYFXHIARTO-UHFFFAOYSA-N 1 2 363.234 3.417 40 0 FGABLO CC(C)Nc1nc(NCc2cccc(Cl)c2)cc(-c2ccncc2)[nH+]1 ZINC000328955883 210124784 /nfs/dbraw/zinc/12/47/84/210124784.db2.gz ADECPCLAQYFFRS-UHFFFAOYSA-N 1 2 353.857 3.468 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000306125532 210048942 /nfs/dbraw/zinc/04/89/42/210048942.db2.gz CTJDLGBZWSQUSJ-ICSRJNTNSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000306125532 210048945 /nfs/dbraw/zinc/04/89/45/210048945.db2.gz CTJDLGBZWSQUSJ-ICSRJNTNSA-N 1 2 366.442 3.097 40 0 FGABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 ZINC000015674363 220159619 /nfs/dbraw/zinc/15/96/19/220159619.db2.gz BYOQOAAZWFWGFA-MJGOQNOKSA-N 1 2 365.433 3.362 40 0 biogenic,in-vitro FGABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 ZINC000015674363 220159623 /nfs/dbraw/zinc/15/96/23/220159623.db2.gz BYOQOAAZWFWGFA-MJGOQNOKSA-N 1 2 365.433 3.362 40 0 biogenic,in-vitro FGABLO CC(C)c1nc2c(c(N3CCCC3)n1)CC[N@H+](Cc1cccc(O)c1)C2 ZINC000019453643 211223600 /nfs/dbraw/zinc/22/36/00/211223600.db2.gz YAMKLIVITBIMPZ-UHFFFAOYSA-N 1 2 352.482 3.464 40 0 FGABLO CC(C)c1nc2c(c(N3CCCC3)n1)CC[N@@H+](Cc1cccc(O)c1)C2 ZINC000019453643 211223604 /nfs/dbraw/zinc/22/36/04/211223604.db2.gz YAMKLIVITBIMPZ-UHFFFAOYSA-N 1 2 352.482 3.464 40 0 FGABLO CCn1cc(NC(=O)C[N@@H+]2CCC[C@H](COc3ccc(F)cc3)C2)c(C)n1 ZINC000019524611 211227749 /nfs/dbraw/zinc/22/77/49/211227749.db2.gz PHHIIXZZUKGDQR-INIZCTEOSA-N 1 2 374.460 3.080 40 0 FGABLO CCn1cc(NC(=O)C[N@H+]2CCC[C@H](COc3ccc(F)cc3)C2)c(C)n1 ZINC000019524611 211227753 /nfs/dbraw/zinc/22/77/53/211227753.db2.gz PHHIIXZZUKGDQR-INIZCTEOSA-N 1 2 374.460 3.080 40 0 FGABLO Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@H+](Cc1ccc(OC(C)C)cc1)CC3 ZINC000019130237 211204111 /nfs/dbraw/zinc/20/41/11/211204111.db2.gz GPMOKBGDTAIZKR-UHFFFAOYSA-N 1 2 366.465 3.131 40 0 FGABLO Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@@H+](Cc1ccc(OC(C)C)cc1)CC3 ZINC000019130237 211204119 /nfs/dbraw/zinc/20/41/19/211204119.db2.gz GPMOKBGDTAIZKR-UHFFFAOYSA-N 1 2 366.465 3.131 40 0 FGABLO Cc1nc(N2CCC[C@H](c3cccc(C(=O)Nc4ccccn4)n3)C2)cc[nH+]1 ZINC000257237568 132295328 /nfs/dbraw/zinc/29/53/28/132295328.db2.gz HHCHFZFCYFZHSI-INIZCTEOSA-N 1 2 374.448 3.211 40 0 FGABLO CC[C@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057669459 136129703 /nfs/dbraw/zinc/12/97/03/136129703.db2.gz OWFBURJIQKUMOF-LJQANCHMSA-N 1 2 354.502 3.452 40 0 FGABLO COc1ccc2nc(CO[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3F)[nH]c2c1 ZINC000096112261 222029798 /nfs/dbraw/zinc/02/97/98/222029798.db2.gz CEDXGUYZQGRIQG-APWZRJJASA-N 1 2 355.413 3.311 40 0 biogenic,in-vitro FGABLO COc1ccc2nc(CO[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3F)[nH]c2c1 ZINC000096112261 222029802 /nfs/dbraw/zinc/02/98/02/222029802.db2.gz CEDXGUYZQGRIQG-APWZRJJASA-N 1 2 355.413 3.311 40 0 biogenic,in-vitro FGABLO Fc1ccc(C2=CC[N@H+](Cc3nnnn3CCc3ccccc3)CC2)cc1 ZINC000057675017 493784364 /nfs/dbraw/zinc/78/43/64/493784364.db2.gz XKVHIQHNAZUGGU-UHFFFAOYSA-N 1 2 363.440 3.344 40 0 FGABLO Fc1ccc(C2=CC[N@@H+](Cc3nnnn3CCc3ccccc3)CC2)cc1 ZINC000057675017 493784367 /nfs/dbraw/zinc/78/43/67/493784367.db2.gz XKVHIQHNAZUGGU-UHFFFAOYSA-N 1 2 363.440 3.344 40 0 FGABLO CC(C)(C)n1nnnc1C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000035291757 494073780 /nfs/dbraw/zinc/07/37/80/494073780.db2.gz NLUQYLZDQWIZKI-UHFFFAOYSA-N 1 2 373.892 3.337 40 0 FGABLO CC(C)(C)n1nnnc1C[NH+]1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000035291757 494073784 /nfs/dbraw/zinc/07/37/84/494073784.db2.gz NLUQYLZDQWIZKI-UHFFFAOYSA-N 1 2 373.892 3.337 40 0 FGABLO Cc1nnc(Nc2cc([C@H]3CCC[N@@H+]3Cc3cccnc3)nc(C)n2)s1 ZINC000072360214 494158174 /nfs/dbraw/zinc/15/81/74/494158174.db2.gz SQQMLFVQNWRZJP-MRXNPFEDSA-N 1 2 367.482 3.421 40 0 FGABLO Cc1nnc(Nc2cc([C@H]3CCC[N@H+]3Cc3cccnc3)nc(C)n2)s1 ZINC000072360214 494158176 /nfs/dbraw/zinc/15/81/76/494158176.db2.gz SQQMLFVQNWRZJP-MRXNPFEDSA-N 1 2 367.482 3.421 40 0 FGABLO Cc1cnc(Nc2nccc([C@H]3CCCCN3Cc3[nH]cc[nH+]3)n2)s1 ZINC000072378062 494160603 /nfs/dbraw/zinc/16/06/03/494160603.db2.gz BGLIBGXHOIRUAM-CQSZACIVSA-N 1 2 355.471 3.435 40 0 FGABLO COc1ccc(Oc2cncc([C@@H]3CCCN3Cc3[nH]cc[nH+]3)n2)cc1 ZINC000072384354 494162124 /nfs/dbraw/zinc/16/21/24/494162124.db2.gz RBCLVJKICVFRKA-KRWDZBQOSA-N 1 2 351.410 3.338 40 0 FGABLO CO[C@@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000012115009 494205186 /nfs/dbraw/zinc/20/51/86/494205186.db2.gz ZINOMXNHMLBXMR-ZWKOTPCHSA-N 1 2 371.387 3.292 40 0 FGABLO Cc1ccc(CC(=O)N2Cc3ccccc3OC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000012128248 494207123 /nfs/dbraw/zinc/20/71/23/494207123.db2.gz OSUARKIOPDACKG-HXUWFJFHSA-N 1 2 361.445 3.224 40 0 FGABLO Cc1ccccc1CC(=O)N1Cc2ccccc2OC[C@@H]1Cn1cc[nH+]c1 ZINC000012128324 494207370 /nfs/dbraw/zinc/20/73/70/494207370.db2.gz KSYNUZHQYZEZDV-FQEVSTJZSA-N 1 2 361.445 3.224 40 0 FGABLO CC(C)Oc1ccc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000044945926 494389162 /nfs/dbraw/zinc/38/91/62/494389162.db2.gz DDXJXARSFYDLCF-UHFFFAOYSA-N 1 2 368.477 3.236 40 0 FGABLO Cn1c[nH+]c2c1[C@H](COCC1CCCC1)CN(C(=O)C[C@H]1C=CCC1)C2 ZINC000096044964 494998358 /nfs/dbraw/zinc/99/83/58/494998358.db2.gz UGSBFCUZROQYFB-WMZOPIPTSA-N 1 2 357.498 3.409 40 0 FGABLO Fc1cccnc1OCC[C@@H]1CCOC2(C[NH+](Cc3cccnc3)C2)C1 ZINC000247488548 496871021 /nfs/dbraw/zinc/87/10/21/496871021.db2.gz ARSZPVCKLLDRSW-MRXNPFEDSA-N 1 2 357.429 3.066 40 0 FGABLO c1ccc(COCC[C@@H]2CCOC3(C[NH+](Cc4cccnc4)C3)C2)nc1 ZINC000247848872 496921359 /nfs/dbraw/zinc/92/13/59/496921359.db2.gz NVWFACKZNBHKQK-GOSISDBHSA-N 1 2 353.466 3.065 40 0 FGABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2CCOCc1ccccn1 ZINC000248113896 496955434 /nfs/dbraw/zinc/95/54/34/496955434.db2.gz ABBQPFUEMIFFMF-LJQANCHMSA-N 1 2 368.477 3.288 40 0 FGABLO CCOC(=O)c1cc(NC(=S)NCCCn2cc[nH+]c2)ccc1Cl ZINC000225521713 497066479 /nfs/dbraw/zinc/06/64/79/497066479.db2.gz YDIFHKDTBBEWCO-UHFFFAOYSA-N 1 2 366.874 3.090 40 0 FGABLO c1cc2n(n1)[C@@H](COc1ccccn1)C[N@H+](Cc1cccc3[nH]ccc31)C2 ZINC000585111988 507575945 /nfs/dbraw/zinc/57/59/45/507575945.db2.gz JXUKEZDMFJFXKT-GOSISDBHSA-N 1 2 359.433 3.395 40 0 FGABLO c1cc2n(n1)[C@@H](COc1ccccn1)C[N@@H+](Cc1cccc3[nH]ccc31)C2 ZINC000585111988 507575952 /nfs/dbraw/zinc/57/59/52/507575952.db2.gz JXUKEZDMFJFXKT-GOSISDBHSA-N 1 2 359.433 3.395 40 0 FGABLO CCc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)cc1 ZINC000585112198 507576596 /nfs/dbraw/zinc/57/65/96/507576596.db2.gz LEBYSVZTFQCGOL-HXUWFJFHSA-N 1 2 352.482 3.015 40 0 FGABLO CCc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)cc1 ZINC000585112198 507576597 /nfs/dbraw/zinc/57/65/97/507576597.db2.gz LEBYSVZTFQCGOL-HXUWFJFHSA-N 1 2 352.482 3.015 40 0 FGABLO CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020450950 522874007 /nfs/dbraw/zinc/87/40/07/522874007.db2.gz OHCIGEKLMIKVTD-IBGZPJMESA-N 1 2 353.397 3.485 40 0 FGABLO Cc1[nH+]cc(-c2cncc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)n1C ZINC000257261730 534722037 /nfs/dbraw/zinc/72/20/37/534722037.db2.gz LIOLZFFTNKIJKD-KRWDZBQOSA-N 1 2 361.449 3.205 40 0 FGABLO COc1ccc2[nH]c(C[C@H]3C[N@H+](CC(C)C)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288694 560034060 /nfs/dbraw/zinc/03/40/60/560034060.db2.gz KSYPWVDWSYBTMU-GJZGRUSLSA-N 1 2 359.470 3.183 40 0 biogenic,in-vitro FGABLO COc1ccc2[nH]c(C[C@H]3C[N@@H+](CC(C)C)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288694 560034062 /nfs/dbraw/zinc/03/40/62/560034062.db2.gz KSYPWVDWSYBTMU-GJZGRUSLSA-N 1 2 359.470 3.183 40 0 biogenic,in-vitro FGABLO COC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC(C)CC1)CCCC2 ZINC000000873387 219333996 /nfs/dbraw/zinc/33/39/96/219333996.db2.gz GPIPQNOHMGTEKP-UHFFFAOYSA-N 1 2 350.484 3.084 40 0 FGABLO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OC1CCCC1 ZINC000257233127 223031109 /nfs/dbraw/zinc/03/11/09/223031109.db2.gz GNXZROBVBGTFAC-JOCHJYFZSA-N 1 2 365.477 3.380 40 0 FGABLO NC(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OC1CCCC1 ZINC000257233127 223031111 /nfs/dbraw/zinc/03/11/11/223031111.db2.gz GNXZROBVBGTFAC-JOCHJYFZSA-N 1 2 365.477 3.380 40 0 FGABLO Cc1ccc(NC(=O)c2cccc([C@H]3CCCN3Cc3[nH]cc[nH+]3)n2)nc1 ZINC000257283076 223050196 /nfs/dbraw/zinc/05/01/96/223050196.db2.gz OWRJZXIBQMKQFU-QGZVFWFLSA-N 1 2 362.437 3.098 40 0 FGABLO Cn1ccnc1C[NH+]1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 ZINC000257294704 223054069 /nfs/dbraw/zinc/05/40/69/223054069.db2.gz QVICGTZGXIWXCG-QFBILLFUSA-N 1 2 369.465 3.021 40 0 FGABLO O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257321433 223064199 /nfs/dbraw/zinc/06/41/99/223064199.db2.gz WBRHOFZWXSIFJC-GOSISDBHSA-N 1 2 368.412 3.355 40 0 FGABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCCC[N@H+]2Cc2cncn2C)n1 ZINC000257320990 223064794 /nfs/dbraw/zinc/06/47/94/223064794.db2.gz VZQHBZHVTODQMP-GOSISDBHSA-N 1 2 363.469 3.384 40 0 FGABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCCC[N@@H+]2Cc2cncn2C)n1 ZINC000257320990 223064797 /nfs/dbraw/zinc/06/47/97/223064797.db2.gz VZQHBZHVTODQMP-GOSISDBHSA-N 1 2 363.469 3.384 40 0 FGABLO CCn1nc(C2CC2)cc1C(=O)N1CCC[C@H](c2cc[nH+]c(NC)c2)C1 ZINC000257322117 223066262 /nfs/dbraw/zinc/06/62/62/223066262.db2.gz WERALHHJDXUSFH-INIZCTEOSA-N 1 2 353.470 3.237 40 0 FGABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012667075 220016871 /nfs/dbraw/zinc/01/68/71/220016871.db2.gz RUXCTWOXQHOJMJ-UHFFFAOYSA-N 1 2 356.376 3.149 40 0 FGABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012667075 220016873 /nfs/dbraw/zinc/01/68/73/220016873.db2.gz RUXCTWOXQHOJMJ-UHFFFAOYSA-N 1 2 356.376 3.149 40 0 FGABLO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2nc(C)c(CC)c(=O)[nH]2)cc1OC ZINC000019521605 220265139 /nfs/dbraw/zinc/26/51/39/220265139.db2.gz IJUXZDGWGKGHDJ-KRWDZBQOSA-N 1 2 371.481 3.385 40 0 FGABLO CCOc1ccc(C[N@H+]2CCC[C@H]2c2nc(C)c(CC)c(=O)[nH]2)cc1OC ZINC000019521605 220265143 /nfs/dbraw/zinc/26/51/43/220265143.db2.gz IJUXZDGWGKGHDJ-KRWDZBQOSA-N 1 2 371.481 3.385 40 0 FGABLO Cc1nn2c(nc(C)c(C)c2NCC[NH+]2CCOCC2)c1-c1ccccc1 ZINC000019555639 220271999 /nfs/dbraw/zinc/27/19/99/220271999.db2.gz VQBVBYBMZFYCNZ-UHFFFAOYSA-N 1 2 365.481 3.066 40 0 FGABLO Cc1c(-c2c[nH+]cn2CC(=O)NC(C)(C)C)cnn1Cc1ccccc1 ZINC000019654424 220280406 /nfs/dbraw/zinc/28/04/06/220280406.db2.gz XIUWLYSWEVBZFH-UHFFFAOYSA-N 1 2 351.454 3.018 40 0 FGABLO CC(C)N1C[NH+]=C2N[C@H](c3cccs3)n3c4ccccc4nc3N2C1 ZINC000020676338 220339564 /nfs/dbraw/zinc/33/95/64/220339564.db2.gz NHNHFSFHQHFELV-INIZCTEOSA-N 1 2 352.467 3.049 40 0 FGABLO O=C(/C=C/c1cccs1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC000096206904 222075614 /nfs/dbraw/zinc/07/56/14/222075614.db2.gz NUKZBGLBVITNQN-SQRWCISFSA-N 1 2 357.479 3.043 40 0 FGABLO CCSC1(SCC)C(=O)OC2=C(CCCC2)[C@@H]1[NH+]1CCOCC1 ZINC000031759746 493958853 /nfs/dbraw/zinc/95/88/53/493958853.db2.gz OZVWUMBQYTVGCB-HNNXBMFYSA-N 1 2 357.541 3.275 40 0 FGABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc[nH+]c2N(C)C)cc1 ZINC000072212695 494144208 /nfs/dbraw/zinc/14/42/08/494144208.db2.gz OQWWTMJSDAPCLB-SFHVURJKSA-N 1 2 359.495 3.372 40 0 FGABLO CCc1nnc(Nc2cc([C@@H]3CCC[N@@H+]3C3CCOCC3)nc(C)n2)s1 ZINC000072360371 494158138 /nfs/dbraw/zinc/15/81/38/494158138.db2.gz FQBQMBDOLVFWED-HNNXBMFYSA-N 1 2 374.514 3.258 40 0 FGABLO CCc1nnc(Nc2cc([C@@H]3CCC[N@H+]3C3CCOCC3)nc(C)n2)s1 ZINC000072360371 494158140 /nfs/dbraw/zinc/15/81/40/494158140.db2.gz FQBQMBDOLVFWED-HNNXBMFYSA-N 1 2 374.514 3.258 40 0 FGABLO Cc1nc2c(c(NC[C@H]3CCCO3)n1)[C@H]1CC[C@@H](C2)[N@@H+]1Cc1cccnc1 ZINC000072373159 494159408 /nfs/dbraw/zinc/15/94/08/494159408.db2.gz JXTXKHYFYIDBDS-YQVWRLOYSA-N 1 2 365.481 3.033 40 0 FGABLO Cc1nc2c(c(NC[C@H]3CCCO3)n1)[C@H]1CC[C@@H](C2)[N@H+]1Cc1cccnc1 ZINC000072373159 494159412 /nfs/dbraw/zinc/15/94/12/494159412.db2.gz JXTXKHYFYIDBDS-YQVWRLOYSA-N 1 2 365.481 3.033 40 0 FGABLO COc1ccccc1[C@@H](NC(=O)[C@@H](OC)c1ccccc1)c1[nH+]ccn1C ZINC000012114910 494204755 /nfs/dbraw/zinc/20/47/55/494204755.db2.gz SZGRFASIVVNAIJ-MOPGFXCFSA-N 1 2 365.433 3.022 40 0 FGABLO CCc1[nH]c2ccc(NC(=O)c3cc4c([nH]c3=O)CCCCC4)cc2[nH+]1 ZINC000012116923 494205666 /nfs/dbraw/zinc/20/56/66/494205666.db2.gz RPLBRNRMTAXCLK-UHFFFAOYSA-N 1 2 350.422 3.335 40 0 FGABLO C[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000012116311 494205983 /nfs/dbraw/zinc/20/59/83/494205983.db2.gz UFKVGUYLOYUAQX-DOTOQJQBSA-N 1 2 354.498 3.485 40 0 FGABLO CCn1cc(C[N@@H+](Cc2ccc(OC)cc2OC)C[C@@H]2CCCO2)c(C)n1 ZINC000012187220 494211653 /nfs/dbraw/zinc/21/16/53/494211653.db2.gz UKLXAYHNQBEVNI-FQEVSTJZSA-N 1 2 373.497 3.410 40 0 FGABLO CCn1cc(C[N@H+](Cc2ccc(OC)cc2OC)C[C@@H]2CCCO2)c(C)n1 ZINC000012187220 494211655 /nfs/dbraw/zinc/21/16/55/494211655.db2.gz UKLXAYHNQBEVNI-FQEVSTJZSA-N 1 2 373.497 3.410 40 0 FGABLO O=C(C[C@@H]1[NH2+]CCc2c3ccccc3[nH]c2C1=O)Nc1ccc(F)cc1 ZINC000014162603 494306784 /nfs/dbraw/zinc/30/67/84/494306784.db2.gz OZBVQLKAPFLHAW-KRWDZBQOSA-N 1 2 351.381 3.033 40 0 FGABLO Cc1cccc(CCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000044883443 494386350 /nfs/dbraw/zinc/38/63/50/494386350.db2.gz VDRYLSCPGVYSFM-UHFFFAOYSA-N 1 2 352.478 3.190 40 0 FGABLO c1[nH+]c2c(n1CC1CC1)[C@H](COCC1CC1)CN(Cc1ccccn1)C2 ZINC000096045150 494998505 /nfs/dbraw/zinc/99/85/05/494998505.db2.gz SLWVHXFBRWSNPI-SFHVURJKSA-N 1 2 352.482 3.214 40 0 FGABLO Cc1nc(COC[C@@H]2CCOC23C[NH+](Cc2scnc2C)C3)cs1 ZINC000248040070 496945843 /nfs/dbraw/zinc/94/58/43/496945843.db2.gz ONBBLQNPHPSIKD-AWEZNQCLSA-N 1 2 365.524 3.024 40 0 FGABLO O=C(c1cscn1)N1Cc2cccn2C[C@@H](CCNc2cccc[nH+]2)C1 ZINC000585095532 507566577 /nfs/dbraw/zinc/56/65/77/507566577.db2.gz VJCZXTSDEPTKIN-OAHLLOKOSA-N 1 2 367.478 3.114 40 0 FGABLO CN(C)c1ccc(C(=O)N2CCc3[nH+]cc(-c4ccccc4)n3CC2)cc1 ZINC000585111280 507574071 /nfs/dbraw/zinc/57/40/71/507574071.db2.gz MMSMEMFDWSNFKA-UHFFFAOYSA-N 1 2 360.461 3.315 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000306125533 534877053 /nfs/dbraw/zinc/87/70/53/534877053.db2.gz CTJDLGBZWSQUSJ-QUCCMNQESA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000306125533 534877057 /nfs/dbraw/zinc/87/70/57/534877057.db2.gz CTJDLGBZWSQUSJ-QUCCMNQESA-N 1 2 366.442 3.097 40 0 FGABLO CC(C)Nc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)C3CCC3)C2)cc[nH+]1 ZINC000257328407 527760837 /nfs/dbraw/zinc/76/08/37/527760837.db2.gz XFNGYSYOAGPJAV-INIZCTEOSA-N 1 2 353.470 3.408 40 0 FGABLO CCNc1nc(Nc2ccc(F)cc2Br)cc(C2CC2)[nH+]1 ZINC000329005881 528001390 /nfs/dbraw/zinc/00/13/90/528001390.db2.gz KZTIIGGHFDJHOO-UHFFFAOYSA-N 1 2 351.223 3.275 40 0 FGABLO CCC(CC)C(=O)N1CCC(c2cncc(-c3c[nH+]c(C)n3C)n2)CC1 ZINC000257302301 528721330 /nfs/dbraw/zinc/72/13/30/528721330.db2.gz SCKBBWWARZFZMB-UHFFFAOYSA-N 1 2 355.486 3.328 40 0 FGABLO CC(C)Nc1nc(NCc2ccccc2Cl)cc(-c2ccncc2)[nH+]1 ZINC000329004427 529111620 /nfs/dbraw/zinc/11/16/20/529111620.db2.gz KSNILLRWZWKPHK-UHFFFAOYSA-N 1 2 353.857 3.468 40 0 FGABLO OCCNc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329006331 223127756 /nfs/dbraw/zinc/12/77/56/223127756.db2.gz LDIBVVBISOHYKI-UHFFFAOYSA-N 1 2 372.375 3.315 40 0 FGABLO COc1c(C)cccc1C[N@@H+]1CC[C@@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000013227617 220062445 /nfs/dbraw/zinc/06/24/45/220062445.db2.gz OSNJJUSZNPTYAG-MRXNPFEDSA-N 1 2 366.465 3.358 40 0 FGABLO COc1c(C)cccc1C[N@H+]1CC[C@@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000013227617 220062446 /nfs/dbraw/zinc/06/24/46/220062446.db2.gz OSNJJUSZNPTYAG-MRXNPFEDSA-N 1 2 366.465 3.358 40 0 FGABLO CCc1ncc(C[N@H+](Cc2ccncc2)Cc2ccc3c(c2)OCO3)cn1 ZINC000013989774 220100452 /nfs/dbraw/zinc/10/04/52/220100452.db2.gz RPXXUPOFVYPHPJ-UHFFFAOYSA-N 1 2 362.433 3.365 40 0 FGABLO CCc1ncc(C[N@@H+](Cc2ccncc2)Cc2ccc3c(c2)OCO3)cn1 ZINC000013989774 220100455 /nfs/dbraw/zinc/10/04/55/220100455.db2.gz RPXXUPOFVYPHPJ-UHFFFAOYSA-N 1 2 362.433 3.365 40 0 FGABLO Cc1csc2c1nc1n(c2=O)CC[N@@H+](Cc2cccc(Cl)c2)CC1 ZINC000019240321 220244026 /nfs/dbraw/zinc/24/40/26/220244026.db2.gz APLKWBJEPAGFFC-UHFFFAOYSA-N 1 2 359.882 3.478 40 0 FGABLO Cc1csc2c1nc1n(c2=O)CC[N@H+](Cc2cccc(Cl)c2)CC1 ZINC000019240321 220244029 /nfs/dbraw/zinc/24/40/29/220244029.db2.gz APLKWBJEPAGFFC-UHFFFAOYSA-N 1 2 359.882 3.478 40 0 FGABLO COc1ccc2c(c1)C[C@@H](c1cccnc1OC)[NH2+][C@H]2c1cnc(C)nc1 ZINC000019287300 220246203 /nfs/dbraw/zinc/24/62/03/220246203.db2.gz WQYNYHCOBABISY-PMACEKPBSA-N 1 2 362.433 3.174 40 0 FGABLO CCn1cc(C(=O)N2CC[N@H+](Cc3ccccc3F)C[C@@H]2C(C)C)cn1 ZINC000019524873 220266354 /nfs/dbraw/zinc/26/63/54/220266354.db2.gz MAVKORFBVAHJDK-LJQANCHMSA-N 1 2 358.461 3.025 40 0 FGABLO CCn1cc(C(=O)N2CC[N@@H+](Cc3ccccc3F)C[C@@H]2C(C)C)cn1 ZINC000019524873 220266359 /nfs/dbraw/zinc/26/63/59/220266359.db2.gz MAVKORFBVAHJDK-LJQANCHMSA-N 1 2 358.461 3.025 40 0 FGABLO COc1ccc(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)c(OC)c1OC ZINC000019552717 220271136 /nfs/dbraw/zinc/27/11/36/220271136.db2.gz ILCGVPNIRFTKIU-GOSISDBHSA-N 1 2 372.465 3.289 40 0 FGABLO COc1ccc(C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)c(OC)c1OC ZINC000019552717 220271140 /nfs/dbraw/zinc/27/11/40/220271140.db2.gz ILCGVPNIRFTKIU-GOSISDBHSA-N 1 2 372.465 3.289 40 0 FGABLO C[C@@H]1CCC[N@@H+]([C@H](c2nnnn2CCc2ccccc2)c2ccncc2)C1 ZINC000057710439 221092702 /nfs/dbraw/zinc/09/27/02/221092702.db2.gz BOVVBDPYSPKODZ-XLIONFOSSA-N 1 2 362.481 3.132 40 0 FGABLO C[C@@H]1CCC[N@H+]([C@H](c2nnnn2CCc2ccccc2)c2ccncc2)C1 ZINC000057710439 221092704 /nfs/dbraw/zinc/09/27/04/221092704.db2.gz BOVVBDPYSPKODZ-XLIONFOSSA-N 1 2 362.481 3.132 40 0 FGABLO Cn1cc[nH+]c1CN1CCOC[C@H]1c1nc(-c2ccc(Cl)s2)c[nH]1 ZINC000096112654 222029430 /nfs/dbraw/zinc/02/94/30/222029430.db2.gz PHUBIMLGHWQIOD-LBPRGKRZSA-N 1 2 363.874 3.099 40 0 biogenic,in-vitro FGABLO Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@H+](Cc1cccc(OC(C)C)c1)CC3 ZINC000100775120 222252875 /nfs/dbraw/zinc/25/28/75/222252875.db2.gz IXBPDMHLUZOHAC-UHFFFAOYSA-N 1 2 366.465 3.131 40 0 FGABLO Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@@H+](Cc1cccc(OC(C)C)c1)CC3 ZINC000100775120 222252876 /nfs/dbraw/zinc/25/28/76/222252876.db2.gz IXBPDMHLUZOHAC-UHFFFAOYSA-N 1 2 366.465 3.131 40 0 FGABLO COc1cc(C[N@@H+](Cc2cnn(C)c2)Cc2ccco2)cc(OC)c1OC ZINC000012186857 263369830 /nfs/dbraw/zinc/36/98/30/263369830.db2.gz BTSIDXPOJBWFPQ-UHFFFAOYSA-N 1 2 371.437 3.241 40 0 FGABLO COc1cc(C[N@H+](Cc2cnn(C)c2)Cc2ccco2)cc(OC)c1OC ZINC000012186857 263369834 /nfs/dbraw/zinc/36/98/34/263369834.db2.gz BTSIDXPOJBWFPQ-UHFFFAOYSA-N 1 2 371.437 3.241 40 0 FGABLO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccco3)n2)c1 ZINC000035425071 494076669 /nfs/dbraw/zinc/07/66/69/494076669.db2.gz DBLATLOKZLDRKN-KRWDZBQOSA-N 1 2 370.409 3.087 40 0 biogenic,in-vitro FGABLO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccco3)n2)c1 ZINC000035425071 494076672 /nfs/dbraw/zinc/07/66/72/494076672.db2.gz DBLATLOKZLDRKN-KRWDZBQOSA-N 1 2 370.409 3.087 40 0 biogenic,in-vitro FGABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@H+](Cc1cccc(F)c1F)CC2 ZINC000072339898 494153382 /nfs/dbraw/zinc/15/33/82/494153382.db2.gz IAWQBVVOBUUCFX-UHFFFAOYSA-N 1 2 354.360 3.081 40 0 FGABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@@H+](Cc1cccc(F)c1F)CC2 ZINC000072339898 494153384 /nfs/dbraw/zinc/15/33/84/494153384.db2.gz IAWQBVVOBUUCFX-UHFFFAOYSA-N 1 2 354.360 3.081 40 0 FGABLO C[C@@H](CCc1ccccc1)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044904355 494386633 /nfs/dbraw/zinc/38/66/33/494386633.db2.gz PLAXWASDGDHXKH-SFHVURJKSA-N 1 2 352.478 3.270 40 0 FGABLO Cn1c[nH+]c2c1[C@@H](COCC1CCCC1)CN(C(=O)C[C@H]1C=CCC1)C2 ZINC000096044965 494998695 /nfs/dbraw/zinc/99/86/95/494998695.db2.gz UGSBFCUZROQYFB-FUHWJXTLSA-N 1 2 357.498 3.409 40 0 FGABLO COC(=O)c1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225454338 497063877 /nfs/dbraw/zinc/06/38/77/497063877.db2.gz XCICLUSDDKSUQB-UHFFFAOYSA-N 1 2 366.446 3.146 40 0 FGABLO Clc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3COCC2CCOCC2)c1 ZINC000253489987 497336039 /nfs/dbraw/zinc/33/60/39/497336039.db2.gz HAXSSVQDZONGLA-GOSISDBHSA-N 1 2 365.901 3.374 40 0 FGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1ccc(O)c(Cl)c1 ZINC000261363184 497407403 /nfs/dbraw/zinc/40/74/03/497407403.db2.gz GJUKJSSBTHDVHN-HNNXBMFYSA-O 1 2 373.845 3.190 40 0 FGABLO CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)C2CCCC2)CC3)c1 ZINC000585110998 507574477 /nfs/dbraw/zinc/57/44/77/507574477.db2.gz AIGAPOQFKNIGHU-UHFFFAOYSA-N 1 2 366.465 3.083 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCNC(=O)N3CCCC3)C2)s1 ZINC000585112938 507576790 /nfs/dbraw/zinc/57/67/90/507576790.db2.gz ZGEPATLRRJCHMN-INIZCTEOSA-N 1 2 373.526 3.005 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCNC(=O)N3CCCC3)C2)s1 ZINC000585112938 507576799 /nfs/dbraw/zinc/57/67/99/507576799.db2.gz ZGEPATLRRJCHMN-INIZCTEOSA-N 1 2 373.526 3.005 40 0 FGABLO COc1ccc(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000020491742 523893891 /nfs/dbraw/zinc/89/38/91/523893891.db2.gz PBECUUCNSGJXRK-VMPITWQZSA-N 1 2 350.462 3.095 40 0 FGABLO Cc1ccc(SCc2cc(=O)[nH]c(NC(=[NH2+])N3CCCCC3)n2)cc1 ZINC000019819779 525662940 /nfs/dbraw/zinc/66/29/40/525662940.db2.gz ZWWVQFUNBMMKGJ-UHFFFAOYSA-N 1 2 357.483 3.203 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000306125186 534877638 /nfs/dbraw/zinc/87/76/38/534877638.db2.gz CIMTVKZHZROVNM-HKUYNNGSSA-N 1 2 355.415 3.295 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000306125186 534877641 /nfs/dbraw/zinc/87/76/41/534877641.db2.gz CIMTVKZHZROVNM-HKUYNNGSSA-N 1 2 355.415 3.295 40 0 FGABLO CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)c(=O)[nH]1 ZINC000257229982 528061849 /nfs/dbraw/zinc/06/18/49/528061849.db2.gz GAFAYJBIMMBWIQ-QGZVFWFLSA-N 1 2 354.454 3.349 40 0 FGABLO CC(C)CNc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)C3CC3)C2)cc[nH+]1 ZINC000257287685 528067215 /nfs/dbraw/zinc/06/72/15/528067215.db2.gz PRBRDZKKZYGTDP-MRXNPFEDSA-N 1 2 353.470 3.266 40 0 FGABLO CC(C)n1ccnc1C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257314729 528604989 /nfs/dbraw/zinc/60/49/89/528604989.db2.gz UYFMTTYYGFVYRV-FPOVZHCZSA-N 1 2 355.482 3.414 40 0 FGABLO CC(C)n1ccnc1C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257314729 528604995 /nfs/dbraw/zinc/60/49/95/528604995.db2.gz UYFMTTYYGFVYRV-FPOVZHCZSA-N 1 2 355.482 3.414 40 0 FGABLO Cc1ccc2[nH]c(C[C@H]3C[N@@H+](C4CCOCC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289443 560032689 /nfs/dbraw/zinc/03/26/89/560032689.db2.gz UKEJMTPCTQVIDV-HOTGVXAUSA-N 1 2 371.481 3.006 40 0 biogenic,in-vitro FGABLO Cc1ccc2[nH]c(C[C@H]3C[N@H+](C4CCOCC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289443 560032690 /nfs/dbraw/zinc/03/26/90/560032690.db2.gz UKEJMTPCTQVIDV-HOTGVXAUSA-N 1 2 371.481 3.006 40 0 biogenic,in-vitro FGABLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000660589396 571055328 /nfs/dbraw/zinc/05/53/28/571055328.db2.gz IDXIRLGLTFHNFW-ZIAGYGMSSA-N 1 2 352.360 3.191 40 0 FGABLO COc1ccc([C@@H](c2nnnn2C(C)(C)C)[NH+]2CCC(C)CC2)cc1OC ZINC000004847701 219613479 /nfs/dbraw/zinc/61/34/79/219613479.db2.gz GFOULOQNMKXRQX-SFHVURJKSA-N 1 2 373.501 3.267 40 0 FGABLO Cc1[nH+]cc(-c2nccnc2[C@H]2CCCN(C(=O)c3ccccc3)C2)n1C ZINC000257236441 223032037 /nfs/dbraw/zinc/03/20/37/223032037.db2.gz HCEXCPOJNPOARX-KRWDZBQOSA-N 1 2 361.449 3.205 40 0 FGABLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257338873 223071551 /nfs/dbraw/zinc/07/15/51/223071551.db2.gz YZGDVGIVQXIXFW-QGZVFWFLSA-N 1 2 370.840 3.479 40 0 FGABLO c1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5cccnc5)CCO4)nnn3c2)cc1 ZINC000306125757 223107356 /nfs/dbraw/zinc/10/73/56/223107356.db2.gz DBLWZRSMFVQBFN-NRFANRHFSA-N 1 2 371.444 3.365 40 0 FGABLO c1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5cccnc5)CCO4)nnn3c2)cc1 ZINC000306125757 223107359 /nfs/dbraw/zinc/10/73/59/223107359.db2.gz DBLWZRSMFVQBFN-NRFANRHFSA-N 1 2 371.444 3.365 40 0 FGABLO c1ccc(CCNc2cc(-c3cccnc3)[nH+]c(NC3CCCCC3)n2)nc1 ZINC000328964545 223126391 /nfs/dbraw/zinc/12/63/91/223126391.db2.gz BVBLHMMOLOCELU-UHFFFAOYSA-N 1 2 374.492 3.177 40 0 FGABLO COc1ccccc1CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000012115002 219955042 /nfs/dbraw/zinc/95/50/42/219955042.db2.gz SMBPBAGCNWUUQT-LJQANCHMSA-N 1 2 371.387 3.155 40 0 FGABLO C[N@@H+]1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530091 220003065 /nfs/dbraw/zinc/00/30/65/220003065.db2.gz UAYMHRGDDZTAQG-IRXDYDNUSA-N 1 2 369.469 3.114 40 0 biogenic,in-vitro FGABLO C[N@H+]1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530091 220003067 /nfs/dbraw/zinc/00/30/67/220003067.db2.gz UAYMHRGDDZTAQG-IRXDYDNUSA-N 1 2 369.469 3.114 40 0 biogenic,in-vitro FGABLO CC1(C)Nc2ccccc2C2=C1C1=C([NH+]3CCOCC3)CCN(C1)C2=S ZINC000014608307 220128854 /nfs/dbraw/zinc/12/88/54/220128854.db2.gz ZTUXJKWYEXVEAC-UHFFFAOYSA-N 1 2 367.518 3.277 40 0 FGABLO C[N@@H+]1CCc2nc(NC(=O)c3cc(-n4cccn4)ccc3Cl)sc2C1 ZINC000019664933 220282924 /nfs/dbraw/zinc/28/29/24/220282924.db2.gz PYKSVRFJNWJSSY-UHFFFAOYSA-N 1 2 373.869 3.222 40 0 FGABLO C[N@H+]1CCc2nc(NC(=O)c3cc(-n4cccn4)ccc3Cl)sc2C1 ZINC000019664933 220282928 /nfs/dbraw/zinc/28/29/28/220282928.db2.gz PYKSVRFJNWJSSY-UHFFFAOYSA-N 1 2 373.869 3.222 40 0 FGABLO Cc1nonc1CNc1cc([C@H](C)Cn2nc(C)c(C)c2C)[nH+]c(C)n1 ZINC000019717962 220290270 /nfs/dbraw/zinc/29/02/70/220290270.db2.gz HZRGZNXCHMXUJQ-SNVBAGLBSA-N 1 2 355.446 3.014 40 0 FGABLO COC(=O)c1cccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)c1 ZINC000120279400 132248523 /nfs/dbraw/zinc/24/85/23/132248523.db2.gz HQTINKPSODSTRG-UHFFFAOYSA-N 1 2 374.462 3.264 40 0 FGABLO Cc1csc(Nc2nccnc2[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000257250915 132295367 /nfs/dbraw/zinc/29/53/67/132295367.db2.gz JONUHGHMBBWCLT-AWEZNQCLSA-N 1 2 367.482 3.468 40 0 FGABLO Cc1cc(N2CCC[C@](C)(C(=O)NCc3ccccc3Cl)C2)nc[nH+]1 ZINC000257274612 132296385 /nfs/dbraw/zinc/29/63/85/132296385.db2.gz NLWKTHSXDGAKEK-IBGZPJMESA-N 1 2 358.873 3.361 40 0 FGABLO CC(C)C[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669770 136129926 /nfs/dbraw/zinc/12/99/26/136129926.db2.gz VEMHVVWSWDDTBO-GOSISDBHSA-N 1 2 374.508 3.477 40 0 FGABLO Cc1cccnc1C[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3ccccc3n2C)C1 ZINC000096112210 222030158 /nfs/dbraw/zinc/03/01/58/222030158.db2.gz XMUHALYTURLGKF-BEFAXECRSA-N 1 2 354.429 3.016 40 0 biogenic,in-vitro FGABLO Cc1cccnc1C[N@H+]1C[C@@H](F)[C@@H](OCc2nc3ccccc3n2C)C1 ZINC000096112210 222030161 /nfs/dbraw/zinc/03/01/61/222030161.db2.gz XMUHALYTURLGKF-BEFAXECRSA-N 1 2 354.429 3.016 40 0 biogenic,in-vitro FGABLO CC(C)C(=O)N1CCC2(CC1)c1ncc(-c3cccc(F)c3)n1CC[N@H+]2C ZINC000096144948 222048037 /nfs/dbraw/zinc/04/80/37/222048037.db2.gz YNHUMBKWDXFARG-UHFFFAOYSA-N 1 2 370.472 3.108 40 0 FGABLO CC(C)C(=O)N1CCC2(CC1)c1ncc(-c3cccc(F)c3)n1CC[N@@H+]2C ZINC000096144948 222048040 /nfs/dbraw/zinc/04/80/40/222048040.db2.gz YNHUMBKWDXFARG-UHFFFAOYSA-N 1 2 370.472 3.108 40 0 FGABLO Cc1cccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000038229602 494112612 /nfs/dbraw/zinc/11/26/12/494112612.db2.gz ZHVPYJMYDCMRBL-UHFFFAOYSA-N 1 2 355.507 3.314 40 0 FGABLO CC[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(OC)cc1 ZINC000038771198 494117830 /nfs/dbraw/zinc/11/78/30/494117830.db2.gz UAUSAQYAWNGHNB-NRFANRHFSA-N 1 2 368.477 3.409 40 0 FGABLO CCn1c[nH+]cc1CN(Cc1ccc(OC)cc1OC)C[C@@H]1CCCO1 ZINC000012116784 494206035 /nfs/dbraw/zinc/20/60/35/494206035.db2.gz WGLPNURPNLSFAT-IBGZPJMESA-N 1 2 359.470 3.101 40 0 FGABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@H](OCC1CCOCC1)CCO2 ZINC000253599393 497344449 /nfs/dbraw/zinc/34/44/49/497344449.db2.gz PAMUKMOEFUFJLN-QGZVFWFLSA-N 1 2 351.512 3.233 40 0 FGABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@H](CCNc3ccccn3)C2)n(C)n1 ZINC000585095557 507566943 /nfs/dbraw/zinc/56/69/43/507566943.db2.gz WXQZKBNTRJAADY-GOSISDBHSA-N 1 2 364.497 3.059 40 0 FGABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@H](CCNc3ccccn3)C2)n(C)n1 ZINC000585095557 507566950 /nfs/dbraw/zinc/56/69/50/507566950.db2.gz WXQZKBNTRJAADY-GOSISDBHSA-N 1 2 364.497 3.059 40 0 FGABLO Cc1cccc(C[N@H+]2Cc3ccnn3[C@H](CCNC(=O)CC3CC3)C2)c1 ZINC000585112539 507576007 /nfs/dbraw/zinc/57/60/07/507576007.db2.gz SBLMXKHVHAJECQ-LJQANCHMSA-N 1 2 352.482 3.055 40 0 FGABLO Cc1cccc(C[N@@H+]2Cc3ccnn3[C@H](CCNC(=O)CC3CC3)C2)c1 ZINC000585112539 507576013 /nfs/dbraw/zinc/57/60/13/507576013.db2.gz SBLMXKHVHAJECQ-LJQANCHMSA-N 1 2 352.482 3.055 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCNC(=O)N3CCCC3)C2)s1 ZINC000585112941 507577048 /nfs/dbraw/zinc/57/70/48/507577048.db2.gz ZGEPATLRRJCHMN-MRXNPFEDSA-N 1 2 373.526 3.005 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCNC(=O)N3CCCC3)C2)s1 ZINC000585112941 507577054 /nfs/dbraw/zinc/57/70/54/507577054.db2.gz ZGEPATLRRJCHMN-MRXNPFEDSA-N 1 2 373.526 3.005 40 0 FGABLO Fc1cccc(-c2nccnc2[C@@H]2C[N@H+](Cc3cccnc3)CCO2)c1 ZINC000257279191 534513026 /nfs/dbraw/zinc/51/30/26/534513026.db2.gz OFLOOCRORHWWIG-SFHVURJKSA-N 1 2 350.397 3.251 40 0 FGABLO Fc1cccc(-c2nccnc2[C@@H]2C[N@@H+](Cc3cccnc3)CCO2)c1 ZINC000257279191 534513033 /nfs/dbraw/zinc/51/30/33/534513033.db2.gz OFLOOCRORHWWIG-SFHVURJKSA-N 1 2 350.397 3.251 40 0 FGABLO O=S(=O)(NCCCn1cc[nH+]c1)c1ccc(Oc2ccccc2)cc1 ZINC000020491501 527215389 /nfs/dbraw/zinc/21/53/89/527215389.db2.gz TWBPLEYOGUGYPG-UHFFFAOYSA-N 1 2 357.435 3.044 40 0 FGABLO CN1CC[N@H+](Cc2ccco2)C[C@@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306136541 529774988 /nfs/dbraw/zinc/77/49/88/529774988.db2.gz PWGWORCCQWKHFH-OAQYLSRUSA-N 1 2 373.460 3.478 40 0 FGABLO CN1CC[N@@H+](Cc2ccco2)C[C@@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306136541 529774989 /nfs/dbraw/zinc/77/49/89/529774989.db2.gz PWGWORCCQWKHFH-OAQYLSRUSA-N 1 2 373.460 3.478 40 0 FGABLO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCC[N@@H+]2Cc2cncs2)n1 ZINC000257245679 223036527 /nfs/dbraw/zinc/03/65/27/223036527.db2.gz IQPABYVMEONPRR-HNNXBMFYSA-N 1 2 367.482 3.421 40 0 FGABLO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCC[N@H+]2Cc2cncs2)n1 ZINC000257245679 223036530 /nfs/dbraw/zinc/03/65/30/223036530.db2.gz IQPABYVMEONPRR-HNNXBMFYSA-N 1 2 367.482 3.421 40 0 FGABLO Cc1cc(C)nc([C@H]2C[N@H+](Cc3ccccc3N3CCCC3)CCO2)n1 ZINC000257287325 223051068 /nfs/dbraw/zinc/05/10/68/223051068.db2.gz PPLXJZBHFVPZNP-HXUWFJFHSA-N 1 2 352.482 3.267 40 0 FGABLO Cc1cc(C)nc([C@H]2C[N@@H+](Cc3ccccc3N3CCCC3)CCO2)n1 ZINC000257287325 223051071 /nfs/dbraw/zinc/05/10/71/223051071.db2.gz PPLXJZBHFVPZNP-HXUWFJFHSA-N 1 2 352.482 3.267 40 0 FGABLO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000257301807 223057909 /nfs/dbraw/zinc/05/79/09/223057909.db2.gz RZZDUPZLVLOIKY-CYBMUJFWSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000257301807 223057912 /nfs/dbraw/zinc/05/79/12/223057912.db2.gz RZZDUPZLVLOIKY-CYBMUJFWSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000257301807 223057915 /nfs/dbraw/zinc/05/79/15/223057915.db2.gz RZZDUPZLVLOIKY-CYBMUJFWSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000257301807 223057918 /nfs/dbraw/zinc/05/79/18/223057918.db2.gz RZZDUPZLVLOIKY-CYBMUJFWSA-N 1 2 355.471 3.088 40 0 FGABLO O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257321025 223064871 /nfs/dbraw/zinc/06/48/71/223064871.db2.gz VZTDWFIKNPCDNW-GOSISDBHSA-N 1 2 368.412 3.355 40 0 FGABLO O=C1NC[C@@]2(F)C[N@@H+](Cc3ccccc3-c3cccc(Cl)c3)C[C@@]12F ZINC000306138554 223111637 /nfs/dbraw/zinc/11/16/37/223111637.db2.gz SAQAJZNQMKJRLR-RTBURBONSA-N 1 2 362.807 3.369 40 0 FGABLO O=C1NC[C@@]2(F)C[N@H+](Cc3ccccc3-c3cccc(Cl)c3)C[C@@]12F ZINC000306138554 223111641 /nfs/dbraw/zinc/11/16/41/223111641.db2.gz SAQAJZNQMKJRLR-RTBURBONSA-N 1 2 362.807 3.369 40 0 FGABLO C[C@H](C[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1ccc(Cl)nc1 ZINC000012649213 220015199 /nfs/dbraw/zinc/01/51/99/220015199.db2.gz FYLGAYNTYMYBBH-CYBMUJFWSA-N 1 2 367.877 3.107 40 0 FGABLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)cc(OC)c1OC ZINC000013265220 220061871 /nfs/dbraw/zinc/06/18/71/220061871.db2.gz QQFXOUAJQMTQSA-WMLDXEAASA-N 1 2 355.438 3.073 40 0 FGABLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)cc(OC)c1OC ZINC000013265220 220061874 /nfs/dbraw/zinc/06/18/74/220061874.db2.gz QQFXOUAJQMTQSA-WMLDXEAASA-N 1 2 355.438 3.073 40 0 FGABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCC(=O)C(C)(C)C)C1 ZINC000019524391 220265440 /nfs/dbraw/zinc/26/54/40/220265440.db2.gz XVNRVUZCLJLIKK-HNNXBMFYSA-N 1 2 370.497 3.004 40 0 FGABLO COc1ccccc1Oc1nccnc1[C@@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000257265264 532953168 /nfs/dbraw/zinc/95/31/68/532953168.db2.gz LXXPYWMGJNYWIY-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO COc1ccccc1Oc1nccnc1[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000257265264 532953171 /nfs/dbraw/zinc/95/31/71/532953171.db2.gz LXXPYWMGJNYWIY-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO COc1ccccc1Oc1nccnc1[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000257265264 532953173 /nfs/dbraw/zinc/95/31/73/532953173.db2.gz LXXPYWMGJNYWIY-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO COc1ccccc1Oc1nccnc1[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000257265264 532953175 /nfs/dbraw/zinc/95/31/75/532953175.db2.gz LXXPYWMGJNYWIY-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO Cc1ccc(CN2CNC(Nc3nc(C)c4cccc(C)c4n3)=[NH+]C2)cc1 ZINC000020634240 220337759 /nfs/dbraw/zinc/33/77/59/220337759.db2.gz LAIGAAFKDUMICT-UHFFFAOYSA-N 1 2 360.465 3.343 40 0 FGABLO C[NH+]1CCN(C(=O)c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)CC1 ZINC000059061764 221124096 /nfs/dbraw/zinc/12/40/96/221124096.db2.gz QQZZBDXWJGVBML-UHFFFAOYSA-N 1 2 354.841 3.271 40 0 FGABLO CCOC(=O)C1CCN(C(=O)C2CC[NH+](c3ccc(C)cc3)CC2)CC1 ZINC000219854776 132275206 /nfs/dbraw/zinc/27/52/06/132275206.db2.gz VYRAYRRCAAFYIV-UHFFFAOYSA-N 1 2 358.482 3.013 40 0 FGABLO CC(C)C[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000057669766 136129848 /nfs/dbraw/zinc/12/98/48/136129848.db2.gz CPODDUNUUJKBKN-GOSISDBHSA-N 1 2 356.518 3.338 40 0 FGABLO c1cn2c(n1)C[N@H+](Cc1ccsc1)C[C@H](COCc1cccnc1)C2 ZINC000096059141 222006912 /nfs/dbraw/zinc/00/69/12/222006912.db2.gz BRBVTCWIPNVLQU-SFHVURJKSA-N 1 2 354.479 3.188 40 0 FGABLO c1cn2c(n1)C[N@@H+](Cc1ccsc1)C[C@H](COCc1cccnc1)C2 ZINC000096059141 222006916 /nfs/dbraw/zinc/00/69/16/222006916.db2.gz BRBVTCWIPNVLQU-SFHVURJKSA-N 1 2 354.479 3.188 40 0 FGABLO COc1ccc(NC(=O)c2nc3c(n2C(C)C)CC[N@@H+](C(C)C)C3)cc1 ZINC000096264893 222105874 /nfs/dbraw/zinc/10/58/74/222105874.db2.gz UNCSJPOFWAJKCR-UHFFFAOYSA-N 1 2 356.470 3.491 40 0 FGABLO COc1ccc(NC(=O)c2nc3c(n2C(C)C)CC[N@H+](C(C)C)C3)cc1 ZINC000096264893 222105877 /nfs/dbraw/zinc/10/58/77/222105877.db2.gz UNCSJPOFWAJKCR-UHFFFAOYSA-N 1 2 356.470 3.491 40 0 FGABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(NC3CC3)[nH+]c2)cc1 ZINC000072213787 494144429 /nfs/dbraw/zinc/14/44/29/494144429.db2.gz ORLGTNCNOSAIDN-GOSISDBHSA-N 1 2 357.479 3.490 40 0 FGABLO CCn1cc[nH+]c1CN1CCCC[C@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 ZINC000072380581 494160553 /nfs/dbraw/zinc/16/05/53/494160553.db2.gz QVQHWOBBLGRUMA-SFHVURJKSA-N 1 2 370.501 3.026 40 0 FGABLO C=Cn1ncc(C[N@H+](Cc2ccc(OC)cc2OC)C[C@@H]2CCCO2)c1C ZINC000012187238 494211016 /nfs/dbraw/zinc/21/10/16/494211016.db2.gz VYHIBRIPWWSXMU-FQEVSTJZSA-N 1 2 371.481 3.490 40 0 FGABLO C=Cn1ncc(C[N@@H+](Cc2ccc(OC)cc2OC)C[C@@H]2CCCO2)c1C ZINC000012187238 494211022 /nfs/dbraw/zinc/21/10/22/494211022.db2.gz VYHIBRIPWWSXMU-FQEVSTJZSA-N 1 2 371.481 3.490 40 0 FGABLO CC(C)c1nc2c(c(N3CCOCC3)n1)CC[N@H+](Cc1cccc(F)c1)C2 ZINC000019453711 494444572 /nfs/dbraw/zinc/44/45/72/494444572.db2.gz FQPGGVOFHAVTTM-UHFFFAOYSA-N 1 2 370.472 3.134 40 0 FGABLO CC(C)c1nc2c(c(N3CCOCC3)n1)CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000019453711 494444576 /nfs/dbraw/zinc/44/45/76/494444576.db2.gz FQPGGVOFHAVTTM-UHFFFAOYSA-N 1 2 370.472 3.134 40 0 FGABLO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccc(F)cc3)n[nH]2)cc1OCC ZINC000095534497 494989587 /nfs/dbraw/zinc/98/95/87/494989587.db2.gz CQVYZWJGNAVSIZ-QGZVFWFLSA-N 1 2 356.401 3.456 40 0 FGABLO CC(C)(C)OC(=O)Nc1cncnc1[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000097759014 495045420 /nfs/dbraw/zinc/04/54/20/495045420.db2.gz BPLVADCUOQCWHM-KRWDZBQOSA-N 1 2 370.453 3.397 40 0 FGABLO CC(C)(C)OC(=O)Nc1cncnc1[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000097759014 495045422 /nfs/dbraw/zinc/04/54/22/495045422.db2.gz BPLVADCUOQCWHM-KRWDZBQOSA-N 1 2 370.453 3.397 40 0 FGABLO c1ccc(COCC[C@H]2CCOC3(C[NH+](Cc4ccccn4)C3)C2)nc1 ZINC000247917649 496927676 /nfs/dbraw/zinc/92/76/76/496927676.db2.gz ZPXDTQQACYZNCV-SFHVURJKSA-N 1 2 353.466 3.065 40 0 FGABLO CCOc1ccc(-c2noc(CNC(=S)Nc3cc[nH+]cc3)n2)cc1 ZINC000225832250 497076930 /nfs/dbraw/zinc/07/69/30/497076930.db2.gz FAOQZFJWUJCPSC-UHFFFAOYSA-N 1 2 355.423 3.017 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCNC(=O)c3ccco3)C2)cc1 ZINC000585112163 507576668 /nfs/dbraw/zinc/57/66/68/507576668.db2.gz JXQHXPMBRVYDSU-SFHVURJKSA-N 1 2 364.449 3.162 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCNC(=O)c3ccco3)C2)cc1 ZINC000585112163 507576672 /nfs/dbraw/zinc/57/66/72/507576672.db2.gz JXQHXPMBRVYDSU-SFHVURJKSA-N 1 2 364.449 3.162 40 0 FGABLO C[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000328983666 534129054 /nfs/dbraw/zinc/12/90/54/534129054.db2.gz HHXUYTGVINKMDA-JTQLQIEISA-N 1 2 352.360 3.331 40 0 FGABLO C[C@@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328977202 534130107 /nfs/dbraw/zinc/13/01/07/534130107.db2.gz FRXBDJYIMAUFME-AWEZNQCLSA-N 1 2 368.868 3.046 40 0 FGABLO Cc1ccc(-c2c[nH+]c3n2C[C@@]2(CCN(C(=O)Cc4ccco4)C2)C3)cc1 ZINC000306140871 534196030 /nfs/dbraw/zinc/19/60/30/534196030.db2.gz VFXXRTWKMTVVCX-QFIPXVFZSA-N 1 2 361.445 3.469 40 0 FGABLO CCOc1cc(C=O)ccc1OCC[NH+]1CCN(c2ccccc2)CC1 ZINC000217789737 520691978 /nfs/dbraw/zinc/69/19/78/520691978.db2.gz KWLFEKNZNPVRIL-UHFFFAOYSA-N 1 2 354.450 3.099 40 0 FGABLO Cc1[nH+]cc(-c2nccnc2CC2CCN(C(=O)C(C)(C)C)CC2)n1C ZINC000257340425 534722743 /nfs/dbraw/zinc/72/27/43/534722743.db2.gz ZGASLKHYWSELFA-UHFFFAOYSA-N 1 2 355.486 3.013 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000306125189 534877423 /nfs/dbraw/zinc/87/74/23/534877423.db2.gz CIMTVKZHZROVNM-PKOBYXMFSA-N 1 2 355.415 3.295 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000306125189 534877430 /nfs/dbraw/zinc/87/74/30/534877430.db2.gz CIMTVKZHZROVNM-PKOBYXMFSA-N 1 2 355.415 3.295 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000306131317 534877923 /nfs/dbraw/zinc/87/79/23/534877923.db2.gz KBPUYJRBZLGWRP-XLIONFOSSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000306131317 534877925 /nfs/dbraw/zinc/87/79/25/534877925.db2.gz KBPUYJRBZLGWRP-XLIONFOSSA-N 1 2 366.442 3.097 40 0 FGABLO O=C(NCCSC1CCCCC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020489472 526371016 /nfs/dbraw/zinc/37/10/16/526371016.db2.gz TUFZKZGVCGTAKZ-UHFFFAOYSA-N 1 2 362.539 3.315 40 0 FGABLO CC[C@@H](C)Nc1nc(NCc2ccccc2F)cc(-c2ccncc2)[nH+]1 ZINC000329017262 529357376 /nfs/dbraw/zinc/35/73/76/529357376.db2.gz NKDVPUYXJZEUSI-CQSZACIVSA-N 1 2 351.429 3.344 40 0 FGABLO CC[C@H](C)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000329014788 529702231 /nfs/dbraw/zinc/70/22/31/529702231.db2.gz MYHBTJLXYCZANR-ZDUSSCGKSA-N 1 2 369.419 3.483 40 0 FGABLO O=C(COc1ccc2c(c1)CCCC2)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000223046042 222763509 /nfs/dbraw/zinc/76/35/09/222763509.db2.gz RKKYZQWJEABMSZ-UHFFFAOYSA-N 1 2 361.445 3.446 40 0 FGABLO Cc1nc(N2CCC[C@H]2c2cccc(C(=O)Nc3nccs3)n2)cc[nH+]1 ZINC000257279108 223048053 /nfs/dbraw/zinc/04/80/53/223048053.db2.gz OFAODCTVALPJSD-HNNXBMFYSA-N 1 2 366.450 3.230 40 0 FGABLO Cc1ccc[nH+]c1Nc1ccc([C@H]2CN(C(=O)C(C)(C)C)CCO2)nc1 ZINC000257343475 223072706 /nfs/dbraw/zinc/07/27/06/223072706.db2.gz ZTEJGODKVGSTNL-QGZVFWFLSA-N 1 2 354.454 3.475 40 0 FGABLO Cc1cncc(COCC[C@@H]2CCOC3(C[NH+](Cc4cccnc4)C3)C2)c1 ZINC000306126192 223107506 /nfs/dbraw/zinc/10/75/06/223107506.db2.gz DPERSWANLCIMNB-LJQANCHMSA-N 1 2 367.493 3.373 40 0 FGABLO COc1cc(OC)c(OC)cc1C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(C)ncc12 ZINC000013265221 220062079 /nfs/dbraw/zinc/06/20/79/220062079.db2.gz HPVRTZVIJYJPAI-WMLDXEAASA-N 1 2 355.438 3.073 40 0 FGABLO COc1cc(OC)c(OC)cc1C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(C)ncc12 ZINC000013265221 220062082 /nfs/dbraw/zinc/06/20/82/220062082.db2.gz HPVRTZVIJYJPAI-WMLDXEAASA-N 1 2 355.438 3.073 40 0 FGABLO Cc1nn(C)c(C)c1[C@H](C)NC(=O)Cn1c(C)[nH+]c2cc(C)c(C)cc21 ZINC000019125218 220237000 /nfs/dbraw/zinc/23/70/00/220237000.db2.gz QPARZDPNRJKAGM-ZDUSSCGKSA-N 1 2 353.470 3.189 40 0 FGABLO Cc1nc2c(c(NC[C@@H]3CCCO3)n1)[C@H]1CC[C@@H](C2)[N@@H+]1Cc1cccnc1 ZINC000019286251 220247166 /nfs/dbraw/zinc/24/71/66/220247166.db2.gz JXTXKHYFYIDBDS-JENIJYKNSA-N 1 2 365.481 3.033 40 0 FGABLO Cc1nc2c(c(NC[C@@H]3CCCO3)n1)[C@H]1CC[C@@H](C2)[N@H+]1Cc1cccnc1 ZINC000019286251 220247168 /nfs/dbraw/zinc/24/71/68/220247168.db2.gz JXTXKHYFYIDBDS-JENIJYKNSA-N 1 2 365.481 3.033 40 0 FGABLO CCOc1ccc(-c2n[nH]cc2C[N@@H+]2CCN(C3CCCC3)C(=O)C2)cc1 ZINC000019656741 220280710 /nfs/dbraw/zinc/28/07/10/220280710.db2.gz LCISCWIZGNEWBR-UHFFFAOYSA-N 1 2 368.481 3.062 40 0 FGABLO CCOc1ccc(-c2n[nH]cc2C[N@H+]2CCN(C3CCCC3)C(=O)C2)cc1 ZINC000019656741 220280711 /nfs/dbraw/zinc/28/07/11/220280711.db2.gz LCISCWIZGNEWBR-UHFFFAOYSA-N 1 2 368.481 3.062 40 0 FGABLO O=C(CSCc1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022527176 220389379 /nfs/dbraw/zinc/38/93/79/220389379.db2.gz LVTBSDDMUCECOQ-UHFFFAOYSA-N 1 2 358.482 3.403 40 0 FGABLO CCCSc1ncc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)cn1 ZINC000057822955 221094248 /nfs/dbraw/zinc/09/42/48/221094248.db2.gz HAOODAIUBXLBTL-UHFFFAOYSA-N 1 2 373.522 3.471 40 0 FGABLO COc1ccccc1Oc1cncc([C@@H]2CCCN2Cc2[nH+]ccn2C)n1 ZINC000072384211 221491067 /nfs/dbraw/zinc/49/10/67/221491067.db2.gz QVVSRHDNXVSSHT-INIZCTEOSA-N 1 2 365.437 3.348 40 0 FGABLO Cc1[nH+]cc(-c2cc(CC3CCN(c4cc(C)ncn4)CC3)ccn2)n1C ZINC000257200086 132294596 /nfs/dbraw/zinc/29/45/96/132294596.db2.gz ABXWDLNZCSRWCX-UHFFFAOYSA-N 1 2 362.481 3.348 40 0 FGABLO CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)c(=O)[nH]1 ZINC000257322298 132297339 /nfs/dbraw/zinc/29/73/39/132297339.db2.gz WFJUNUSRODYPNT-OAHLLOKOSA-N 1 2 354.454 3.047 40 0 FGABLO COc1cccc(C[N@H+]2CCN(C(=O)[C@H](OC)c3ccccc3)[C@@H](C)C2)c1 ZINC000019575566 263374206 /nfs/dbraw/zinc/37/42/06/263374206.db2.gz KPXZAACUKXDTNO-LAUBAEHRSA-N 1 2 368.477 3.116 40 0 FGABLO COc1cccc(C[N@@H+]2CCN(C(=O)[C@H](OC)c3ccccc3)[C@@H](C)C2)c1 ZINC000019575566 263374207 /nfs/dbraw/zinc/37/42/07/263374207.db2.gz KPXZAACUKXDTNO-LAUBAEHRSA-N 1 2 368.477 3.116 40 0 FGABLO Nc1nc[nH+]c(N)c1NC(=O)c1ccc(CCc2ccccc2)c(Cl)c1 ZINC000001750837 493798241 /nfs/dbraw/zinc/79/82/41/493798241.db2.gz MDYXPGUURNFASW-UHFFFAOYSA-N 1 2 367.840 3.332 40 0 FGABLO Cc1cc(N2CCOCC2)nc(SCc2nccc3ccccc32)[nH+]1 ZINC000006266359 493956300 /nfs/dbraw/zinc/95/63/00/493956300.db2.gz VWBAEQOZVSVFFK-UHFFFAOYSA-N 1 2 352.463 3.462 40 0 FGABLO CCn1cc(-c2cc(C(=O)NCCCn3cc[nH+]c3)c3ccccc3n2)cn1 ZINC000006265808 493956433 /nfs/dbraw/zinc/95/64/33/493956433.db2.gz GMYAASGFOZNROW-UHFFFAOYSA-N 1 2 374.448 3.135 40 0 FGABLO CC[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000035289920 494073838 /nfs/dbraw/zinc/07/38/38/494073838.db2.gz KKGNEVSWASKYEN-INIZCTEOSA-N 1 2 362.909 3.355 40 0 FGABLO CC[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000035289922 494073933 /nfs/dbraw/zinc/07/39/33/494073933.db2.gz KKGNEVSWASKYEN-MRXNPFEDSA-N 1 2 362.909 3.355 40 0 FGABLO CC(C)[C@H]1C[N@H+](Cc2ccco2)CCN1C(=O)c1ccc2nsnc2c1 ZINC000072324115 494151978 /nfs/dbraw/zinc/15/19/78/494151978.db2.gz IHTXVUPWJFOYGV-GOSISDBHSA-N 1 2 370.478 3.267 40 0 FGABLO CC(C)[C@H]1C[N@@H+](Cc2ccco2)CCN1C(=O)c1ccc2nsnc2c1 ZINC000072324115 494151982 /nfs/dbraw/zinc/15/19/82/494151982.db2.gz IHTXVUPWJFOYGV-GOSISDBHSA-N 1 2 370.478 3.267 40 0 FGABLO CCc1cc(=O)n2[nH]c([C@H]3CC[N@H+](Cc4ccc(OC)cc4F)C3)cc2n1 ZINC000012276590 494218775 /nfs/dbraw/zinc/21/87/75/494218775.db2.gz SZBUMUOMNRTLNG-AWEZNQCLSA-N 1 2 370.428 3.135 40 0 FGABLO CCc1cc(=O)n2[nH]c([C@H]3CC[N@@H+](Cc4ccc(OC)cc4F)C3)cc2n1 ZINC000012276590 494218778 /nfs/dbraw/zinc/21/87/78/494218778.db2.gz SZBUMUOMNRTLNG-AWEZNQCLSA-N 1 2 370.428 3.135 40 0 FGABLO CCc1ccc(NC(=O)C[C@@H]2[NH2+]CCc3c4ccccc4[nH]c3C2=O)cc1 ZINC000014162314 494307308 /nfs/dbraw/zinc/30/73/08/494307308.db2.gz OSRXSLRFWGYTPU-IBGZPJMESA-N 1 2 361.445 3.456 40 0 FGABLO COc1ccc([C@H]([NH3+])c2nc(COc3ccc(Cl)cc3)n[nH]2)cc1OC ZINC000095533792 494989213 /nfs/dbraw/zinc/98/92/13/494989213.db2.gz YMFHHDPNDYXBTH-KRWDZBQOSA-N 1 2 374.828 3.102 40 0 FGABLO COc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3CCOCc2ccccn2)c1 ZINC000247881235 496924714 /nfs/dbraw/zinc/92/47/14/496924714.db2.gz JFLJLYNRZFXHBM-IBGZPJMESA-N 1 2 368.477 3.288 40 0 FGABLO COc1ccc(C[NH+]2CC3(C2)C[C@@H](Oc2ncccc2F)CCO3)cc1 ZINC000247902489 496926224 /nfs/dbraw/zinc/92/62/24/496926224.db2.gz RDSOFJMVMUDNRN-KRWDZBQOSA-N 1 2 358.413 3.042 40 0 FGABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2CCOCc1ccncc1 ZINC000248148316 496964441 /nfs/dbraw/zinc/96/44/41/496964441.db2.gz UKJJXXZFIBZXEC-HXUWFJFHSA-N 1 2 368.477 3.288 40 0 FGABLO CCOC(=O)c1ccc(NC(=S)NCCCn2cc[nH+]c2)cc1Cl ZINC000225521764 497066584 /nfs/dbraw/zinc/06/65/84/497066584.db2.gz XRAFVADNARIICE-UHFFFAOYSA-N 1 2 366.874 3.090 40 0 FGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1ccc(O)c(Cl)c1 ZINC000261363186 497407483 /nfs/dbraw/zinc/40/74/83/497407483.db2.gz GJUKJSSBTHDVHN-OAHLLOKOSA-O 1 2 373.845 3.190 40 0 FGABLO COC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408575635 499592456 /nfs/dbraw/zinc/59/24/56/499592456.db2.gz OKCOVTGNHLIZGA-UHFFFAOYSA-N 1 2 358.463 3.094 40 0 FGABLO COC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408575635 499592457 /nfs/dbraw/zinc/59/24/57/499592457.db2.gz OKCOVTGNHLIZGA-UHFFFAOYSA-N 1 2 358.463 3.094 40 0 FGABLO Cc1c[nH+]c2n1C[C@H](c1ccccc1)N(C(=O)c1cnc(C3CC3)nc1)C2 ZINC000257253098 534667167 /nfs/dbraw/zinc/66/71/67/534667167.db2.gz JXNWDAYKUHVNDR-GOSISDBHSA-N 1 2 359.433 3.256 40 0 FGABLO CC(C)[C@@H](CO)Nc1nc(Nc2c(F)cc(F)cc2F)cc(C2CC2)[nH+]1 ZINC000329004320 528483902 /nfs/dbraw/zinc/48/39/02/528483902.db2.gz KRJNHWAAAZOAFG-OAHLLOKOSA-N 1 2 366.387 3.366 40 0 FGABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Nc4ccccn4)n3)C2)cn1 ZINC000257250239 223037053 /nfs/dbraw/zinc/03/70/53/223037053.db2.gz JLSAWHOFAUQGHG-GOSISDBHSA-N 1 2 364.453 3.010 40 0 FGABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(Nc4ccccn4)n3)C2)cn1 ZINC000257250239 223037056 /nfs/dbraw/zinc/03/70/56/223037056.db2.gz JLSAWHOFAUQGHG-GOSISDBHSA-N 1 2 364.453 3.010 40 0 FGABLO Cc1ccc(C(F)(F)F)cc1Nc1cc(C2CC2)[nH+]c(N[C@H](C)CO)n1 ZINC000328980460 223126911 /nfs/dbraw/zinc/12/69/11/223126911.db2.gz GNRBFMFLNTTYQG-LLVKDONJSA-N 1 2 366.387 3.061 40 0 FGABLO c1ccc(CCNc2cc(-c3cccnc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329026227 223130068 /nfs/dbraw/zinc/13/00/68/223130068.db2.gz PKVKQQZVALIKKK-UHFFFAOYSA-N 1 2 359.477 3.392 40 0 FGABLO Cc1ccc(NC(=O)Cn2c[nH+]c3cc4c(cc32)OCCCO4)c(C)c1 ZINC000014000652 220101921 /nfs/dbraw/zinc/10/19/21/220101921.db2.gz CZTWKLHXYPDHSF-UHFFFAOYSA-N 1 2 351.406 3.453 40 0 FGABLO Cc1[nH+]c2cc(NC(=O)c3cc(=O)[nH]c(C)n3)ccc2n1C1CCCCC1 ZINC000019240931 220243938 /nfs/dbraw/zinc/24/39/38/220243938.db2.gz ZSGRXZNKEOLRKV-UHFFFAOYSA-N 1 2 365.437 3.494 40 0 FGABLO Cc1csc2c([C@@H]3CCCN(C(=O)CCn4cc[nH+]c4)C3)nc(C)n12 ZINC000019240416 220244096 /nfs/dbraw/zinc/24/40/96/220244096.db2.gz KLLRMZUTINKWHJ-OAHLLOKOSA-N 1 2 357.483 3.005 40 0 FGABLO CCOc1ccccc1C[N@@H+]1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 ZINC000019520197 220265971 /nfs/dbraw/zinc/26/59/71/220265971.db2.gz XPXUJRLBVDXPRI-UHFFFAOYSA-N 1 2 362.433 3.201 40 0 FGABLO CCOc1ccccc1C[N@H+]1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 ZINC000019520197 220265976 /nfs/dbraw/zinc/26/59/76/220265976.db2.gz XPXUJRLBVDXPRI-UHFFFAOYSA-N 1 2 362.433 3.201 40 0 FGABLO Cc1cc2[nH+]c(CC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)[nH]c2c(C)c1 ZINC000019568375 220274417 /nfs/dbraw/zinc/27/44/17/220274417.db2.gz ULXWTDOKYVMQQL-AWEZNQCLSA-N 1 2 365.433 3.371 40 0 FGABLO C[N@H+](CC(=O)N[C@H](Cc1ccsc1)c1cccnc1)Cc1ccccn1 ZINC000019586555 220277625 /nfs/dbraw/zinc/27/76/25/220277625.db2.gz LYVDCZDFVBNSOK-LJQANCHMSA-N 1 2 366.490 3.070 40 0 FGABLO C[N@@H+](CC(=O)N[C@H](Cc1ccsc1)c1cccnc1)Cc1ccccn1 ZINC000019586555 220277628 /nfs/dbraw/zinc/27/76/28/220277628.db2.gz LYVDCZDFVBNSOK-LJQANCHMSA-N 1 2 366.490 3.070 40 0 FGABLO CCc1cc(-c2cc(NCc3ccccc3OC(C)C)nc(N)[nH+]2)n(C)n1 ZINC000019655765 220281548 /nfs/dbraw/zinc/28/15/48/220281548.db2.gz VLQRQHQSSIDHRE-UHFFFAOYSA-N 1 2 366.469 3.421 40 0 FGABLO Cc1c([C@@H](C)NC(=O)c2cccc(Nc3cc(C)[nH+]c(C)n3)c2)cnn1C ZINC000019662099 220284243 /nfs/dbraw/zinc/28/42/43/220284243.db2.gz PFKVRVFYGBLNGW-CYBMUJFWSA-N 1 2 364.453 3.370 40 0 FGABLO COc1ccc(Br)cc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000020258521 220320281 /nfs/dbraw/zinc/32/02/81/220320281.db2.gz MICISGQRIXKTMT-UHFFFAOYSA-N 1 2 365.271 3.369 40 0 FGABLO O=C(N[C@H]1CCCc2ccccc21)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000022515783 220388253 /nfs/dbraw/zinc/38/82/53/220388253.db2.gz NIKNZLKRIVXCIB-NRFANRHFSA-N 1 2 350.462 3.326 40 0 FGABLO Cc1nc(N2CCO[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)cc[nH+]1 ZINC000257283439 132296309 /nfs/dbraw/zinc/29/63/09/132296309.db2.gz OYIOWTDYJFNCBH-KRWDZBQOSA-N 1 2 354.385 3.081 40 0 FGABLO Cc1c[nH]c(-c2cc(C)nc(CC3CCN(c4cc[nH+]c(C)n4)CC3)n2)n1 ZINC000257328350 132296997 /nfs/dbraw/zinc/29/69/97/132296997.db2.gz XFGAWSLDGIAFOJ-UHFFFAOYSA-N 1 2 363.469 3.041 40 0 FGABLO Cc1cc2nc(CO[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3F)[nH]c2cc1C ZINC000096112343 222029671 /nfs/dbraw/zinc/02/96/71/222029671.db2.gz ACZJPTFHOSIMOY-APWZRJJASA-N 1 2 354.429 3.314 40 0 biogenic,in-vitro FGABLO Cc1cc2nc(CO[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3F)[nH]c2cc1C ZINC000096112343 222029673 /nfs/dbraw/zinc/02/96/73/222029673.db2.gz ACZJPTFHOSIMOY-APWZRJJASA-N 1 2 354.429 3.314 40 0 biogenic,in-vitro FGABLO COc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ncccc4C)C[C@H]3F)nc2c1 ZINC000096112279 222029965 /nfs/dbraw/zinc/02/99/65/222029965.db2.gz GKRHDPVBSULECK-BEFAXECRSA-N 1 2 370.428 3.014 40 0 biogenic,in-vitro FGABLO COc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ncccc4C)C[C@H]3F)nc2c1 ZINC000096112279 222029966 /nfs/dbraw/zinc/02/99/66/222029966.db2.gz GKRHDPVBSULECK-BEFAXECRSA-N 1 2 370.428 3.014 40 0 biogenic,in-vitro FGABLO CCc1cc(=O)n2[nH]c([C@@H]3CC[N@H+](Cc4cccc(C)c4OC)C3)cc2n1 ZINC000100742494 222251152 /nfs/dbraw/zinc/25/11/52/222251152.db2.gz KBSKZVMQMYQEPD-OAHLLOKOSA-N 1 2 366.465 3.304 40 0 FGABLO CCc1cc(=O)n2[nH]c([C@@H]3CC[N@@H+](Cc4cccc(C)c4OC)C3)cc2n1 ZINC000100742494 222251155 /nfs/dbraw/zinc/25/11/55/222251155.db2.gz KBSKZVMQMYQEPD-OAHLLOKOSA-N 1 2 366.465 3.304 40 0 FGABLO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccco2)n1 ZINC000035424983 494076727 /nfs/dbraw/zinc/07/67/27/494076727.db2.gz SGOLIFYWXMODOM-INIZCTEOSA-N 1 2 370.409 3.087 40 0 biogenic,in-vitro FGABLO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccco2)n1 ZINC000035424983 494076731 /nfs/dbraw/zinc/07/67/31/494076731.db2.gz SGOLIFYWXMODOM-INIZCTEOSA-N 1 2 370.409 3.087 40 0 biogenic,in-vitro FGABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc[nH+]1 ZINC000072360787 494158355 /nfs/dbraw/zinc/15/83/55/494158355.db2.gz WXWXDLCOFMNZEI-HNNXBMFYSA-N 1 2 362.437 3.465 40 0 FGABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 ZINC000072378877 494160972 /nfs/dbraw/zinc/16/09/72/494160972.db2.gz IYTHNCLTCGTHCL-QGZVFWFLSA-N 1 2 361.449 3.245 40 0 FGABLO COc1ccccc1[C@H](NC(=O)c1nccc2ccccc21)c1[nH+]ccn1C ZINC000012114912 494204975 /nfs/dbraw/zinc/20/49/75/494204975.db2.gz ZABHLICNYWNKHO-IBGZPJMESA-N 1 2 372.428 3.496 40 0 FGABLO COc1ccccc1[C@H](NC(=O)[C@@H](OC)c1ccccc1)c1[nH+]ccn1C ZINC000012114908 494205175 /nfs/dbraw/zinc/20/51/75/494205175.db2.gz SZGRFASIVVNAIJ-OALUTQOASA-N 1 2 365.433 3.022 40 0 FGABLO C=Cn1cc(C[N@H+](Cc2ccc(OC)cc2OC)C[C@@H]2CCCO2)c(C)n1 ZINC000012187216 494211843 /nfs/dbraw/zinc/21/18/43/494211843.db2.gz UJUYXCAPIDZPAI-FQEVSTJZSA-N 1 2 371.481 3.490 40 0 FGABLO C=Cn1cc(C[N@@H+](Cc2ccc(OC)cc2OC)C[C@@H]2CCCO2)c(C)n1 ZINC000012187216 494211846 /nfs/dbraw/zinc/21/18/46/494211846.db2.gz UJUYXCAPIDZPAI-FQEVSTJZSA-N 1 2 371.481 3.490 40 0 FGABLO Cc1nc2cc([C@@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)[nH]n2c(=O)c1C ZINC000012255311 494217771 /nfs/dbraw/zinc/21/77/71/494217771.db2.gz DNJXAPHSTXQOSY-CQSZACIVSA-N 1 2 358.392 3.319 40 0 FGABLO Cc1nc2cc([C@@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)[nH]n2c(=O)c1C ZINC000012255311 494217777 /nfs/dbraw/zinc/21/77/77/494217777.db2.gz DNJXAPHSTXQOSY-CQSZACIVSA-N 1 2 358.392 3.319 40 0 FGABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](CCc4ccccc4)C3)[nH]n2c1=O ZINC000012276359 494219503 /nfs/dbraw/zinc/21/95/03/494219503.db2.gz SERIWLKKZXTKPC-KRWDZBQOSA-N 1 2 350.466 3.338 40 0 FGABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](CCc4ccccc4)C3)[nH]n2c1=O ZINC000012276359 494219507 /nfs/dbraw/zinc/21/95/07/494219507.db2.gz SERIWLKKZXTKPC-KRWDZBQOSA-N 1 2 350.466 3.338 40 0 FGABLO O=C1CCCN1C[C@H]1C[N@H+](Cc2cccc3ccccc32)Cc2cncn21 ZINC000247847292 496921411 /nfs/dbraw/zinc/92/14/11/496921411.db2.gz FECIAKJZYZVZFO-HXUWFJFHSA-N 1 2 360.461 3.216 40 0 FGABLO O=C1CCCN1C[C@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2cncn21 ZINC000247847292 496921415 /nfs/dbraw/zinc/92/14/15/496921415.db2.gz FECIAKJZYZVZFO-HXUWFJFHSA-N 1 2 360.461 3.216 40 0 FGABLO O=C1CCCN1C[C@H]1CN(Cc2cccc3ccccc32)Cc2c[nH+]cn21 ZINC000247847292 496921417 /nfs/dbraw/zinc/92/14/17/496921417.db2.gz FECIAKJZYZVZFO-HXUWFJFHSA-N 1 2 360.461 3.216 40 0 FGABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](OCc1cccc(C)n1)CCO2 ZINC000247861008 496921692 /nfs/dbraw/zinc/92/16/92/496921692.db2.gz GKAZXAFYHMWDPS-KRWDZBQOSA-N 1 2 359.495 3.105 40 0 FGABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](OCC1CCOCC1)CCO2 ZINC000253599389 497344672 /nfs/dbraw/zinc/34/46/72/497344672.db2.gz PAMUKMOEFUFJLN-KRWDZBQOSA-N 1 2 351.512 3.233 40 0 FGABLO Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NCCO)n1 ZINC000328989641 499009171 /nfs/dbraw/zinc/00/91/71/499009171.db2.gz ILAQCBOOQVBOFR-UHFFFAOYSA-N 1 2 368.868 3.405 40 0 FGABLO Cc1ccc2nc(C(=O)N3Cc4[nH+]ccn4C[C@@H]3c3ccccc3)cn2c1 ZINC000257205258 534488570 /nfs/dbraw/zinc/48/85/70/534488570.db2.gz AYGDAKGCPUTUBS-GOSISDBHSA-N 1 2 357.417 3.237 40 0 FGABLO c1csc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329019928 534522798 /nfs/dbraw/zinc/52/27/98/534522798.db2.gz NZSKPYIYOCIKAU-UHFFFAOYSA-N 1 2 351.479 3.411 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000306141070 534877260 /nfs/dbraw/zinc/87/72/60/534877260.db2.gz VKQKSDYFCWNRAK-FXAWDEMLSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000306141070 534877263 /nfs/dbraw/zinc/87/72/63/534877263.db2.gz VKQKSDYFCWNRAK-FXAWDEMLSA-N 1 2 366.442 3.097 40 0 FGABLO C[C@@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000257281144 223049703 /nfs/dbraw/zinc/04/97/03/223049703.db2.gz ONVLPHAXWIKGSB-FQEVSTJZSA-N 1 2 368.412 3.139 40 0 FGABLO COCCn1cc[nH+]c1[C@H]1CN(Cc2nccs2)Cc2ccccc21 ZINC000306124099 223107556 /nfs/dbraw/zinc/10/75/56/223107556.db2.gz BGDHMPQXDPCTQJ-KRWDZBQOSA-N 1 2 354.479 3.134 40 0 FGABLO c1cc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc2c1OCO2 ZINC000329018401 223129551 /nfs/dbraw/zinc/12/95/51/223129551.db2.gz NRPOFKKVHIRZMK-UHFFFAOYSA-N 1 2 352.438 3.415 40 0 FGABLO COc1ccc(C[N@H+](Cc2ccncc2)Cc2cnc(N(C)C)nc2)cc1 ZINC000013570246 220075147 /nfs/dbraw/zinc/07/51/47/220075147.db2.gz XWMLANIUDSKVSE-UHFFFAOYSA-N 1 2 363.465 3.149 40 0 FGABLO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2cnc(N(C)C)nc2)cc1 ZINC000013570246 220075151 /nfs/dbraw/zinc/07/51/51/220075151.db2.gz XWMLANIUDSKVSE-UHFFFAOYSA-N 1 2 363.465 3.149 40 0 FGABLO O[C@@H]1C[C@@H](c2nc(C3CC3)no2)[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000015674775 220159553 /nfs/dbraw/zinc/15/95/53/220159553.db2.gz SODFLXAIUSQLSV-OCCSQVGLSA-N 1 2 369.343 3.154 40 0 biogenic,in-vitro FGABLO O[C@@H]1C[C@@H](c2nc(C3CC3)no2)[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000015674775 220159556 /nfs/dbraw/zinc/15/95/56/220159556.db2.gz SODFLXAIUSQLSV-OCCSQVGLSA-N 1 2 369.343 3.154 40 0 biogenic,in-vitro FGABLO Cc1csc2c(C3CCN(C(=O)CCn4cc[nH+]c4)CC3)nc(C)n12 ZINC000019240548 220243343 /nfs/dbraw/zinc/24/33/43/220243343.db2.gz XFKMRNZQBNOMCS-UHFFFAOYSA-N 1 2 357.483 3.005 40 0 FGABLO c1csc(-c2cnc(NCC[NH+]3CCOCC3)nc2-c2nccs2)c1 ZINC000019344622 220251916 /nfs/dbraw/zinc/25/19/16/220251916.db2.gz HAPGWLASXJRWIT-UHFFFAOYSA-N 1 2 373.507 3.073 40 0 FGABLO COc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc(OC)c1 ZINC000329020885 532963803 /nfs/dbraw/zinc/96/38/03/532963803.db2.gz OESKISMNPWVQAH-UHFFFAOYSA-N 1 2 362.433 3.323 40 0 FGABLO Cc1cc2[nH]c(CCNC(=O)c3cc(=O)n(C)c4ccccc34)[nH+]c2cc1C ZINC000019714376 220289043 /nfs/dbraw/zinc/28/90/43/220289043.db2.gz VZCKHGUHEPJJQY-UHFFFAOYSA-N 1 2 374.444 3.004 40 0 FGABLO COc1ccc(Nc2cc(N)nc(-c3ccc(OC)c(OC)c3)[nH+]2)cc1 ZINC000049468189 221023350 /nfs/dbraw/zinc/02/33/50/221023350.db2.gz PJMDOASIHOOVSP-UHFFFAOYSA-N 1 2 352.394 3.495 40 0 FGABLO COc1ccc(Nc2cc(N)[nH+]c(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000049468189 221023352 /nfs/dbraw/zinc/02/33/52/221023352.db2.gz PJMDOASIHOOVSP-UHFFFAOYSA-N 1 2 352.394 3.495 40 0 FGABLO Cn1cc[nH+]c1CN1CCOC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000067898556 221303198 /nfs/dbraw/zinc/30/31/98/221303198.db2.gz GYIOGBPDVVBMCH-INIZCTEOSA-N 1 2 357.845 3.037 40 0 biogenic,in-vitro FGABLO CC(C)C[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057669778 136129872 /nfs/dbraw/zinc/12/98/72/136129872.db2.gz CFEDVVBWFITWMJ-GOSISDBHSA-N 1 2 374.508 3.477 40 0 FGABLO COc1cccc(Oc2cncc([C@H]3CCC[N@H+](Cc4c[nH]cn4)C3)n2)c1 ZINC000257217941 533678440 /nfs/dbraw/zinc/67/84/40/533678440.db2.gz DBFJJIYIKJUZLV-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2cncc([C@H]3CCC[N@@H+](Cc4c[nH]cn4)C3)n2)c1 ZINC000257217941 533678449 /nfs/dbraw/zinc/67/84/49/533678449.db2.gz DBFJJIYIKJUZLV-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2cncc([C@H]3CCC[N@H+](Cc4cnc[nH]4)C3)n2)c1 ZINC000257217941 533678452 /nfs/dbraw/zinc/67/84/52/533678452.db2.gz DBFJJIYIKJUZLV-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2cncc([C@H]3CCC[N@@H+](Cc4cnc[nH]4)C3)n2)c1 ZINC000257217941 533678457 /nfs/dbraw/zinc/67/84/57/533678457.db2.gz DBFJJIYIKJUZLV-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO Cc1cc2nc(CO[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3F)[nH]c2cc1C ZINC000096112342 222029151 /nfs/dbraw/zinc/02/91/51/222029151.db2.gz JPNCARVVMIBOBS-APWZRJJASA-N 1 2 354.429 3.314 40 0 biogenic,in-vitro FGABLO Cc1cc2nc(CO[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3F)[nH]c2cc1C ZINC000096112342 222029155 /nfs/dbraw/zinc/02/91/55/222029155.db2.gz JPNCARVVMIBOBS-APWZRJJASA-N 1 2 354.429 3.314 40 0 biogenic,in-vitro FGABLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)ncc1C(=O)N(C)C ZINC000072345465 494154554 /nfs/dbraw/zinc/15/45/54/494154554.db2.gz CHXGTRALXNEABP-SFHVURJKSA-N 1 2 356.445 3.353 40 0 FGABLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)ncc1C(=O)N(C)C ZINC000072345465 494154558 /nfs/dbraw/zinc/15/45/58/494154558.db2.gz CHXGTRALXNEABP-SFHVURJKSA-N 1 2 356.445 3.353 40 0 FGABLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377436 494159370 /nfs/dbraw/zinc/15/93/70/494159370.db2.gz WSQHXYCZQSWDMI-GOSISDBHSA-N 1 2 362.437 3.356 40 0 FGABLO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377436 494159374 /nfs/dbraw/zinc/15/93/74/494159374.db2.gz WSQHXYCZQSWDMI-GOSISDBHSA-N 1 2 362.437 3.356 40 0 FGABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2cnccn2)n1 ZINC000072379177 494160886 /nfs/dbraw/zinc/16/08/86/494160886.db2.gz ASZIRHZGWCRRRZ-KRWDZBQOSA-N 1 2 362.437 3.158 40 0 FGABLO CCn1cc[nH+]c1CN1CCCC[C@@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 ZINC000072380580 494161052 /nfs/dbraw/zinc/16/10/52/494161052.db2.gz QVQHWOBBLGRUMA-GOSISDBHSA-N 1 2 370.501 3.026 40 0 FGABLO Cc1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCC[C@H](O)C4)cc3)cc2c1 ZINC000012088301 494202793 /nfs/dbraw/zinc/20/27/93/494202793.db2.gz VTMSNDRFAMEVSS-FQEVSTJZSA-N 1 2 363.461 3.410 40 0 FGABLO CCn1c[nH+]cc1CN(Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000012147668 494209465 /nfs/dbraw/zinc/20/94/65/494209465.db2.gz VBCCBXZGLYRIEU-UHFFFAOYSA-N 1 2 350.422 3.229 40 0 FGABLO Cc1ccc([C@@H]([NH3+])c2nc(-c3cc(Br)ccc3O)n[nH]2)cc1 ZINC000095534135 494989732 /nfs/dbraw/zinc/98/97/32/494989732.db2.gz FNTGRCCGOXWSKT-CQSZACIVSA-N 1 2 359.227 3.296 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3cncn3[C@H](COCC3CCOCC3)C2)s1 ZINC000248061530 496950549 /nfs/dbraw/zinc/95/05/49/496950549.db2.gz DAWKMIGALSVCES-SFHVURJKSA-N 1 2 361.511 3.253 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3cncn3[C@H](COCC3CCOCC3)C2)s1 ZINC000248061530 496950551 /nfs/dbraw/zinc/95/05/51/496950551.db2.gz DAWKMIGALSVCES-SFHVURJKSA-N 1 2 361.511 3.253 40 0 FGABLO Cc1ccc(CN2Cc3c[nH+]cn3[C@H](COCC3CCOCC3)C2)s1 ZINC000248061530 496950553 /nfs/dbraw/zinc/95/05/53/496950553.db2.gz DAWKMIGALSVCES-SFHVURJKSA-N 1 2 361.511 3.253 40 0 FGABLO COc1ccccc1C[N@H+]1Cc2ccnn2[C@H](COCc2cccnc2)C1 ZINC000248120309 496956296 /nfs/dbraw/zinc/95/62/96/496956296.db2.gz DOHAYDGZAPXRNZ-FQEVSTJZSA-N 1 2 364.449 3.060 40 0 FGABLO COc1ccccc1C[N@@H+]1Cc2ccnn2[C@H](COCc2cccnc2)C1 ZINC000248120309 496956299 /nfs/dbraw/zinc/95/62/99/496956299.db2.gz DOHAYDGZAPXRNZ-FQEVSTJZSA-N 1 2 364.449 3.060 40 0 FGABLO O=C(COc1cccc2c1CCCC2)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000224670058 497051875 /nfs/dbraw/zinc/05/18/75/497051875.db2.gz POCQNUNCPYZYNZ-UHFFFAOYSA-N 1 2 361.445 3.446 40 0 FGABLO S=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc2c(c1)OCO2 ZINC000225453199 497063788 /nfs/dbraw/zinc/06/37/88/497063788.db2.gz MRTSXOFPMUJHLI-UHFFFAOYSA-N 1 2 352.419 3.088 40 0 FGABLO O=C(CSCc1ccccc1Br)NCCCn1cc[nH+]c1 ZINC000408574900 499592472 /nfs/dbraw/zinc/59/24/72/499592472.db2.gz MMRKPQGOOTUMIN-UHFFFAOYSA-N 1 2 368.300 3.085 40 0 FGABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(C(=O)C(C)(C)C)C3)n2)n1C ZINC000257337334 534722693 /nfs/dbraw/zinc/72/26/93/534722693.db2.gz YSKDRVLZYMNCHT-OAHLLOKOSA-N 1 2 355.486 3.013 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000306142340 534877508 /nfs/dbraw/zinc/87/75/08/534877508.db2.gz WWHSTHTWZRBVCL-ICSRJNTNSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000306142340 534877513 /nfs/dbraw/zinc/87/75/13/534877513.db2.gz WWHSTHTWZRBVCL-ICSRJNTNSA-N 1 2 366.442 3.097 40 0 FGABLO CC(=O)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2csc(C)n2)C1 ZINC000306126899 526685367 /nfs/dbraw/zinc/68/53/67/526685367.db2.gz FIJOMPCNWWQBSO-SFHVURJKSA-N 1 2 352.463 3.190 40 0 FGABLO CCc1cc(-c2cc(NCCCOc3ccccc3C)nc(N)[nH+]2)n(C)n1 ZINC000257305561 529503170 /nfs/dbraw/zinc/50/31/70/529503170.db2.gz SQODPOOFZIBQSB-UHFFFAOYSA-N 1 2 366.469 3.211 40 0 FGABLO Cc1nc(N2CC[C@H](c3c4cccnc4sc3C(=O)N(C)C)C2)cc[nH+]1 ZINC000257207531 223020297 /nfs/dbraw/zinc/02/02/97/223020297.db2.gz BIEQTKNICDGPCU-ZDUSSCGKSA-N 1 2 367.478 3.090 40 0 FGABLO O=C(CC1CCCC1)N1CCC[C@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257201271 223017396 /nfs/dbraw/zinc/01/73/96/223017396.db2.gz AGZBUEODADCETA-FQEVSTJZSA-N 1 2 357.498 3.158 40 0 FGABLO O=C(c1ccc(F)cc1)N1C[C@@H]2CCn3c(-c4ccncc4)c[nH+]c3[C@H]2C1 ZINC000306131564 223108768 /nfs/dbraw/zinc/10/87/68/223108768.db2.gz KIQJDGRSALCNIV-WMZOPIPTSA-N 1 2 362.408 3.344 40 0 FGABLO O=C(C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)NCc1ccccc1F ZINC000015936067 220172245 /nfs/dbraw/zinc/17/22/45/220172245.db2.gz XEDYEZFRWPQYFS-UHFFFAOYSA-N 1 2 372.415 3.176 40 0 FGABLO CCc1[nH+]c2cc(NC(=O)[C@@H](C)Cn3nc(C)nc3C)ccc2n1CC ZINC000019523196 220266344 /nfs/dbraw/zinc/26/63/44/220266344.db2.gz UIYSOBMHCVXSLO-LBPRGKRZSA-N 1 2 354.458 3.102 40 0 FGABLO C[C@H]1C[N@H+](Cc2ccco2)[C@@H](C)CN1C(=O)c1cc(-c2ccco2)on1 ZINC000057796528 221093705 /nfs/dbraw/zinc/09/37/05/221093705.db2.gz QVZUGPJDNDMBQR-KBPBESRZSA-N 1 2 355.394 3.263 40 0 FGABLO C[C@H]1C[N@@H+](Cc2ccco2)[C@@H](C)CN1C(=O)c1cc(-c2ccco2)on1 ZINC000057796528 221093707 /nfs/dbraw/zinc/09/37/07/221093707.db2.gz QVZUGPJDNDMBQR-KBPBESRZSA-N 1 2 355.394 3.263 40 0 FGABLO CCc1[nH+]ccn1-c1nccnc1C1CCN(C(=O)c2ccccc2)CC1 ZINC000072350525 221476165 /nfs/dbraw/zinc/47/61/65/221476165.db2.gz QAFLBFDJFQMOPD-UHFFFAOYSA-N 1 2 361.449 3.245 40 0 FGABLO CC(C)Nc1nc(Nc2ccc(N3CCOCC3)cc2)cc(C2CC2)[nH+]1 ZINC000328978333 132372010 /nfs/dbraw/zinc/37/20/10/132372010.db2.gz FXQFZKQPYXSHOM-UHFFFAOYSA-N 1 2 353.470 3.176 40 0 FGABLO Cc1cc(NC(=O)[C@@H]2C[C@]3(CO2)CN(C(C)C)c2ccccc23)cc[nH+]1 ZINC000096262828 222104979 /nfs/dbraw/zinc/10/49/79/222104979.db2.gz RZEYSHSJRQAHPC-PZJWPPBQSA-N 1 2 351.450 3.284 40 0 FGABLO O=C(CCc1ccccc1)N1CCC(c2nccnc2-n2cc[nH+]c2)CC1 ZINC000072350580 494155931 /nfs/dbraw/zinc/15/59/31/494155931.db2.gz UXBQWXQKMRDCLE-UHFFFAOYSA-N 1 2 361.449 3.001 40 0 FGABLO CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000072350526 494155979 /nfs/dbraw/zinc/15/59/79/494155979.db2.gz HCARHUSXNHTMQI-QGZVFWFLSA-N 1 2 361.449 3.245 40 0 FGABLO Cc1ncccc1Oc1nccnc1[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000072384346 494162348 /nfs/dbraw/zinc/16/23/48/494162348.db2.gz CHVVADLDRPKYFT-OAHLLOKOSA-N 1 2 350.426 3.075 40 0 FGABLO Cc1ncccc1Oc1nccnc1[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000072384346 494162353 /nfs/dbraw/zinc/16/23/53/494162353.db2.gz CHVVADLDRPKYFT-OAHLLOKOSA-N 1 2 350.426 3.075 40 0 FGABLO CCn1c[nH+]cc1CN(Cc1ccc(OC)cc1OC)C[C@H]1CCCO1 ZINC000012116785 494205500 /nfs/dbraw/zinc/20/55/00/494205500.db2.gz WGLPNURPNLSFAT-LJQANCHMSA-N 1 2 359.470 3.101 40 0 FGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCc2cccc(F)c2)C1 ZINC000012116446 494206338 /nfs/dbraw/zinc/20/63/38/494206338.db2.gz FXLSEHWVJNNXMO-MRXNPFEDSA-N 1 2 366.440 3.245 40 0 FGABLO Cc1nc2cc([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)[nH]n2c(=O)c1C ZINC000012255314 494218177 /nfs/dbraw/zinc/21/81/77/494218177.db2.gz DNJXAPHSTXQOSY-AWEZNQCLSA-N 1 2 358.392 3.319 40 0 FGABLO Cc1nc2cc([C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)[nH]n2c(=O)c1C ZINC000012255314 494218181 /nfs/dbraw/zinc/21/81/81/494218181.db2.gz DNJXAPHSTXQOSY-AWEZNQCLSA-N 1 2 358.392 3.319 40 0 FGABLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cc(N)cc(C(F)(F)F)c2)CC1 ZINC000044563862 494366248 /nfs/dbraw/zinc/36/62/48/494366248.db2.gz SGYDSZRWGHGZRM-UHFFFAOYSA-N 1 2 359.392 3.340 40 0 FGABLO CCOc1ccc(-c2nnc([C@H]([NH3+])c3cccc(OC)c3)[nH]2)cc1OCC ZINC000095533632 494989084 /nfs/dbraw/zinc/98/90/84/494989084.db2.gz TWJOQHYOQBMBDZ-GOSISDBHSA-N 1 2 368.437 3.326 40 0 FGABLO CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CC[N@H+]1Cc1ccco1 ZINC000096044546 494998837 /nfs/dbraw/zinc/99/88/37/494998837.db2.gz PPLFYRPJNMFERG-LJQANCHMSA-N 1 2 359.470 3.039 40 0 FGABLO CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CC[N@@H+]1Cc1ccco1 ZINC000096044546 494998840 /nfs/dbraw/zinc/99/88/40/494998840.db2.gz PPLFYRPJNMFERG-LJQANCHMSA-N 1 2 359.470 3.039 40 0 FGABLO COc1cccc2c1OC(C)(C)[C@H]1CC3(C[NH+](Cc4cc[nH]n4)C3)CO[C@H]21 ZINC000257274535 533895098 /nfs/dbraw/zinc/89/50/98/533895098.db2.gz NLMFINBPQZKXKY-FUHWJXTLSA-N 1 2 369.465 3.169 40 0 FGABLO C[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(C2CC2)[nH+]1 ZINC000329004801 534128864 /nfs/dbraw/zinc/12/88/64/534128864.db2.gz KTVDSDXPDRCCKT-VIFPVBQESA-N 1 2 353.253 3.041 40 0 FGABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](c2nccnc2Nc2cccc(C)n2)C1 ZINC000257330154 534853898 /nfs/dbraw/zinc/85/38/98/534853898.db2.gz XNCVPIPMLAHIAV-MRXNPFEDSA-N 1 2 363.469 3.335 40 0 FGABLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](c2nccnc2Nc2cccc(C)n2)C1 ZINC000257330154 534853901 /nfs/dbraw/zinc/85/39/01/534853901.db2.gz XNCVPIPMLAHIAV-MRXNPFEDSA-N 1 2 363.469 3.335 40 0 FGABLO CCCNc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)C3CCC3)C2)cc[nH+]1 ZINC000257268378 528561229 /nfs/dbraw/zinc/56/12/29/528561229.db2.gz MLKVWUIRKBOTCQ-MRXNPFEDSA-N 1 2 353.470 3.410 40 0 FGABLO CCCNc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)C3CCC3)C2)cc[nH+]1 ZINC000257268377 528561308 /nfs/dbraw/zinc/56/13/08/528561308.db2.gz MLKVWUIRKBOTCQ-INIZCTEOSA-N 1 2 353.470 3.410 40 0 FGABLO CC(C)[C@H](CO)Nc1nc(NCc2cccs2)cc(-c2cccnc2)[nH+]1 ZINC000328976108 529025261 /nfs/dbraw/zinc/02/52/61/529025261.db2.gz FNHVCUYYAUKMJL-KRWDZBQOSA-N 1 2 369.494 3.063 40 0 FGABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)c(F)c2F)cc(C2CC2)[nH+]1 ZINC000328961606 529025483 /nfs/dbraw/zinc/02/54/83/529025483.db2.gz BENGAOKXQWOMPQ-AWEZNQCLSA-N 1 2 366.387 3.366 40 0 FGABLO CC[C@@H](C)Nc1nc(NCc2ccccc2OC)cc(-c2cccnc2)[nH+]1 ZINC000329009648 529356779 /nfs/dbraw/zinc/35/67/79/529356779.db2.gz LWFIGVZXWVZXPP-OAHLLOKOSA-N 1 2 363.465 3.214 40 0 FGABLO C[C@H](CCc1ccccc1)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044904357 205114445 /nfs/dbraw/zinc/11/44/45/205114445.db2.gz PLAXWASDGDHXKH-GOSISDBHSA-N 1 2 352.478 3.270 40 0 FGABLO CCn1ncc(C[N@@H+](Cc2cc(OC)ccc2OC)C[C@@H]2CCCO2)c1C ZINC000057811256 205246066 /nfs/dbraw/zinc/24/60/66/205246066.db2.gz DVQKYJLICJQJGN-FQEVSTJZSA-N 1 2 373.497 3.410 40 0 FGABLO CCn1ncc(C[N@H+](Cc2cc(OC)ccc2OC)C[C@@H]2CCCO2)c1C ZINC000057811256 205246070 /nfs/dbraw/zinc/24/60/70/205246070.db2.gz DVQKYJLICJQJGN-FQEVSTJZSA-N 1 2 373.497 3.410 40 0 FGABLO C[N@@H+]1C[C@@H](NC(=O)C2CCCCC2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529955 206292584 /nfs/dbraw/zinc/29/25/84/206292584.db2.gz AJXIPXDTHIOEFG-IRXDYDNUSA-N 1 2 372.444 3.317 40 0 biogenic,in-vitro FGABLO C[N@H+]1C[C@@H](NC(=O)C2CCCCC2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529955 206292589 /nfs/dbraw/zinc/29/25/89/206292589.db2.gz AJXIPXDTHIOEFG-IRXDYDNUSA-N 1 2 372.444 3.317 40 0 biogenic,in-vitro FGABLO c1coc(C[NH+]2CCN(c3nccn4c(-c5ccsc5)cnc34)CC2)c1 ZINC000306143135 132301980 /nfs/dbraw/zinc/30/19/80/132301980.db2.gz XTYGSMISVRFNMY-UHFFFAOYSA-N 1 2 365.462 3.373 40 0 FGABLO CSc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000030750894 493905411 /nfs/dbraw/zinc/90/54/11/493905411.db2.gz WXOFJLLEMPQEGS-UHFFFAOYSA-N 1 2 359.476 3.073 40 0 FGABLO COc1ccc(/C=C2/SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1OC ZINC000033921513 494064072 /nfs/dbraw/zinc/06/40/72/494064072.db2.gz URLVJELNFNJXIE-LFIBNONCSA-N 1 2 362.451 3.184 40 0 FGABLO CC(C)n1nnnc1[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000035310699 494073857 /nfs/dbraw/zinc/07/38/57/494073857.db2.gz CFQJLWUSLYRKET-HXUWFJFHSA-N 1 2 362.481 3.166 40 0 FGABLO COc1ccc(Oc2cncc([C@@H]3CCCN3Cc3[nH+]ccn3C)n2)cc1 ZINC000072384209 494162574 /nfs/dbraw/zinc/16/25/74/494162574.db2.gz WLVUIKLFHWQEHU-SFHVURJKSA-N 1 2 365.437 3.348 40 0 FGABLO CCCOc1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1OCCC ZINC000072414225 494167852 /nfs/dbraw/zinc/16/78/52/494167852.db2.gz KLPGIJXKFFKOKG-UHFFFAOYSA-N 1 2 350.440 3.460 40 0 FGABLO CC1CCC(NC(=O)C2CCN(c3[nH+]c4ccccc4n3C)CC2)CC1 ZINC000012116327 494206372 /nfs/dbraw/zinc/20/63/72/494206372.db2.gz IUNJDMGJXMKELA-UHFFFAOYSA-N 1 2 354.498 3.485 40 0 FGABLO Cn1ccnc1C[N@@H+]1CCC[C@@H](n2nnc3cc(C(F)(F)F)ccc32)C1 ZINC000012143344 494208261 /nfs/dbraw/zinc/20/82/61/494208261.db2.gz DZTAXXNMIIEUMW-CYBMUJFWSA-N 1 2 364.375 3.021 40 0 FGABLO Cn1ccnc1C[N@H+]1CCC[C@@H](n2nnc3cc(C(F)(F)F)ccc32)C1 ZINC000012143344 494208263 /nfs/dbraw/zinc/20/82/63/494208263.db2.gz DZTAXXNMIIEUMW-CYBMUJFWSA-N 1 2 364.375 3.021 40 0 FGABLO CC[C@@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1)n1nc(C)cc1C ZINC000019499468 494446548 /nfs/dbraw/zinc/44/65/48/494446548.db2.gz NCUDUPHAEAIDTR-ROUUACIJSA-N 1 2 369.444 3.229 40 0 FGABLO Cc1ccn(CCNc2cc([C@H](C)Cn3nc(C)c(C)c3C)[nH+]c(C)n2)n1 ZINC000019718038 494457503 /nfs/dbraw/zinc/45/75/03/494457503.db2.gz BTQPESRMCKCDLO-CYBMUJFWSA-N 1 2 367.501 3.328 40 0 FGABLO Cc1ccc(C(=O)N2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)s1 ZINC000096209234 495006629 /nfs/dbraw/zinc/00/66/29/495006629.db2.gz NHJFCBIWTCNXRA-DNVCBOLYSA-N 1 2 357.479 3.327 40 0 FGABLO c1nn(CC2CC2)c2c1CC[N@@H+](Cc1cccnc1)[C@H]2COCC1CC1 ZINC000096197891 495006941 /nfs/dbraw/zinc/00/69/41/495006941.db2.gz IGMVCFSUTQSVHU-FQEVSTJZSA-N 1 2 352.482 3.214 40 0 FGABLO c1nn(CC2CC2)c2c1CC[N@H+](Cc1cccnc1)[C@H]2COCC1CC1 ZINC000096197891 495006945 /nfs/dbraw/zinc/00/69/45/495006945.db2.gz IGMVCFSUTQSVHU-FQEVSTJZSA-N 1 2 352.482 3.214 40 0 FGABLO Fc1cccnc1OCC[C@@H]1CCOC2(C[NH+](Cc3ccncc3)C2)C1 ZINC000247514860 496877486 /nfs/dbraw/zinc/87/74/86/496877486.db2.gz JOPLJFUEDQGQPE-MRXNPFEDSA-N 1 2 357.429 3.066 40 0 FGABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](OCc2csc(C)n2)CS3)no1 ZINC000247948520 496931641 /nfs/dbraw/zinc/93/16/41/496931641.db2.gz XOJYYTGARLJBGP-HNNXBMFYSA-N 1 2 351.497 3.025 40 0 FGABLO COc1ccccc1C[N@H+]1Cc2ccnn2[C@@H](COCc2cccnc2)C1 ZINC000248120315 496956637 /nfs/dbraw/zinc/95/66/37/496956637.db2.gz DOHAYDGZAPXRNZ-HXUWFJFHSA-N 1 2 364.449 3.060 40 0 FGABLO COc1ccccc1C[N@@H+]1Cc2ccnn2[C@@H](COCc2cccnc2)C1 ZINC000248120315 496956639 /nfs/dbraw/zinc/95/66/39/496956639.db2.gz DOHAYDGZAPXRNZ-HXUWFJFHSA-N 1 2 364.449 3.060 40 0 FGABLO Cc1ccsc1C[N@H+]1Cc2ccnn2[C@H](CC(=O)NCc2ccco2)C1 ZINC000253599281 497344712 /nfs/dbraw/zinc/34/47/12/497344712.db2.gz NESRJBXVPQVEDV-MRXNPFEDSA-N 1 2 370.478 3.109 40 0 FGABLO Cc1ccsc1C[N@@H+]1Cc2ccnn2[C@H](CC(=O)NCc2ccco2)C1 ZINC000253599281 497344719 /nfs/dbraw/zinc/34/47/19/497344719.db2.gz NESRJBXVPQVEDV-MRXNPFEDSA-N 1 2 370.478 3.109 40 0 FGABLO Cc1[nH+]cc(-c2cncc([C@H]3CCCN(C(=O)c4cccs4)C3)n2)n1C ZINC000257203724 497390812 /nfs/dbraw/zinc/39/08/12/497390812.db2.gz ARJBEEFPCVBMIF-AWEZNQCLSA-N 1 2 367.478 3.267 40 0 FGABLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257253265 497395616 /nfs/dbraw/zinc/39/56/16/497395616.db2.gz JYESLTRDPICDRY-MRXNPFEDSA-N 1 2 368.412 3.007 40 0 FGABLO COc1cccc(CC(=O)N2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)c1 ZINC000257288739 497399352 /nfs/dbraw/zinc/39/93/52/497399352.db2.gz PVKXDZWZXRSWLW-GOSISDBHSA-N 1 2 353.466 3.105 40 0 FGABLO Cn1c[nH+]cc1CN1CCCC[C@@H]1c1csc(Nc2cnccn2)n1 ZINC000257298236 497400588 /nfs/dbraw/zinc/40/05/88/497400588.db2.gz RKTZEMNGXQZEIQ-OAHLLOKOSA-N 1 2 355.471 3.137 40 0 FGABLO Cc1csc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000257301808 497401403 /nfs/dbraw/zinc/40/14/03/497401403.db2.gz RZZDUPZLVLOIKY-ZDUSSCGKSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1csc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000257301808 497401407 /nfs/dbraw/zinc/40/14/07/497401407.db2.gz RZZDUPZLVLOIKY-ZDUSSCGKSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1csc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000257301808 497401411 /nfs/dbraw/zinc/40/14/11/497401411.db2.gz RZZDUPZLVLOIKY-ZDUSSCGKSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)s1 ZINC000257336142 497404839 /nfs/dbraw/zinc/40/48/39/497404839.db2.gz YNJNDIYQCSUDDE-CYBMUJFWSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)s1 ZINC000257336142 497404842 /nfs/dbraw/zinc/40/48/42/497404842.db2.gz YNJNDIYQCSUDDE-CYBMUJFWSA-N 1 2 355.471 3.088 40 0 FGABLO O=C(C1CC1)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306124494 498736064 /nfs/dbraw/zinc/73/60/64/498736064.db2.gz BRNDCQJKYBZXTA-HXUWFJFHSA-N 1 2 358.445 3.211 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000306135906 498741433 /nfs/dbraw/zinc/74/14/33/498741433.db2.gz PEFXIXSAPZSULI-QFBILLFUSA-N 1 2 355.415 3.295 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000306135906 498741438 /nfs/dbraw/zinc/74/14/38/498741438.db2.gz PEFXIXSAPZSULI-QFBILLFUSA-N 1 2 355.415 3.295 40 0 FGABLO C[C@H](CO)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328982920 499006725 /nfs/dbraw/zinc/00/67/25/499006725.db2.gz HDVGPMMQOFKNOF-SECBINFHSA-N 1 2 353.253 3.041 40 0 FGABLO CC(C)[C@H](CO)Nc1nc(NCc2cccs2)cc(-c2ccncc2)[nH+]1 ZINC000329023891 499018894 /nfs/dbraw/zinc/01/88/94/499018894.db2.gz OVZBGXHUPRHVPL-KRWDZBQOSA-N 1 2 369.494 3.063 40 0 FGABLO CC[C@@H](C)Nc1nc(NCc2ccccc2F)cc(-c2cccnc2)[nH+]1 ZINC000329061797 499030631 /nfs/dbraw/zinc/03/06/31/499030631.db2.gz WUDKNMCLEQGDDY-CQSZACIVSA-N 1 2 351.429 3.344 40 0 FGABLO Cc1cccc(Cl)c1Nc1cc(-c2ccccc2)[nH+]c(NCCO)n1 ZINC000329062966 499030858 /nfs/dbraw/zinc/03/08/58/499030858.db2.gz XBSSALHNKHIUBW-UHFFFAOYSA-N 1 2 354.841 3.097 40 0 FGABLO C[C@H](CO)Nc1nc(Nc2cccc(Cl)c2Cl)cc(C2CC2)[nH+]1 ZINC000329070035 499033789 /nfs/dbraw/zinc/03/37/89/499033789.db2.gz ZDFVPPNONPCRRH-SECBINFHSA-N 1 2 353.253 3.041 40 0 FGABLO CCOc1ccc(-c2ccc(S(=O)(=O)N3CC[NH+](CC)CC3)cc2)cc1 ZINC000036636292 205019668 /nfs/dbraw/zinc/01/96/68/205019668.db2.gz CTPVXKCQPNBSKS-UHFFFAOYSA-N 1 2 374.506 3.079 40 0 FGABLO CC[C@H](C)Nc1nc(NCCN2CCOCC2)cc(-c2ccccc2)[nH+]1 ZINC000240762368 206116834 /nfs/dbraw/zinc/11/68/34/206116834.db2.gz ATFDEVAFTRKCDB-INIZCTEOSA-N 1 2 355.486 3.098 40 0 FGABLO CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC000006857062 493983678 /nfs/dbraw/zinc/98/36/78/493983678.db2.gz YOPOEIMFUMMMFW-UHFFFAOYSA-N 1 2 373.478 3.436 40 0 FGABLO O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216158 494144652 /nfs/dbraw/zinc/14/46/52/494144652.db2.gz AKOVUJJFKDFJIJ-IBGZPJMESA-N 1 2 367.449 3.392 40 0 FGABLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)ncc1C(=O)N(C)C ZINC000072345466 494154706 /nfs/dbraw/zinc/15/47/06/494154706.db2.gz CHXGTRALXNEABP-GOSISDBHSA-N 1 2 356.445 3.353 40 0 FGABLO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)ncc1C(=O)N(C)C ZINC000072345466 494154707 /nfs/dbraw/zinc/15/47/07/494154707.db2.gz CHXGTRALXNEABP-GOSISDBHSA-N 1 2 356.445 3.353 40 0 FGABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCN2C(=O)CCc2ccccc2)cc[nH+]1 ZINC000072357487 494157707 /nfs/dbraw/zinc/15/77/07/494157707.db2.gz GNBPMVHFMGXBQM-GOSISDBHSA-N 1 2 361.449 3.350 40 0 FGABLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cncc(Oc3ccc(F)cc3)n2)cn1 ZINC000072384177 494162263 /nfs/dbraw/zinc/16/22/63/494162263.db2.gz RFXMWSXNRXLARY-GOSISDBHSA-N 1 2 353.401 3.479 40 0 FGABLO Cn1cc(C[N@H+]2CCC[C@@H]2c2cncc(Oc3ccc(F)cc3)n2)cn1 ZINC000072384177 494162266 /nfs/dbraw/zinc/16/22/66/494162266.db2.gz RFXMWSXNRXLARY-GOSISDBHSA-N 1 2 353.401 3.479 40 0 FGABLO C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000012116308 494205726 /nfs/dbraw/zinc/20/57/26/494205726.db2.gz UFKVGUYLOYUAQX-WBVHZDCISA-N 1 2 354.498 3.485 40 0 FGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000012116430 494206095 /nfs/dbraw/zinc/20/60/95/494206095.db2.gz PXAYYAOZNHPUGC-MRXNPFEDSA-N 1 2 366.440 3.245 40 0 FGABLO CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000019017404 494434668 /nfs/dbraw/zinc/43/46/68/494434668.db2.gz CPCYUGVVKCTRHO-FQEVSTJZSA-N 1 2 368.456 3.248 40 0 FGABLO CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000019017404 494434670 /nfs/dbraw/zinc/43/46/70/494434670.db2.gz CPCYUGVVKCTRHO-FQEVSTJZSA-N 1 2 368.456 3.248 40 0 FGABLO Fc1ccc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)c(F)c1 ZINC000019293058 494440567 /nfs/dbraw/zinc/44/05/67/494440567.db2.gz BUJPYUZBKDHNCG-UHFFFAOYSA-N 1 2 361.436 3.084 40 0 FGABLO Fc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2ccncc2)c(F)c1 ZINC000019293058 494440572 /nfs/dbraw/zinc/44/05/72/494440572.db2.gz BUJPYUZBKDHNCG-UHFFFAOYSA-N 1 2 361.436 3.084 40 0 FGABLO CC1CCN(c2ncc(-c3c[nH+]cn3CCCC(C)(C)CO)cn2)CC1 ZINC000019719979 494458844 /nfs/dbraw/zinc/45/88/44/494458844.db2.gz MILOTDKRWPOMFR-UHFFFAOYSA-N 1 2 357.502 3.375 40 0 FGABLO CCOc1ccc([C@H]([NH3+])c2nc(CNc3ccccc3)n[nH]2)cc1OCC ZINC000095534540 494989237 /nfs/dbraw/zinc/98/92/37/494989237.db2.gz NDTRTZYOFYJOOQ-IBGZPJMESA-N 1 2 367.453 3.262 40 0 FGABLO CCOc1ccc([C@H]([NH3+])c2nnc(CNc3ccccc3)[nH]2)cc1OCC ZINC000095534540 494989242 /nfs/dbraw/zinc/98/92/42/494989242.db2.gz NDTRTZYOFYJOOQ-IBGZPJMESA-N 1 2 367.453 3.262 40 0 FGABLO CCOc1ccc([C@H]([NH3+])c2n[nH]c(CNc3ccccc3)n2)cc1OCC ZINC000095534540 494989245 /nfs/dbraw/zinc/98/92/45/494989245.db2.gz NDTRTZYOFYJOOQ-IBGZPJMESA-N 1 2 367.453 3.262 40 0 FGABLO Cc1ccsc1C(=O)N1CCC2(C[C@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221351 495007522 /nfs/dbraw/zinc/00/75/22/495007522.db2.gz XTFRAGQYPBQRIB-HNNXBMFYSA-N 1 2 357.479 3.327 40 0 FGABLO S=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000225453772 497063543 /nfs/dbraw/zinc/06/35/43/497063543.db2.gz BNYZHUIADNLGRP-UHFFFAOYSA-N 1 2 366.446 3.130 40 0 FGABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)Cc2cccs2)c1 ZINC000257226121 497393619 /nfs/dbraw/zinc/39/36/19/497393619.db2.gz FJEXJQBJMZZOEU-KRWDZBQOSA-N 1 2 353.447 3.279 40 0 FGABLO CNc1cc([C@@H]2CCCN2C(=O)c2cc(C)nc3onc(C)c32)cc[nH+]1 ZINC000257283905 497399934 /nfs/dbraw/zinc/39/99/34/497399934.db2.gz PALDJXULFNEKAY-HNNXBMFYSA-N 1 2 351.410 3.254 40 0 FGABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2CC ZINC000261365995 497407650 /nfs/dbraw/zinc/40/76/50/497407650.db2.gz WVBQEOUDTIPSSG-HNNXBMFYSA-O 1 2 359.475 3.304 40 0 FGABLO COCCn1cc[nH+]c1[C@@H]1CN(Cc2nccs2)Cc2ccccc21 ZINC000306124100 498736979 /nfs/dbraw/zinc/73/69/79/498736979.db2.gz BGDHMPQXDPCTQJ-QGZVFWFLSA-N 1 2 354.479 3.134 40 0 FGABLO CC(C)n1cc(C[N@H+]2Cc3cccn3C[C@@H](Oc3cccnc3)C2)cn1 ZINC000306140197 498740032 /nfs/dbraw/zinc/74/00/32/498740032.db2.gz UMPHULCCTFTXLJ-FQEVSTJZSA-N 1 2 351.454 3.124 40 0 FGABLO CC(C)n1cc(C[N@@H+]2Cc3cccn3C[C@@H](Oc3cccnc3)C2)cn1 ZINC000306140197 498740040 /nfs/dbraw/zinc/74/00/40/498740040.db2.gz UMPHULCCTFTXLJ-FQEVSTJZSA-N 1 2 351.454 3.124 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000306137049 498740364 /nfs/dbraw/zinc/74/03/64/498740364.db2.gz QKEFWOYWYRAKRH-QFBILLFUSA-N 1 2 355.415 3.295 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000306137049 498740369 /nfs/dbraw/zinc/74/03/69/498740369.db2.gz QKEFWOYWYRAKRH-QFBILLFUSA-N 1 2 355.415 3.295 40 0 FGABLO CC[C@@H](C)Nc1nc(NCc2ccc(F)cc2)cc(-c2ccncc2)[nH+]1 ZINC000328967585 499001887 /nfs/dbraw/zinc/00/18/87/499001887.db2.gz CVWYZYUQAPRLDK-CQSZACIVSA-N 1 2 351.429 3.344 40 0 FGABLO CC(C)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000328971186 499002526 /nfs/dbraw/zinc/00/25/26/499002526.db2.gz DNUAMDSSXNJDBY-UHFFFAOYSA-N 1 2 355.392 3.093 40 0 FGABLO OCCCNc1nc(Nc2cccc(Cl)c2Cl)cc(C2CC2)[nH+]1 ZINC000328973759 499002830 /nfs/dbraw/zinc/00/28/30/499002830.db2.gz FDMKFIYLJKNGOK-UHFFFAOYSA-N 1 2 353.253 3.043 40 0 FGABLO Cc1cc(OC(F)(F)F)ccc1Nc1cc(C2CC2)[nH+]c(NCCO)n1 ZINC000328973692 499003074 /nfs/dbraw/zinc/00/30/74/499003074.db2.gz FCRYBRJQHALWNN-UHFFFAOYSA-N 1 2 368.359 3.131 40 0 FGABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](C)CO)n2)cc1C(F)(F)F ZINC000329047669 499025049 /nfs/dbraw/zinc/02/50/49/499025049.db2.gz UGHHCEXYEVNSCE-NSHDSACASA-N 1 2 366.387 3.061 40 0 FGABLO Cc1ccsc1C[N@H+]1Cc2ccnn2[C@H](CCNC(=O)CC2CC2)C1 ZINC000585112803 507576281 /nfs/dbraw/zinc/57/62/81/507576281.db2.gz WREQGNISIBFOOP-MRXNPFEDSA-N 1 2 358.511 3.116 40 0 FGABLO Cc1ccsc1C[N@@H+]1Cc2ccnn2[C@H](CCNC(=O)CC2CC2)C1 ZINC000585112803 507576284 /nfs/dbraw/zinc/57/62/84/507576284.db2.gz WREQGNISIBFOOP-MRXNPFEDSA-N 1 2 358.511 3.116 40 0 FGABLO O=S(=O)(Cc1cccc(Cl)c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020493512 527193518 /nfs/dbraw/zinc/19/35/18/527193518.db2.gz FESMHJWYEVSFJA-UHFFFAOYSA-N 1 2 361.854 3.145 40 0 FGABLO CCc1cc(-c2cc(N[C@@H](C)Cc3ccccc3OC)nc(N)[nH+]2)n(C)n1 ZINC000019655487 204698356 /nfs/dbraw/zinc/69/83/56/204698356.db2.gz ZODKDQVLIJVWHC-ZDUSSCGKSA-N 1 2 366.469 3.073 40 0 FGABLO COc1cccc(Nc2cc(N)[nH+]c(-c3ccc(OC)c(OC)c3)n2)c1 ZINC000049468186 205173268 /nfs/dbraw/zinc/17/32/68/205173268.db2.gz XEJQFRCONAXZHW-UHFFFAOYSA-N 1 2 352.394 3.495 40 0 FGABLO COc1cccc(Nc2cc(N)nc(-c3ccc(OC)c(OC)c3)[nH+]2)c1 ZINC000049468186 205173273 /nfs/dbraw/zinc/17/32/73/205173273.db2.gz XEJQFRCONAXZHW-UHFFFAOYSA-N 1 2 352.394 3.495 40 0 FGABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057669908 136129852 /nfs/dbraw/zinc/12/98/52/136129852.db2.gz OWSOUICQFOQTLZ-GOSISDBHSA-N 1 2 374.508 3.477 40 0 FGABLO CCN(CC)c1cc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nc[nH+]1 ZINC000079440079 136151033 /nfs/dbraw/zinc/15/10/33/136151033.db2.gz RZFAKOYALAFQNC-OAHLLOKOSA-N 1 2 363.506 3.159 40 0 FGABLO CCN(CC)c1cc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)[nH+]cn1 ZINC000079440079 136151034 /nfs/dbraw/zinc/15/10/34/136151034.db2.gz RZFAKOYALAFQNC-OAHLLOKOSA-N 1 2 363.506 3.159 40 0 FGABLO O=C(NCCCc1ccc(F)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030752649 493905837 /nfs/dbraw/zinc/90/58/37/493905837.db2.gz LNPOMXSTSRBUAW-UHFFFAOYSA-N 1 2 356.441 3.021 40 0 FGABLO CCN(C)c1[nH+]cccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072212786 494144215 /nfs/dbraw/zinc/14/42/15/494144215.db2.gz BNSFZRZJXFFVHG-GOSISDBHSA-N 1 2 359.495 3.372 40 0 FGABLO O=C(CCc1ccccc1)N1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355388 494157468 /nfs/dbraw/zinc/15/74/68/494157468.db2.gz PSOCCDNEXBKVCI-SFHVURJKSA-N 1 2 361.449 3.001 40 0 FGABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](Cc4cccc(OC)c4)C3)[nH]n2c1=O ZINC000012276399 494219379 /nfs/dbraw/zinc/21/93/79/494219379.db2.gz XTIRZEBPBVOVDD-MRXNPFEDSA-N 1 2 366.465 3.304 40 0 FGABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4cccc(OC)c4)C3)[nH]n2c1=O ZINC000012276399 494219384 /nfs/dbraw/zinc/21/93/84/494219384.db2.gz XTIRZEBPBVOVDD-MRXNPFEDSA-N 1 2 366.465 3.304 40 0 FGABLO Cc1csc2c1nc1n(c2=O)CC[N@@H+](Cc2cc(F)cc(F)c2)CC1 ZINC000019240298 494440070 /nfs/dbraw/zinc/44/00/70/494440070.db2.gz IYUOBOJPZCRQAB-UHFFFAOYSA-N 1 2 361.417 3.103 40 0 FGABLO Cc1csc2c1nc1n(c2=O)CC[N@H+](Cc2cc(F)cc(F)c2)CC1 ZINC000019240298 494440071 /nfs/dbraw/zinc/44/00/71/494440071.db2.gz IYUOBOJPZCRQAB-UHFFFAOYSA-N 1 2 361.417 3.103 40 0 FGABLO COc1ccc(CN2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019589016 494451855 /nfs/dbraw/zinc/45/18/55/494451855.db2.gz ANCXNGVSIKROGV-FQEVSTJZSA-N 1 2 352.482 3.200 40 0 FGABLO COc1ccc(CN2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019589016 494451860 /nfs/dbraw/zinc/45/18/60/494451860.db2.gz ANCXNGVSIKROGV-FQEVSTJZSA-N 1 2 352.482 3.200 40 0 FGABLO Cc1noc2nc(C)cc(C(=O)NCCc3[nH]c4cc(C)c(C)cc4[nH+]3)c12 ZINC000019715843 494457145 /nfs/dbraw/zinc/45/71/45/494457145.db2.gz MHMJVFNNFJMZJI-UHFFFAOYSA-N 1 2 363.421 3.305 40 0 FGABLO COc1ccc(Cl)cc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020455508 494473872 /nfs/dbraw/zinc/47/38/72/494473872.db2.gz KWSGBMRFNDAORA-UHFFFAOYSA-N 1 2 360.841 3.433 40 0 FGABLO COc1c(Br)cc(C(C)(C)C)cc1C(=O)N1CC[NH+](C)CC1 ZINC000057339304 494717224 /nfs/dbraw/zinc/71/72/24/494717224.db2.gz IYBHQXYTSTVFGR-UHFFFAOYSA-N 1 2 369.303 3.143 40 0 FGABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3cccc(OC)c3)[nH]2)cc1OCC ZINC000095534522 494989339 /nfs/dbraw/zinc/98/93/39/494989339.db2.gz FITNXDZJWDJNKZ-SFHVURJKSA-N 1 2 368.437 3.326 40 0 FGABLO [NH3+][C@@H](c1nc(-c2cc(Br)ccc2O)n[nH]1)c1ccc(F)cc1 ZINC000095533301 494989912 /nfs/dbraw/zinc/98/99/12/494989912.db2.gz OGGOFASVIUKPIP-CYBMUJFWSA-N 1 2 363.190 3.127 40 0 FGABLO O=C(c1ccoc1)N1Cc2[nH+]cn(CC3CC3)c2[C@@H](COCC2CC2)C1 ZINC000096045155 494998064 /nfs/dbraw/zinc/99/80/64/494998064.db2.gz PYSRCWDKRQBQHB-QGZVFWFLSA-N 1 2 355.438 3.052 40 0 FGABLO c1[nH+]c2c(n1CC1CC1)[C@@H](COCC1CC1)CN(Cc1ccccn1)C2 ZINC000096045151 494998711 /nfs/dbraw/zinc/99/87/11/494998711.db2.gz SLWVHXFBRWSNPI-GOSISDBHSA-N 1 2 352.482 3.214 40 0 FGABLO CC(C)n1c2c(nc1C(=O)NCc1cccc(F)c1)C[N@@H+](C(C)C)CC2 ZINC000096147115 495004461 /nfs/dbraw/zinc/00/44/61/495004461.db2.gz GEUOZKPWSJLUOE-UHFFFAOYSA-N 1 2 358.461 3.300 40 0 FGABLO CC(C)n1c2c(nc1C(=O)NCc1cccc(F)c1)C[N@H+](C(C)C)CC2 ZINC000096147115 495004464 /nfs/dbraw/zinc/00/44/64/495004464.db2.gz GEUOZKPWSJLUOE-UHFFFAOYSA-N 1 2 358.461 3.300 40 0 FGABLO Fc1ccccc1C[N@H+]1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC000096220778 495007779 /nfs/dbraw/zinc/00/77/79/495007779.db2.gz WTAHBMKDNCPQRI-INIZCTEOSA-N 1 2 352.413 3.128 40 0 FGABLO Fc1ccccc1C[N@@H+]1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC000096220778 495007783 /nfs/dbraw/zinc/00/77/83/495007783.db2.gz WTAHBMKDNCPQRI-INIZCTEOSA-N 1 2 352.413 3.128 40 0 FGABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@H]1CC[C@@H](C3)[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000100219503 495064298 /nfs/dbraw/zinc/06/42/98/495064298.db2.gz FHEQWSUMBDKRRI-KGLIPLIRSA-N 1 2 370.403 3.153 40 0 FGABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@H]1CC[C@@H](C3)[N@H+]1Cc1ccc(F)c(F)c1 ZINC000100219503 495064302 /nfs/dbraw/zinc/06/43/02/495064302.db2.gz FHEQWSUMBDKRRI-KGLIPLIRSA-N 1 2 370.403 3.153 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3cncn3[C@@H](COCC3CCOCC3)C2)s1 ZINC000248061521 496949970 /nfs/dbraw/zinc/94/99/70/496949970.db2.gz DAWKMIGALSVCES-GOSISDBHSA-N 1 2 361.511 3.253 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3cncn3[C@@H](COCC3CCOCC3)C2)s1 ZINC000248061521 496949978 /nfs/dbraw/zinc/94/99/78/496949978.db2.gz DAWKMIGALSVCES-GOSISDBHSA-N 1 2 361.511 3.253 40 0 FGABLO Cc1ccc(CN2Cc3c[nH+]cn3[C@@H](COCC3CCOCC3)C2)s1 ZINC000248061521 496949984 /nfs/dbraw/zinc/94/99/84/496949984.db2.gz DAWKMIGALSVCES-GOSISDBHSA-N 1 2 361.511 3.253 40 0 FGABLO Cc1ncsc1C[N@H+]1Cc2cccn2[C@@H](COCc2ccncc2)C1 ZINC000248073456 496951632 /nfs/dbraw/zinc/95/16/32/496951632.db2.gz YZKTWQZPDIONJV-GOSISDBHSA-N 1 2 354.479 3.422 40 0 FGABLO Cc1ncsc1C[N@@H+]1Cc2cccn2[C@@H](COCc2ccncc2)C1 ZINC000248073456 496951634 /nfs/dbraw/zinc/95/16/34/496951634.db2.gz YZKTWQZPDIONJV-GOSISDBHSA-N 1 2 354.479 3.422 40 0 FGABLO c1ccc2nc(C[NH+]3CC4(C3)C[C@H](Oc3cccnc3)CCO4)ccc2c1 ZINC000248331061 496980123 /nfs/dbraw/zinc/98/01/23/496980123.db2.gz GLIITOCOGJNXIF-LJQANCHMSA-N 1 2 361.445 3.442 40 0 FGABLO O=C(NCCOc1ccc(Cl)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225112644 497056496 /nfs/dbraw/zinc/05/64/96/497056496.db2.gz TWUDISFFTSIHSA-UHFFFAOYSA-N 1 2 355.825 3.394 40 0 FGABLO COc1ccc(C2(C(=O)N3CCC[C@@H](c4[nH+]c(C)cn4C)C3)CC2)cc1 ZINC000257213819 497392315 /nfs/dbraw/zinc/39/23/15/497392315.db2.gz CJEMTCGTPKFPMJ-MRXNPFEDSA-N 1 2 353.466 3.175 40 0 FGABLO CN(C)c1nccnc1[C@@H]1C[N@H+](Cc2cc3ccccc3s2)CCO1 ZINC000257228538 497393081 /nfs/dbraw/zinc/39/30/81/497393081.db2.gz FUFKNLNNLYPNRI-INIZCTEOSA-N 1 2 354.479 3.331 40 0 FGABLO CN(C)c1nccnc1[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)CCO1 ZINC000257228538 497393087 /nfs/dbraw/zinc/39/30/87/497393087.db2.gz FUFKNLNNLYPNRI-INIZCTEOSA-N 1 2 354.479 3.331 40 0 FGABLO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)s1 ZINC000257255355 497395494 /nfs/dbraw/zinc/39/54/94/497395494.db2.gz KHCZTUXLJMEEAY-ZDUSSCGKSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)s1 ZINC000257255355 497395500 /nfs/dbraw/zinc/39/55/00/497395500.db2.gz KHCZTUXLJMEEAY-ZDUSSCGKSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1cccnc1Nc1cc([C@H]2CCCN2Cc2[nH+]ccn2C)nc(C)n1 ZINC000257262201 497396516 /nfs/dbraw/zinc/39/65/16/497396516.db2.gz LKOIDMAGOAURPJ-QGZVFWFLSA-N 1 2 363.469 3.303 40 0 FGABLO COc1ccc(F)cc1C(=O)N1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257277035 497397706 /nfs/dbraw/zinc/39/77/06/497397706.db2.gz NWFFAHYMLLMXND-OAHLLOKOSA-N 1 2 357.429 3.315 40 0 FGABLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000257330391 497403959 /nfs/dbraw/zinc/40/39/59/497403959.db2.gz XODZWUOEMACPQA-CYBMUJFWSA-N 1 2 369.494 3.019 40 0 FGABLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000257330391 497403965 /nfs/dbraw/zinc/40/39/65/497403965.db2.gz XODZWUOEMACPQA-CYBMUJFWSA-N 1 2 369.494 3.019 40 0 FGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@H]2C ZINC000261364232 497407675 /nfs/dbraw/zinc/40/76/75/497407675.db2.gz KCNPNYGXRXOWJF-GFCCVEGCSA-O 1 2 365.438 3.038 40 0 FGABLO O=C(c1ccc(F)cc1)N1C[C@@H]2CCn3c(-c4ccncc4)c[nH+]c3[C@@H]2C1 ZINC000306131562 498737792 /nfs/dbraw/zinc/73/77/92/498737792.db2.gz KIQJDGRSALCNIV-FUHWJXTLSA-N 1 2 362.408 3.344 40 0 FGABLO CCn1cc(CN2CCc3c(n4cc(-c5ccc(C)cc5)[nH+]c4n3C)C2)cn1 ZINC000306128075 498738118 /nfs/dbraw/zinc/73/81/18/498738118.db2.gz GPJKDTITERIGDE-UHFFFAOYSA-N 1 2 374.492 3.423 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000306131316 498738969 /nfs/dbraw/zinc/73/89/69/498738969.db2.gz KBPUYJRBZLGWRP-PXNSSMCTSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000306131316 498738977 /nfs/dbraw/zinc/73/89/77/498738977.db2.gz KBPUYJRBZLGWRP-PXNSSMCTSA-N 1 2 366.442 3.097 40 0 FGABLO Cc1c(Nc2cc(C3CC3)[nH+]c(N[C@@H](C)CO)n2)cccc1C(F)(F)F ZINC000329036021 499021339 /nfs/dbraw/zinc/02/13/39/499021339.db2.gz RHJYVEITKISSIN-JTQLQIEISA-N 1 2 366.387 3.061 40 0 FGABLO CCNc1nc(Nc2ccc(OC)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329053970 499027600 /nfs/dbraw/zinc/02/76/00/499027600.db2.gz VIQRVXFCIUUIQQ-UHFFFAOYSA-N 1 2 352.360 3.401 40 0 FGABLO Fc1ccccc1CNc1cc(-c2ccncc2)[nH+]c(NC2CCCC2)n1 ZINC000329056050 499028039 /nfs/dbraw/zinc/02/80/39/499028039.db2.gz VQPDSWLCSGNKIY-UHFFFAOYSA-N 1 2 363.440 3.488 40 0 FGABLO Cc1cccc(CO[C@@H]2CCOC3(C[NH+](Cc4ccc(F)cc4)C3)C2)n1 ZINC000585103872 507570798 /nfs/dbraw/zinc/57/07/98/507570798.db2.gz DJTMQSFLTRBRSS-HXUWFJFHSA-N 1 2 356.441 3.479 40 0 FGABLO CCOc1ccc(C(=O)N2CCc3[nH+]cc(-c4cccnc4)n3CC2)cc1 ZINC000585111638 507574136 /nfs/dbraw/zinc/57/41/36/507574136.db2.gz YTHSIUXAHXAZPW-UHFFFAOYSA-N 1 2 362.433 3.042 40 0 FGABLO CO[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)[C@H]1Cc1ccc(F)cc1 ZINC000585274076 507582584 /nfs/dbraw/zinc/58/25/84/507582584.db2.gz ZVADLRUEILOXGS-OALUTQOASA-N 1 2 359.445 3.051 40 0 FGABLO CC(C)CCn1nnnc1[C@@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000057671648 534993894 /nfs/dbraw/zinc/99/38/94/534993894.db2.gz SIXIKSJAVVMWAF-LJQANCHMSA-N 1 2 356.518 3.239 40 0 FGABLO O=C(C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1)Nc1ccccc1F ZINC000004909616 206184692 /nfs/dbraw/zinc/18/46/92/206184692.db2.gz DBEDLPLLSNBEAP-UHFFFAOYSA-N 1 2 370.428 3.050 40 0 FGABLO Cc1cc(N2CCC[C@@](C)(C(=O)NCc3ccccc3Cl)C2)nc[nH+]1 ZINC000257274613 132296417 /nfs/dbraw/zinc/29/64/17/132296417.db2.gz NLWKTHSXDGAKEK-LJQANCHMSA-N 1 2 358.873 3.361 40 0 FGABLO Cc1cccc(N2CC[NH+]([C@@H](c3nnnn3C(C)C)C(C)C)CC2)c1C ZINC000057670150 136129942 /nfs/dbraw/zinc/12/99/42/136129942.db2.gz AADLOCVPNVPKCJ-LJQANCHMSA-N 1 2 356.518 3.390 40 0 FGABLO Cc1cc(N2CCOCC2)nc(S[C@H]2C(=O)[C@H]3CC[C@]2(C)C3(C)C)[nH+]1 ZINC000005537691 493934561 /nfs/dbraw/zinc/93/45/61/493934561.db2.gz FFPVREYATZYAAW-AZOIQLNYSA-N 1 2 361.511 3.108 40 0 FGABLO O=c1[nH]c(-c2cccnc2)nc2c1C[N@H+](Cc1cc(F)ccc1F)CC2 ZINC000072339854 494153665 /nfs/dbraw/zinc/15/36/65/494153665.db2.gz KOULSVHRAPFAOR-UHFFFAOYSA-N 1 2 354.360 3.081 40 0 FGABLO O=c1[nH]c(-c2cccnc2)nc2c1C[N@@H+](Cc1cc(F)ccc1F)CC2 ZINC000072339854 494153668 /nfs/dbraw/zinc/15/36/68/494153668.db2.gz KOULSVHRAPFAOR-UHFFFAOYSA-N 1 2 354.360 3.081 40 0 FGABLO Cc1ncccc1Oc1nccnc1C1CC[NH+](Cc2nccn2C)CC1 ZINC000072384181 494161730 /nfs/dbraw/zinc/16/17/30/494161730.db2.gz WUYAEZNIZPQJOF-UHFFFAOYSA-N 1 2 364.453 3.085 40 0 FGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCc2cccs2)C1 ZINC000012116423 494205607 /nfs/dbraw/zinc/20/56/07/494205607.db2.gz UWYAKEIYZNOEBJ-AWEZNQCLSA-N 1 2 354.479 3.168 40 0 FGABLO C=Cn1ncc(C[N@H+](Cc2ccc(OC)cc2OC)C[C@H]2CCCO2)c1C ZINC000012187240 494211200 /nfs/dbraw/zinc/21/12/00/494211200.db2.gz VYHIBRIPWWSXMU-HXUWFJFHSA-N 1 2 371.481 3.490 40 0 FGABLO C=Cn1ncc(C[N@@H+](Cc2ccc(OC)cc2OC)C[C@H]2CCCO2)c1C ZINC000012187240 494211205 /nfs/dbraw/zinc/21/12/05/494211205.db2.gz VYHIBRIPWWSXMU-HXUWFJFHSA-N 1 2 371.481 3.490 40 0 FGABLO CCn1ncc(C[N@@H+](Cc2ccc(OC)cc2OC)C[C@H]2CCCO2)c1C ZINC000012187209 494211829 /nfs/dbraw/zinc/21/18/29/494211829.db2.gz KHOQQTBXFBSVFG-HXUWFJFHSA-N 1 2 373.497 3.410 40 0 FGABLO CCn1ncc(C[N@H+](Cc2ccc(OC)cc2OC)C[C@H]2CCCO2)c1C ZINC000012187209 494211833 /nfs/dbraw/zinc/21/18/33/494211833.db2.gz KHOQQTBXFBSVFG-HXUWFJFHSA-N 1 2 373.497 3.410 40 0 FGABLO COc1ccccc1C[N@@H+]1CC[C@@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000012255200 494218105 /nfs/dbraw/zinc/21/81/05/494218105.db2.gz QIXNJHOMFCUUHM-OAHLLOKOSA-N 1 2 352.438 3.050 40 0 FGABLO COc1ccccc1C[N@H+]1CC[C@@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000012255200 494218108 /nfs/dbraw/zinc/21/81/08/494218108.db2.gz QIXNJHOMFCUUHM-OAHLLOKOSA-N 1 2 352.438 3.050 40 0 FGABLO Cc1cc(=O)n(-c2cccc(NC(=O)c3ccccc3Cn3cc[nH+]c3)c2)[nH]1 ZINC000019461975 494445491 /nfs/dbraw/zinc/44/54/91/494445491.db2.gz UXKCZAQKQHFPQR-UHFFFAOYSA-N 1 2 373.416 3.296 40 0 FGABLO CCn1ncc(C(=O)N2CC[N@H+](Cc3ccccc3F)C[C@@H]2C(C)C)c1C ZINC000019523888 494447756 /nfs/dbraw/zinc/44/77/56/494447756.db2.gz GGBURILXAGGQJM-HXUWFJFHSA-N 1 2 372.488 3.333 40 0 FGABLO CCn1ncc(C(=O)N2CC[N@@H+](Cc3ccccc3F)C[C@@H]2C(C)C)c1C ZINC000019523888 494447761 /nfs/dbraw/zinc/44/77/61/494447761.db2.gz GGBURILXAGGQJM-HXUWFJFHSA-N 1 2 372.488 3.333 40 0 FGABLO COc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c1 ZINC000019551407 494449291 /nfs/dbraw/zinc/44/92/91/494449291.db2.gz VGECHKIJZYDGPL-MGPUTAFESA-N 1 2 368.456 3.486 40 0 FGABLO COc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c1 ZINC000019551407 494449295 /nfs/dbraw/zinc/44/92/95/494449295.db2.gz VGECHKIJZYDGPL-MGPUTAFESA-N 1 2 368.456 3.486 40 0 FGABLO CN(C)c1ccc2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)[nH]c2c1 ZINC000019585017 494451599 /nfs/dbraw/zinc/45/15/99/494451599.db2.gz NKIGDELQXNZXEM-UHFFFAOYSA-N 1 2 359.433 3.350 40 0 FGABLO Cc1cc2[nH]c(CCNC(=O)CCc3nc4ccccc4[nH]3)[nH+]c2cc1C ZINC000019717790 494457525 /nfs/dbraw/zinc/45/75/25/494457525.db2.gz WNYCBQPIFAMTIO-UHFFFAOYSA-N 1 2 361.449 3.348 40 0 FGABLO CC(C)Oc1ccc(NC(=O)[C@@H]2c3c(ncn3C)CC[N@H+]2CC2CC2)cc1 ZINC000096264939 495008682 /nfs/dbraw/zinc/00/86/82/495008682.db2.gz OZQNRYLFFQULMT-FQEVSTJZSA-N 1 2 368.481 3.155 40 0 FGABLO CC(C)Oc1ccc(NC(=O)[C@@H]2c3c(ncn3C)CC[N@@H+]2CC2CC2)cc1 ZINC000096264939 495008684 /nfs/dbraw/zinc/00/86/84/495008684.db2.gz OZQNRYLFFQULMT-FQEVSTJZSA-N 1 2 368.481 3.155 40 0 FGABLO c1ccc(COCC[C@H]2CCOC3(C[NH+](Cc4cccnc4)C3)C2)nc1 ZINC000247848878 496921085 /nfs/dbraw/zinc/92/10/85/496921085.db2.gz NVWFACKZNBHKQK-SFHVURJKSA-N 1 2 353.466 3.065 40 0 FGABLO O=C(CC1CC1)NCC[C@H]1CCOC12C[NH+](Cc1ccccc1Cl)C2 ZINC000247856485 496921198 /nfs/dbraw/zinc/92/11/98/496921198.db2.gz KVHZVYMHDLWEAW-KRWDZBQOSA-N 1 2 362.901 3.237 40 0 FGABLO Cc1nc(CO[C@@H]2CCOC3(C[NH+](Cc4ccsc4)C3)C2)cs1 ZINC000248006116 496942241 /nfs/dbraw/zinc/94/22/41/496942241.db2.gz DLJZUNOJHSMZAP-MRXNPFEDSA-N 1 2 350.509 3.463 40 0 FGABLO C[NH+]1CCC(Oc2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 ZINC000223657149 497040713 /nfs/dbraw/zinc/04/07/13/497040713.db2.gz SRIQIUOHSOEUJZ-UHFFFAOYSA-N 1 2 352.481 3.022 40 0 FGABLO C[C@]1(O)C[N@H+](CC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1Oc1ccccc1 ZINC000257210115 497390497 /nfs/dbraw/zinc/39/04/97/497390497.db2.gz BTFGYBLNQHEAMS-ICSRJNTNSA-N 1 2 374.868 3.183 40 0 FGABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1Oc1ccccc1 ZINC000257210115 497390499 /nfs/dbraw/zinc/39/04/99/497390499.db2.gz BTFGYBLNQHEAMS-ICSRJNTNSA-N 1 2 374.868 3.183 40 0 FGABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1C(=O)Cc1cccs1 ZINC000257259514 497396358 /nfs/dbraw/zinc/39/63/58/497396358.db2.gz KYRXUXASNTVKKU-INIZCTEOSA-N 1 2 353.447 3.279 40 0 FGABLO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c1 ZINC000257283128 497398966 /nfs/dbraw/zinc/39/89/66/497398966.db2.gz OWVZGGHAUBPSQO-UNMCSNQZSA-N 1 2 368.477 3.146 40 0 FGABLO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c1 ZINC000257283128 497398973 /nfs/dbraw/zinc/39/89/73/497398973.db2.gz OWVZGGHAUBPSQO-UNMCSNQZSA-N 1 2 368.477 3.146 40 0 FGABLO Cc1cc(C)n(CCCC(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)n1 ZINC000257325641 497403658 /nfs/dbraw/zinc/40/36/58/497403658.db2.gz WTULWYWHWIYWQL-GOSISDBHSA-N 1 2 355.486 3.105 40 0 FGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cccc(O)c1Cl ZINC000261363316 497407458 /nfs/dbraw/zinc/40/74/58/497407458.db2.gz GTMIEWWYKWTVER-OAHLLOKOSA-O 1 2 373.845 3.190 40 0 FGABLO CN1CC[N@H+](Cc2ccco2)C[C@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306136540 498739920 /nfs/dbraw/zinc/73/99/20/498739920.db2.gz PWGWORCCQWKHFH-NRFANRHFSA-N 1 2 373.460 3.478 40 0 FGABLO CN1CC[N@@H+](Cc2ccco2)C[C@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306136540 498739926 /nfs/dbraw/zinc/73/99/26/498739926.db2.gz PWGWORCCQWKHFH-NRFANRHFSA-N 1 2 373.460 3.478 40 0 FGABLO CCNc1nc(Nc2ccc(OC)c(OC)c2)cc(-c2ccccc2)[nH+]1 ZINC000328984540 499006640 /nfs/dbraw/zinc/00/66/40/499006640.db2.gz HOZMZYTZFAVSRG-UHFFFAOYSA-N 1 2 350.422 3.180 40 0 FGABLO CNc1nc(Nc2ccc(C)c(C(F)(F)F)c2)cc(-c2ccncc2)[nH+]1 ZINC000329056710 499028594 /nfs/dbraw/zinc/02/85/94/499028594.db2.gz VTQIHWMUWKORIC-UHFFFAOYSA-N 1 2 359.355 3.495 40 0 FGABLO COCc1cccc(-c2c[nH+]c3n2CCN(C(=O)C2CCCC2)CC3)c1 ZINC000585111132 507574320 /nfs/dbraw/zinc/57/43/20/507574320.db2.gz FUUJVPLFUBSBLZ-UHFFFAOYSA-N 1 2 353.466 3.271 40 0 FGABLO CSc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000044900790 205113388 /nfs/dbraw/zinc/11/33/88/205113388.db2.gz OWARAONTCVWRCC-UHFFFAOYSA-N 1 2 359.476 3.073 40 0 FGABLO CCOc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000044933863 205115765 /nfs/dbraw/zinc/11/57/65/205115765.db2.gz LEKVOLZNGZUPSC-KRWDZBQOSA-N 1 2 368.477 3.409 40 0 FGABLO c1csc(C[N@@H+]2CCO[C@@]3(CCC[C@@H]3COCc3cccnc3)C2)n1 ZINC000107194539 206017792 /nfs/dbraw/zinc/01/77/92/206017792.db2.gz JCMRCPPWKMLHIX-MJGOQNOKSA-N 1 2 359.495 3.126 40 0 FGABLO c1csc(C[N@H+]2CCO[C@@]3(CCC[C@@H]3COCc3cccnc3)C2)n1 ZINC000107194539 206017797 /nfs/dbraw/zinc/01/77/97/206017797.db2.gz JCMRCPPWKMLHIX-MJGOQNOKSA-N 1 2 359.495 3.126 40 0 FGABLO CCOc1cc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)ccc1OC ZINC000114422861 206093887 /nfs/dbraw/zinc/09/38/87/206093887.db2.gz BDTSKIXJRGOSCZ-UHFFFAOYSA-N 1 2 365.433 3.269 40 0 FGABLO Cc1cc(C)cc(NC(=O)Cn2c[nH+]c3cc4c(cc32)OCCCO4)c1 ZINC000014000665 206306986 /nfs/dbraw/zinc/30/69/86/206306986.db2.gz VTGLOAAJGACMLA-UHFFFAOYSA-N 1 2 351.406 3.453 40 0 FGABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2c[nH+]c(N(C)C)c(C)c2)cc1 ZINC000072218630 494145978 /nfs/dbraw/zinc/14/59/78/494145978.db2.gz PCKHETGPNXEVRT-SFHVURJKSA-N 1 2 359.495 3.290 40 0 FGABLO Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000072369436 494158189 /nfs/dbraw/zinc/15/81/89/494158189.db2.gz AOULDRPLDXCJTM-KRWDZBQOSA-N 1 2 356.470 3.091 40 0 FGABLO CCc1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3cccnc3)CC2)n1 ZINC000072378419 494160751 /nfs/dbraw/zinc/16/07/51/494160751.db2.gz OEMUJOMOBFIKBC-UHFFFAOYSA-N 1 2 361.449 3.245 40 0 FGABLO CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)c2ccncc2)n1 ZINC000072378416 494161194 /nfs/dbraw/zinc/16/11/94/494161194.db2.gz KXFHXAFSAAEWQN-QGZVFWFLSA-N 1 2 362.437 3.158 40 0 FGABLO C[C@H]1CN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(F)cc3)n2)C[C@H](C)O1 ZINC000012221183 494214654 /nfs/dbraw/zinc/21/46/54/494214654.db2.gz VXTNQXWYISQLJQ-STQMWFEESA-N 1 2 353.401 3.286 40 0 FGABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2nccs2)CC1 ZINC000012221317 494215106 /nfs/dbraw/zinc/21/51/06/494215106.db2.gz XNKWJFVAMBKJCI-UHFFFAOYSA-N 1 2 355.467 3.368 40 0 FGABLO COc1ccc(C[N@@H+]2CC[C@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)c(F)c1 ZINC000012746233 494253923 /nfs/dbraw/zinc/25/39/23/494253923.db2.gz RTXCUBDYOOMDPG-HNNXBMFYSA-N 1 2 370.428 3.189 40 0 FGABLO COc1ccc(C[N@H+]2CC[C@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)c(F)c1 ZINC000012746233 494253926 /nfs/dbraw/zinc/25/39/26/494253926.db2.gz RTXCUBDYOOMDPG-HNNXBMFYSA-N 1 2 370.428 3.189 40 0 FGABLO Cc1csc2c(C3CCN(C(=O)CCc4ccno4)CC3)[nH+]c(C)n12 ZINC000019240547 494439566 /nfs/dbraw/zinc/43/95/66/494439566.db2.gz ZOIPXSOYGYZAMB-UHFFFAOYSA-N 1 2 358.467 3.339 40 0 FGABLO Cc1nc(C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)c2sccn12 ZINC000019240801 494440066 /nfs/dbraw/zinc/44/00/66/494440066.db2.gz ATPAWQZZEVLNJH-CYBMUJFWSA-N 1 2 357.483 3.258 40 0 FGABLO CN(C[C@@H]1OCCc2ccccc21)C(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000019586068 494451161 /nfs/dbraw/zinc/45/11/61/494451161.db2.gz RODBZWFGHONJAQ-NRFANRHFSA-N 1 2 361.445 3.317 40 0 FGABLO Cc1nc2ccccc2n1Cc1cc(NC[C@@]2(C)CCCO2)nc(C)[nH+]1 ZINC000019655905 494453988 /nfs/dbraw/zinc/45/39/88/494453988.db2.gz ZILCOQKOSHFGJN-HXUWFJFHSA-N 1 2 351.454 3.472 40 0 FGABLO c1cc(OC2CCCC2)ccc1CN1CCC[C@H]1c1nnc2n1CC[NH2+]C2 ZINC000019767396 494459692 /nfs/dbraw/zinc/45/96/92/494459692.db2.gz ULVLMZYNURDWCF-IBGZPJMESA-N 1 2 367.497 3.040 40 0 FGABLO CC(C)CCN1C[NH+]=C2NC3(CCCC3)n3c4ccccc4nc3N2C1 ZINC000020676383 494478771 /nfs/dbraw/zinc/47/87/71/494478771.db2.gz SXAOAPZFEUOLEP-UHFFFAOYSA-N 1 2 352.486 3.305 40 0 FGABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(F)c3)[nH]2)cc1OCC ZINC000095534603 494989893 /nfs/dbraw/zinc/98/98/93/494989893.db2.gz YEXBBQANZCWPCP-QGZVFWFLSA-N 1 2 356.401 3.456 40 0 FGABLO CCOc1ccc([C@@H]([NH3+])c2n[nH]c(-c3cccc(F)c3)n2)cc1OCC ZINC000095534603 494989894 /nfs/dbraw/zinc/98/98/94/494989894.db2.gz YEXBBQANZCWPCP-QGZVFWFLSA-N 1 2 356.401 3.456 40 0 FGABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3cccc(F)c3)[nH]2)cc1OCC ZINC000095534602 494989955 /nfs/dbraw/zinc/98/99/55/494989955.db2.gz YEXBBQANZCWPCP-KRWDZBQOSA-N 1 2 356.401 3.456 40 0 FGABLO CCOc1ccc([C@H]([NH3+])c2n[nH]c(-c3cccc(F)c3)n2)cc1OCC ZINC000095534602 494989956 /nfs/dbraw/zinc/98/99/56/494989956.db2.gz YEXBBQANZCWPCP-KRWDZBQOSA-N 1 2 356.401 3.456 40 0 FGABLO FC1(F)CC[N@H+](Cc2nccs2)C[C@]12CCN(c1cccnc1)C2 ZINC000096051127 494999429 /nfs/dbraw/zinc/99/94/29/494999429.db2.gz VESXEXIFJAOWFU-INIZCTEOSA-N 1 2 350.438 3.276 40 0 FGABLO FC1(F)CC[N@@H+](Cc2nccs2)C[C@]12CCN(c1cccnc1)C2 ZINC000096051127 494999430 /nfs/dbraw/zinc/99/94/30/494999430.db2.gz VESXEXIFJAOWFU-INIZCTEOSA-N 1 2 350.438 3.276 40 0 FGABLO CCOC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2ncn(CC3CC3)c21 ZINC000096060320 495000098 /nfs/dbraw/zinc/00/00/98/495000098.db2.gz UXUXXPGRMKPOBF-SFHVURJKSA-N 1 2 355.482 3.438 40 0 FGABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2ncn(CC3CC3)c21 ZINC000096060320 495000102 /nfs/dbraw/zinc/00/01/02/495000102.db2.gz UXUXXPGRMKPOBF-SFHVURJKSA-N 1 2 355.482 3.438 40 0 FGABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)C(C)C)CC2 ZINC000096145000 495004334 /nfs/dbraw/zinc/00/43/34/495004334.db2.gz FWDRSXGVTXLRLS-UHFFFAOYSA-N 1 2 366.509 3.359 40 0 FGABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)C(C)C)CC2 ZINC000096145000 495004336 /nfs/dbraw/zinc/00/43/36/495004336.db2.gz FWDRSXGVTXLRLS-UHFFFAOYSA-N 1 2 366.509 3.359 40 0 FGABLO O=C(CC1=CCCCC1)N1Cc2c[nH+]cn2[C@@H](COc2ccccn2)C1 ZINC000247866784 496921744 /nfs/dbraw/zinc/92/17/44/496921744.db2.gz OXGAGEPBTJJRND-GOSISDBHSA-N 1 2 352.438 3.131 40 0 FGABLO Cc1csc(C[NH+]2CC3(C2)C[C@H](OCc2cccc(C)n2)CS3)n1 ZINC000247872119 496923818 /nfs/dbraw/zinc/92/38/18/496923818.db2.gz LSCKYXFHMMALED-INIZCTEOSA-N 1 2 361.536 3.432 40 0 FGABLO CCc1nc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2n1C ZINC000225897258 497078627 /nfs/dbraw/zinc/07/86/27/497078627.db2.gz VRIYTOIDELOAOE-UHFFFAOYSA-N 1 2 362.477 3.094 40 0 FGABLO CN(C)c1nccnc1[C@H]1C[N@H+](Cc2cc3ccccc3s2)CCO1 ZINC000257228539 497393972 /nfs/dbraw/zinc/39/39/72/497393972.db2.gz FUFKNLNNLYPNRI-MRXNPFEDSA-N 1 2 354.479 3.331 40 0 FGABLO CN(C)c1nccnc1[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CCO1 ZINC000257228539 497393975 /nfs/dbraw/zinc/39/39/75/497393975.db2.gz FUFKNLNNLYPNRI-MRXNPFEDSA-N 1 2 354.479 3.331 40 0 FGABLO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000257231873 497394009 /nfs/dbraw/zinc/39/40/09/497394009.db2.gz GIMSRIYNCNNBAD-CYBMUJFWSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000257231873 497394013 /nfs/dbraw/zinc/39/40/13/497394013.db2.gz GIMSRIYNCNNBAD-CYBMUJFWSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCC[N@@H+]2Cc2cncs2)n1 ZINC000257245680 497395351 /nfs/dbraw/zinc/39/53/51/497395351.db2.gz IQPABYVMEONPRR-OAHLLOKOSA-N 1 2 367.482 3.421 40 0 FGABLO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCC[N@H+]2Cc2cncs2)n1 ZINC000257245680 497395356 /nfs/dbraw/zinc/39/53/56/497395356.db2.gz IQPABYVMEONPRR-OAHLLOKOSA-N 1 2 367.482 3.421 40 0 FGABLO COc1ccc2[nH]cc(C(=O)N3CCC[C@H](c4[nH+]c(C)cn4C)C3)c2c1 ZINC000257281779 497397492 /nfs/dbraw/zinc/39/74/92/497397492.db2.gz OQZMKUADQGSBFP-AWEZNQCLSA-N 1 2 352.438 3.238 40 0 FGABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2Cc2ccnn2C(C)C)c1 ZINC000257318922 497402220 /nfs/dbraw/zinc/40/22/20/497402220.db2.gz VPYVHYIQZPKCKV-LJQANCHMSA-N 1 2 351.454 3.426 40 0 FGABLO Cc1noc(C)c1-c1cc(C2CC[NH+](Cc3ncc[nH]3)CC2)nc(C)n1 ZINC000257307594 497402758 /nfs/dbraw/zinc/40/27/58/497402758.db2.gz SZJOLGKHGCJKQD-UHFFFAOYSA-N 1 2 352.442 3.160 40 0 FGABLO COCCNc1nsc2nc([C@@H]3CCCN3c3cc[nH+]c(C)n3)ccc12 ZINC000257321801 497403739 /nfs/dbraw/zinc/40/37/39/497403739.db2.gz WDHQTDGOYSBSKG-HNNXBMFYSA-N 1 2 370.482 3.190 40 0 FGABLO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000257342307 497405535 /nfs/dbraw/zinc/40/55/35/497405535.db2.gz ZOCAGMHBXGCWET-INIZCTEOSA-N 1 2 363.469 3.037 40 0 FGABLO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000257342307 497405542 /nfs/dbraw/zinc/40/55/42/497405542.db2.gz ZOCAGMHBXGCWET-INIZCTEOSA-N 1 2 363.469 3.037 40 0 FGABLO Cc1ccc(-c2c[nH+]c3n2C[C@]2(CCN(C(=O)Cc4ccco4)C2)C3)cc1 ZINC000306140870 498740424 /nfs/dbraw/zinc/74/04/24/498740424.db2.gz VFXXRTWKMTVVCX-JOCHJYFZSA-N 1 2 361.445 3.469 40 0 FGABLO Fc1cccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000328963817 498999728 /nfs/dbraw/zinc/99/97/28/498999728.db2.gz BRRVBVHBNIBUEV-UHFFFAOYSA-N 1 2 363.440 3.488 40 0 FGABLO OCCCNc1nc(Nc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328972659 499002206 /nfs/dbraw/zinc/00/22/06/499002206.db2.gz DXBFRUORCGAATD-UHFFFAOYSA-N 1 2 354.841 3.179 40 0 FGABLO CC(C)[C@H](CO)Nc1nc(Nc2cccc(O)c2)cc(-c2ccccc2)[nH+]1 ZINC000329050148 499026466 /nfs/dbraw/zinc/02/64/66/499026466.db2.gz UTKMKLHFBXJCSU-IBGZPJMESA-N 1 2 364.449 3.444 40 0 FGABLO CC[C@H](C)Nc1nc(NCc2cccc(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000329050881 499026824 /nfs/dbraw/zinc/02/68/24/499026824.db2.gz UVTNMEMORYVIKD-AWEZNQCLSA-N 1 2 351.429 3.344 40 0 FGABLO CC(C)COCCc1c[nH+]c2n1CCN(Cc1ccc(CO)cc1)[C@H]2C ZINC000585097556 507566893 /nfs/dbraw/zinc/56/68/93/507566893.db2.gz LQYIQKHRZQYYRO-KRWDZBQOSA-N 1 2 357.498 3.167 40 0 FGABLO COc1cccc(C[NH+]2CC3(C2)C[C@H](OCc2cccc(C)n2)CCO3)c1 ZINC000585104342 507570454 /nfs/dbraw/zinc/57/04/54/507570454.db2.gz HHVWDTZWYYUMDW-OAQYLSRUSA-N 1 2 368.477 3.349 40 0 FGABLO COCc1ccc(C(=O)N2CCc3[nH+]cc(-c4ccccc4)n3CC2)cc1 ZINC000585111375 507574748 /nfs/dbraw/zinc/57/47/48/507574748.db2.gz RGJDYXWSHCRQGE-UHFFFAOYSA-N 1 2 361.445 3.395 40 0 FGABLO CSc1cccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)c1 ZINC000329037937 203848026 /nfs/dbraw/zinc/84/80/26/203848026.db2.gz RPSAHXIDMAXNEM-AWEZNQCLSA-N 1 2 366.490 3.246 40 0 FGABLO COc1cccc(C(=O)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000057681252 205244237 /nfs/dbraw/zinc/24/42/37/205244237.db2.gz ZVFXFVPNIRGXQN-UHFFFAOYSA-N 1 2 358.482 3.039 40 0 FGABLO CNc1nc([C@@H]2CCCCN2C(=O)CC2CCCC2)nc2c1C[N@H+](C)CC2 ZINC000072372188 494160080 /nfs/dbraw/zinc/16/00/80/494160080.db2.gz NEYRMMVGCAKMIV-SFHVURJKSA-N 1 2 371.529 3.140 40 0 FGABLO CNc1nc([C@@H]2CCCCN2C(=O)CC2CCCC2)nc2c1C[N@@H+](C)CC2 ZINC000072372188 494160081 /nfs/dbraw/zinc/16/00/81/494160081.db2.gz NEYRMMVGCAKMIV-SFHVURJKSA-N 1 2 371.529 3.140 40 0 FGABLO O=C(NC1CC[NH+](Cc2cccc(F)c2)CC1)c1[nH]nc2c1CCCCC2 ZINC000012147359 494209605 /nfs/dbraw/zinc/20/96/05/494209605.db2.gz AEUOTXADNHYGAJ-UHFFFAOYSA-N 1 2 370.472 3.212 40 0 FGABLO COc1ccc(C[N@@H+]2CC[C@@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)cc1 ZINC000012255218 494218029 /nfs/dbraw/zinc/21/80/29/494218029.db2.gz IIPUPDHPGNZQRK-MRXNPFEDSA-N 1 2 352.438 3.050 40 0 FGABLO COc1ccc(C[N@H+]2CC[C@@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)cc1 ZINC000012255218 494218031 /nfs/dbraw/zinc/21/80/31/494218031.db2.gz IIPUPDHPGNZQRK-MRXNPFEDSA-N 1 2 352.438 3.050 40 0 FGABLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)cc1O ZINC000019559694 494449242 /nfs/dbraw/zinc/44/92/42/494449242.db2.gz DFKHPIJUARRGOP-MAUKXSAKSA-N 1 2 366.465 3.053 40 0 FGABLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)cc1O ZINC000019559694 494449246 /nfs/dbraw/zinc/44/92/46/494449246.db2.gz DFKHPIJUARRGOP-MAUKXSAKSA-N 1 2 366.465 3.053 40 0 FGABLO Cc1c2ccccc2[nH]c1C[N@@H+]1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 ZINC000019565928 494450573 /nfs/dbraw/zinc/45/05/73/494450573.db2.gz HNNNRMPRHNEURL-UHFFFAOYSA-N 1 2 371.444 3.180 40 0 FGABLO Cc1c2ccccc2[nH]c1C[N@H+]1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 ZINC000019565928 494450578 /nfs/dbraw/zinc/45/05/78/494450578.db2.gz HNNNRMPRHNEURL-UHFFFAOYSA-N 1 2 371.444 3.180 40 0 FGABLO Cc1nn(C)cc1C[N@H+]1[C@@H]2CC[C@H]1Cc1c2cnc2cc(-c3ccco3)nn21 ZINC000019583729 494450877 /nfs/dbraw/zinc/45/08/77/494450877.db2.gz ATNNGFATBYHACD-MAUKXSAKSA-N 1 2 374.448 3.293 40 0 FGABLO Cc1nn(C)cc1C[N@@H+]1[C@@H]2CC[C@H]1Cc1c2cnc2cc(-c3ccco3)nn21 ZINC000019583729 494450882 /nfs/dbraw/zinc/45/08/82/494450882.db2.gz ATNNGFATBYHACD-MAUKXSAKSA-N 1 2 374.448 3.293 40 0 FGABLO COc1ccc2[nH]c(C)c(-c3csc(NC(=O)Cn4cc[nH+]c4)n3)c2c1 ZINC000019581511 494451198 /nfs/dbraw/zinc/45/11/98/494451198.db2.gz YIGRRXXWUUPWKU-UHFFFAOYSA-N 1 2 367.434 3.444 40 0 FGABLO O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000019932689 494464431 /nfs/dbraw/zinc/46/44/31/494464431.db2.gz LIPBBUCHRSLOGH-UHFFFAOYSA-N 1 2 354.494 3.217 40 0 FGABLO CC(C)n1cnc2c1[C@H](C(=O)NCCc1cccc(F)c1)[N@@H+](C(C)C)CC2 ZINC000096147208 495004563 /nfs/dbraw/zinc/00/45/63/495004563.db2.gz WHULITBVFVJAIX-HXUWFJFHSA-N 1 2 372.488 3.270 40 0 FGABLO CC(C)n1cnc2c1[C@H](C(=O)NCCc1cccc(F)c1)[N@H+](C(C)C)CC2 ZINC000096147208 495004566 /nfs/dbraw/zinc/00/45/66/495004566.db2.gz WHULITBVFVJAIX-HXUWFJFHSA-N 1 2 372.488 3.270 40 0 FGABLO Cc1[nH+]c(-c2cc(C(=O)NC3CC3)c3ccccn23)cn1Cc1cccnc1 ZINC000096266820 495008515 /nfs/dbraw/zinc/00/85/15/495008515.db2.gz DLMDEXQWEWQGHT-UHFFFAOYSA-N 1 2 371.444 3.447 40 0 FGABLO CCOC[C@@H]1CN(C(=O)Cc2csc3ccccc23)Cc2c[nH+]cn21 ZINC000253383635 497329206 /nfs/dbraw/zinc/32/92/06/497329206.db2.gz MCUTVJAVCXXEDI-INIZCTEOSA-N 1 2 355.463 3.260 40 0 FGABLO CCOC[C@H]1CN(C(=O)Cc2csc3ccccc23)Cc2c[nH+]cn21 ZINC000253383636 497329233 /nfs/dbraw/zinc/32/92/33/497329233.db2.gz MCUTVJAVCXXEDI-MRXNPFEDSA-N 1 2 355.463 3.260 40 0 FGABLO Cc1nc(Nc2nccs2)cc([C@H]2CCCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257208421 497390879 /nfs/dbraw/zinc/39/08/79/497390879.db2.gz BMCHIIMWUYBJEK-MRXNPFEDSA-N 1 2 369.498 3.446 40 0 FGABLO Cc1nc(Nc2nccs2)cc([C@H]2CCCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257208421 497390883 /nfs/dbraw/zinc/39/08/83/497390883.db2.gz BMCHIIMWUYBJEK-MRXNPFEDSA-N 1 2 369.498 3.446 40 0 FGABLO Cc1[nH+]c(C2(C)CCN(C(=O)Cc3cccnc3)CC2)c2sccn12 ZINC000257227744 497393726 /nfs/dbraw/zinc/39/37/26/497393726.db2.gz FQRZTRLPCHZXQX-UHFFFAOYSA-N 1 2 354.479 3.222 40 0 FGABLO CC(=O)N1CC[C@H](c2n[nH]cc2-c2cc[nH+]c(NCc3ccccc3)c2)C1 ZINC000257260087 497395977 /nfs/dbraw/zinc/39/59/77/497395977.db2.gz LBGRMMHACAZDMO-SFHVURJKSA-N 1 2 361.449 3.420 40 0 FGABLO CNc1cccc([C@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257278010 497397560 /nfs/dbraw/zinc/39/75/60/497397560.db2.gz OAJHKLRINCMZLA-OAHLLOKOSA-N 1 2 355.467 3.148 40 0 FGABLO CNc1cccc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257278010 497397564 /nfs/dbraw/zinc/39/75/64/497397564.db2.gz OAJHKLRINCMZLA-OAHLLOKOSA-N 1 2 355.467 3.148 40 0 FGABLO CN(C)c1cc([C@@H]2CCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)cc[nH+]1 ZINC000257300499 497401009 /nfs/dbraw/zinc/40/10/09/497401009.db2.gz RUNVENYAGRXRPP-OAHLLOKOSA-N 1 2 355.486 3.188 40 0 FGABLO Cc1cc(C)nc([C@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257296904 497401277 /nfs/dbraw/zinc/40/12/77/497401277.db2.gz REXMZHQJJRIGCF-OAHLLOKOSA-N 1 2 355.467 3.119 40 0 FGABLO Cc1cc(C)nc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257296904 497401280 /nfs/dbraw/zinc/40/12/80/497401280.db2.gz REXMZHQJJRIGCF-OAHLLOKOSA-N 1 2 355.467 3.119 40 0 FGABLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)cn1 ZINC000257318291 497402235 /nfs/dbraw/zinc/40/22/35/497402235.db2.gz VNGIEJPGUNFZJM-OAHLLOKOSA-N 1 2 355.471 3.137 40 0 FGABLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)cn1 ZINC000257318291 497402241 /nfs/dbraw/zinc/40/22/41/497402241.db2.gz VNGIEJPGUNFZJM-OAHLLOKOSA-N 1 2 355.471 3.137 40 0 FGABLO Cc1[nH+]cc(-c2nccnc2CC2CCN(C(=O)CC(C)(C)C)CC2)n1C ZINC000257327168 497403568 /nfs/dbraw/zinc/40/35/68/497403568.db2.gz XAGYPHAJKUUOCW-UHFFFAOYSA-N 1 2 369.513 3.403 40 0 FGABLO CCn1ccnc1C[N@H+]1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257325855 497403725 /nfs/dbraw/zinc/40/37/25/497403725.db2.gz WUSVEVULYZYMSS-QYZOEREBSA-N 1 2 370.472 3.417 40 0 FGABLO CCn1ccnc1C[N@@H+]1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257325855 497403728 /nfs/dbraw/zinc/40/37/28/497403728.db2.gz WUSVEVULYZYMSS-QYZOEREBSA-N 1 2 370.472 3.417 40 0 FGABLO CCn1cc[nH+]c1CN1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257325855 497403731 /nfs/dbraw/zinc/40/37/31/497403731.db2.gz WUSVEVULYZYMSS-QYZOEREBSA-N 1 2 370.472 3.417 40 0 FGABLO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)s1 ZINC000257336143 497405019 /nfs/dbraw/zinc/40/50/19/497405019.db2.gz YNJNDIYQCSUDDE-ZDUSSCGKSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)s1 ZINC000257336143 497405023 /nfs/dbraw/zinc/40/50/23/497405023.db2.gz YNJNDIYQCSUDDE-ZDUSSCGKSA-N 1 2 355.471 3.088 40 0 FGABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1ccc(O)cc1 ZINC000261365988 497407187 /nfs/dbraw/zinc/40/71/87/497407187.db2.gz WTGFHFHJMSLBFA-QGZVFWFLSA-O 1 2 367.454 3.317 40 0 FGABLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2csnn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245565526 497459894 /nfs/dbraw/zinc/45/98/94/497459894.db2.gz PSZNBZSLOBLNKO-DZGCQCFKSA-N 1 2 368.865 3.284 40 0 FGABLO CC(C)[N@H+]1CC[C@H](NC(=O)c2csnn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245565526 497459897 /nfs/dbraw/zinc/45/98/97/497459897.db2.gz PSZNBZSLOBLNKO-DZGCQCFKSA-N 1 2 368.865 3.284 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000306133000 498738699 /nfs/dbraw/zinc/73/86/99/498738699.db2.gz LYOOVKVCNJYMBU-HKUYNNGSSA-N 1 2 355.415 3.295 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000306133000 498738707 /nfs/dbraw/zinc/73/87/07/498738707.db2.gz LYOOVKVCNJYMBU-HKUYNNGSSA-N 1 2 355.415 3.295 40 0 FGABLO Cc1cccc(Cl)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329013595 499014680 /nfs/dbraw/zinc/01/46/80/499014680.db2.gz MQZRZOGOCWCEFG-AWEZNQCLSA-N 1 2 368.868 3.486 40 0 FGABLO CSc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NCCCO)n1 ZINC000329015471 499015635 /nfs/dbraw/zinc/01/56/35/499015635.db2.gz NBIDXZYEABXSJW-UHFFFAOYSA-N 1 2 366.490 3.247 40 0 FGABLO CC(C)[C@H](CO)Nc1nc(Nc2c(F)ccc(F)c2F)cc(C2CC2)[nH+]1 ZINC000329054839 499027921 /nfs/dbraw/zinc/02/79/21/499027921.db2.gz VMBBBUFGGHRIOC-AWEZNQCLSA-N 1 2 366.387 3.366 40 0 FGABLO O=C(NCC[C@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)c1ccccc1 ZINC000585112637 507576161 /nfs/dbraw/zinc/57/61/61/507576161.db2.gz UQVUWZHGFBVMNQ-KRWDZBQOSA-N 1 2 366.490 3.322 40 0 FGABLO O=C(NCC[C@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)c1ccccc1 ZINC000585112637 507576168 /nfs/dbraw/zinc/57/61/68/507576168.db2.gz UQVUWZHGFBVMNQ-KRWDZBQOSA-N 1 2 366.490 3.322 40 0 FGABLO O=C(NCC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21)c1ccsc1 ZINC000585112696 507576318 /nfs/dbraw/zinc/57/63/18/507576318.db2.gz VLSKFTUJNDEKJF-MRXNPFEDSA-N 1 2 372.519 3.383 40 0 FGABLO O=C(NCC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21)c1ccsc1 ZINC000585112696 507576324 /nfs/dbraw/zinc/57/63/24/507576324.db2.gz VLSKFTUJNDEKJF-MRXNPFEDSA-N 1 2 372.519 3.383 40 0 FGABLO O=C(C[NH+]1CCCC1)Nc1cc(Br)ccc1Br ZINC000409384986 570755090 /nfs/dbraw/zinc/75/50/90/570755090.db2.gz GZGWDMWFCIGZMQ-UHFFFAOYSA-N 1 2 362.065 3.246 40 0 FGABLO C[NH+](C)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 ZINC000004214740 204127026 /nfs/dbraw/zinc/12/70/26/204127026.db2.gz GJSLOMWRLALDCT-UHFFFAOYSA-N 1 2 351.841 3.333 40 0 world FGABLO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000001370920 206149698 /nfs/dbraw/zinc/14/96/98/206149698.db2.gz KSEHNLGAEZDXMB-OUKQBFOZSA-N 1 2 360.461 3.418 40 0 FGABLO O=C(C[NH+]1CCC(C(=O)c2cccc(F)c2)CC1)NCc1cccs1 ZINC000004966776 206186603 /nfs/dbraw/zinc/18/66/03/206186603.db2.gz ZKBCQONWMQOERU-UHFFFAOYSA-N 1 2 360.454 3.098 40 0 FGABLO CC(C)c1noc([C@@H]2C[C@@H](O)C[N@@H+]2Cc2cccc(OC(F)(F)F)c2)n1 ZINC000015674763 206315829 /nfs/dbraw/zinc/31/58/29/206315829.db2.gz PQCVRBVYCMBMIT-OCCSQVGLSA-N 1 2 371.359 3.400 40 0 biogenic,in-vitro FGABLO CC(C)c1noc([C@@H]2C[C@@H](O)C[N@H+]2Cc2cccc(OC(F)(F)F)c2)n1 ZINC000015674763 206315834 /nfs/dbraw/zinc/31/58/34/206315834.db2.gz PQCVRBVYCMBMIT-OCCSQVGLSA-N 1 2 371.359 3.400 40 0 biogenic,in-vitro FGABLO COc1ccccc1C[NH+]1CC2(C1)C[C@H](OCc1cnccc1C)CCO2 ZINC000247851862 206563810 /nfs/dbraw/zinc/56/38/10/206563810.db2.gz WAUYOEXIRGJGTR-HXUWFJFHSA-N 1 2 368.477 3.349 40 0 FGABLO Cc1nc(N2CCO[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)cc[nH+]1 ZINC000257283440 132296410 /nfs/dbraw/zinc/29/64/10/132296410.db2.gz OYIOWTDYJFNCBH-QGZVFWFLSA-N 1 2 354.385 3.081 40 0 FGABLO CC[C@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000057669816 136129850 /nfs/dbraw/zinc/12/98/50/136129850.db2.gz SRBJPSFBIZFEAK-GOSISDBHSA-N 1 2 372.517 3.100 40 0 FGABLO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377437 494159126 /nfs/dbraw/zinc/15/91/26/494159126.db2.gz WSQHXYCZQSWDMI-SFHVURJKSA-N 1 2 362.437 3.356 40 0 FGABLO COc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377437 494159128 /nfs/dbraw/zinc/15/91/28/494159128.db2.gz WSQHXYCZQSWDMI-SFHVURJKSA-N 1 2 362.437 3.356 40 0 FGABLO CC(C)c1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3cc[nH]n3)CC2)n1 ZINC000072378573 494160714 /nfs/dbraw/zinc/16/07/14/494160714.db2.gz VQAIBJDOULKYPU-UHFFFAOYSA-N 1 2 364.453 3.134 40 0 FGABLO CC(C)c1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3ccn[nH]3)CC2)n1 ZINC000072378573 494160720 /nfs/dbraw/zinc/16/07/20/494160720.db2.gz VQAIBJDOULKYPU-UHFFFAOYSA-N 1 2 364.453 3.134 40 0 FGABLO COc1ccc(Oc2cncc([C@H]3CCCN3Cc3[nH+]ccn3C)n2)cc1 ZINC000072384208 494162038 /nfs/dbraw/zinc/16/20/38/494162038.db2.gz WLVUIKLFHWQEHU-GOSISDBHSA-N 1 2 365.437 3.348 40 0 FGABLO Cc1cc(OCC(=O)NCc2noc(-c3ccccc3)n2)c2ccccc2[nH+]1 ZINC000012147389 494209205 /nfs/dbraw/zinc/20/92/05/494209205.db2.gz HFXOTJSPZLHCIU-UHFFFAOYSA-N 1 2 374.400 3.288 40 0 FGABLO COc1ccc(F)c(C[N@@H+]2CC[C@@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)c1 ZINC000012745818 494254579 /nfs/dbraw/zinc/25/45/79/494254579.db2.gz LHAXFBWUCHXRPL-CQSZACIVSA-N 1 2 370.428 3.189 40 0 FGABLO COc1ccc(F)c(C[N@H+]2CC[C@@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)c1 ZINC000012745818 494254584 /nfs/dbraw/zinc/25/45/84/494254584.db2.gz LHAXFBWUCHXRPL-CQSZACIVSA-N 1 2 370.428 3.189 40 0 FGABLO COc1ccc(C[N@@H+]2CC[C@@H](c3cc4nc(C)cc(=O)n4[nH]3)C2)c(C)c1C ZINC000013225706 494282334 /nfs/dbraw/zinc/28/23/34/494282334.db2.gz WJWLENNRYVUAMO-QGZVFWFLSA-N 1 2 366.465 3.358 40 0 FGABLO COc1ccc(C[N@H+]2CC[C@@H](c3cc4nc(C)cc(=O)n4[nH]3)C2)c(C)c1C ZINC000013225706 494282336 /nfs/dbraw/zinc/28/23/36/494282336.db2.gz WJWLENNRYVUAMO-QGZVFWFLSA-N 1 2 366.465 3.358 40 0 FGABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2ccccc2)CC1 ZINC000013504098 494288594 /nfs/dbraw/zinc/28/85/94/494288594.db2.gz DSKWXEBBEIMQIY-SFHVURJKSA-N 1 2 356.518 3.482 40 0 FGABLO Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000019117735 494436030 /nfs/dbraw/zinc/43/60/30/494436030.db2.gz YAVJFEYUBWZFJJ-OAHLLOKOSA-N 1 2 367.478 3.116 40 0 FGABLO Cc1ccc([C@H]([NH3+])c2nc(-c3cc(Br)ccc3O)n[nH]2)cc1 ZINC000095534134 494989271 /nfs/dbraw/zinc/98/92/71/494989271.db2.gz FNTGRCCGOXWSKT-AWEZNQCLSA-N 1 2 359.227 3.296 40 0 FGABLO Cc1noc(C)c1C[N@@H+]1CCc2c(COCc3ccncc3)cncc2C1 ZINC000096059328 494999692 /nfs/dbraw/zinc/99/96/92/494999692.db2.gz CUILHELOAMJCIA-UHFFFAOYSA-N 1 2 364.449 3.357 40 0 FGABLO Cc1noc(C)c1C[N@H+]1CCc2c(COCc3ccncc3)cncc2C1 ZINC000096059328 494999697 /nfs/dbraw/zinc/99/96/97/494999697.db2.gz CUILHELOAMJCIA-UHFFFAOYSA-N 1 2 364.449 3.357 40 0 FGABLO c1csc(C[N@H+]2Cc3nccn3C[C@@H](COCc3cccnc3)C2)c1 ZINC000096059137 495000231 /nfs/dbraw/zinc/00/02/31/495000231.db2.gz WBTWTOAYLVIEAH-KRWDZBQOSA-N 1 2 354.479 3.188 40 0 FGABLO c1csc(C[N@@H+]2Cc3nccn3C[C@@H](COCc3cccnc3)C2)c1 ZINC000096059137 495000235 /nfs/dbraw/zinc/00/02/35/495000235.db2.gz WBTWTOAYLVIEAH-KRWDZBQOSA-N 1 2 354.479 3.188 40 0 FGABLO Cc1ccsc1C(=O)N1CCC2(C[C@@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221353 495007316 /nfs/dbraw/zinc/00/73/16/495007316.db2.gz XTFRAGQYPBQRIB-OAHLLOKOSA-N 1 2 357.479 3.327 40 0 FGABLO Cc1ccc(C[N@@H+]2CCc3c([nH]c4cc(-c5ccoc5C)nn4c3=O)C2)o1 ZINC000100182169 495063870 /nfs/dbraw/zinc/06/38/70/495063870.db2.gz ISDWSZGESNRHFM-UHFFFAOYSA-N 1 2 364.405 3.463 40 0 FGABLO Cc1ccc(C[N@H+]2CCc3c([nH]c4cc(-c5ccoc5C)nn4c3=O)C2)o1 ZINC000100182169 495063875 /nfs/dbraw/zinc/06/38/75/495063875.db2.gz ISDWSZGESNRHFM-UHFFFAOYSA-N 1 2 364.405 3.463 40 0 FGABLO Clc1ccc(C[NH+]2CC3(C2)OCC[C@H]3COCC2CCOCC2)cc1 ZINC000253489446 497335678 /nfs/dbraw/zinc/33/56/78/497335678.db2.gz FGNRUCPXHYGYLE-SFHVURJKSA-N 1 2 365.901 3.374 40 0 FGABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(C)(c2nccs2)CC1 ZINC000257252731 497395097 /nfs/dbraw/zinc/39/50/97/497395097.db2.gz JVYHTXBGLFONNI-UHFFFAOYSA-N 1 2 354.479 3.382 40 0 FGABLO CNc1cc([C@@H]2CCCN(C(=O)Cc3ccc(OC)c(F)c3)C2)cc[nH+]1 ZINC000257312961 497402836 /nfs/dbraw/zinc/40/28/36/497402836.db2.gz UQKSUDGFVDNSPS-MRXNPFEDSA-N 1 2 357.429 3.220 40 0 FGABLO OCCNc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328964552 499000094 /nfs/dbraw/zinc/00/00/94/499000094.db2.gz BVIHHVMQFVBOBP-UHFFFAOYSA-N 1 2 374.366 3.154 40 0 FGABLO COc1cc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc(OC)c1 ZINC000328969941 499002380 /nfs/dbraw/zinc/00/23/80/499002380.db2.gz DGVSICWLFBQYCO-UHFFFAOYSA-N 1 2 354.454 3.313 40 0 FGABLO CC[C@@H](C)Nc1nc(NCc2cccc(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000329050882 499026597 /nfs/dbraw/zinc/02/65/97/499026597.db2.gz UVTNMEMORYVIKD-CQSZACIVSA-N 1 2 351.429 3.344 40 0 FGABLO C[C@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329055380 499028412 /nfs/dbraw/zinc/02/84/12/499028412.db2.gz VNPIHPZTUVSLSN-SECBINFHSA-N 1 2 353.253 3.041 40 0 FGABLO O=C(c1ccc(F)cc1)N1C[C@@H]2c3[nH+]cc(-c4ccncc4)n3CC[C@@H]2C1 ZINC000306131561 518202116 /nfs/dbraw/zinc/20/21/16/518202116.db2.gz KIQJDGRSALCNIV-AEFFLSMTSA-N 1 2 362.408 3.344 40 0 FGABLO Cc1ccc(SCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000020488319 525660259 /nfs/dbraw/zinc/66/02/59/525660259.db2.gz DOYBXZDAIXDKCL-UHFFFAOYSA-N 1 2 370.518 3.349 40 0 FGABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccco2)n1 ZINC000035424879 204262519 /nfs/dbraw/zinc/26/25/19/204262519.db2.gz YNGXGMCWAFTNES-INIZCTEOSA-N 1 2 369.425 3.120 40 0 biogenic,in-vitro FGABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccco2)n1 ZINC000035424879 204262523 /nfs/dbraw/zinc/26/25/23/204262523.db2.gz YNGXGMCWAFTNES-INIZCTEOSA-N 1 2 369.425 3.120 40 0 biogenic,in-vitro FGABLO Cc1nc(N(C)c2ccccc2)sc1C(=O)NCCCn1cc[nH+]c1 ZINC000022245525 204774267 /nfs/dbraw/zinc/77/42/67/204774267.db2.gz HIKGHWUULDZSNX-UHFFFAOYSA-N 1 2 355.467 3.236 40 0 FGABLO C=Cn1cc(C[N@H+](Cc2cc(OC)ccc2OC)C[C@H]2CCCO2)c(C)n1 ZINC000057811276 205245689 /nfs/dbraw/zinc/24/56/89/205245689.db2.gz BCHRGVXHJCLKTL-HXUWFJFHSA-N 1 2 371.481 3.490 40 0 FGABLO C=Cn1cc(C[N@@H+](Cc2cc(OC)ccc2OC)C[C@H]2CCCO2)c(C)n1 ZINC000057811276 205245693 /nfs/dbraw/zinc/24/56/93/205245693.db2.gz BCHRGVXHJCLKTL-HXUWFJFHSA-N 1 2 371.481 3.490 40 0 FGABLO COc1ccc(-c2ncc(C[N@H+](C)Cc3[nH]nc4c3CCCC4)cn2)cc1 ZINC000057811466 205246648 /nfs/dbraw/zinc/24/66/48/205246648.db2.gz WPHTXEOFWCRGMX-UHFFFAOYSA-N 1 2 363.465 3.386 40 0 FGABLO COc1ccc(-c2ncc(C[N@@H+](C)Cc3[nH]nc4c3CCCC4)cn2)cc1 ZINC000057811466 205246651 /nfs/dbraw/zinc/24/66/51/205246651.db2.gz WPHTXEOFWCRGMX-UHFFFAOYSA-N 1 2 363.465 3.386 40 0 FGABLO O=C(c1cscn1)N1C[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000107249465 206016094 /nfs/dbraw/zinc/01/60/94/206016094.db2.gz FPRCCZOJQJKXHB-IUODEOHRSA-N 1 2 367.396 3.118 40 0 FGABLO O=C(c1cscn1)N1C[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000107249465 206016100 /nfs/dbraw/zinc/01/61/00/206016100.db2.gz FPRCCZOJQJKXHB-IUODEOHRSA-N 1 2 367.396 3.118 40 0 FGABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000015674914 206316117 /nfs/dbraw/zinc/31/61/17/206316117.db2.gz QLVFMCULYATBFQ-SJORKVTESA-N 1 2 357.360 3.323 40 0 biogenic,in-vitro FGABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000015674914 206316119 /nfs/dbraw/zinc/31/61/19/206316119.db2.gz QLVFMCULYATBFQ-SJORKVTESA-N 1 2 357.360 3.323 40 0 biogenic,in-vitro FGABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N(C)C)[nH+]c2)cc1 ZINC000072212634 494144590 /nfs/dbraw/zinc/14/45/90/494144590.db2.gz WGAAACXYBZEYAQ-GOSISDBHSA-N 1 2 359.495 3.372 40 0 FGABLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c3cnc3cc(C)nn32)ccc1O ZINC000072336910 494153904 /nfs/dbraw/zinc/15/39/04/494153904.db2.gz LMEMBXYJRQATAZ-GOEBONIOSA-N 1 2 350.422 3.014 40 0 FGABLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c3cnc3cc(C)nn32)ccc1O ZINC000072336910 494153907 /nfs/dbraw/zinc/15/39/07/494153907.db2.gz LMEMBXYJRQATAZ-GOEBONIOSA-N 1 2 350.422 3.014 40 0 FGABLO COc1ccc(Oc2cncc(C3CC[NH+](Cc4ncc[nH]4)CC3)n2)cc1 ZINC000072363003 494158452 /nfs/dbraw/zinc/15/84/52/494158452.db2.gz SYZASCLBOXCPBI-UHFFFAOYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(CC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)c(F)c2)c1 ZINC000012114999 494205045 /nfs/dbraw/zinc/20/50/45/494205045.db2.gz NEEYDJPKDZDYJJ-IBGZPJMESA-N 1 2 371.387 3.155 40 0 FGABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000012120669 494205767 /nfs/dbraw/zinc/20/57/67/494205767.db2.gz PKJOBCXOCYYYTK-UHFFFAOYSA-N 1 2 352.825 3.044 40 0 FGABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1cccc(Cl)c1)C2 ZINC000012120669 494205771 /nfs/dbraw/zinc/20/57/71/494205771.db2.gz PKJOBCXOCYYYTK-UHFFFAOYSA-N 1 2 352.825 3.044 40 0 FGABLO C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000012116310 494206268 /nfs/dbraw/zinc/20/62/68/494206268.db2.gz UFKVGUYLOYUAQX-NVXWUHKLSA-N 1 2 354.498 3.485 40 0 FGABLO COc1ccc(OC)c(-c2csc(NC(=O)[C@@H](C)n3cc[nH+]c3)n2)c1 ZINC000019080683 494434439 /nfs/dbraw/zinc/43/44/39/494434439.db2.gz IQVOIDBKMOHUSS-LLVKDONJSA-N 1 2 358.423 3.224 40 0 FGABLO COc1ccc(-c2csc(NC(=O)[C@@H](C)n3cc[nH+]c3)n2)cc1OC ZINC000019080693 494434748 /nfs/dbraw/zinc/43/47/48/494434748.db2.gz XOIGCTKVURKUSE-LLVKDONJSA-N 1 2 358.423 3.224 40 0 FGABLO CCn1cc(NC(=O)C[N@@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)c(C)n1 ZINC000019524610 494447409 /nfs/dbraw/zinc/44/74/09/494447409.db2.gz PHHIIXZZUKGDQR-MRXNPFEDSA-N 1 2 374.460 3.080 40 0 FGABLO CCn1cc(NC(=O)C[N@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)c(C)n1 ZINC000019524610 494447412 /nfs/dbraw/zinc/44/74/12/494447412.db2.gz PHHIIXZZUKGDQR-MRXNPFEDSA-N 1 2 374.460 3.080 40 0 FGABLO Cc1nonc1C(=O)N1CCC(c2[nH+]c(C)n3c(C)c(C)sc23)CC1 ZINC000019558722 494449015 /nfs/dbraw/zinc/44/90/15/494449015.db2.gz RWINFAWXNQWUIX-UHFFFAOYSA-N 1 2 359.455 3.032 40 0 FGABLO Cc1c(C[N@@H+]2CCO[C@H](c3ccc(Cc4ccccc4)cn3)C2)cnn1C ZINC000019692895 494454948 /nfs/dbraw/zinc/45/49/48/494454948.db2.gz OZDYDHWPPVDCKC-QFIPXVFZSA-N 1 2 362.477 3.288 40 0 FGABLO Cc1c(C[N@H+]2CCO[C@H](c3ccc(Cc4ccccc4)cn3)C2)cnn1C ZINC000019692895 494454950 /nfs/dbraw/zinc/45/49/50/494454950.db2.gz OZDYDHWPPVDCKC-QFIPXVFZSA-N 1 2 362.477 3.288 40 0 FGABLO CCn1cc(-c2cc(NCCCOc3cccc(C)c3)nc(N)[nH+]2)cn1 ZINC000019717879 494457115 /nfs/dbraw/zinc/45/71/15/494457115.db2.gz FWFGUNGLCKRULN-UHFFFAOYSA-N 1 2 352.442 3.132 40 0 FGABLO COc1ccc(-c2cc(CC3([NH2+]Cc4ccc(C)o4)COC3)no2)cc1 ZINC000067898354 494688146 /nfs/dbraw/zinc/68/81/46/494688146.db2.gz JZFWZAKBFHCAAM-UHFFFAOYSA-N 1 2 354.406 3.353 40 0 biogenic,in-vitro FGABLO Fc1cccnc1OC[C@@H]1Cn2cncc2C[N@H+](Cc2cccs2)C1 ZINC000096209352 495006648 /nfs/dbraw/zinc/00/66/48/495006648.db2.gz RATRVXZSAAGSGS-AWEZNQCLSA-N 1 2 358.442 3.190 40 0 FGABLO Fc1cccnc1OC[C@@H]1Cn2cncc2C[N@@H+](Cc2cccs2)C1 ZINC000096209352 495006650 /nfs/dbraw/zinc/00/66/50/495006650.db2.gz RATRVXZSAAGSGS-AWEZNQCLSA-N 1 2 358.442 3.190 40 0 FGABLO Fc1cccnc1OC[C@@H]1Cn2c[nH+]cc2CN(Cc2cccs2)C1 ZINC000096209352 495006653 /nfs/dbraw/zinc/00/66/53/495006653.db2.gz RATRVXZSAAGSGS-AWEZNQCLSA-N 1 2 358.442 3.190 40 0 FGABLO CC(C)COC[C@H]1Cn2c[nH+]cc2CN(C(=O)/C=C/c2cccs2)C1 ZINC000096218620 495007986 /nfs/dbraw/zinc/00/79/86/495007986.db2.gz LTFXFAMXTRSIRB-SQRWCISFSA-N 1 2 359.495 3.289 40 0 FGABLO Fc1cccnc1OCC[C@@H]1CCOC2(C[NH+](Cc3ccccn3)C2)C1 ZINC000247519638 496879368 /nfs/dbraw/zinc/87/93/68/496879368.db2.gz KZTHGQGNMILVFF-MRXNPFEDSA-N 1 2 357.429 3.066 40 0 FGABLO COc1ncccc1C[NH+]1CC2(C1)C[C@@H](OCc1cccc(C)n1)CS2 ZINC000247871032 496923095 /nfs/dbraw/zinc/92/30/95/496923095.db2.gz LFVHTPOSOZWZJB-GOSISDBHSA-N 1 2 371.506 3.070 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3cncn3[C@H](COCc3ccncc3)C2)s1 ZINC000248082092 496953332 /nfs/dbraw/zinc/95/33/32/496953332.db2.gz JEEOHUOBEDNMMU-SFHVURJKSA-N 1 2 354.479 3.422 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3cncn3[C@H](COCc3ccncc3)C2)s1 ZINC000248082092 496953337 /nfs/dbraw/zinc/95/33/37/496953337.db2.gz JEEOHUOBEDNMMU-SFHVURJKSA-N 1 2 354.479 3.422 40 0 FGABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2CCOCc1ccncc1 ZINC000248148313 496964599 /nfs/dbraw/zinc/96/45/99/496964599.db2.gz UKJJXXZFIBZXEC-FQEVSTJZSA-N 1 2 368.477 3.288 40 0 FGABLO Cc1nc(C)c(CC(=O)N2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)s1 ZINC000257343151 497404944 /nfs/dbraw/zinc/40/49/44/497404944.db2.gz ZRRZJKAYWIYMJY-MRXNPFEDSA-N 1 2 352.463 3.283 40 0 FGABLO Cc1ccccc1CC(=O)N1CC[C@@]2(Cc3[nH+]cc(-c4cccnc4)n3C2)C1 ZINC000306141091 498743551 /nfs/dbraw/zinc/74/35/51/498743551.db2.gz VLCKMNFDMBZLHO-HSZRJFAPSA-N 1 2 372.472 3.271 40 0 FGABLO Fc1ccc(COc2cccc(C(=S)NCC[NH+]3CCOCC3)c2)cc1 ZINC000408574321 499592475 /nfs/dbraw/zinc/59/24/75/499592475.db2.gz LVUJRCUJFBOVDP-UHFFFAOYSA-N 1 2 374.481 3.002 40 0 FGABLO Cc1ccoc1C(=O)N1CCn2c(CCOCC3CCC3)c[nH+]c2[C@@H]1C ZINC000585098592 507566266 /nfs/dbraw/zinc/56/62/66/507566266.db2.gz VDVIQAVALOZTTN-HNNXBMFYSA-N 1 2 357.454 3.361 40 0 FGABLO Cc1ccccc1C[N@H+]1Cc2ccnn2[C@@H](CCNC(=O)c2ccco2)C1 ZINC000585111850 507577145 /nfs/dbraw/zinc/57/71/45/507577145.db2.gz CVKQFWGCTAZKOC-SFHVURJKSA-N 1 2 364.449 3.162 40 0 FGABLO Cc1ccccc1C[N@@H+]1Cc2ccnn2[C@@H](CCNC(=O)c2ccco2)C1 ZINC000585111850 507577152 /nfs/dbraw/zinc/57/71/52/507577152.db2.gz CVKQFWGCTAZKOC-SFHVURJKSA-N 1 2 364.449 3.162 40 0 FGABLO Cc1[nH]ncc1C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000103345940 571151343 /nfs/dbraw/zinc/15/13/43/571151343.db2.gz HDGTZOPTTLHZRO-GOSISDBHSA-N 1 2 362.905 3.313 40 0 FGABLO CC(C)n1nc(CNc2ncccn2)c2c1C[N@H+](Cc1ccco1)CC2 ZINC000096255955 209145383 /nfs/dbraw/zinc/14/53/83/209145383.db2.gz NKNLYTVIFYSCFZ-UHFFFAOYSA-N 1 2 352.442 3.017 40 0 FGABLO CC(C)n1nc(CNc2ncccn2)c2c1C[N@@H+](Cc1ccco1)CC2 ZINC000096255955 209145385 /nfs/dbraw/zinc/14/53/85/209145385.db2.gz NKNLYTVIFYSCFZ-UHFFFAOYSA-N 1 2 352.442 3.017 40 0 FGABLO CCc1ccc(CN2CCc3[nH+]c(N4CCCC4)nc(NC4CC4)c3C2)o1 ZINC000096254109 209146199 /nfs/dbraw/zinc/14/61/99/209146199.db2.gz ZYKUTOOMWSDTCJ-UHFFFAOYSA-N 1 2 367.497 3.365 40 0 FGABLO CCc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)nc(NC4CC4)c3C2)o1 ZINC000096254109 209146202 /nfs/dbraw/zinc/14/62/02/209146202.db2.gz ZYKUTOOMWSDTCJ-UHFFFAOYSA-N 1 2 367.497 3.365 40 0 FGABLO CCc1ccc(C[N@H+]2CCc3nc(N4CCCC4)nc(NC4CC4)c3C2)o1 ZINC000096254109 209146204 /nfs/dbraw/zinc/14/62/04/209146204.db2.gz ZYKUTOOMWSDTCJ-UHFFFAOYSA-N 1 2 367.497 3.365 40 0 FGABLO c1coc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)c1 ZINC000035425746 207163865 /nfs/dbraw/zinc/16/38/65/207163865.db2.gz PLRXMMAXYJLPBL-INIZCTEOSA-N 1 2 362.393 3.247 40 0 biogenic,in-vitro FGABLO c1coc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)c1 ZINC000035425746 207163869 /nfs/dbraw/zinc/16/38/69/207163869.db2.gz PLRXMMAXYJLPBL-INIZCTEOSA-N 1 2 362.393 3.247 40 0 biogenic,in-vitro FGABLO CCOC(=O)c1n[nH]cc1-c1c[nH+]cn1[C@H](c1ccc(OC)cc1)C1CC1 ZINC000019719696 207706240 /nfs/dbraw/zinc/70/62/40/207706240.db2.gz LVHVJNXTBHXTTA-IBGZPJMESA-N 1 2 366.421 3.458 40 0 FGABLO O=C(Nc1ccccc1)C1CC[NH+](Cc2nncn2C2CCCC2)CC1 ZINC000075164209 208193997 /nfs/dbraw/zinc/19/39/97/208193997.db2.gz KUOIEUSNAWTKPJ-UHFFFAOYSA-N 1 2 353.470 3.244 40 0 FGABLO O=C(N[C@H]1CCCc2ccccc21)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044901125 208320674 /nfs/dbraw/zinc/32/06/74/208320674.db2.gz WOZHPUBOYHZQJK-NRFANRHFSA-N 1 2 350.462 3.326 40 0 FGABLO CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000044933860 208322488 /nfs/dbraw/zinc/32/24/88/208322488.db2.gz LEKVOLZNGZUPSC-QGZVFWFLSA-N 1 2 368.477 3.409 40 0 FGABLO COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000060604625 493947440 /nfs/dbraw/zinc/94/74/40/493947440.db2.gz GUSRXOZRZXEMMP-HNNXBMFYSA-N 1 2 365.433 3.440 40 0 FGABLO Cc1cc(Oc2ccc(F)cc2)nc([C@@H]2CC[N@@H+](Cc3nccn3C)C2)n1 ZINC000072384184 494162280 /nfs/dbraw/zinc/16/22/80/494162280.db2.gz ULUDPGWXVIEGNJ-OAHLLOKOSA-N 1 2 367.428 3.439 40 0 FGABLO Cc1cc(Oc2ccc(F)cc2)nc([C@@H]2CC[N@H+](Cc3nccn3C)C2)n1 ZINC000072384184 494162283 /nfs/dbraw/zinc/16/22/83/494162283.db2.gz ULUDPGWXVIEGNJ-OAHLLOKOSA-N 1 2 367.428 3.439 40 0 FGABLO O=C(NCCCn1cc[nH+]c1)c1ncoc1-c1ccccc1C(F)(F)F ZINC000012115183 494205068 /nfs/dbraw/zinc/20/50/68/494205068.db2.gz HDTZTSYGAIKGGD-UHFFFAOYSA-N 1 2 364.327 3.377 40 0 FGABLO Cc1csc2c1nc1n(c2=O)CC[N@@H+](Cc2ccccc2Cl)CC1 ZINC000019240330 494439841 /nfs/dbraw/zinc/43/98/41/494439841.db2.gz NAAYYYNKDGQNHG-UHFFFAOYSA-N 1 2 359.882 3.478 40 0 FGABLO Cc1csc2c1nc1n(c2=O)CC[N@H+](Cc2ccccc2Cl)CC1 ZINC000019240330 494439846 /nfs/dbraw/zinc/43/98/46/494439846.db2.gz NAAYYYNKDGQNHG-UHFFFAOYSA-N 1 2 359.882 3.478 40 0 FGABLO Fc1ccc(F)c(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)c1 ZINC000019338570 494442105 /nfs/dbraw/zinc/44/21/05/494442105.db2.gz LIUKNUSGOXITTD-UHFFFAOYSA-N 1 2 361.436 3.084 40 0 FGABLO Fc1ccc(F)c(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)c1 ZINC000019338570 494442109 /nfs/dbraw/zinc/44/21/09/494442109.db2.gz LIUKNUSGOXITTD-UHFFFAOYSA-N 1 2 361.436 3.084 40 0 FGABLO c1ccc(CN2C[NH+]=C(Nc3ncccn3)N(Cc3ccccc3)C2)cc1 ZINC000021005801 494484978 /nfs/dbraw/zinc/48/49/78/494484978.db2.gz VLKSLLHRQHDWMM-UHFFFAOYSA-N 1 2 358.449 3.178 40 0 FGABLO Cc1ccc(-c2nc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)cs2)n1C ZINC000157244230 496436719 /nfs/dbraw/zinc/43/67/19/496436719.db2.gz ZUXNHVYSADUHNH-UHFFFAOYSA-N 1 2 373.507 3.154 40 0 FGABLO Cc1ccc(-c2nc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)cs2)n1C ZINC000157244230 496436725 /nfs/dbraw/zinc/43/67/25/496436725.db2.gz ZUXNHVYSADUHNH-UHFFFAOYSA-N 1 2 373.507 3.154 40 0 FGABLO c1ccc(OC[C@H]2CCOC23C[NH+](Cc2ccc4ccccc4n2)C3)nc1 ZINC000248337900 496981162 /nfs/dbraw/zinc/98/11/62/496981162.db2.gz QOVRZNYWNHFDGD-GOSISDBHSA-N 1 2 361.445 3.300 40 0 FGABLO Cc1cnc([C@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)C2)s1 ZINC000257201256 497389560 /nfs/dbraw/zinc/38/95/60/497389560.db2.gz AGWZOCQDJUPYTK-HNNXBMFYSA-N 1 2 353.451 3.052 40 0 FGABLO Cc1[nH+]cc(-c2cncc(CC3CCN(C(=O)C(C)(C)C)CC3)n2)n1C ZINC000257268289 497398371 /nfs/dbraw/zinc/39/83/71/497398371.db2.gz MLAHFSMBDNAYCV-UHFFFAOYSA-N 1 2 355.486 3.013 40 0 FGABLO Cc1cccc2nc(C(=O)N3Cc4[nH+]ccn4C[C@@H]3c3ccccc3)cn21 ZINC000257278075 497398402 /nfs/dbraw/zinc/39/84/02/497398402.db2.gz OARNGGJALLPXNQ-GOSISDBHSA-N 1 2 357.417 3.237 40 0 FGABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)Cc2cccs2)cc1 ZINC000257295653 497401261 /nfs/dbraw/zinc/40/12/61/497401261.db2.gz QZHWXOOGQOMTNC-KRWDZBQOSA-N 1 2 353.447 3.279 40 0 FGABLO Cc1[nH+]cc(-c2nccnc2C2CCN(C(=O)c3ccccc3)CC2)n1C ZINC000257324771 497403595 /nfs/dbraw/zinc/40/35/95/497403595.db2.gz WQCDVFOMRXGHLE-UHFFFAOYSA-N 1 2 361.449 3.205 40 0 FGABLO Clc1ccccc1CNc1cc(-c2ccncc2)[nH+]c(NC2CC2)n1 ZINC000328966507 499001085 /nfs/dbraw/zinc/00/10/85/499001085.db2.gz CLSLSANZENZQEQ-UHFFFAOYSA-N 1 2 351.841 3.222 40 0 FGABLO c1ccc(-c2cc(NCCc3ccccn3)nc(NC3CCCC3)[nH+]2)cc1 ZINC000329066023 499031859 /nfs/dbraw/zinc/03/18/59/499031859.db2.gz XWIMXEIDXYMVHS-UHFFFAOYSA-N 1 2 359.477 3.392 40 0 FGABLO Cc1cc(C)cc(C[N@H+]2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)c1 ZINC000585111861 507576950 /nfs/dbraw/zinc/57/69/50/507576950.db2.gz DBABSLYIXWPZIW-FQEVSTJZSA-N 1 2 352.482 3.069 40 0 FGABLO Cc1cc(C)cc(C[N@@H+]2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)c1 ZINC000585111861 507576959 /nfs/dbraw/zinc/57/69/59/507576959.db2.gz DBABSLYIXWPZIW-FQEVSTJZSA-N 1 2 352.482 3.069 40 0 FGABLO Cc1cccc(Nc2cc([C@@H]3CCC[N@H+](Cc4cnc[nH]4)C3)nc(C)n2)n1 ZINC000257343790 210004206 /nfs/dbraw/zinc/00/42/06/210004206.db2.gz ZUKSYJJAQHOMGL-MRXNPFEDSA-N 1 2 363.469 3.335 40 0 FGABLO Cc1cccc(Nc2cc([C@@H]3CCC[N@@H+](Cc4cnc[nH]4)C3)nc(C)n2)n1 ZINC000257343790 210004213 /nfs/dbraw/zinc/00/42/13/210004213.db2.gz ZUKSYJJAQHOMGL-MRXNPFEDSA-N 1 2 363.469 3.335 40 0 FGABLO Cc1ccc(S(=O)(=O)N[C@@]([NH3+])(Cc2ccccc2)c2ccccc2)cc1 ZINC000114264113 209340104 /nfs/dbraw/zinc/34/01/04/209340104.db2.gz DPFVPHYAZLRQQZ-NRFANRHFSA-N 1 2 366.486 3.328 40 0 FGABLO Fc1cccnc1OC[C@H]1Cn2cncc2C[N@H+](Cc2cccs2)C1 ZINC000096209353 209136786 /nfs/dbraw/zinc/13/67/86/209136786.db2.gz RATRVXZSAAGSGS-CQSZACIVSA-N 1 2 358.442 3.190 40 0 FGABLO Fc1cccnc1OC[C@H]1Cn2cncc2C[N@@H+](Cc2cccs2)C1 ZINC000096209353 209136790 /nfs/dbraw/zinc/13/67/90/209136790.db2.gz RATRVXZSAAGSGS-CQSZACIVSA-N 1 2 358.442 3.190 40 0 FGABLO Fc1cccnc1OC[C@H]1Cn2c[nH+]cc2CN(Cc2cccs2)C1 ZINC000096209353 209136792 /nfs/dbraw/zinc/13/67/92/209136792.db2.gz RATRVXZSAAGSGS-CQSZACIVSA-N 1 2 358.442 3.190 40 0 FGABLO CCn1cncc1C[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H]1CCCO1 ZINC000012116797 207339972 /nfs/dbraw/zinc/33/99/72/207339972.db2.gz VZYRJOBWVVNSHD-GOSISDBHSA-N 1 2 359.470 3.101 40 0 FGABLO CCn1cncc1C[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H]1CCCO1 ZINC000012116797 207339975 /nfs/dbraw/zinc/33/99/75/207339975.db2.gz VZYRJOBWVVNSHD-GOSISDBHSA-N 1 2 359.470 3.101 40 0 FGABLO Cc1cccc(CC(=O)N2Cc3ccccc3OC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000012128263 207340585 /nfs/dbraw/zinc/34/05/85/207340585.db2.gz ASEQMSSEIHYRPY-FQEVSTJZSA-N 1 2 361.445 3.224 40 0 FGABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](Cc4ccccc4OC)C3)[nH]n2c1=O ZINC000012276408 207354376 /nfs/dbraw/zinc/35/43/76/207354376.db2.gz RFYPVCZSNDIYNF-HNNXBMFYSA-N 1 2 366.465 3.304 40 0 FGABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4ccccc4OC)C3)[nH]n2c1=O ZINC000012276408 207354378 /nfs/dbraw/zinc/35/43/78/207354378.db2.gz RFYPVCZSNDIYNF-HNNXBMFYSA-N 1 2 366.465 3.304 40 0 FGABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](Cc4ccc(F)cc4)C3)[nH]n2c1=O ZINC000012276386 207354526 /nfs/dbraw/zinc/35/45/26/207354526.db2.gz UIBKCHKBKJQITB-OAHLLOKOSA-N 1 2 354.429 3.434 40 0 FGABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)[nH]n2c1=O ZINC000012276386 207354530 /nfs/dbraw/zinc/35/45/30/207354530.db2.gz UIBKCHKBKJQITB-OAHLLOKOSA-N 1 2 354.429 3.434 40 0 FGABLO FC1(F)CC[N@H+](Cc2nccs2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096051128 209103313 /nfs/dbraw/zinc/10/33/13/209103313.db2.gz VESXEXIFJAOWFU-MRXNPFEDSA-N 1 2 350.438 3.276 40 0 FGABLO FC1(F)CC[N@@H+](Cc2nccs2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096051128 209103316 /nfs/dbraw/zinc/10/33/16/209103316.db2.gz VESXEXIFJAOWFU-MRXNPFEDSA-N 1 2 350.438 3.276 40 0 FGABLO Cc1cc(N2CCO[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)nc[nH+]1 ZINC000257315055 132297290 /nfs/dbraw/zinc/29/72/90/132297290.db2.gz UZSOIFJPIKMGFW-QGZVFWFLSA-N 1 2 354.385 3.081 40 0 FGABLO COc1ccc(Oc2nccnc2C2CC[NH+](Cc3ncc[nH]3)CC2)cc1 ZINC000072362990 494158341 /nfs/dbraw/zinc/15/83/41/494158341.db2.gz DSTVWSWAYJAFBX-UHFFFAOYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1ccc(Oc2nccnc2C2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000072362990 494158344 /nfs/dbraw/zinc/15/83/44/494158344.db2.gz DSTVWSWAYJAFBX-UHFFFAOYSA-N 1 2 365.437 3.380 40 0 FGABLO Fc1ccc(OCCc2cc([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)n[nH]2)cc1F ZINC000072371674 494159266 /nfs/dbraw/zinc/15/92/66/494159266.db2.gz RRRBEHANOQSEKW-ZDUSSCGKSA-N 1 2 373.407 3.022 40 0 FGABLO Fc1ccc(OCCc2cc([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)n[nH]2)cc1F ZINC000072371674 494159272 /nfs/dbraw/zinc/15/92/72/494159272.db2.gz RRRBEHANOQSEKW-ZDUSSCGKSA-N 1 2 373.407 3.022 40 0 FGABLO CC(=O)N1CCn2c(nnc2[C@H]2CCCC[N@@H+]2Cc2ccccc2Cl)C1 ZINC000072374021 494160092 /nfs/dbraw/zinc/16/00/92/494160092.db2.gz QZLRKLOKMKDEGC-QGZVFWFLSA-N 1 2 373.888 3.021 40 0 FGABLO CC(=O)N1CCn2c(nnc2[C@H]2CCCC[N@H+]2Cc2ccccc2Cl)C1 ZINC000072374021 494160093 /nfs/dbraw/zinc/16/00/93/494160093.db2.gz QZLRKLOKMKDEGC-QGZVFWFLSA-N 1 2 373.888 3.021 40 0 FGABLO O=C(C[N@H+]1CCC[C@@H]1c1n[nH]cc1-c1ccc(F)cc1)N1CCCCC1 ZINC000072380262 494160647 /nfs/dbraw/zinc/16/06/47/494160647.db2.gz YOAPPPWZVWMKJR-GOSISDBHSA-N 1 2 356.445 3.365 40 0 FGABLO O=C(C[N@@H+]1CCC[C@@H]1c1n[nH]cc1-c1ccc(F)cc1)N1CCCCC1 ZINC000072380262 494160653 /nfs/dbraw/zinc/16/06/53/494160653.db2.gz YOAPPPWZVWMKJR-GOSISDBHSA-N 1 2 356.445 3.365 40 0 FGABLO O=C(C[N@H+]1CCC[C@@H]1c1[nH]ncc1-c1ccc(F)cc1)N1CCCCC1 ZINC000072380262 494160657 /nfs/dbraw/zinc/16/06/57/494160657.db2.gz YOAPPPWZVWMKJR-GOSISDBHSA-N 1 2 356.445 3.365 40 0 FGABLO O=C(C[N@@H+]1CCC[C@@H]1c1[nH]ncc1-c1ccc(F)cc1)N1CCCCC1 ZINC000072380262 494160663 /nfs/dbraw/zinc/16/06/63/494160663.db2.gz YOAPPPWZVWMKJR-GOSISDBHSA-N 1 2 356.445 3.365 40 0 FGABLO Cc1cnc(Nc2nccc([C@@H]3CCCCN3Cc3[nH]cc[nH+]3)n2)s1 ZINC000072378061 494161133 /nfs/dbraw/zinc/16/11/33/494161133.db2.gz BGLIBGXHOIRUAM-AWEZNQCLSA-N 1 2 355.471 3.435 40 0 FGABLO Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378605 494161219 /nfs/dbraw/zinc/16/12/19/494161219.db2.gz NBXKRHLOZBJLHP-AWEZNQCLSA-N 1 2 353.451 3.052 40 0 FGABLO Cc1ccc(C[N@H+](CCNC(=O)c2cccs2)Cc2ccccn2)o1 ZINC000013991077 494299535 /nfs/dbraw/zinc/29/95/35/494299535.db2.gz PEHSODVKDXSCDP-UHFFFAOYSA-N 1 2 355.463 3.477 40 0 FGABLO Cc1ccc(C[N@@H+](CCNC(=O)c2cccs2)Cc2ccccn2)o1 ZINC000013991077 494299540 /nfs/dbraw/zinc/29/95/40/494299540.db2.gz PEHSODVKDXSCDP-UHFFFAOYSA-N 1 2 355.463 3.477 40 0 FGABLO c1csc(-c2nc(NCC[NH+]3CCOCC3)ncc2-c2ccncc2)c1 ZINC000019343956 494442638 /nfs/dbraw/zinc/44/26/38/494442638.db2.gz GQNTVGULCSLLBL-UHFFFAOYSA-N 1 2 367.478 3.011 40 0 FGABLO C[C@H]1CCCN(c2ncc(-c3c[nH+]cn3CCCC(C)(C)CO)cn2)C1 ZINC000019720003 494459099 /nfs/dbraw/zinc/45/90/99/494459099.db2.gz IIRMCPVWHHFZOW-INIZCTEOSA-N 1 2 357.502 3.375 40 0 FGABLO c1cc(OC2CCCC2)ccc1CN1CCC[C@@H]1c1nnc2n1CC[NH2+]C2 ZINC000019767394 494459722 /nfs/dbraw/zinc/45/97/22/494459722.db2.gz ULVLMZYNURDWCF-LJQANCHMSA-N 1 2 367.497 3.040 40 0 FGABLO COc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3CCOCc2ccncc2)cc1 ZINC000247870345 496923732 /nfs/dbraw/zinc/92/37/32/496923732.db2.gz CWXVBHVYZNQASZ-FQEVSTJZSA-N 1 2 368.477 3.288 40 0 FGABLO COC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000211263725 496976134 /nfs/dbraw/zinc/97/61/34/496976134.db2.gz BEUCIMOVQKLABT-CMDGGOBGSA-N 1 2 356.447 3.175 40 0 FGABLO COC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000211263725 496976140 /nfs/dbraw/zinc/97/61/40/496976140.db2.gz BEUCIMOVQKLABT-CMDGGOBGSA-N 1 2 356.447 3.175 40 0 FGABLO c1ccc(O[C@H]2CCOC3(C[NH+](Cc4ccc5ccccc5n4)C3)C2)nc1 ZINC000248339568 496980588 /nfs/dbraw/zinc/98/05/88/496980588.db2.gz TVVYIXJJRXMFPR-IBGZPJMESA-N 1 2 361.445 3.442 40 0 FGABLO Cc1cc(C)c(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000225642146 497069546 /nfs/dbraw/zinc/06/95/46/497069546.db2.gz CVNOUURETCJMLZ-UHFFFAOYSA-N 1 2 366.461 3.299 40 0 FGABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](CCOc1cncc(C)n1)CCO2 ZINC000253601106 497345045 /nfs/dbraw/zinc/34/50/45/497345045.db2.gz JLONACZDUUKBNK-MRXNPFEDSA-N 1 2 374.510 3.000 40 0 FGABLO COc1cccc(Oc2cncc([C@@H]3CCC[N@H+](Cc4c[nH]cn4)C3)n2)c1 ZINC000257217942 497391581 /nfs/dbraw/zinc/39/15/81/497391581.db2.gz DBFJJIYIKJUZLV-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2cncc([C@@H]3CCC[N@@H+](Cc4c[nH]cn4)C3)n2)c1 ZINC000257217942 497391586 /nfs/dbraw/zinc/39/15/86/497391586.db2.gz DBFJJIYIKJUZLV-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2cncc([C@@H]3CCC[N@H+](Cc4cnc[nH]4)C3)n2)c1 ZINC000257217942 497391591 /nfs/dbraw/zinc/39/15/91/497391591.db2.gz DBFJJIYIKJUZLV-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2cncc([C@@H]3CCC[N@@H+](Cc4cnc[nH]4)C3)n2)c1 ZINC000257217942 497391596 /nfs/dbraw/zinc/39/15/96/497391596.db2.gz DBFJJIYIKJUZLV-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO Cc1ccccc1Cc1cccc([C@@H]2C[N@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257248527 497394470 /nfs/dbraw/zinc/39/44/70/497394470.db2.gz JEAVQUSCJILFNY-QFIPXVFZSA-N 1 2 362.477 3.288 40 0 FGABLO Cc1ccccc1Cc1cccc([C@@H]2C[N@@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257248527 497394475 /nfs/dbraw/zinc/39/44/75/497394475.db2.gz JEAVQUSCJILFNY-QFIPXVFZSA-N 1 2 362.477 3.288 40 0 FGABLO O=C(CC1CCCC1)N1CCC[C@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257271935 497397714 /nfs/dbraw/zinc/39/77/14/497397714.db2.gz NAKATUYQKAEHNQ-FQEVSTJZSA-N 1 2 357.498 3.158 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCOCc3cccnc3)C2)o1 ZINC000306123286 498736122 /nfs/dbraw/zinc/73/61/22/498736122.db2.gz AJDWTSZPXHRFKY-IBGZPJMESA-N 1 2 352.438 3.343 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCOCc3cccnc3)C2)o1 ZINC000306123286 498736128 /nfs/dbraw/zinc/73/61/28/498736128.db2.gz AJDWTSZPXHRFKY-IBGZPJMESA-N 1 2 352.438 3.343 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000306133002 498739303 /nfs/dbraw/zinc/73/93/03/498739303.db2.gz LYOOVKVCNJYMBU-MJGOQNOKSA-N 1 2 355.415 3.295 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000306133002 498739310 /nfs/dbraw/zinc/73/93/10/498739310.db2.gz LYOOVKVCNJYMBU-MJGOQNOKSA-N 1 2 355.415 3.295 40 0 FGABLO CSc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329013115 499014148 /nfs/dbraw/zinc/01/41/48/499014148.db2.gz MOYNWEBVHGZSPI-AWEZNQCLSA-N 1 2 366.490 3.246 40 0 FGABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(O)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329038643 499022456 /nfs/dbraw/zinc/02/24/56/499022456.db2.gz RTTGOISJSXHDHN-INIZCTEOSA-N 1 2 362.861 3.307 40 0 FGABLO C[C@@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329057801 499029385 /nfs/dbraw/zinc/02/93/85/499029385.db2.gz VZONBIHRFKOBKK-AWEZNQCLSA-N 1 2 368.868 3.046 40 0 FGABLO O=C(c1nc2c(o1)CC[N@H+](CC1CCCC1)C2)N1CCC(F)(F)CC1 ZINC000585112821 507576886 /nfs/dbraw/zinc/57/68/86/507576886.db2.gz VRAQFNLFRYMZLI-UHFFFAOYSA-N 1 2 353.413 3.094 40 0 FGABLO O=C(c1nc2c(o1)CC[N@@H+](CC1CCCC1)C2)N1CCC(F)(F)CC1 ZINC000585112821 507576893 /nfs/dbraw/zinc/57/68/93/507576893.db2.gz VRAQFNLFRYMZLI-UHFFFAOYSA-N 1 2 353.413 3.094 40 0 FGABLO O=C(NCCCn1cc[nH+]c1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020494570 526291947 /nfs/dbraw/zinc/29/19/47/526291947.db2.gz IDIXNKISRCDVPZ-UHFFFAOYSA-N 1 2 360.461 3.266 40 0 FGABLO CC(C)[C@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057669602 535169258 /nfs/dbraw/zinc/16/92/58/535169258.db2.gz LAIXFNCNRIFIOY-LJQANCHMSA-N 1 2 372.492 3.447 40 0 FGABLO Cc1ccc[nH+]c1Nc1ccc([C@@H]2CN(C(=O)C(C)(C)C)CCO2)nc1 ZINC000257343474 210004179 /nfs/dbraw/zinc/00/41/79/210004179.db2.gz ZTEJGODKVGSTNL-KRWDZBQOSA-N 1 2 354.454 3.475 40 0 FGABLO O=C(c1cnn(-c2ccccc2)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000138270042 209377127 /nfs/dbraw/zinc/37/71/27/209377127.db2.gz XNVHJSTVBSFNJZ-JXMROGBWSA-N 1 2 372.472 3.344 40 0 FGABLO CCOC[C@H]1C[N@H+](Cc2ccoc2)Cc2cnn(CC3CCOCC3)c21 ZINC000103948423 209256428 /nfs/dbraw/zinc/25/64/28/209256428.db2.gz OKYLUMAYNHJQJR-LJQANCHMSA-N 1 2 359.470 3.039 40 0 FGABLO CCOC[C@H]1C[N@@H+](Cc2ccoc2)Cc2cnn(CC3CCOCC3)c21 ZINC000103948423 209256430 /nfs/dbraw/zinc/25/64/30/209256430.db2.gz OKYLUMAYNHJQJR-LJQANCHMSA-N 1 2 359.470 3.039 40 0 FGABLO O=C(/C=C/c1cccs1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC000096206905 209133936 /nfs/dbraw/zinc/13/39/36/209133936.db2.gz NUKZBGLBVITNQN-JFDDCEBESA-N 1 2 357.479 3.043 40 0 FGABLO Cn1cc[nH+]c1CN1[C@@H]2CC[C@H]1Cc1c2cnc2cc(C(C)(C)C)nn21 ZINC000012087418 207336445 /nfs/dbraw/zinc/33/64/45/207336445.db2.gz QINLSMGFAFEKLJ-DZGCQCFKSA-N 1 2 350.470 3.022 40 0 FGABLO CCOC[C@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2ncn(CC3CC3)c21 ZINC000096060321 209103930 /nfs/dbraw/zinc/10/39/30/209103930.db2.gz UXUXXPGRMKPOBF-GOSISDBHSA-N 1 2 355.482 3.438 40 0 FGABLO CCOC[C@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2ncn(CC3CC3)c21 ZINC000096060321 209103933 /nfs/dbraw/zinc/10/39/33/209103933.db2.gz UXUXXPGRMKPOBF-GOSISDBHSA-N 1 2 355.482 3.438 40 0 FGABLO Cc1nc(N2CCC[C@@H](c3cccc(C(=O)Nc4ccccn4)n3)C2)cc[nH+]1 ZINC000257237569 132295317 /nfs/dbraw/zinc/29/53/17/132295317.db2.gz HHCHFZFCYFZHSI-MRXNPFEDSA-N 1 2 374.448 3.211 40 0 FGABLO COc1cc2c(c(OC)c1OC)C[C@H]1c3c(cc4c(c3-2)OCO4)CC[N@H+]1C ZINC000001570451 493797043 /nfs/dbraw/zinc/79/70/43/493797043.db2.gz SQAYCDKOCYEIQZ-AWEZNQCLSA-N 1 2 369.417 3.193 40 0 FGABLO COc1cc2c(c(OC)c1OC)C[C@H]1c3c(cc4c(c3-2)OCO4)CC[N@@H+]1C ZINC000001570451 493797045 /nfs/dbraw/zinc/79/70/45/493797045.db2.gz SQAYCDKOCYEIQZ-AWEZNQCLSA-N 1 2 369.417 3.193 40 0 FGABLO COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[N@H+](C)C2 ZINC000004223466 493869396 /nfs/dbraw/zinc/86/93/96/493869396.db2.gz ULZKGOPSJXWUOI-UHFFFAOYSA-N 1 2 364.854 3.428 40 0 FGABLO COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[N@@H+](C)C2 ZINC000004223466 493869399 /nfs/dbraw/zinc/86/93/99/493869399.db2.gz ULZKGOPSJXWUOI-UHFFFAOYSA-N 1 2 364.854 3.428 40 0 FGABLO Cc1nc2ccc(C)cn2c1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000071468809 494093398 /nfs/dbraw/zinc/09/33/98/494093398.db2.gz BBQZDIPGSVKEBR-RMKNXTFCSA-N 1 2 374.488 3.422 40 0 FGABLO Cc1nc(Nc2nncs2)cc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072360212 494158715 /nfs/dbraw/zinc/15/87/15/494158715.db2.gz OFBPODOPESRMCR-OAHLLOKOSA-N 1 2 353.455 3.112 40 0 FGABLO Cc1nc(Nc2nncs2)cc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072360212 494158718 /nfs/dbraw/zinc/15/87/18/494158718.db2.gz OFBPODOPESRMCR-OAHLLOKOSA-N 1 2 353.455 3.112 40 0 FGABLO c1csc(-c2nc(NCC[NH+]3CCOCC3)ncc2-c2ccccn2)c1 ZINC000019402694 494445097 /nfs/dbraw/zinc/44/50/97/494445097.db2.gz QFSAPHOKCDLAPJ-UHFFFAOYSA-N 1 2 367.478 3.011 40 0 FGABLO Cc1cc2[nH+]c(CC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)[nH]c2c(C)c1 ZINC000019568372 494450076 /nfs/dbraw/zinc/45/00/76/494450076.db2.gz ULXWTDOKYVMQQL-CQSZACIVSA-N 1 2 365.433 3.371 40 0 FGABLO Cc1c2ccccc2[nH]c1C[N@@H+]1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 ZINC000019565931 494450403 /nfs/dbraw/zinc/45/04/03/494450403.db2.gz XIVZMMVSPOCTJU-UHFFFAOYSA-N 1 2 371.444 3.180 40 0 FGABLO Cc1c2ccccc2[nH]c1C[N@H+]1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 ZINC000019565931 494450408 /nfs/dbraw/zinc/45/04/08/494450408.db2.gz XIVZMMVSPOCTJU-UHFFFAOYSA-N 1 2 371.444 3.180 40 0 FGABLO C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)CCc1ccccc1)C2 ZINC000019588902 494451212 /nfs/dbraw/zinc/45/12/12/494451212.db2.gz YIFSZSAUWYQNHQ-FQEVSTJZSA-N 1 2 364.493 3.151 40 0 FGABLO C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)CCc1ccccc1)C2 ZINC000019588902 494451215 /nfs/dbraw/zinc/45/12/15/494451215.db2.gz YIFSZSAUWYQNHQ-FQEVSTJZSA-N 1 2 364.493 3.151 40 0 FGABLO Cc1nc(N2CCCC2)cc(CC2CCN(C(=O)C3CCCC3)CC2)[nH+]1 ZINC000019754940 494459568 /nfs/dbraw/zinc/45/95/68/494459568.db2.gz PKNDUEURTAYEOX-UHFFFAOYSA-N 1 2 356.514 3.357 40 0 FGABLO COc1cc(-c2nnc([C@@H]([NH3+])c3ccc(Cl)cc3)[nH]2)cc(OC)c1OC ZINC000095533945 494989928 /nfs/dbraw/zinc/98/99/28/494989928.db2.gz FWJZAZIKYSTMCT-HNNXBMFYSA-N 1 2 374.828 3.199 40 0 FGABLO Cc1ccc(-c2noc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)n2)cc1 ZINC000223583021 497039456 /nfs/dbraw/zinc/03/94/56/497039456.db2.gz JZOFGFDSXTZELA-UHFFFAOYSA-N 1 2 373.416 3.220 40 0 FGABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc(N4CCCC4)cc3)C2)[nH+]1 ZINC000257199796 497389393 /nfs/dbraw/zinc/38/93/93/497389393.db2.gz AAVJWDFQAREZNJ-SFHVURJKSA-N 1 2 352.482 3.349 40 0 FGABLO Cc1ccc(NC(=O)c2cccc([C@H]3CCC[N@@H+]3Cc3cc[nH]n3)n2)nc1 ZINC000257218902 497391684 /nfs/dbraw/zinc/39/16/84/497391684.db2.gz DEUSVPXFAANOMV-GOSISDBHSA-N 1 2 362.437 3.098 40 0 FGABLO Cc1ccc(NC(=O)c2cccc([C@H]3CCC[N@H+]3Cc3cc[nH]n3)n2)nc1 ZINC000257218902 497391687 /nfs/dbraw/zinc/39/16/87/497391687.db2.gz DEUSVPXFAANOMV-GOSISDBHSA-N 1 2 362.437 3.098 40 0 FGABLO COc1cccc(Oc2nccnc2[C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)c1 ZINC000257240020 497393389 /nfs/dbraw/zinc/39/33/89/497393389.db2.gz HRSPKBAQIBVRSZ-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2nccnc2[C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)c1 ZINC000257240020 497393393 /nfs/dbraw/zinc/39/33/93/497393393.db2.gz HRSPKBAQIBVRSZ-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2nccnc2[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000257240020 497393396 /nfs/dbraw/zinc/39/33/96/497393396.db2.gz HRSPKBAQIBVRSZ-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2nccnc2[C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)c1 ZINC000257240020 497393400 /nfs/dbraw/zinc/39/34/00/497393400.db2.gz HRSPKBAQIBVRSZ-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1ccc(O)cc1 ZINC000261365987 497407576 /nfs/dbraw/zinc/40/75/76/497407576.db2.gz WTGFHFHJMSLBFA-KRWDZBQOSA-O 1 2 367.454 3.317 40 0 FGABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cccc(O)c1 ZINC000261365396 497407642 /nfs/dbraw/zinc/40/76/42/497407642.db2.gz RYHIJIOWXRYCNZ-QGZVFWFLSA-O 1 2 367.454 3.317 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000306137050 498740309 /nfs/dbraw/zinc/74/03/09/498740309.db2.gz QKEFWOYWYRAKRH-VQIMIIECSA-N 1 2 355.415 3.295 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000306137050 498740315 /nfs/dbraw/zinc/74/03/15/498740315.db2.gz QKEFWOYWYRAKRH-VQIMIIECSA-N 1 2 355.415 3.295 40 0 FGABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccco2)cc(-c2ccccc2)[nH+]1 ZINC000328976043 499004005 /nfs/dbraw/zinc/00/40/05/499004005.db2.gz FMYXVZMPBYKLRK-GOSISDBHSA-N 1 2 352.438 3.199 40 0 FGABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)c(Cl)c1 ZINC000328987692 499007694 /nfs/dbraw/zinc/00/76/94/499007694.db2.gz IEGDVWLPVQQFMO-CQSZACIVSA-N 1 2 368.868 3.486 40 0 FGABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)cc1Cl ZINC000329004844 499012213 /nfs/dbraw/zinc/01/22/13/499012213.db2.gz KUYRXIZDKVIXIB-CQSZACIVSA-N 1 2 368.868 3.486 40 0 FGABLO Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccc2)[nH+]c(NCCO)n1 ZINC000329010793 499014640 /nfs/dbraw/zinc/01/46/40/499014640.db2.gz MBTDWDMBOUUMCB-UHFFFAOYSA-N 1 2 368.868 3.405 40 0 FGABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(O)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329038644 499022955 /nfs/dbraw/zinc/02/29/55/499022955.db2.gz RTTGOISJSXHDHN-MRXNPFEDSA-N 1 2 362.861 3.307 40 0 FGABLO O=S(=O)(Cc1ccccc1Cl)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020456607 527197379 /nfs/dbraw/zinc/19/73/79/527197379.db2.gz GCMNLWZCHDIQFZ-UHFFFAOYSA-N 1 2 361.854 3.145 40 0 FGABLO COc1ccc([C@H](c2nnnn2C(C)(C)C)[NH+]2CCC(C)CC2)cc1OC ZINC000004847702 209426436 /nfs/dbraw/zinc/42/64/36/209426436.db2.gz GFOULOQNMKXRQX-GOSISDBHSA-N 1 2 373.501 3.267 40 0 FGABLO Cc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000038229593 208200605 /nfs/dbraw/zinc/20/06/05/208200605.db2.gz IZJADWIMILCBKW-UHFFFAOYSA-N 1 2 355.507 3.314 40 0 FGABLO c1ccc(COC[C@@H]2c3nnn(CC4CC4)c3CC[N@H+]2C2CCC2)cc1 ZINC000096045434 209100388 /nfs/dbraw/zinc/10/03/88/209100388.db2.gz WOPIUQNHHICIGB-HXUWFJFHSA-N 1 2 352.482 3.357 40 0 FGABLO c1ccc(COC[C@@H]2c3nnn(CC4CC4)c3CC[N@@H+]2C2CCC2)cc1 ZINC000096045434 209100383 /nfs/dbraw/zinc/10/03/83/209100383.db2.gz WOPIUQNHHICIGB-HXUWFJFHSA-N 1 2 352.482 3.357 40 0 FGABLO Cc1cc(CN2Cc3[nH+]cn(CC4CC4)c3[C@@H](COCC3CC3)C2)no1 ZINC000096045159 209100257 /nfs/dbraw/zinc/10/02/57/209100257.db2.gz LPJZVGBAOCIJCS-QGZVFWFLSA-N 1 2 356.470 3.116 40 0 FGABLO Cn1c[nH+]c2c1[C@@H](COCC1CCCC1)CN(C(=O)[C@@H]1CC=CCC1)C2 ZINC000096044971 209099901 /nfs/dbraw/zinc/09/99/01/209099901.db2.gz BCCFDKPLUCLHSN-QZTJIDSGSA-N 1 2 357.498 3.409 40 0 FGABLO Cc1nc([C@@]2(C)CCCN(c3cccc[nH+]3)C2)nc2c1CC(=O)N2C(C)C ZINC000257262050 132295888 /nfs/dbraw/zinc/29/58/88/132295888.db2.gz LJVMSRFKNWUGMM-NRFANRHFSA-N 1 2 365.481 3.036 40 0 FGABLO COc1ccc2nc(NC(=O)C[N@@H+]3CCc4ccccc4C3)sc2c1 ZINC000035999573 494083291 /nfs/dbraw/zinc/08/32/91/494083291.db2.gz MRKSLZQZBMMREF-UHFFFAOYSA-N 1 2 353.447 3.302 40 0 FGABLO COc1ccc2nc(NC(=O)C[N@H+]3CCc4ccccc4C3)sc2c1 ZINC000035999573 494083292 /nfs/dbraw/zinc/08/32/92/494083292.db2.gz MRKSLZQZBMMREF-UHFFFAOYSA-N 1 2 353.447 3.302 40 0 FGABLO O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216198 494144223 /nfs/dbraw/zinc/14/42/23/494144223.db2.gz YLALTUZCWJTQSC-LJQANCHMSA-N 1 2 351.450 3.286 40 0 FGABLO Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000072369437 494158478 /nfs/dbraw/zinc/15/84/78/494158478.db2.gz AOULDRPLDXCJTM-QGZVFWFLSA-N 1 2 356.470 3.091 40 0 FGABLO COc1cc(C)c(C[N@@H+]2CC[C@H](c3cc4nc(C)cc(=O)n4[nH]3)C2)cc1C ZINC000012757435 494255174 /nfs/dbraw/zinc/25/51/74/494255174.db2.gz JWLVMQGHELXIHN-INIZCTEOSA-N 1 2 366.465 3.358 40 0 FGABLO COc1cc(C)c(C[N@H+]2CC[C@H](c3cc4nc(C)cc(=O)n4[nH]3)C2)cc1C ZINC000012757435 494255179 /nfs/dbraw/zinc/25/51/79/494255179.db2.gz JWLVMQGHELXIHN-INIZCTEOSA-N 1 2 366.465 3.358 40 0 FGABLO O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)[N@H+](Cc2cc3ccccc3o2)C1 ZINC000015674519 494365166 /nfs/dbraw/zinc/36/51/66/494365166.db2.gz QEAMRLLQGPDQGO-WBVHZDCISA-N 1 2 362.389 3.186 40 0 biogenic,in-vitro FGABLO O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000015674519 494365172 /nfs/dbraw/zinc/36/51/72/494365172.db2.gz QEAMRLLQGPDQGO-WBVHZDCISA-N 1 2 362.389 3.186 40 0 biogenic,in-vitro FGABLO Cc1nc(C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)c2sccn12 ZINC000019240800 494439107 /nfs/dbraw/zinc/43/91/07/494439107.db2.gz ATPAWQZZEVLNJH-ZDUSSCGKSA-N 1 2 357.483 3.258 40 0 FGABLO Fc1ccc(CN(CCC[NH+]2CCOCC2)Cc2ccncc2)cc1F ZINC000019292823 494440948 /nfs/dbraw/zinc/44/09/48/494440948.db2.gz LRBWJEQZTDUPJJ-UHFFFAOYSA-N 1 2 361.436 3.084 40 0 FGABLO COc1ccc(-c2cc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)on2)cc1 ZINC000019660512 494454052 /nfs/dbraw/zinc/45/40/52/494454052.db2.gz RADISBBMTPISRQ-SFHVURJKSA-N 1 2 368.437 3.391 40 0 FGABLO CCN(CC)C(=O)c1cnc([C@H]2CCCC[N@@H+]2Cc2cccnc2)nc1C ZINC000019753722 494459579 /nfs/dbraw/zinc/45/95/79/494459579.db2.gz DZDIAQBZJFVGBR-LJQANCHMSA-N 1 2 367.497 3.389 40 0 FGABLO CCN(CC)C(=O)c1cnc([C@H]2CCCC[N@H+]2Cc2cccnc2)nc1C ZINC000019753722 494459581 /nfs/dbraw/zinc/45/95/81/494459581.db2.gz DZDIAQBZJFVGBR-LJQANCHMSA-N 1 2 367.497 3.389 40 0 FGABLO COc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000096112214 495001971 /nfs/dbraw/zinc/00/19/71/495001971.db2.gz ZKWHYXNVSBUGQC-APWZRJJASA-N 1 2 373.403 3.450 40 0 biogenic,in-vitro FGABLO COc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000096112214 495001973 /nfs/dbraw/zinc/00/19/73/495001973.db2.gz ZKWHYXNVSBUGQC-APWZRJJASA-N 1 2 373.403 3.450 40 0 biogenic,in-vitro FGABLO Cc1nc(COC[C@H]2CCOC23C[NH+](Cc2scnc2C)C3)cs1 ZINC000248040073 496946759 /nfs/dbraw/zinc/94/67/59/496946759.db2.gz ONBBLQNPHPSIKD-CQSZACIVSA-N 1 2 365.524 3.024 40 0 FGABLO Cc1nc(C2CC2)ncc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225792232 497074783 /nfs/dbraw/zinc/07/47/83/497074783.db2.gz WICHJRSDBRXXFH-VMPITWQZSA-N 1 2 362.477 3.134 40 0 FGABLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000257212874 497390461 /nfs/dbraw/zinc/39/04/61/497390461.db2.gz CFGZEIAULUEAMA-FQEVSTJZSA-N 1 2 352.413 3.195 40 0 FGABLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000257212874 497390465 /nfs/dbraw/zinc/39/04/65/497390465.db2.gz CFGZEIAULUEAMA-FQEVSTJZSA-N 1 2 352.413 3.195 40 0 FGABLO Cc1nnc(Nc2cc([C@@H]3CCCCN3Cc3[nH]cc[nH+]3)nc(C)n2)s1 ZINC000257284376 497398955 /nfs/dbraw/zinc/39/89/55/497398955.db2.gz PCLBSNDNCPMLGK-AWEZNQCLSA-N 1 2 370.486 3.139 40 0 FGABLO Cn1c[nH+]cc1CN1CCCC[C@H]1c1csc(Nc2cnccn2)n1 ZINC000257298235 497400869 /nfs/dbraw/zinc/40/08/69/497400869.db2.gz RKTZEMNGXQZEIQ-HNNXBMFYSA-N 1 2 355.471 3.137 40 0 FGABLO Cc1csc(Nc2cc(C)nc([C@@H]3CCC[N@H+](Cc4ncc[nH]4)C3)n2)n1 ZINC000257318160 497402351 /nfs/dbraw/zinc/40/23/51/497402351.db2.gz VMSQYOORCTXUDE-CQSZACIVSA-N 1 2 369.498 3.396 40 0 FGABLO Cc1csc(Nc2cc(C)nc([C@@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)n2)n1 ZINC000257318160 497402356 /nfs/dbraw/zinc/40/23/56/497402356.db2.gz VMSQYOORCTXUDE-CQSZACIVSA-N 1 2 369.498 3.396 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000306137048 498740585 /nfs/dbraw/zinc/74/05/85/498740585.db2.gz QKEFWOYWYRAKRH-LPHOPBHVSA-N 1 2 355.415 3.295 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000306137048 498740593 /nfs/dbraw/zinc/74/05/93/498740593.db2.gz QKEFWOYWYRAKRH-LPHOPBHVSA-N 1 2 355.415 3.295 40 0 FGABLO CC[C@@H](C)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329020365 499017055 /nfs/dbraw/zinc/01/70/55/499017055.db2.gz OBTYVENUMHBSJP-CYBMUJFWSA-N 1 2 369.419 3.483 40 0 FGABLO CC(C)[C@@H](CO)Nc1nc(NCc2cccs2)cc(-c2ccncc2)[nH+]1 ZINC000329023892 499018952 /nfs/dbraw/zinc/01/89/52/499018952.db2.gz OVZBGXHUPRHVPL-QGZVFWFLSA-N 1 2 369.494 3.063 40 0 FGABLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)OCCO2 ZINC000222740590 568558611 /nfs/dbraw/zinc/55/86/11/568558611.db2.gz HPUKCJMREORTGP-HNNXBMFYSA-N 1 2 363.417 3.194 40 0 FGABLO c1csc(C[N@@H+]2CCO[C@@]3(CCC[C@H]3COCc3cccnc3)C2)n1 ZINC000107195273 209275982 /nfs/dbraw/zinc/27/59/82/209275982.db2.gz JCMRCPPWKMLHIX-HKUYNNGSSA-N 1 2 359.495 3.126 40 0 FGABLO c1csc(C[N@H+]2CCO[C@@]3(CCC[C@H]3COCc3cccnc3)C2)n1 ZINC000107195273 209275986 /nfs/dbraw/zinc/27/59/86/209275986.db2.gz JCMRCPPWKMLHIX-HKUYNNGSSA-N 1 2 359.495 3.126 40 0 FGABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@@H]1CC[C@H](C3)[N@H+]1Cc1ccc(F)cc1 ZINC000100219476 209210719 /nfs/dbraw/zinc/21/07/19/209210719.db2.gz DLTVUBUAJJQNKF-JKSUJKDBSA-N 1 2 352.413 3.014 40 0 FGABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@@H]1CC[C@H](C3)[N@@H+]1Cc1ccc(F)cc1 ZINC000100219476 209210716 /nfs/dbraw/zinc/21/07/16/209210716.db2.gz DLTVUBUAJJQNKF-JKSUJKDBSA-N 1 2 352.413 3.014 40 0 FGABLO COc1ccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)cc1 ZINC000096058062 209103755 /nfs/dbraw/zinc/10/37/55/209103755.db2.gz IVLFONLBWHJLGA-IPMKNSEASA-N 1 2 358.413 3.040 40 0 FGABLO COc1ccc(C[N@H+]2CCO[C@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)cc1 ZINC000096058062 209103759 /nfs/dbraw/zinc/10/37/59/209103759.db2.gz IVLFONLBWHJLGA-IPMKNSEASA-N 1 2 358.413 3.040 40 0 FGABLO Cc1ccc([NH+]2CCC(C(=O)NCCN(C)c3ccccc3)CC2)cc1 ZINC000219862634 132274988 /nfs/dbraw/zinc/27/49/88/132274988.db2.gz XPSDYZPLBNOIBD-UHFFFAOYSA-N 1 2 351.494 3.464 40 0 FGABLO CC[C@@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000035292085 494074122 /nfs/dbraw/zinc/07/41/22/494074122.db2.gz BAQFRRUARFWOMK-INIZCTEOSA-N 1 2 372.517 3.100 40 0 FGABLO CC[C@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000035292087 494074227 /nfs/dbraw/zinc/07/42/27/494074227.db2.gz BAQFRRUARFWOMK-MRXNPFEDSA-N 1 2 372.517 3.100 40 0 FGABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCC(=O)C(C)(C)C)CC1 ZINC000072347659 494156492 /nfs/dbraw/zinc/15/64/92/494156492.db2.gz ASEQFHCRFXCOTM-UHFFFAOYSA-N 1 2 370.497 3.004 40 0 FGABLO COc1ccccc1Oc1cncc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000072384356 494162119 /nfs/dbraw/zinc/16/21/19/494162119.db2.gz VPVWGORFLHDDQH-HNNXBMFYSA-N 1 2 351.410 3.338 40 0 FGABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(Cl)cc2)C3)CC1 ZINC000012184326 494211248 /nfs/dbraw/zinc/21/12/48/494211248.db2.gz FCRUYBRDHWQJBZ-UHFFFAOYSA-N 1 2 372.900 3.218 40 0 FGABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(Cl)cc2)C3)CC1 ZINC000012184326 494211255 /nfs/dbraw/zinc/21/12/55/494211255.db2.gz FCRUYBRDHWQJBZ-UHFFFAOYSA-N 1 2 372.900 3.218 40 0 FGABLO Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000044852961 494383895 /nfs/dbraw/zinc/38/38/95/494383895.db2.gz RGVAGCSKZCWIAQ-GOSISDBHSA-N 1 2 368.477 3.025 40 0 FGABLO CCOc1ccccc1C[N@H+]1CCc2nc3c(C)csc3c(=O)n2CC1 ZINC000019520200 494446236 /nfs/dbraw/zinc/44/62/36/494446236.db2.gz JYZAEPIOLZPDMQ-UHFFFAOYSA-N 1 2 369.490 3.223 40 0 FGABLO CCOc1ccccc1C[N@@H+]1CCc2nc3c(C)csc3c(=O)n2CC1 ZINC000019520200 494446241 /nfs/dbraw/zinc/44/62/41/494446241.db2.gz JYZAEPIOLZPDMQ-UHFFFAOYSA-N 1 2 369.490 3.223 40 0 FGABLO c1ccc(CN2C[NH+]=C3NC4(CCCC4)n4c5ccccc5nc4N3C2)cc1 ZINC000020676391 494479458 /nfs/dbraw/zinc/47/94/58/494479458.db2.gz DVFSSONWWBTECX-UHFFFAOYSA-N 1 2 372.476 3.460 40 0 FGABLO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000222942688 497030486 /nfs/dbraw/zinc/03/04/86/497030486.db2.gz ILDXESPSRVQUNC-UHFFFAOYSA-N 1 2 374.868 3.111 40 0 FGABLO Fc1cc(Br)ccc1NC(=S)NCCCn1cc[nH+]c1 ZINC000225521183 497066325 /nfs/dbraw/zinc/06/63/25/497066325.db2.gz FAXCXQWPLACOJU-UHFFFAOYSA-N 1 2 357.252 3.161 40 0 FGABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCCCN2Cc2[nH+]ccn2C)n1 ZINC000257199952 497389034 /nfs/dbraw/zinc/38/90/34/497389034.db2.gz ABKMABSBPHAUNI-QGZVFWFLSA-N 1 2 363.469 3.384 40 0 FGABLO CN1CC[N@H+](Cc2ccoc2)C[C@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306132898 498738066 /nfs/dbraw/zinc/73/80/66/498738066.db2.gz LVNONIMSBFASGY-NRFANRHFSA-N 1 2 373.460 3.478 40 0 FGABLO CN1CC[N@@H+](Cc2ccoc2)C[C@H]1c1nnn2cc(-c3ccccc3)ccc12 ZINC000306132898 498738072 /nfs/dbraw/zinc/73/80/72/498738072.db2.gz LVNONIMSBFASGY-NRFANRHFSA-N 1 2 373.460 3.478 40 0 FGABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccccn2)cc(-c2ccccc2)[nH+]1 ZINC000328984106 499006717 /nfs/dbraw/zinc/00/67/17/499006717.db2.gz HLCSTRFMTNTOKZ-LJQANCHMSA-N 1 2 363.465 3.001 40 0 FGABLO CC(C)[C@H](CO)Nc1nc(NCc2cccnc2)cc(-c2ccccc2)[nH+]1 ZINC000328987624 499007446 /nfs/dbraw/zinc/00/74/46/499007446.db2.gz IBYVQEKDRBTCEZ-IBGZPJMESA-N 1 2 363.465 3.001 40 0 FGABLO Fc1ccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329005805 499013165 /nfs/dbraw/zinc/01/31/65/499013165.db2.gz KZASIZQBWZTMDV-UHFFFAOYSA-N 1 2 363.440 3.488 40 0 FGABLO C[C@H](CO)Nc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329019822 499017653 /nfs/dbraw/zinc/01/76/53/499017653.db2.gz NYFJJSFCUCZGDQ-GFCCVEGCSA-N 1 2 372.831 3.316 40 0 FGABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1F ZINC000329041243 499022787 /nfs/dbraw/zinc/02/27/87/499022787.db2.gz SGZDKTWQMGFIOZ-UHFFFAOYSA-N 1 2 350.397 3.453 40 0 FGABLO COCc1ccccc1-c1c[nH+]c2n1CCN(C(=O)C1CCCC1)CC2 ZINC000585111299 507574239 /nfs/dbraw/zinc/57/42/39/507574239.db2.gz NKQILPXITQIAIS-UHFFFAOYSA-N 1 2 353.466 3.271 40 0 FGABLO Cc1cc(C)cc(C[N@H+]2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)c1 ZINC000585111863 507576754 /nfs/dbraw/zinc/57/67/54/507576754.db2.gz DBABSLYIXWPZIW-HXUWFJFHSA-N 1 2 352.482 3.069 40 0 FGABLO Cc1cc(C)cc(C[N@@H+]2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)c1 ZINC000585111863 507576762 /nfs/dbraw/zinc/57/67/62/507576762.db2.gz DBABSLYIXWPZIW-HXUWFJFHSA-N 1 2 352.482 3.069 40 0 FGABLO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3cn[nH]c3C)C2)s1 ZINC000257279767 526097790 /nfs/dbraw/zinc/09/77/90/526097790.db2.gz OICHWMRUVAULAI-AWEZNQCLSA-N 1 2 369.498 3.396 40 0 FGABLO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3cn[nH]c3C)C2)s1 ZINC000257279767 526097800 /nfs/dbraw/zinc/09/78/00/526097800.db2.gz OICHWMRUVAULAI-AWEZNQCLSA-N 1 2 369.498 3.396 40 0 FGABLO CCCC[C@@H](c1nnnn1C(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670190 534941874 /nfs/dbraw/zinc/94/18/74/534941874.db2.gz VJMSXPYBTJNUHO-SFHVURJKSA-N 1 2 360.481 3.447 40 0 FGABLO CC(C)[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669721 535169826 /nfs/dbraw/zinc/16/98/26/535169826.db2.gz CAZMEVLVIPXLKJ-QGZVFWFLSA-N 1 2 360.481 3.087 40 0 FGABLO COc1ccc2[nH]c(C[C@H]3C[N@@H+](C4CCC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289048 560033641 /nfs/dbraw/zinc/03/36/41/560033641.db2.gz MVHSHNQLKITKPX-KBPBESRZSA-N 1 2 357.454 3.079 40 0 biogenic,in-vitro FGABLO COc1ccc2[nH]c(C[C@H]3C[N@H+](C4CCC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289048 560033642 /nfs/dbraw/zinc/03/36/42/560033642.db2.gz MVHSHNQLKITKPX-KBPBESRZSA-N 1 2 357.454 3.079 40 0 biogenic,in-vitro FGABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCCC[N@H+]2Cc2ccnn2C)n1 ZINC000257338243 210003447 /nfs/dbraw/zinc/00/34/47/210003447.db2.gz YWPFNYDLDCLUHY-GOSISDBHSA-N 1 2 363.469 3.384 40 0 FGABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCCC[N@@H+]2Cc2ccnn2C)n1 ZINC000257338243 210003452 /nfs/dbraw/zinc/00/34/52/210003452.db2.gz YWPFNYDLDCLUHY-GOSISDBHSA-N 1 2 363.469 3.384 40 0 FGABLO CC(C)(C)Nc1nc(NCCN2CCOCC2)cc(-c2ccccc2)[nH+]1 ZINC000243230553 209365669 /nfs/dbraw/zinc/36/56/69/209365669.db2.gz KMRFSCJUKQNSEY-UHFFFAOYSA-N 1 2 355.486 3.098 40 0 FGABLO c1csc(C[NH+]2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)n1 ZINC000096263408 209147522 /nfs/dbraw/zinc/14/75/22/209147522.db2.gz SNOFDBOCTCEJHZ-UHFFFAOYSA-N 1 2 365.506 3.101 40 0 FGABLO Cc1cc(NC(=O)[C@H]2C[C@]3(CO2)CN(C(C)C)c2ccccc23)cc[nH+]1 ZINC000096262829 209146077 /nfs/dbraw/zinc/14/60/77/209146077.db2.gz RZEYSHSJRQAHPC-TZIWHRDSSA-N 1 2 351.450 3.284 40 0 FGABLO Fc1ccccc1C[N@H+]1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC000096220776 209137298 /nfs/dbraw/zinc/13/72/98/209137298.db2.gz WTAHBMKDNCPQRI-MRXNPFEDSA-N 1 2 352.413 3.128 40 0 FGABLO Fc1ccccc1C[N@@H+]1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC000096220776 209137301 /nfs/dbraw/zinc/13/73/01/209137301.db2.gz WTAHBMKDNCPQRI-MRXNPFEDSA-N 1 2 352.413 3.128 40 0 FGABLO OCCCNc1nc(NCc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329041870 206730188 /nfs/dbraw/zinc/73/01/88/206730188.db2.gz SKKVWFOGYPCGJX-UHFFFAOYSA-N 1 2 368.868 3.047 40 0 FGABLO CC[C@H](C)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000328977709 206724701 /nfs/dbraw/zinc/72/47/01/206724701.db2.gz FVAMBHKSSQZXKX-ZDUSSCGKSA-N 1 2 369.419 3.483 40 0 FGABLO OC1(c2ccccc2F)CC[NH+](Cc2ccnn2[C@@H]2CCCCO2)CC1 ZINC000012240565 207351718 /nfs/dbraw/zinc/35/17/18/207351718.db2.gz FOLPYCOOUIDPMA-IBGZPJMESA-N 1 2 359.445 3.205 40 0 FGABLO CCCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030939574 208007323 /nfs/dbraw/zinc/00/73/23/208007323.db2.gz QTVWOYRMILMNDH-UHFFFAOYSA-N 1 2 362.433 3.324 40 0 FGABLO Cn1nnc2c1[C@H](COCc1ccccc1)C[N@H+](Cc1cccs1)C2 ZINC000096060799 209105560 /nfs/dbraw/zinc/10/55/60/209105560.db2.gz FFUKYMLQMOAYKG-INIZCTEOSA-N 1 2 354.479 3.193 40 0 FGABLO Cn1nnc2c1[C@H](COCc1ccccc1)C[N@@H+](Cc1cccs1)C2 ZINC000096060799 209105563 /nfs/dbraw/zinc/10/55/63/209105563.db2.gz FFUKYMLQMOAYKG-INIZCTEOSA-N 1 2 354.479 3.193 40 0 FGABLO Cc1ncccc1Oc1cncc([C@@H]2CCCN2Cc2c[nH+]cn2C)n1 ZINC000072384444 208842763 /nfs/dbraw/zinc/84/27/63/208842763.db2.gz YADQJAZGTRFXGZ-KRWDZBQOSA-N 1 2 350.426 3.043 40 0 FGABLO CC(C)n1nnnc1[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000035310700 494073948 /nfs/dbraw/zinc/07/39/48/494073948.db2.gz CFQJLWUSLYRKET-FQEVSTJZSA-N 1 2 362.481 3.166 40 0 FGABLO O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378470 494160991 /nfs/dbraw/zinc/16/09/91/494160991.db2.gz HNONUOYTJVHDLO-QGZVFWFLSA-N 1 2 364.424 3.355 40 0 FGABLO Cc1ccc2cc(CNc3ccc([NH+]4CCC(O)CC4)cc3)c(=O)[nH]c2c1 ZINC000012088294 494202869 /nfs/dbraw/zinc/20/28/69/494202869.db2.gz RUYINPQEYARUGB-UHFFFAOYSA-N 1 2 363.461 3.410 40 0 FGABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccc(Cl)c2)C3)CC1 ZINC000012182387 494211038 /nfs/dbraw/zinc/21/10/38/494211038.db2.gz QUXVHNSSXDTXBL-UHFFFAOYSA-N 1 2 372.900 3.218 40 0 FGABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccc(Cl)c2)C3)CC1 ZINC000012182387 494211043 /nfs/dbraw/zinc/21/10/43/494211043.db2.gz QUXVHNSSXDTXBL-UHFFFAOYSA-N 1 2 372.900 3.218 40 0 FGABLO Cc1csc2c([C@H]3CCCN(C(=O)c4cnn(C)c4C)C3)[nH+]c(C)n12 ZINC000019240460 494439161 /nfs/dbraw/zinc/43/91/61/494439161.db2.gz IRSWLCOYRWWOLZ-AWEZNQCLSA-N 1 2 357.483 3.074 40 0 FGABLO COc1ccc(CN2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000019555358 494448753 /nfs/dbraw/zinc/44/87/53/494448753.db2.gz SDDROKQQADIGAH-UHFFFAOYSA-N 1 2 356.466 3.030 40 0 FGABLO C[N@H+](CC(=O)N[C@@H](Cc1ccsc1)c1cccnc1)Cc1ccccn1 ZINC000019586553 494451702 /nfs/dbraw/zinc/45/17/02/494451702.db2.gz LYVDCZDFVBNSOK-IBGZPJMESA-N 1 2 366.490 3.070 40 0 FGABLO C[N@@H+](CC(=O)N[C@@H](Cc1ccsc1)c1cccnc1)Cc1ccccn1 ZINC000019586553 494451705 /nfs/dbraw/zinc/45/17/05/494451705.db2.gz LYVDCZDFVBNSOK-IBGZPJMESA-N 1 2 366.490 3.070 40 0 FGABLO CCn1cc(NC(=O)C[NH+]2CCC(Oc3ccccc3C)CC2)c(C)n1 ZINC000019664671 494453593 /nfs/dbraw/zinc/45/35/93/494453593.db2.gz XVXVPEQVUHTWIN-UHFFFAOYSA-N 1 2 356.470 3.002 40 0 FGABLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2-c2cc[nH]n2)CC1 ZINC000095828970 494989165 /nfs/dbraw/zinc/98/91/65/494989165.db2.gz WIIVJZGREVFEIA-UHFFFAOYSA-N 1 2 372.469 3.008 40 0 FGABLO CC(C)n1cc(C[NH+]2CC3(C2)C[C@H](Oc2ncccc2F)CS3)cn1 ZINC000247982393 496938536 /nfs/dbraw/zinc/93/85/36/496938536.db2.gz HOSJBBIQVHFGKX-HNNXBMFYSA-N 1 2 362.474 3.137 40 0 FGABLO Cc1nc(C(C)C)ncc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225791542 497075156 /nfs/dbraw/zinc/07/51/56/497075156.db2.gz ATEVARJGRVKGBK-JXMROGBWSA-N 1 2 364.493 3.380 40 0 FGABLO Cc1ccccc1OCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000253447269 497333698 /nfs/dbraw/zinc/33/36/98/497333698.db2.gz OXBRTNVHKAMBAM-YRNVUSSQSA-N 1 2 350.462 3.231 40 0 FGABLO O[C@@H]1c2cc(Cl)cc(Cl)c2O[C@@H]2[C@@H]1CCC[C@@H]2[NH+]1CCOCC1 ZINC000255188814 497361022 /nfs/dbraw/zinc/36/10/22/497361022.db2.gz LUUHSWQTOMSKJN-DUUDNCRHSA-N 1 2 358.265 3.289 40 0 FGABLO O=C(Cn1cc[nH+]c1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257209990 497390427 /nfs/dbraw/zinc/39/04/27/497390427.db2.gz BSRKAQYEDAPFMO-INIZCTEOSA-N 1 2 368.412 3.007 40 0 FGABLO Cc1[nH+]cc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cccs3)C2)n1C ZINC000257215673 497391773 /nfs/dbraw/zinc/39/17/73/497391773.db2.gz CRECBCXWUWTTRX-CQSZACIVSA-N 1 2 367.478 3.267 40 0 FGABLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 ZINC000257275235 497397513 /nfs/dbraw/zinc/39/75/13/497397513.db2.gz NOMGRKPOQCJBFI-NRFANRHFSA-N 1 2 366.440 3.119 40 0 FGABLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 ZINC000257275235 497397515 /nfs/dbraw/zinc/39/75/15/497397515.db2.gz NOMGRKPOQCJBFI-NRFANRHFSA-N 1 2 366.440 3.119 40 0 FGABLO Cc1ccsc1C[N@H+]1Cc2ccnn2[C@H](CCNC(=O)N2CCCC2)C1 ZINC000306132138 498739239 /nfs/dbraw/zinc/73/92/39/498739239.db2.gz KZWHBKWCLPWSFK-MRXNPFEDSA-N 1 2 373.526 3.005 40 0 FGABLO Cc1ccsc1C[N@@H+]1Cc2ccnn2[C@H](CCNC(=O)N2CCCC2)C1 ZINC000306132138 498739245 /nfs/dbraw/zinc/73/92/45/498739245.db2.gz KZWHBKWCLPWSFK-MRXNPFEDSA-N 1 2 373.526 3.005 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000306137047 498741369 /nfs/dbraw/zinc/74/13/69/498741369.db2.gz QKEFWOYWYRAKRH-APWZRJJASA-N 1 2 355.415 3.295 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000306137047 498741371 /nfs/dbraw/zinc/74/13/71/498741371.db2.gz QKEFWOYWYRAKRH-APWZRJJASA-N 1 2 355.415 3.295 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000306142339 498742403 /nfs/dbraw/zinc/74/24/03/498742403.db2.gz WWHSTHTWZRBVCL-AZUAARDMSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000306142339 498742407 /nfs/dbraw/zinc/74/24/07/498742407.db2.gz WWHSTHTWZRBVCL-AZUAARDMSA-N 1 2 366.442 3.097 40 0 FGABLO COC(=O)c1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1 ZINC000328979215 499005355 /nfs/dbraw/zinc/00/53/55/499005355.db2.gz GEYNMBVMDJKIOB-QGZVFWFLSA-N 1 2 370.453 3.313 40 0 FGABLO c1cncc(-c2cc(NCCc3ccncc3)nc(NC3CCCCC3)[nH+]2)c1 ZINC000329019861 499016867 /nfs/dbraw/zinc/01/68/67/499016867.db2.gz NYRRGQJYNFRUDL-UHFFFAOYSA-N 1 2 374.492 3.177 40 0 FGABLO C[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329032819 499020815 /nfs/dbraw/zinc/02/08/15/499020815.db2.gz QQBFHHMDTBVZAJ-ZDUSSCGKSA-N 1 2 354.841 3.177 40 0 FGABLO COc1ncccc1CN1CCn2c(CCOCC(C)C)c[nH+]c2[C@@H]1C ZINC000585097758 507566295 /nfs/dbraw/zinc/56/62/95/507566295.db2.gz NWDGVMQMGOQTTE-INIZCTEOSA-N 1 2 358.486 3.079 40 0 FGABLO COc1ccccc1C[NH+]1CC2(C1)C[C@H](OCc1cccc(C)n1)CCO2 ZINC000585105234 507573034 /nfs/dbraw/zinc/57/30/34/507573034.db2.gz RBNVOAJBZGQJNE-HXUWFJFHSA-N 1 2 368.477 3.349 40 0 FGABLO CCc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)cc1 ZINC000585112194 507575617 /nfs/dbraw/zinc/57/56/17/507575617.db2.gz LEBYSVZTFQCGOL-FQEVSTJZSA-N 1 2 352.482 3.015 40 0 FGABLO CCc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)cc1 ZINC000585112194 507575622 /nfs/dbraw/zinc/57/56/22/507575622.db2.gz LEBYSVZTFQCGOL-FQEVSTJZSA-N 1 2 352.482 3.015 40 0 FGABLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC2(CC1)C[C@@H](c1ccccc1)CCO2 ZINC000585291686 507586704 /nfs/dbraw/zinc/58/67/04/507586704.db2.gz RPWBTBUGTFBJGS-DKFQHHCZSA-N 1 2 351.450 3.378 40 0 FGABLO CCCc1nc(SC)ncc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020931930 521533766 /nfs/dbraw/zinc/53/37/66/521533766.db2.gz GSFRYBPOHJINFI-UHFFFAOYSA-N 1 2 370.522 3.109 40 0 FGABLO O=C([O-])C[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514288843 560033741 /nfs/dbraw/zinc/03/37/41/560033741.db2.gz FYKJWENMPFGQBU-HOTGVXAUSA-N 1 2 364.449 3.113 40 0 biogenic,in-vitro FGABLO O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514288843 560033742 /nfs/dbraw/zinc/03/37/42/560033742.db2.gz FYKJWENMPFGQBU-HOTGVXAUSA-N 1 2 364.449 3.113 40 0 biogenic,in-vitro FGABLO COc1ccc(OC)c(/C=C2/SC(=O)N(C[NH+]3CCCCC3)C2=O)c1 ZINC000408973670 570705508 /nfs/dbraw/zinc/70/55/08/570705508.db2.gz NXXZYWGXOTYHSD-LFIBNONCSA-N 1 2 362.451 3.184 40 0 FGABLO Cc1nc(N2CCC[C@@H]2c2cccc(C(=O)Nc3nccs3)n2)cc[nH+]1 ZINC000257279109 209985934 /nfs/dbraw/zinc/98/59/34/209985934.db2.gz OFAODCTVALPJSD-OAHLLOKOSA-N 1 2 366.450 3.230 40 0 FGABLO C[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)C1(C)CC1)CC2 ZINC000096263355 209146912 /nfs/dbraw/zinc/14/69/12/209146912.db2.gz GJVYVUXOWKEOGK-UHFFFAOYSA-N 1 2 364.493 3.113 40 0 FGABLO C[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)C1(C)CC1)CC2 ZINC000096263355 209146916 /nfs/dbraw/zinc/14/69/16/209146916.db2.gz GJVYVUXOWKEOGK-UHFFFAOYSA-N 1 2 364.493 3.113 40 0 FGABLO Cc1ccc(NC(=O)N2CCCn3nnc(C[NH+]4CCCCC4)c3C2)cc1 ZINC000096259594 209146554 /nfs/dbraw/zinc/14/65/54/209146554.db2.gz WFPSTWWIDILODY-UHFFFAOYSA-N 1 2 368.485 3.010 40 0 FGABLO CCOC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2csc3ccccc23)C1 ZINC000096206992 209134585 /nfs/dbraw/zinc/13/45/85/209134585.db2.gz PXLDDVJHZMCGKS-AWEZNQCLSA-N 1 2 355.463 3.407 40 0 FGABLO Cc1cccc(CO[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2nccs2)C3)n1 ZINC000096206969 209133965 /nfs/dbraw/zinc/13/39/65/209133965.db2.gz RYSCFWRCKJYNOU-MJGOQNOKSA-N 1 2 359.495 3.187 40 0 FGABLO Cc1cccc(CO[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2nccs2)C3)n1 ZINC000096206969 209133967 /nfs/dbraw/zinc/13/39/67/209133967.db2.gz RYSCFWRCKJYNOU-MJGOQNOKSA-N 1 2 359.495 3.187 40 0 FGABLO c1nn(CC2CC2)c2c1CC[N@@H+](Cc1cccnc1)[C@@H]2COCC1CC1 ZINC000096197892 209133072 /nfs/dbraw/zinc/13/30/72/209133072.db2.gz IGMVCFSUTQSVHU-HXUWFJFHSA-N 1 2 352.482 3.214 40 0 FGABLO c1nn(CC2CC2)c2c1CC[N@H+](Cc1cccnc1)[C@@H]2COCC1CC1 ZINC000096197892 209133075 /nfs/dbraw/zinc/13/30/75/209133075.db2.gz IGMVCFSUTQSVHU-HXUWFJFHSA-N 1 2 352.482 3.214 40 0 FGABLO c1csc(CN2Cc3[nH+]cn(CC4CC4)c3[C@H](COCC3CC3)C2)n1 ZINC000096068673 209107088 /nfs/dbraw/zinc/10/70/88/209107088.db2.gz ADDLBWCGKQNFGX-INIZCTEOSA-N 1 2 358.511 3.276 40 0 FGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCc2ccccc2F)C1 ZINC000012116435 207339283 /nfs/dbraw/zinc/33/92/83/207339283.db2.gz ATIMZOCNXGNXQA-INIZCTEOSA-N 1 2 366.440 3.245 40 0 FGABLO O=c1[nH]c(-c2cccnc2)nc2c1C[N@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000012122036 207340097 /nfs/dbraw/zinc/34/00/97/207340097.db2.gz GCDWJMJKZFWWLN-UHFFFAOYSA-N 1 2 354.360 3.081 40 0 FGABLO O=c1[nH]c(-c2cccnc2)nc2c1C[N@@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000012122036 207340099 /nfs/dbraw/zinc/34/00/99/207340099.db2.gz GCDWJMJKZFWWLN-UHFFFAOYSA-N 1 2 354.360 3.081 40 0 FGABLO c1ccc(COC[C@H]2c3nnn(CC4CC4)c3CC[N@@H+]2C2CCC2)cc1 ZINC000096045435 209099270 /nfs/dbraw/zinc/09/92/70/209099270.db2.gz WOPIUQNHHICIGB-FQEVSTJZSA-N 1 2 352.482 3.357 40 0 FGABLO c1ccc(COC[C@H]2c3nnn(CC4CC4)c3CC[N@H+]2C2CCC2)cc1 ZINC000096045435 209099273 /nfs/dbraw/zinc/09/92/73/209099273.db2.gz WOPIUQNHHICIGB-FQEVSTJZSA-N 1 2 352.482 3.357 40 0 FGABLO CC(C)c1ccc(C(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)c(=O)[nH]1 ZINC000257322297 132297320 /nfs/dbraw/zinc/29/73/20/132297320.db2.gz WFJUNUSRODYPNT-HNNXBMFYSA-N 1 2 354.454 3.047 40 0 FGABLO CCOc1ccc([C@H]([NH3+])c2nc(COc3ccccc3)n[nH]2)cc1OCC ZINC000095534504 209079236 /nfs/dbraw/zinc/07/92/36/209079236.db2.gz YEFTXZPKOBZZNG-IBGZPJMESA-N 1 2 368.437 3.229 40 0 FGABLO COc1cccc(C[N@H+]2CCN(C(=O)[C@@H](OC)c3ccccc3)[C@@H](C)C2)c1 ZINC000019575568 263374771 /nfs/dbraw/zinc/37/47/71/263374771.db2.gz KPXZAACUKXDTNO-UWJYYQICSA-N 1 2 368.477 3.116 40 0 FGABLO COc1cccc(C[N@@H+]2CCN(C(=O)[C@@H](OC)c3ccccc3)[C@@H](C)C2)c1 ZINC000019575568 263374776 /nfs/dbraw/zinc/37/47/76/263374776.db2.gz KPXZAACUKXDTNO-UWJYYQICSA-N 1 2 368.477 3.116 40 0 FGABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1(c2ccccc2)CCOCC1 ZINC000069392152 493965844 /nfs/dbraw/zinc/96/58/44/493965844.db2.gz CWZPCEVPPLBPRS-UHFFFAOYSA-N 1 2 361.445 3.237 40 0 FGABLO O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216258 494144340 /nfs/dbraw/zinc/14/43/40/494144340.db2.gz ZANPFZOZXKZZIB-LJQANCHMSA-N 1 2 351.450 3.286 40 0 FGABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2c[nH+]c(N(C)C)c(C)c2)cc1 ZINC000072218629 494145823 /nfs/dbraw/zinc/14/58/23/494145823.db2.gz PCKHETGPNXEVRT-GOSISDBHSA-N 1 2 359.495 3.290 40 0 FGABLO CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)c2cccnc2)n1 ZINC000072378425 494161116 /nfs/dbraw/zinc/16/11/16/494161116.db2.gz CFEBOCCBOQGZKS-QGZVFWFLSA-N 1 2 362.437 3.158 40 0 FGABLO Cn1c[nH+]cc1CN1CCC[C@H]1c1cncc(Oc2ccc(F)cc2)n1 ZINC000072384450 494161758 /nfs/dbraw/zinc/16/17/58/494161758.db2.gz FVSXKTSKYYJUGW-SFHVURJKSA-N 1 2 353.401 3.479 40 0 FGABLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccccc1F)c1ccc(F)c(F)c1 ZINC000012115006 494205180 /nfs/dbraw/zinc/20/51/80/494205180.db2.gz RVDWDIMSEPVVCS-GOSISDBHSA-N 1 2 359.351 3.286 40 0 FGABLO C[C@@H]1CN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(F)cc3)n2)C[C@@H](C)O1 ZINC000012221180 494214669 /nfs/dbraw/zinc/21/46/69/494214669.db2.gz VXTNQXWYISQLJQ-CHWSQXEVSA-N 1 2 353.401 3.286 40 0 FGABLO CC(=O)c1cc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cs1 ZINC000012325935 494224253 /nfs/dbraw/zinc/22/42/53/494224253.db2.gz ULKSVCGYCVCPDM-UHFFFAOYSA-N 1 2 372.494 3.135 40 0 FGABLO COc1cccc(-c2ccc([C@@H]3C[N@H+](Cc4cnn(C)c4)CCO3)nc2)c1 ZINC000019692427 494455468 /nfs/dbraw/zinc/45/54/68/494455468.db2.gz MJTFIDZWNITDED-NRFANRHFSA-N 1 2 364.449 3.064 40 0 FGABLO COc1cccc(-c2ccc([C@@H]3C[N@@H+](Cc4cnn(C)c4)CCO3)nc2)c1 ZINC000019692427 494455470 /nfs/dbraw/zinc/45/54/70/494455470.db2.gz MJTFIDZWNITDED-NRFANRHFSA-N 1 2 364.449 3.064 40 0 FGABLO Clc1ccccc1C[NH2+]C1(Cc2cc(-c3ccccn3)on2)COC1 ZINC000067898241 494688087 /nfs/dbraw/zinc/68/80/87/494688087.db2.gz HUVTVCDHLVWRIU-UHFFFAOYSA-N 1 2 355.825 3.491 40 0 biogenic,in-vitro FGABLO CCOc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(F)cc3)[nH]2)cc1OCC ZINC000095533367 494989481 /nfs/dbraw/zinc/98/94/81/494989481.db2.gz COBHKXDLWDTXQG-KRWDZBQOSA-N 1 2 356.401 3.456 40 0 FGABLO Cc1nc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)sc1C ZINC000257202912 497390000 /nfs/dbraw/zinc/39/00/00/497390000.db2.gz ANWRFSBGIPSYFO-CQSZACIVSA-N 1 2 369.498 3.396 40 0 FGABLO Cc1nc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)sc1C ZINC000257202912 497390004 /nfs/dbraw/zinc/39/00/04/497390004.db2.gz ANWRFSBGIPSYFO-CQSZACIVSA-N 1 2 369.498 3.396 40 0 FGABLO Cc1[nH]c2ccc(CCC(=O)N3CCC4(CC3)CC=CCOC4)cc2[nH+]1 ZINC000257265037 497396734 /nfs/dbraw/zinc/39/67/34/497396734.db2.gz LXAMLUDJMBPUFF-UHFFFAOYSA-N 1 2 353.466 3.389 40 0 FGABLO Cc1[nH]c2cc(CCC(=O)N3CCC4(CC3)CC=CCOC4)ccc2[nH+]1 ZINC000257265037 497396736 /nfs/dbraw/zinc/39/67/36/497396736.db2.gz LXAMLUDJMBPUFF-UHFFFAOYSA-N 1 2 353.466 3.389 40 0 FGABLO COc1ccc(F)cc1C(=O)N1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257277034 497397908 /nfs/dbraw/zinc/39/79/08/497397908.db2.gz NWFFAHYMLLMXND-HNNXBMFYSA-N 1 2 357.429 3.315 40 0 FGABLO COc1ccc(Oc2cncc(C3CC[NH+](Cc4cnc[nH]4)CC3)n2)cc1 ZINC000257289835 497398923 /nfs/dbraw/zinc/39/89/23/497398923.db2.gz QAJZUNQRGBMQSO-UHFFFAOYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2Cc2ccnn2C(C)C)c1 ZINC000257318921 497402790 /nfs/dbraw/zinc/40/27/90/497402790.db2.gz VPYVHYIQZPKCKV-IBGZPJMESA-N 1 2 351.454 3.426 40 0 FGABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2CC ZINC000261365996 497406982 /nfs/dbraw/zinc/40/69/82/497406982.db2.gz WVBQEOUDTIPSSG-OAHLLOKOSA-O 1 2 359.475 3.304 40 0 FGABLO CC[C@H](C)Nc1nc(NCc2ccccc2OC)cc(-c2cccnc2)[nH+]1 ZINC000329009647 499013056 /nfs/dbraw/zinc/01/30/56/499013056.db2.gz LWFIGVZXWVZXPP-HNNXBMFYSA-N 1 2 363.465 3.214 40 0 FGABLO CNc1nc(NCc2ccccc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329014857 499016368 /nfs/dbraw/zinc/01/63/68/499016368.db2.gz MZCIAWGEWXKMBO-UHFFFAOYSA-N 1 2 369.266 3.404 40 0 FGABLO CC[C@@H](C)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000329014786 499016393 /nfs/dbraw/zinc/01/63/93/499016393.db2.gz MYHBTJLXYCZANR-CYBMUJFWSA-N 1 2 369.419 3.483 40 0 FGABLO Cc1c(Nc2cc(C3CC3)[nH+]c(N[C@H](C)CO)n2)cccc1C(F)(F)F ZINC000329036023 499021656 /nfs/dbraw/zinc/02/16/56/499021656.db2.gz RHJYVEITKISSIN-SNVBAGLBSA-N 1 2 366.387 3.061 40 0 FGABLO COc1ccc(CC(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)cc1F ZINC000257333725 210001964 /nfs/dbraw/zinc/00/19/64/210001964.db2.gz YCUFEYPVGHGLHO-QGZVFWFLSA-N 1 2 357.429 3.202 40 0 FGABLO COc1ccc(CC(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)cc1F ZINC000257333724 210002248 /nfs/dbraw/zinc/00/22/48/210002248.db2.gz YCUFEYPVGHGLHO-KRWDZBQOSA-N 1 2 357.429 3.202 40 0 FGABLO CCn1cc(C[N@H+]2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)cn1 ZINC000249689152 209929219 /nfs/dbraw/zinc/92/92/19/209929219.db2.gz IWXMPQPBRQAEJA-OAQYLSRUSA-N 1 2 372.513 3.095 40 0 FGABLO CCn1cc(C[N@@H+]2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)cn1 ZINC000249689152 209929222 /nfs/dbraw/zinc/92/92/22/209929222.db2.gz IWXMPQPBRQAEJA-OAQYLSRUSA-N 1 2 372.513 3.095 40 0 FGABLO Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110660261 209324720 /nfs/dbraw/zinc/32/47/20/209324720.db2.gz IUKBNUHBDJGIKA-GOSISDBHSA-N 1 2 368.477 3.025 40 0 FGABLO CC(C)COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)/C=C/c2cccs2)C1 ZINC000096218618 209137498 /nfs/dbraw/zinc/13/74/98/209137498.db2.gz LTFXFAMXTRSIRB-JFDDCEBESA-N 1 2 359.495 3.289 40 0 FGABLO CCc1ncc(C[N@@H+](Cc2cc(OC)ccc2OC)C[C@@H]2CCCO2)cn1 ZINC000012187504 207346038 /nfs/dbraw/zinc/34/60/38/207346038.db2.gz CWLBYYUSUUVLMP-IBGZPJMESA-N 1 2 371.481 3.237 40 0 FGABLO CCc1ncc(C[N@H+](Cc2cc(OC)ccc2OC)C[C@@H]2CCCO2)cn1 ZINC000012187504 207346039 /nfs/dbraw/zinc/34/60/39/207346039.db2.gz CWLBYYUSUUVLMP-IBGZPJMESA-N 1 2 371.481 3.237 40 0 FGABLO Cn1nnc2c1CC[N@H+](Cc1cccs1)[C@@H]2COCc1ccccc1 ZINC000096060515 209105153 /nfs/dbraw/zinc/10/51/53/209105153.db2.gz JTLCVLWGUIFANP-GOSISDBHSA-N 1 2 354.479 3.193 40 0 FGABLO Cn1nnc2c1CC[N@@H+](Cc1cccs1)[C@@H]2COCc1ccccc1 ZINC000096060515 209105156 /nfs/dbraw/zinc/10/51/56/209105156.db2.gz JTLCVLWGUIFANP-GOSISDBHSA-N 1 2 354.479 3.193 40 0 FGABLO Cn1nnc2c1CC[N@H+](Cc1cccs1)[C@H]2COCc1ccccc1 ZINC000096060514 209105089 /nfs/dbraw/zinc/10/50/89/209105089.db2.gz JTLCVLWGUIFANP-SFHVURJKSA-N 1 2 354.479 3.193 40 0 FGABLO Cn1nnc2c1CC[N@@H+](Cc1cccs1)[C@H]2COCc1ccccc1 ZINC000096060514 209105093 /nfs/dbraw/zinc/10/50/93/209105093.db2.gz JTLCVLWGUIFANP-SFHVURJKSA-N 1 2 354.479 3.193 40 0 FGABLO Cn1c[nH+]c2c1[C@H](COCC1CCCC1)CN(C(=O)[C@H]1CC=CCC1)C2 ZINC000096044968 209099823 /nfs/dbraw/zinc/09/98/23/209099823.db2.gz BCCFDKPLUCLHSN-ROUUACIJSA-N 1 2 357.498 3.409 40 0 FGABLO Cc1csc(Nc2nccnc2[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000257250916 132295538 /nfs/dbraw/zinc/29/55/38/132295538.db2.gz JONUHGHMBBWCLT-CQSZACIVSA-N 1 2 367.482 3.468 40 0 FGABLO CC(C)[C@@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057669592 136129810 /nfs/dbraw/zinc/12/98/10/136129810.db2.gz FWRJJFLRKJAGPR-IBGZPJMESA-N 1 2 354.502 3.308 40 0 FGABLO O=S(=O)(Nc1ccc([NH+]2CCCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000068300429 136137811 /nfs/dbraw/zinc/13/78/11/136137811.db2.gz AGWJIZQKIOALDU-UHFFFAOYSA-N 1 2 374.462 3.249 40 0 FGABLO Cc1cc(-c2cnc(NCCc3c[nH]c[nH+]3)nc2-c2ccc(C)o2)on1 ZINC000072340109 494154000 /nfs/dbraw/zinc/15/40/00/494154000.db2.gz OVFVMRXQXZCNIQ-UHFFFAOYSA-N 1 2 350.382 3.386 40 0 FGABLO Cc1cc(-c2cnc(NCCc3c[nH+]c[nH]3)nc2-c2ccc(C)o2)on1 ZINC000072340109 494154005 /nfs/dbraw/zinc/15/40/05/494154005.db2.gz OVFVMRXQXZCNIQ-UHFFFAOYSA-N 1 2 350.382 3.386 40 0 FGABLO COc1cccc(C[N@@H+]2CC[C@@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)c1 ZINC000012255208 494217814 /nfs/dbraw/zinc/21/78/14/494217814.db2.gz LTMGGZIPKHJCKW-MRXNPFEDSA-N 1 2 352.438 3.050 40 0 FGABLO COc1cccc(C[N@H+]2CC[C@@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)c1 ZINC000012255208 494217816 /nfs/dbraw/zinc/21/78/16/494217816.db2.gz LTMGGZIPKHJCKW-MRXNPFEDSA-N 1 2 352.438 3.050 40 0 FGABLO COc1ccc(C[N@@H+]2C[C@@H]3ON=C(c4ccccc4F)[C@@H]3C2)cc1OC ZINC000012329180 494225709 /nfs/dbraw/zinc/22/57/09/494225709.db2.gz KUXNHKSWJHECTQ-BEFAXECRSA-N 1 2 356.397 3.078 40 0 FGABLO COc1ccc(C[N@H+]2C[C@@H]3ON=C(c4ccccc4F)[C@@H]3C2)cc1OC ZINC000012329180 494225714 /nfs/dbraw/zinc/22/57/14/494225714.db2.gz KUXNHKSWJHECTQ-BEFAXECRSA-N 1 2 356.397 3.078 40 0 FGABLO Cc1cnn(CC(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)c1 ZINC000019239949 494439513 /nfs/dbraw/zinc/43/95/13/494439513.db2.gz MMOCIDKRUBEJNP-UHFFFAOYSA-N 1 2 359.433 3.492 40 0 FGABLO Cc1csc2c(C3CCN(C(=O)c4cnn(C)c4C)CC3)[nH+]c(C)n12 ZINC000019240570 494440062 /nfs/dbraw/zinc/44/00/62/494440062.db2.gz RKJDRZBIHJOEBC-UHFFFAOYSA-N 1 2 357.483 3.074 40 0 FGABLO Cc1nc(C)c(CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)s1 ZINC000019560481 494450497 /nfs/dbraw/zinc/45/04/97/494450497.db2.gz MCBVUQAKQBJTBJ-QGZVFWFLSA-N 1 2 358.442 3.081 40 0 FGABLO CCN(CC)C(=O)c1cnc([C@@H]2CCCC[N@@H+]2Cc2cccnc2)nc1C ZINC000019753720 494460677 /nfs/dbraw/zinc/46/06/77/494460677.db2.gz DZDIAQBZJFVGBR-IBGZPJMESA-N 1 2 367.497 3.389 40 0 FGABLO CCN(CC)C(=O)c1cnc([C@@H]2CCCC[N@H+]2Cc2cccnc2)nc1C ZINC000019753720 494460683 /nfs/dbraw/zinc/46/06/83/494460683.db2.gz DZDIAQBZJFVGBR-IBGZPJMESA-N 1 2 367.497 3.389 40 0 FGABLO Cc1cccc(C(=O)N2CC3(C2)OCC[C@@H]3CCNc2cccc[nH+]2)c1 ZINC000248172759 496969174 /nfs/dbraw/zinc/96/91/74/496969174.db2.gz XICUYSRNMQCENC-SFHVURJKSA-N 1 2 351.450 3.123 40 0 FGABLO Fc1cccc(-c2nccnc2[C@H]2C[N@H+](Cc3cccnc3)CCO2)c1 ZINC000257279190 497398327 /nfs/dbraw/zinc/39/83/27/497398327.db2.gz OFLOOCRORHWWIG-GOSISDBHSA-N 1 2 350.397 3.251 40 0 FGABLO Fc1cccc(-c2nccnc2[C@H]2C[N@@H+](Cc3cccnc3)CCO2)c1 ZINC000257279190 497398333 /nfs/dbraw/zinc/39/83/33/497398333.db2.gz OFLOOCRORHWWIG-GOSISDBHSA-N 1 2 350.397 3.251 40 0 FGABLO c1c([C@@H]2C[N@H+](Cc3ccccn3)CCO2)nc2cccc(-c3ccncc3)n12 ZINC000306126507 498737885 /nfs/dbraw/zinc/73/78/85/498737885.db2.gz DXZROWAGQPIGHN-NRFANRHFSA-N 1 2 371.444 3.365 40 0 FGABLO c1c([C@@H]2C[N@@H+](Cc3ccccn3)CCO2)nc2cccc(-c3ccncc3)n12 ZINC000306126507 498737892 /nfs/dbraw/zinc/73/78/92/498737892.db2.gz DXZROWAGQPIGHN-NRFANRHFSA-N 1 2 371.444 3.365 40 0 FGABLO C[C@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329016875 499016287 /nfs/dbraw/zinc/01/62/87/499016287.db2.gz NJNINNJIMMXFDP-CQSZACIVSA-N 1 2 368.868 3.046 40 0 FGABLO CCOCCc1c[nH+]c2n1CCN(C(=O)Cc1ccc(F)cc1C)[C@H]2C ZINC000585097871 507566453 /nfs/dbraw/zinc/56/64/53/507566453.db2.gz OLNLXVTWHHFKLR-HNNXBMFYSA-N 1 2 359.445 3.056 40 0 FGABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c(Br)c1 ZINC000329061778 210135704 /nfs/dbraw/zinc/13/57/04/210135704.db2.gz WTWQQPDNYJTJKT-UHFFFAOYSA-N 1 2 363.234 3.417 40 0 FGABLO c1ccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCCC3)n2)nc1 ZINC000329046072 210132421 /nfs/dbraw/zinc/13/24/21/210132421.db2.gz TZPGSGMQTSIMGT-UHFFFAOYSA-N 1 2 360.465 3.134 40 0 FGABLO CC[C@H](C)Nc1nc(NCc2ccccc2OC)cc(-c2ccncc2)[nH+]1 ZINC000329014871 210130538 /nfs/dbraw/zinc/13/05/38/210130538.db2.gz MZDUQBATKYPGEU-HNNXBMFYSA-N 1 2 363.465 3.214 40 0 FGABLO c1c([C@@H]2C[N@H+](Cc3cccnc3)CCO2)nc2cccc(-c3ccncc3)n12 ZINC000306133869 210053892 /nfs/dbraw/zinc/05/38/92/210053892.db2.gz MYCYSSQZXWGXGO-NRFANRHFSA-N 1 2 371.444 3.365 40 0 FGABLO c1c([C@@H]2C[N@@H+](Cc3cccnc3)CCO2)nc2cccc(-c3ccncc3)n12 ZINC000306133869 210053897 /nfs/dbraw/zinc/05/38/97/210053897.db2.gz MYCYSSQZXWGXGO-NRFANRHFSA-N 1 2 371.444 3.365 40 0 FGABLO Clc1cccc(C[NH+]2CC3(C2)OCC[C@H]3COCC2CCOCC2)c1 ZINC000253489988 222991636 /nfs/dbraw/zinc/99/16/36/222991636.db2.gz HAXSSVQDZONGLA-SFHVURJKSA-N 1 2 365.901 3.374 40 0 FGABLO CCn1nc(C2CC2)cc1C(=O)N1CCC[C@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257242857 223035024 /nfs/dbraw/zinc/03/50/24/223035024.db2.gz IEMHOPRZSBHRFX-KRWDZBQOSA-N 1 2 353.470 3.219 40 0 FGABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc4cc(F)ccc4n3C)C2)[nH+]1 ZINC000257334738 223069703 /nfs/dbraw/zinc/06/97/03/223069703.db2.gz YHEKASXHGARYCO-AWEZNQCLSA-N 1 2 354.429 3.379 40 0 FGABLO Cc1noc(C)c1CCC(=O)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257339911 223072083 /nfs/dbraw/zinc/07/20/83/223072083.db2.gz ZDQXPONTXJWOGF-GOSISDBHSA-N 1 2 350.422 3.204 40 0 FGABLO Cc1cccc(C[N@H+](CCNC(=O)c2cccs2)Cc2ccccn2)n1 ZINC000057797334 211979757 /nfs/dbraw/zinc/97/97/57/211979757.db2.gz PGHLOLZOLBBOPW-UHFFFAOYSA-N 1 2 366.490 3.279 40 0 FGABLO Cc1cccc(C[N@@H+](CCNC(=O)c2cccs2)Cc2ccccn2)n1 ZINC000057797334 211979760 /nfs/dbraw/zinc/97/97/60/211979760.db2.gz PGHLOLZOLBBOPW-UHFFFAOYSA-N 1 2 366.490 3.279 40 0 FGABLO c1coc(CN2C[NH+]=C3NC4(CCCC4)n4c5ccccc5nc4N3C2)c1 ZINC000020676412 211293289 /nfs/dbraw/zinc/29/32/89/211293289.db2.gz DUOVPQHZKFVFFK-UHFFFAOYSA-N 1 2 362.437 3.053 40 0 FGABLO Cn1cc(C[N@@H+]2CCO[C@@H](C(=O)Nc3ccccc3)C2)c2cc(F)ccc21 ZINC000019747643 211253916 /nfs/dbraw/zinc/25/39/16/211253916.db2.gz KNKSBBCMMOJIJD-HXUWFJFHSA-N 1 2 367.424 3.157 40 0 FGABLO Cn1cc(C[N@H+]2CCO[C@@H](C(=O)Nc3ccccc3)C2)c2cc(F)ccc21 ZINC000019747643 211253921 /nfs/dbraw/zinc/25/39/21/211253921.db2.gz KNKSBBCMMOJIJD-HXUWFJFHSA-N 1 2 367.424 3.157 40 0 FGABLO Cc1cc2[nH]c(CCNC(=O)c3cn4cc(Cl)ccc4n3)[nH+]c2cc1C ZINC000019716863 211249978 /nfs/dbraw/zinc/24/99/78/211249978.db2.gz RRINWQMVPPDTQL-UHFFFAOYSA-N 1 2 367.840 3.453 40 0 FGABLO COc1ccc(OC)c(-c2csc(NC(=O)[C@H](C)n3cc[nH+]c3)n2)c1 ZINC000019080685 211202576 /nfs/dbraw/zinc/20/25/76/211202576.db2.gz IQVOIDBKMOHUSS-NSHDSACASA-N 1 2 358.423 3.224 40 0 FGABLO Fc1ccc(CN2CCOC[C@@]3(CC[N@H+](Cc4nccs4)C3)C2)cc1 ZINC000096062433 222008943 /nfs/dbraw/zinc/00/89/43/222008943.db2.gz ACCIQITVOKZIPE-LJQANCHMSA-N 1 2 361.486 3.007 40 0 FGABLO Fc1ccc(CN2CCOC[C@@]3(CC[N@@H+](Cc4nccs4)C3)C2)cc1 ZINC000096062433 222008944 /nfs/dbraw/zinc/00/89/44/222008944.db2.gz ACCIQITVOKZIPE-LJQANCHMSA-N 1 2 361.486 3.007 40 0 FGABLO O=C(c1ccccc1)N1CC[C@H]2OCC[C@@]2(CCNc2cccc[nH+]2)C1 ZINC000096206690 222076878 /nfs/dbraw/zinc/07/68/78/222076878.db2.gz RSPFICUIVGEOIP-NQIIRXRSSA-N 1 2 351.450 3.205 40 0 FGABLO Cc1cccc(C(=O)N2CCC3(C[C@H](Nc4cccc[nH+]4)CO3)CC2)c1 ZINC000096221341 222085558 /nfs/dbraw/zinc/08/55/58/222085558.db2.gz RNJJAWUSHRFEHW-SFHVURJKSA-N 1 2 351.450 3.266 40 0 FGABLO CCn1ncc(C[N@@H+](Cc2cc(OC)ccc2OC)C[C@H]2CCCO2)c1C ZINC000057811267 493800819 /nfs/dbraw/zinc/80/08/19/493800819.db2.gz DVQKYJLICJQJGN-HXUWFJFHSA-N 1 2 373.497 3.410 40 0 FGABLO CCn1ncc(C[N@H+](Cc2cc(OC)ccc2OC)C[C@H]2CCCO2)c1C ZINC000057811267 493800820 /nfs/dbraw/zinc/80/08/20/493800820.db2.gz DVQKYJLICJQJGN-HXUWFJFHSA-N 1 2 373.497 3.410 40 0 FGABLO O=c1[nH]c(-c2cccnc2)nc2c1C[N@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000072339850 494153828 /nfs/dbraw/zinc/15/38/28/494153828.db2.gz SICHCNCEEJSGLE-UHFFFAOYSA-N 1 2 354.360 3.081 40 0 FGABLO O=c1[nH]c(-c2cccnc2)nc2c1C[N@@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000072339850 494153831 /nfs/dbraw/zinc/15/38/31/494153831.db2.gz SICHCNCEEJSGLE-UHFFFAOYSA-N 1 2 354.360 3.081 40 0 FGABLO Cc1nnc(Nc2cc([C@@H]3CCC[N@@H+]3Cc3cccnc3)nc(C)n2)s1 ZINC000072360213 494158267 /nfs/dbraw/zinc/15/82/67/494158267.db2.gz SQQMLFVQNWRZJP-INIZCTEOSA-N 1 2 367.482 3.421 40 0 FGABLO Cc1nnc(Nc2cc([C@@H]3CCC[N@H+]3Cc3cccnc3)nc(C)n2)s1 ZINC000072360213 494158270 /nfs/dbraw/zinc/15/82/70/494158270.db2.gz SQQMLFVQNWRZJP-INIZCTEOSA-N 1 2 367.482 3.421 40 0 FGABLO Cc1cc(Oc2ccccc2F)nc([C@H]2CC[N@@H+](Cc3nccn3C)C2)n1 ZINC000072384195 494162439 /nfs/dbraw/zinc/16/24/39/494162439.db2.gz BEVVJDRBGXGWJG-HNNXBMFYSA-N 1 2 367.428 3.439 40 0 FGABLO Cc1cc(Oc2ccccc2F)nc([C@H]2CC[N@H+](Cc3nccn3C)C2)n1 ZINC000072384195 494162443 /nfs/dbraw/zinc/16/24/43/494162443.db2.gz BEVVJDRBGXGWJG-HNNXBMFYSA-N 1 2 367.428 3.439 40 0 FGABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000012116319 494206286 /nfs/dbraw/zinc/20/62/86/494206286.db2.gz RVLOWQAYQLURGN-UHFFFAOYSA-N 1 2 366.440 3.245 40 0 FGABLO CNc1ncccc1C[N@@H+](Cc1ccc(OC)cc1OC)C[C@H]1CCCO1 ZINC000012187276 494211921 /nfs/dbraw/zinc/21/19/21/494211921.db2.gz QBXROSXUBZMKFP-LJQANCHMSA-N 1 2 371.481 3.322 40 0 FGABLO CNc1ncccc1C[N@H+](Cc1ccc(OC)cc1OC)C[C@H]1CCCO1 ZINC000012187276 494211926 /nfs/dbraw/zinc/21/19/26/494211926.db2.gz QBXROSXUBZMKFP-LJQANCHMSA-N 1 2 371.481 3.322 40 0 FGABLO CCOc1ccc(C[N@@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cc1 ZINC000012275825 494219583 /nfs/dbraw/zinc/21/95/83/494219583.db2.gz JBLJXECASZZBNR-UHFFFAOYSA-N 1 2 364.449 3.269 40 0 FGABLO CCOc1ccc(C[N@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cc1 ZINC000012275825 494219585 /nfs/dbraw/zinc/21/95/85/494219585.db2.gz JBLJXECASZZBNR-UHFFFAOYSA-N 1 2 364.449 3.269 40 0 FGABLO CCc1ccc(NC(=O)C[C@H]2[NH2+]CCc3c4ccccc4[nH]c3C2=O)cc1 ZINC000014162317 494306776 /nfs/dbraw/zinc/30/67/76/494306776.db2.gz OSRXSLRFWGYTPU-LJQANCHMSA-N 1 2 361.445 3.456 40 0 FGABLO O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044786674 494380699 /nfs/dbraw/zinc/38/06/99/494380699.db2.gz RTDIXSPKOGGKLO-UHFFFAOYSA-N 1 2 374.444 3.420 40 0 FGABLO c1cc(CN2CCC[C@@H]2c2nnc3n2CC[NH2+]C3)cc(OC2CCCC2)c1 ZINC000019767398 494460658 /nfs/dbraw/zinc/46/06/58/494460658.db2.gz OCZZOULOUVUZIZ-LJQANCHMSA-N 1 2 367.497 3.040 40 0 FGABLO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccc(F)cc3)n[nH]2)cc1OCC ZINC000095534496 494989788 /nfs/dbraw/zinc/98/97/88/494989788.db2.gz CQVYZWJGNAVSIZ-KRWDZBQOSA-N 1 2 356.401 3.456 40 0 FGABLO Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110660264 494999344 /nfs/dbraw/zinc/99/93/44/494999344.db2.gz IUKBNUHBDJGIKA-SFHVURJKSA-N 1 2 368.477 3.025 40 0 FGABLO Cc1nc(CO[C@H]2CCOC3(C[NH+](Cc4scnc4C)C3)C2)cs1 ZINC000248026633 496943110 /nfs/dbraw/zinc/94/31/10/496943110.db2.gz KJUHCPOVJRSDCA-HNNXBMFYSA-N 1 2 365.524 3.167 40 0 FGABLO CC[C@@H](C)Nc1nc(NCCN2CCOCC2)cc(-c2ccccc2)[nH+]1 ZINC000240762369 497351336 /nfs/dbraw/zinc/35/13/36/497351336.db2.gz ATFDEVAFTRKCDB-MRXNPFEDSA-N 1 2 355.486 3.098 40 0 FGABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cccc(O)c1 ZINC000261365395 497407144 /nfs/dbraw/zinc/40/71/44/497407144.db2.gz RYHIJIOWXRYCNZ-KRWDZBQOSA-O 1 2 367.454 3.317 40 0 FGABLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@@H](C)C(=O)Nc1ccnn1C(C)C)C2 ZINC000329791771 497903057 /nfs/dbraw/zinc/90/30/57/497903057.db2.gz UTFLOPDFSHBQDM-HNNXBMFYSA-N 1 2 368.481 3.347 40 0 FGABLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H](C)C(=O)Nc1ccnn1C(C)C)C2 ZINC000329791771 497903065 /nfs/dbraw/zinc/90/30/65/497903065.db2.gz UTFLOPDFSHBQDM-HNNXBMFYSA-N 1 2 368.481 3.347 40 0 FGABLO Fc1ccc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)cc1F ZINC000585105067 507571476 /nfs/dbraw/zinc/57/14/76/507571476.db2.gz OPMPPFSVEXVALM-MRXNPFEDSA-N 1 2 369.477 3.468 40 0 FGABLO Cc1cccc(C[N@H+]2Cc3ccnn3[C@@H](CCNC(=O)CC3CC3)C2)c1 ZINC000585112538 507575581 /nfs/dbraw/zinc/57/55/81/507575581.db2.gz SBLMXKHVHAJECQ-IBGZPJMESA-N 1 2 352.482 3.055 40 0 FGABLO Cc1cccc(C[N@@H+]2Cc3ccnn3[C@@H](CCNC(=O)CC3CC3)C2)c1 ZINC000585112538 507575587 /nfs/dbraw/zinc/57/55/87/507575587.db2.gz SBLMXKHVHAJECQ-IBGZPJMESA-N 1 2 352.482 3.055 40 0 FGABLO CCNc1nc(Nc2ccc(OC)cc2OC)cc(-c2ccccc2)[nH+]1 ZINC000329024805 521731323 /nfs/dbraw/zinc/73/13/23/521731323.db2.gz PBJIAHMSGNWQSJ-UHFFFAOYSA-N 1 2 350.422 3.180 40 0 FGABLO Cc1[nH+]cc(-c2cncc(C3CCN(C(=O)c4ccccc4)CC3)n2)n1C ZINC000257220927 534721840 /nfs/dbraw/zinc/72/18/40/534721840.db2.gz DMVBKKVIWWBGLW-UHFFFAOYSA-N 1 2 361.449 3.205 40 0 FGABLO CNc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329065973 210135265 /nfs/dbraw/zinc/13/52/65/210135265.db2.gz XWBHCJIKAFQNDP-UHFFFAOYSA-N 1 2 369.266 3.404 40 0 FGABLO Cc1ccc(Cl)cc1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329013090 210131594 /nfs/dbraw/zinc/13/15/94/210131594.db2.gz MOEWLVCHWUXJKG-AWEZNQCLSA-N 1 2 368.868 3.486 40 0 FGABLO Fc1cc(Br)ccc1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000329004791 210129322 /nfs/dbraw/zinc/12/93/22/210129322.db2.gz KTQYXFKEAYQCIL-UHFFFAOYSA-N 1 2 363.234 3.417 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000306125188 210048264 /nfs/dbraw/zinc/04/82/64/210048264.db2.gz CIMTVKZHZROVNM-MJGOQNOKSA-N 1 2 355.415 3.295 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000306125188 210048268 /nfs/dbraw/zinc/04/82/68/210048268.db2.gz CIMTVKZHZROVNM-MJGOQNOKSA-N 1 2 355.415 3.295 40 0 FGABLO COc1cccc(C[N@H+]2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000019565393 211234061 /nfs/dbraw/zinc/23/40/61/211234061.db2.gz MJARJWSNEFCKGZ-GOSISDBHSA-N 1 2 351.406 3.319 40 0 FGABLO COc1cccc(C[N@@H+]2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000019565393 211234058 /nfs/dbraw/zinc/23/40/58/211234058.db2.gz MJARJWSNEFCKGZ-GOSISDBHSA-N 1 2 351.406 3.319 40 0 FGABLO COc1ccc2[nH]cc([C@H]3CC[C@@H](NC(=O)CCn4cc[nH+]c4)C3)c2c1 ZINC000019563228 211233558 /nfs/dbraw/zinc/23/35/58/211233558.db2.gz YXUZNSZGWXMHCB-LSDHHAIUSA-N 1 2 352.438 3.216 40 0 FGABLO Cc1csc2c1nc1n(c2=O)CC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000019240315 211212795 /nfs/dbraw/zinc/21/27/95/211212795.db2.gz CMINDVAQIDFYLQ-UHFFFAOYSA-N 1 2 359.882 3.478 40 0 FGABLO Cc1csc2c1nc1n(c2=O)CC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000019240315 211212799 /nfs/dbraw/zinc/21/27/99/211212799.db2.gz CMINDVAQIDFYLQ-UHFFFAOYSA-N 1 2 359.882 3.478 40 0 FGABLO Clc1cc(CSC2=[NH+]CN(CC3CC3)CN2)c2c(c1)COCO2 ZINC000001042620 210307050 /nfs/dbraw/zinc/30/70/50/210307050.db2.gz CDUUDAMMBVLYJS-UHFFFAOYSA-N 1 2 353.875 3.026 40 0 in-vitro FGABLO C[NH+]1CCN(C(=O)c2cc(Cl)c(Br)c(Cl)c2)CC1 ZINC000059842939 221127701 /nfs/dbraw/zinc/12/77/01/221127701.db2.gz IMHNVRRZBNPXRW-UHFFFAOYSA-N 1 2 352.059 3.144 40 0 FGABLO Cc1ccc(/C=C/C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)s1 ZINC000040106831 136119300 /nfs/dbraw/zinc/11/93/00/136119300.db2.gz BIZPFSYCGOAPJN-VIGJRRFGSA-N 1 2 371.506 3.395 40 0 FGABLO CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CCN(C(=O)c1ccsc1)C2 ZINC000096254168 222101564 /nfs/dbraw/zinc/10/15/64/222101564.db2.gz OMCPZGWSCACVHA-UHFFFAOYSA-N 1 2 357.483 3.131 40 0 FGABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N(C)C)[nH+]c2)cc1 ZINC000072212635 494144128 /nfs/dbraw/zinc/14/41/28/494144128.db2.gz WGAAACXYBZEYAQ-SFHVURJKSA-N 1 2 359.495 3.372 40 0 FGABLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000012115007 494205139 /nfs/dbraw/zinc/20/51/39/494205139.db2.gz ZCROMCCSNPPBFF-SFHVURJKSA-N 1 2 359.351 3.286 40 0 FGABLO COc1ccc(CN(Cc2ccco2)Cc2c[nH+]cn2C)c(OC)c1OC ZINC000012147062 494209153 /nfs/dbraw/zinc/20/91/53/494209153.db2.gz MBQASIFDRBUIKF-UHFFFAOYSA-N 1 2 371.437 3.241 40 0 FGABLO Cc1nc2cc([C@H]3CC[N@H+](Cc4cccc(F)c4F)C3)[nH]n2c(=O)c1C ZINC000012255340 494218116 /nfs/dbraw/zinc/21/81/16/494218116.db2.gz SCKZRYZATDYQJR-ZDUSSCGKSA-N 1 2 358.392 3.319 40 0 FGABLO Cc1nc2cc([C@H]3CC[N@@H+](Cc4cccc(F)c4F)C3)[nH]n2c(=O)c1C ZINC000012255340 494218118 /nfs/dbraw/zinc/21/81/18/494218118.db2.gz SCKZRYZATDYQJR-ZDUSSCGKSA-N 1 2 358.392 3.319 40 0 FGABLO C[C@@H](CC(=O)c1ccc(Cl)nc1)[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000012649216 494249319 /nfs/dbraw/zinc/24/93/19/494249319.db2.gz RXQWCYRZXJWQSI-ZDUSSCGKSA-N 1 2 367.877 3.249 40 0 FGABLO COc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044908719 494387984 /nfs/dbraw/zinc/38/79/84/494387984.db2.gz RBJJEPMIGNMWEN-MRXNPFEDSA-N 1 2 365.433 3.137 40 0 FGABLO CCN1C(=O)CCC[C@@H]2[C@H]1CCN2c1cc(C)[nH+]c(-c2ccccc2)n1 ZINC000019713274 494456345 /nfs/dbraw/zinc/45/63/45/494456345.db2.gz BNOZWJOEKHSXJH-QZTJIDSGSA-N 1 2 350.466 3.432 40 0 FGABLO Cc1cc(C)c(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c(C)c1 ZINC000057020878 494621578 /nfs/dbraw/zinc/62/15/78/494621578.db2.gz XTVJDMGIEBZHJC-UHFFFAOYSA-N 1 2 355.463 3.276 40 0 FGABLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2csnn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180754599 496132830 /nfs/dbraw/zinc/13/28/30/496132830.db2.gz PSZNBZSLOBLNKO-HIFRSBDPSA-N 1 2 368.865 3.284 40 0 FGABLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2csnn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180754599 496132833 /nfs/dbraw/zinc/13/28/33/496132833.db2.gz PSZNBZSLOBLNKO-HIFRSBDPSA-N 1 2 368.865 3.284 40 0 FGABLO Fc1cccnc1OCC[C@H]1CCOC2(C[NH+](Cc3ccncc3)C2)C1 ZINC000247514841 496877348 /nfs/dbraw/zinc/87/73/48/496877348.db2.gz JOPLJFUEDQGQPE-INIZCTEOSA-N 1 2 357.429 3.066 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCNC(=O)c3ccco3)C2)s1 ZINC000248061799 496949953 /nfs/dbraw/zinc/94/99/53/496949953.db2.gz DEFXRJRVCNZXAR-OAHLLOKOSA-N 1 2 370.478 3.223 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCNC(=O)c3ccco3)C2)s1 ZINC000248061799 496949957 /nfs/dbraw/zinc/94/99/57/496949957.db2.gz DEFXRJRVCNZXAR-OAHLLOKOSA-N 1 2 370.478 3.223 40 0 FGABLO O=C(c1ccc2ncccc2c1)N1Cc2c[nH+]cn2[C@H](COCC2CC2)C1 ZINC000253616718 497346681 /nfs/dbraw/zinc/34/66/81/497346681.db2.gz OKKHUFDMPZTVLH-IBGZPJMESA-N 1 2 362.433 3.055 40 0 FGABLO Cc1cc(C)c(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)c(C)c1 ZINC000329060324 499028855 /nfs/dbraw/zinc/02/88/55/499028855.db2.gz WLOWCKSGBBEQIX-QGZVFWFLSA-N 1 2 362.477 3.449 40 0 FGABLO Cc1cccc(CO[C@@H]2CCOC3(C[NH+](Cc4ccccc4F)C3)C2)n1 ZINC000585105468 507572363 /nfs/dbraw/zinc/57/23/63/507572363.db2.gz XBVFGTUIPJENOZ-LJQANCHMSA-N 1 2 356.441 3.479 40 0 FGABLO CC(=O)Nc1ccc(-c2c[nH+]c3n2CCN(C(=O)C2CCCC2)CC3)cc1 ZINC000585111348 507574040 /nfs/dbraw/zinc/57/40/40/507574040.db2.gz PNWLTCSTIONMNS-UHFFFAOYSA-N 1 2 366.465 3.083 40 0 FGABLO Cc1nc(Nc2ncc(-c3ccccc3)s2)cc([C@H]2COCC[NH2+]2)n1 ZINC000585262871 507582964 /nfs/dbraw/zinc/58/29/64/507582964.db2.gz BGTPEOKSZPDUQL-OAHLLOKOSA-N 1 2 353.451 3.313 40 0 FGABLO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020450948 523042467 /nfs/dbraw/zinc/04/24/67/523042467.db2.gz OHCIGEKLMIKVTD-LJQANCHMSA-N 1 2 353.397 3.485 40 0 FGABLO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cn[nH]c3C)C2)s1 ZINC000257279768 526096666 /nfs/dbraw/zinc/09/66/66/526096666.db2.gz OICHWMRUVAULAI-CQSZACIVSA-N 1 2 369.498 3.396 40 0 FGABLO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cn[nH]c3C)C2)s1 ZINC000257279768 526096675 /nfs/dbraw/zinc/09/66/75/526096675.db2.gz OICHWMRUVAULAI-CQSZACIVSA-N 1 2 369.498 3.396 40 0 FGABLO C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)OCCO2 ZINC000222740533 568558676 /nfs/dbraw/zinc/55/86/76/568558676.db2.gz HPUKCJMREORTGP-OAHLLOKOSA-N 1 2 363.417 3.194 40 0 FGABLO Clc1ccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CC3)n2)cc1 ZINC000328971202 210126792 /nfs/dbraw/zinc/12/67/92/210126792.db2.gz DNYKNSLQTBEXQX-UHFFFAOYSA-N 1 2 351.841 3.222 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000306125407 210048165 /nfs/dbraw/zinc/04/81/65/210048165.db2.gz CPJQCXSRBTXWSX-XLIONFOSSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000306125407 210048168 /nfs/dbraw/zinc/04/81/68/210048168.db2.gz CPJQCXSRBTXWSX-XLIONFOSSA-N 1 2 366.442 3.097 40 0 FGABLO CC1CC[NH+]([C@H](c2nnnn2CCc2ccccc2)c2ccccn2)CC1 ZINC000004925317 219625168 /nfs/dbraw/zinc/62/51/68/219625168.db2.gz ZBSVYZQFGHPURA-FQEVSTJZSA-N 1 2 362.481 3.132 40 0 FGABLO Cc1csc(Nc2nccnc2C2CC[NH+](Cc3cc[nH]n3)CC2)n1 ZINC000257240990 223033601 /nfs/dbraw/zinc/03/36/01/223033601.db2.gz HWDVRQKGIGUMFJ-UHFFFAOYSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1ccccc1Cc1cccc([C@H]2C[N@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257248526 223036613 /nfs/dbraw/zinc/03/66/13/223036613.db2.gz JEAVQUSCJILFNY-JOCHJYFZSA-N 1 2 362.477 3.288 40 0 FGABLO Cc1ccccc1Cc1cccc([C@H]2C[N@@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257248526 223036615 /nfs/dbraw/zinc/03/66/15/223036615.db2.gz JEAVQUSCJILFNY-JOCHJYFZSA-N 1 2 362.477 3.288 40 0 FGABLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257338872 223072004 /nfs/dbraw/zinc/07/20/04/223072004.db2.gz YZGDVGIVQXIXFW-KRWDZBQOSA-N 1 2 370.840 3.479 40 0 FGABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3cccs3)n2)cc1 ZINC000015674706 220158783 /nfs/dbraw/zinc/15/87/83/220158783.db2.gz MHTICMJHURUMQR-CJNGLKHVSA-N 1 2 357.435 3.115 40 0 biogenic,in-vitro FGABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3cccs3)n2)cc1 ZINC000015674706 220158786 /nfs/dbraw/zinc/15/87/86/220158786.db2.gz MHTICMJHURUMQR-CJNGLKHVSA-N 1 2 357.435 3.115 40 0 biogenic,in-vitro FGABLO c1[nH]c2c([nH+]1)C[C@@H](c1nc(-c3ccncc3)no1)N(Cc1ccccc1)C2 ZINC000015675628 220160947 /nfs/dbraw/zinc/16/09/47/220160947.db2.gz KFTDDLQDSKEWFM-SFHVURJKSA-N 1 2 358.405 3.154 40 0 biogenic,in-vitro FGABLO CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000022515253 211353208 /nfs/dbraw/zinc/35/32/08/211353208.db2.gz NBEIYMNPOSJTBZ-HXUWFJFHSA-N 1 2 365.433 3.355 40 0 FGABLO CCn1cc(-c2cc(NCCCOc3ccccc3C)nc(N)[nH+]2)cn1 ZINC000019717986 211249140 /nfs/dbraw/zinc/24/91/40/211249140.db2.gz OXKFXYFJHUYWSC-UHFFFAOYSA-N 1 2 352.442 3.132 40 0 FGABLO CCn1c(C)[nH+]c2cc(NC(=O)c3noc(C)c3Cn3cccn3)ccc21 ZINC000019657721 211243094 /nfs/dbraw/zinc/24/30/94/211243094.db2.gz KZTOBLFCHOLQKX-UHFFFAOYSA-N 1 2 364.409 3.158 40 0 FGABLO CCn1c[nH+]cc1CN(Cc1cccc(OC)c1OC)C[C@H]1CCCO1 ZINC000019578552 211236231 /nfs/dbraw/zinc/23/62/31/211236231.db2.gz IXLXDBGRERUDTA-GOSISDBHSA-N 1 2 359.470 3.101 40 0 FGABLO Cc1csc2c1nc1n(c2=O)CC[N@@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000019240307 211211028 /nfs/dbraw/zinc/21/10/28/211211028.db2.gz UZRBYILCYASKDX-UHFFFAOYSA-N 1 2 361.417 3.103 40 0 FGABLO Cc1csc2c1nc1n(c2=O)CC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000019240307 211211032 /nfs/dbraw/zinc/21/10/32/211211032.db2.gz UZRBYILCYASKDX-UHFFFAOYSA-N 1 2 361.417 3.103 40 0 FGABLO COc1ccc(-c2cccc([C@@H]3CN(Cc4[nH]cc[nH+]4)CCO3)n2)cc1 ZINC000257213206 533182930 /nfs/dbraw/zinc/18/29/30/533182930.db2.gz CGORFUFJCNCAKQ-IBGZPJMESA-N 1 2 350.422 3.054 40 0 FGABLO Cc1ccc([NH+]2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000219856508 132275189 /nfs/dbraw/zinc/27/51/89/132275189.db2.gz JKYRGWHWHIJESC-UHFFFAOYSA-N 1 2 352.434 3.257 40 0 FGABLO COc1ccc(CSCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020237873 263378783 /nfs/dbraw/zinc/37/87/83/263378783.db2.gz XEJUITQZFOVACU-UHFFFAOYSA-N 1 2 370.518 3.273 40 0 FGABLO Cn1cc(C[N@@H+]2CCC[C@H]2c2cncc(Oc3ccc(F)cc3)n2)cn1 ZINC000072384178 494162700 /nfs/dbraw/zinc/16/27/00/494162700.db2.gz RFXMWSXNRXLARY-SFHVURJKSA-N 1 2 353.401 3.479 40 0 FGABLO Cn1cc(C[N@H+]2CCC[C@H]2c2cncc(Oc3ccc(F)cc3)n2)cn1 ZINC000072384178 494162703 /nfs/dbraw/zinc/16/27/03/494162703.db2.gz RFXMWSXNRXLARY-SFHVURJKSA-N 1 2 353.401 3.479 40 0 FGABLO Cc1cccc2cc(C[NH2+]c3ccc(N4CCC[C@H](O)C4)cc3)c(=O)[nH]c12 ZINC000012088297 494202903 /nfs/dbraw/zinc/20/29/03/494202903.db2.gz PQLSZEPYFQNSOZ-FQEVSTJZSA-N 1 2 363.461 3.410 40 0 FGABLO O=C(C[NH+]1CCC(c2ccccc2F)CC1)Nc1ccc2c(c1)OCO2 ZINC000012113940 494204766 /nfs/dbraw/zinc/20/47/66/494204766.db2.gz RAIZXTWRYAJGOI-UHFFFAOYSA-N 1 2 356.397 3.373 40 0 FGABLO COc1ccc(CC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)c(F)c2)cc1 ZINC000012115003 494205162 /nfs/dbraw/zinc/20/51/62/494205162.db2.gz NVFHVPNZFSQKIY-IBGZPJMESA-N 1 2 371.387 3.155 40 0 FGABLO Cn1c[nH+]c2c1[C@@H](COCC1CCCC1)CN(C(=O)[C@H]1CC=CCC1)C2 ZINC000096044969 494998667 /nfs/dbraw/zinc/99/86/67/494998667.db2.gz BCCFDKPLUCLHSN-ZWKOTPCHSA-N 1 2 357.498 3.409 40 0 FGABLO CC(C)n1cc(C[NH+]2CC3(C2)C[C@@H](Oc2ncccc2F)CS3)cn1 ZINC000247982394 496938728 /nfs/dbraw/zinc/93/87/28/496938728.db2.gz HOSJBBIQVHFGKX-OAHLLOKOSA-N 1 2 362.474 3.137 40 0 FGABLO C[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)CCC2 ZINC000223153903 497032632 /nfs/dbraw/zinc/03/26/32/497032632.db2.gz RGUMQVSPKQODOJ-QGZVFWFLSA-N 1 2 364.489 3.499 40 0 FGABLO Cc1cccc(-c2noc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)n2)c1 ZINC000224440574 497050148 /nfs/dbraw/zinc/05/01/48/497050148.db2.gz LBPKBJHHRYBGQO-UHFFFAOYSA-N 1 2 373.416 3.220 40 0 FGABLO CCc1ccccc1NC(=S)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000225221744 497058118 /nfs/dbraw/zinc/05/81/18/497058118.db2.gz APGBGEQTPXOBPC-UHFFFAOYSA-N 1 2 355.507 3.469 40 0 FGABLO CN(C(=O)NCc1cn2c([nH+]1)CCCC2)[C@@H]1CCCN(c2ccccc2)C1 ZINC000265237643 497079170 /nfs/dbraw/zinc/07/91/70/497079170.db2.gz OEGZFPCAFAWVNM-LJQANCHMSA-N 1 2 367.497 3.030 40 0 FGABLO O=C(NCC[NH+]1CCOCC1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408562649 499592246 /nfs/dbraw/zinc/59/22/46/499592246.db2.gz DUXGRYFGLRTQCZ-KNTRCKAVSA-N 1 2 370.880 3.329 40 0 FGABLO Cc1ccccc1C[N@H+]1CCc2oc(C(=O)N(C)C3CC(C)C3)nc2C1 ZINC000585111974 507576607 /nfs/dbraw/zinc/57/66/07/507576607.db2.gz JOKZAEFPBMQFEU-UHFFFAOYSA-N 1 2 353.466 3.412 40 0 FGABLO Cc1ccccc1C[N@@H+]1CCc2oc(C(=O)N(C)C3CC(C)C3)nc2C1 ZINC000585111974 507576615 /nfs/dbraw/zinc/57/66/15/507576615.db2.gz JOKZAEFPBMQFEU-UHFFFAOYSA-N 1 2 353.466 3.412 40 0 FGABLO CNc1cc([C@H]2CCCN(C(=O)c3cc4cccc(F)c4[nH]3)C2)cc[nH+]1 ZINC000585181506 507580127 /nfs/dbraw/zinc/58/01/27/507580127.db2.gz WUHYUPNUQIFQND-HNNXBMFYSA-N 1 2 352.413 3.185 40 0 FGABLO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)N3CC[NH+](C)CC3)c1O)OC2(C)C ZINC000257227415 534201505 /nfs/dbraw/zinc/20/15/05/534201505.db2.gz FPDQILIJIOIVNL-DJIMGWMZSA-N 1 2 372.509 3.471 40 0 FGABLO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020495571 523042908 /nfs/dbraw/zinc/04/29/08/523042908.db2.gz ZFDYQXHWKQROSG-LJQANCHMSA-N 1 2 353.397 3.485 40 0 FGABLO Cc1[nH+]cc(-c2cc(C)nc(CC3CCN(C(=O)C(C)(C)C)CC3)n2)n1C ZINC000257319194 534719927 /nfs/dbraw/zinc/71/99/27/534719927.db2.gz VREZLFAKSMARSK-UHFFFAOYSA-N 1 2 369.513 3.321 40 0 FGABLO O=C(NCCSCc1ccccc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020452727 526372056 /nfs/dbraw/zinc/37/20/56/526372056.db2.gz UGUSFHFMBZWEPE-UHFFFAOYSA-N 1 2 370.518 3.182 40 0 FGABLO O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000216473050 527190157 /nfs/dbraw/zinc/19/01/57/527190157.db2.gz DZNLARRWRFQXFW-UHFFFAOYSA-N 1 2 361.854 3.145 40 0 FGABLO C[C@@H](CO)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329008524 210128970 /nfs/dbraw/zinc/12/89/70/210128970.db2.gz LSGJYMGHBRTZQI-VIFPVBQESA-N 1 2 353.253 3.041 40 0 FGABLO C[C@H](CO)Nc1nc(Nc2c(Cl)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000328966280 210127809 /nfs/dbraw/zinc/12/78/09/210127809.db2.gz CKWOHKYOJZCQBQ-SECBINFHSA-N 1 2 353.253 3.041 40 0 FGABLO COc1ccc(NC(=O)C2CCN(c3nc(C)[nH+]c4c3CCC4)CC2)cc1 ZINC000001350667 219397634 /nfs/dbraw/zinc/39/76/34/219397634.db2.gz XUOGZVOTIHEMFS-UHFFFAOYSA-N 1 2 366.465 3.137 40 0 FGABLO COc1ccc(C2(C(=O)N3CCC[C@H](c4[nH+]c(C)cn4C)C3)CC2)cc1 ZINC000257213818 223022257 /nfs/dbraw/zinc/02/22/57/223022257.db2.gz CJEMTCGTPKFPMJ-INIZCTEOSA-N 1 2 353.466 3.175 40 0 FGABLO Cc1cc(NC2CC3(C2)CCN(C(=O)c2cc(C(C)C)no2)C3)nc[nH+]1 ZINC000257232252 223030919 /nfs/dbraw/zinc/03/09/19/223030919.db2.gz GJZKVEBBPKQEEF-UHFFFAOYSA-N 1 2 355.442 3.003 40 0 FGABLO Cc1nnc(Nc2cc([C@H]3CCCCN3Cc3[nH]cc[nH+]3)nc(C)n2)s1 ZINC000257284377 223049781 /nfs/dbraw/zinc/04/97/81/223049781.db2.gz PCLBSNDNCPMLGK-CQSZACIVSA-N 1 2 370.486 3.139 40 0 FGABLO Cc1cc(C)n(CCCC(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)n1 ZINC000257325642 223067309 /nfs/dbraw/zinc/06/73/09/223067309.db2.gz WTULWYWHWIYWQL-SFHVURJKSA-N 1 2 355.486 3.105 40 0 FGABLO Cc1ccc(C)c(NC(=O)Cn2c[nH+]c3cc4c(cc32)OCCCO4)c1 ZINC000014000655 220101046 /nfs/dbraw/zinc/10/10/46/220101046.db2.gz JBFYWFBOGPCZNH-UHFFFAOYSA-N 1 2 351.406 3.453 40 0 FGABLO O=C(NCCCN1CCc2ccccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044907343 211807523 /nfs/dbraw/zinc/80/75/23/211807523.db2.gz QBAPLGBIGZUUMN-UHFFFAOYSA-N 1 2 360.461 3.114 40 0 FGABLO CCOC1CC[NH+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000019716005 211249436 /nfs/dbraw/zinc/24/94/36/211249436.db2.gz SWWLKRRZQXJSAW-UHFFFAOYSA-N 1 2 363.458 3.389 40 0 FGABLO CCn1c(C)[nH+]c2cc(NS(=O)(=O)c3cc(F)ccc3OC)ccc21 ZINC000019656613 211242186 /nfs/dbraw/zinc/24/21/86/211242186.db2.gz QRMBFCCVOFAAIB-UHFFFAOYSA-N 1 2 363.414 3.313 40 0 FGABLO Fc1ccc(F)c(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)c1 ZINC000019293040 211214475 /nfs/dbraw/zinc/21/44/75/211214475.db2.gz YUMVTGGPKWLPNI-UHFFFAOYSA-N 1 2 361.436 3.084 40 0 FGABLO Fc1ccc(F)c(C[N@@H+](CCCN2CCOCC2)Cc2ccncc2)c1 ZINC000019293040 211214483 /nfs/dbraw/zinc/21/44/83/211214483.db2.gz YUMVTGGPKWLPNI-UHFFFAOYSA-N 1 2 361.436 3.084 40 0 FGABLO CNc1cc([C@H]2CCCN2C(=O)c2ccnc(N3CCCC3)c2)cc[nH+]1 ZINC000257252829 533055178 /nfs/dbraw/zinc/05/51/78/533055178.db2.gz JWGAKWXDKVWJDC-QGZVFWFLSA-N 1 2 351.454 3.096 40 0 FGABLO CC(C)N1C[NH+]=C2N[C@H]([C@H]3CC=CCC3)n3c4ccccc4nc3N2C1 ZINC000020556161 220333533 /nfs/dbraw/zinc/33/35/33/220333533.db2.gz WLPPVRIIWXMKSQ-YJBOKZPZSA-N 1 2 350.470 3.296 40 0 FGABLO COc1cc2c(cc1OC)CN(c1cc(NC3CCCC3)[nH+]cn1)CC2 ZINC000243381422 132250114 /nfs/dbraw/zinc/25/01/14/132250114.db2.gz MGYMUYMLSKSAGY-UHFFFAOYSA-N 1 2 354.454 3.411 40 0 FGABLO COc1cc2c(cc1OC)CN(c1cc(NC3CCCC3)nc[nH+]1)CC2 ZINC000243381422 132250115 /nfs/dbraw/zinc/25/01/15/132250115.db2.gz MGYMUYMLSKSAGY-UHFFFAOYSA-N 1 2 354.454 3.411 40 0 FGABLO CCn1cc2c(n1)C[N@@H+](Cc1ccc(OC)cc1)C[C@@H]2COCC1CC1 ZINC000096060432 222007972 /nfs/dbraw/zinc/00/79/72/222007972.db2.gz YBWXPKUZOXESGB-GOSISDBHSA-N 1 2 355.482 3.438 40 0 FGABLO CCn1cc2c(n1)C[N@H+](Cc1ccc(OC)cc1)C[C@@H]2COCC1CC1 ZINC000096060432 222007976 /nfs/dbraw/zinc/00/79/76/222007976.db2.gz YBWXPKUZOXESGB-GOSISDBHSA-N 1 2 355.482 3.438 40 0 FGABLO CCOC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2csc3ccccc23)C1 ZINC000096206993 222077140 /nfs/dbraw/zinc/07/71/40/222077140.db2.gz PXLDDVJHZMCGKS-CQSZACIVSA-N 1 2 355.463 3.407 40 0 FGABLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)ccc1O ZINC000072336909 494154057 /nfs/dbraw/zinc/15/40/57/494154057.db2.gz LMEMBXYJRQATAZ-ZBFHGGJFSA-N 1 2 350.422 3.014 40 0 FGABLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)ccc1O ZINC000072336909 494154061 /nfs/dbraw/zinc/15/40/61/494154061.db2.gz LMEMBXYJRQATAZ-ZBFHGGJFSA-N 1 2 350.422 3.014 40 0 FGABLO Cc1nc(Nc2nncs2)cc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072360211 494158161 /nfs/dbraw/zinc/15/81/61/494158161.db2.gz OFBPODOPESRMCR-HNNXBMFYSA-N 1 2 353.455 3.112 40 0 FGABLO Cc1nc(Nc2nncs2)cc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072360211 494158163 /nfs/dbraw/zinc/15/81/63/494158163.db2.gz OFBPODOPESRMCR-HNNXBMFYSA-N 1 2 353.455 3.112 40 0 FGABLO Cc1ccc2cc(C[NH2+]c3ccc(N4CCC[C@@H](O)C4)cc3)c(=O)[nH]c2c1 ZINC000012088298 494202711 /nfs/dbraw/zinc/20/27/11/494202711.db2.gz FAVVSXHFDDJBAQ-HXUWFJFHSA-N 1 2 363.461 3.410 40 0 FGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCc2ccccc2F)C1 ZINC000012116434 494205930 /nfs/dbraw/zinc/20/59/30/494205930.db2.gz ATIMZOCNXGNXQA-MRXNPFEDSA-N 1 2 366.440 3.245 40 0 FGABLO O=C1CCCN1C[C@@H]1C[N@H+](Cc2cccc3ccccc32)Cc2cncn21 ZINC000247847289 496921049 /nfs/dbraw/zinc/92/10/49/496921049.db2.gz FECIAKJZYZVZFO-FQEVSTJZSA-N 1 2 360.461 3.216 40 0 FGABLO O=C1CCCN1C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2cncn21 ZINC000247847289 496921053 /nfs/dbraw/zinc/92/10/53/496921053.db2.gz FECIAKJZYZVZFO-FQEVSTJZSA-N 1 2 360.461 3.216 40 0 FGABLO O=C1CCCN1C[C@@H]1CN(Cc2cccc3ccccc32)Cc2c[nH+]cn21 ZINC000247847289 496921058 /nfs/dbraw/zinc/92/10/58/496921058.db2.gz FECIAKJZYZVZFO-FQEVSTJZSA-N 1 2 360.461 3.216 40 0 FGABLO Cc1cc(C)c(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C ZINC000225651903 497071056 /nfs/dbraw/zinc/07/10/56/497071056.db2.gz CXAZJGGQVCSQGN-UHFFFAOYSA-N 1 2 352.478 3.374 40 0 FGABLO Clc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3COCC2CCOCC2)cc1 ZINC000253489445 497336174 /nfs/dbraw/zinc/33/61/74/497336174.db2.gz FGNRUCPXHYGYLE-GOSISDBHSA-N 1 2 365.901 3.374 40 0 FGABLO CCc1cccc(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329045429 499023890 /nfs/dbraw/zinc/02/38/90/499023890.db2.gz TUWOALADYHANJC-INIZCTEOSA-N 1 2 362.477 3.395 40 0 FGABLO COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CC[N@H+](C)C2 ZINC000408564330 499592219 /nfs/dbraw/zinc/59/22/19/499592219.db2.gz WDOZDJUQEGYZDK-UHFFFAOYSA-N 1 2 364.854 3.428 40 0 FGABLO COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CC[N@@H+](C)C2 ZINC000408564330 499592221 /nfs/dbraw/zinc/59/22/21/499592221.db2.gz WDOZDJUQEGYZDK-UHFFFAOYSA-N 1 2 364.854 3.428 40 0 FGABLO COC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408577326 499592378 /nfs/dbraw/zinc/59/23/78/499592378.db2.gz YOINDSLSUAJCKV-UHFFFAOYSA-N 1 2 361.492 3.332 40 0 FGABLO COC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408577326 499592381 /nfs/dbraw/zinc/59/23/81/499592381.db2.gz YOINDSLSUAJCKV-UHFFFAOYSA-N 1 2 361.492 3.332 40 0 FGABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(C(=O)CC(C)(C)C)C3)n2)n1C ZINC000257200825 534723130 /nfs/dbraw/zinc/72/31/30/534723130.db2.gz AFBAQXNUHUFWEL-MRXNPFEDSA-N 1 2 369.513 3.403 40 0 FGABLO CC(C)Nc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)C3CCC3)C2)cc[nH+]1 ZINC000257328408 527759898 /nfs/dbraw/zinc/75/98/98/527759898.db2.gz XFNGYSYOAGPJAV-MRXNPFEDSA-N 1 2 353.470 3.408 40 0 FGABLO CSc1cccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)c1 ZINC000329037939 210133351 /nfs/dbraw/zinc/13/33/51/210133351.db2.gz RPSAHXIDMAXNEM-CQSZACIVSA-N 1 2 366.490 3.246 40 0 FGABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000306130880 210052240 /nfs/dbraw/zinc/05/22/40/210052240.db2.gz JRTOXQNYQLDZDW-ICSRJNTNSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000306130880 210052245 /nfs/dbraw/zinc/05/22/45/210052245.db2.gz JRTOXQNYQLDZDW-ICSRJNTNSA-N 1 2 366.442 3.097 40 0 FGABLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257239911 223033238 /nfs/dbraw/zinc/03/32/38/223033238.db2.gz HRIKVMWNGQJMTJ-KRWDZBQOSA-N 1 2 370.840 3.479 40 0 FGABLO CCCCOc1ccc2[nH]c(C)c(C[NH+]3CCN(CC)CC3)c(=O)c2c1 ZINC000022469067 211352994 /nfs/dbraw/zinc/35/29/94/211352994.db2.gz DIVNHEABHKFJLY-UHFFFAOYSA-N 1 2 357.498 3.153 40 0 FGABLO COc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@H](O)c1cc(F)ccc1OC)CC3 ZINC000019563340 211234139 /nfs/dbraw/zinc/23/41/39/211234139.db2.gz GTJXCMGMPDFTGE-FQEVSTJZSA-N 1 2 370.424 3.416 40 0 FGABLO COc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@H](O)c1cc(F)ccc1OC)CC3 ZINC000019563340 211234144 /nfs/dbraw/zinc/23/41/44/211234144.db2.gz GTJXCMGMPDFTGE-FQEVSTJZSA-N 1 2 370.424 3.416 40 0 FGABLO Cc1csc2c([C@H]3CCCN(C(=O)CCn4cc[nH+]c4)C3)nc(C)n12 ZINC000019240417 211212290 /nfs/dbraw/zinc/21/22/90/211212290.db2.gz KLLRMZUTINKWHJ-HNNXBMFYSA-N 1 2 357.483 3.005 40 0 FGABLO O=C([C@@H]1C[C@@H]2C=C[C@H]1C2)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000019335969 211216396 /nfs/dbraw/zinc/21/63/96/211216396.db2.gz VCFRMKQRMVNVQR-JTDSTZFVSA-N 1 2 360.885 3.075 40 0 FGABLO CN(C)c1ccccc1CN1CCC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000019319560 211213904 /nfs/dbraw/zinc/21/39/04/211213904.db2.gz COKOARYSEXZQDP-UHFFFAOYSA-N 1 2 352.526 3.484 40 0 FGABLO CN(C)c1ccccc1CN1CCC[N@H+](Cc2ccccc2N(C)C)C1 ZINC000019319560 211213902 /nfs/dbraw/zinc/21/39/02/211213902.db2.gz COKOARYSEXZQDP-UHFFFAOYSA-N 1 2 352.526 3.484 40 0 FGABLO COc1ccccc1[C@@H](C)NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000018086207 211191017 /nfs/dbraw/zinc/19/10/17/211191017.db2.gz XKTVZLHYUONBSS-MRXNPFEDSA-N 1 2 354.450 3.018 40 0 FGABLO COc1cccc(OCCc2cc([C@@H]3C[N@H+](CC(C)C)CCO3)n[nH]2)c1 ZINC000257251747 533666636 /nfs/dbraw/zinc/66/66/36/533666636.db2.gz JSBNEPRZNLSNGD-FQEVSTJZSA-N 1 2 359.470 3.069 40 0 FGABLO COc1cccc(OCCc2cc([C@@H]3C[N@@H+](CC(C)C)CCO3)n[nH]2)c1 ZINC000257251747 533666647 /nfs/dbraw/zinc/66/66/47/533666647.db2.gz JSBNEPRZNLSNGD-FQEVSTJZSA-N 1 2 359.470 3.069 40 0 FGABLO c1csc(C[N@H+]2Cc3nccn3C[C@H](COCc3ccccn3)C2)c1 ZINC000096059158 222008015 /nfs/dbraw/zinc/00/80/15/222008015.db2.gz LSADPNAHFJSGIG-MRXNPFEDSA-N 1 2 354.479 3.188 40 0 FGABLO c1csc(C[N@@H+]2Cc3nccn3C[C@H](COCc3ccccn3)C2)c1 ZINC000096059158 222008017 /nfs/dbraw/zinc/00/80/17/222008017.db2.gz LSADPNAHFJSGIG-MRXNPFEDSA-N 1 2 354.479 3.188 40 0 FGABLO Fc1ccc(CN2CCOC[C@]3(CC[N@H+](Cc4nccs4)C3)C2)cc1 ZINC000096062432 222009690 /nfs/dbraw/zinc/00/96/90/222009690.db2.gz ACCIQITVOKZIPE-IBGZPJMESA-N 1 2 361.486 3.007 40 0 FGABLO Fc1ccc(CN2CCOC[C@]3(CC[N@@H+](Cc4nccs4)C3)C2)cc1 ZINC000096062432 222009694 /nfs/dbraw/zinc/00/96/94/222009694.db2.gz ACCIQITVOKZIPE-IBGZPJMESA-N 1 2 361.486 3.007 40 0 FGABLO Fc1ccc(COc2ccc(C(=S)NCC[NH+]3CCOCC3)cc2)cc1 ZINC000408573817 263474240 /nfs/dbraw/zinc/47/42/40/263474240.db2.gz KTYONCTZAMQXEQ-UHFFFAOYSA-N 1 2 374.481 3.002 40 0 FGABLO Cn1cc[nH+]c1CN1[C@@H]2CC[C@H]1c1cnc3cc(C(C)(C)C)nn3c1C2 ZINC000072337377 494153737 /nfs/dbraw/zinc/15/37/37/494153737.db2.gz QINLSMGFAFEKLJ-HIFRSBDPSA-N 1 2 350.470 3.022 40 0 FGABLO O=C(Cn1c(-c2cccs2)cc2cccnc21)NCCCn1cc[nH+]c1 ZINC000012147113 494208840 /nfs/dbraw/zinc/20/88/40/494208840.db2.gz NXIBOGCRALKUHK-UHFFFAOYSA-N 1 2 365.462 3.168 40 0 FGABLO C[C@@H](C[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1ccc(Cl)nc1 ZINC000012649209 494249098 /nfs/dbraw/zinc/24/90/98/494249098.db2.gz FYLGAYNTYMYBBH-ZDUSSCGKSA-N 1 2 367.877 3.107 40 0 FGABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccc(O)cc3)[nH]2)cc1OCC ZINC000095534530 494989750 /nfs/dbraw/zinc/98/97/50/494989750.db2.gz CCYRGKVBZGMAKP-KRWDZBQOSA-N 1 2 354.410 3.023 40 0 FGABLO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccc(O)cc3)n[nH]2)cc1OCC ZINC000095534530 494989755 /nfs/dbraw/zinc/98/97/55/494989755.db2.gz CCYRGKVBZGMAKP-KRWDZBQOSA-N 1 2 354.410 3.023 40 0 FGABLO O=C(Cc1cccc(Br)c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000125150929 495398156 /nfs/dbraw/zinc/39/81/56/495398156.db2.gz GDTMMQFXDRISON-UHFFFAOYSA-N 1 2 370.250 3.494 40 0 FGABLO COc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000137817077 495451739 /nfs/dbraw/zinc/45/17/39/495451739.db2.gz QMNHFSFFCHOGOR-UHFFFAOYSA-N 1 2 368.462 3.376 40 0 FGABLO COc1ccccc1C[NH+]1CC2(C1)C[C@@H](OCc1cnccc1C)CCO2 ZINC000247851860 496921493 /nfs/dbraw/zinc/92/14/93/496921493.db2.gz WAUYOEXIRGJGTR-FQEVSTJZSA-N 1 2 368.477 3.349 40 0 FGABLO CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000216440283 496989986 /nfs/dbraw/zinc/98/99/86/496989986.db2.gz WUZNAWMNFHOHTL-FQEVSTJZSA-N 1 2 365.433 3.355 40 0 FGABLO Cc1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C ZINC000223686308 497041804 /nfs/dbraw/zinc/04/18/04/497041804.db2.gz UEDOAOMIEOBOGC-UHFFFAOYSA-N 1 2 366.505 3.385 40 0 FGABLO COC(=O)c1c(NC(=O)/C=C/c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408564304 499592224 /nfs/dbraw/zinc/59/22/24/499592224.db2.gz VMDRNBKLLSCOBC-CMDGGOBGSA-N 1 2 370.474 3.483 40 0 FGABLO COC(=O)c1c(NC(=O)/C=C/c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408564304 499592225 /nfs/dbraw/zinc/59/22/25/499592225.db2.gz VMDRNBKLLSCOBC-CMDGGOBGSA-N 1 2 370.474 3.483 40 0 FGABLO O=C(c1cscn1)N1Cc2cccn2C[C@H](CCNc2cccc[nH+]2)C1 ZINC000585095531 507566553 /nfs/dbraw/zinc/56/65/53/507566553.db2.gz VJCZXTSDEPTKIN-HNNXBMFYSA-N 1 2 367.478 3.114 40 0 FGABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)n2)n1C ZINC000257337333 534722398 /nfs/dbraw/zinc/72/23/98/534722398.db2.gz YSKDRVLZYMNCHT-HNNXBMFYSA-N 1 2 355.486 3.013 40 0 FGABLO COc1ccc([C@@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000020042635 525143316 /nfs/dbraw/zinc/14/33/16/525143316.db2.gz IYJJSGLPXGADLA-MRXNPFEDSA-N 1 2 354.450 3.018 40 0 FGABLO COc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000020486112 525315252 /nfs/dbraw/zinc/31/52/52/525315252.db2.gz DJAIBCYVUQHRAT-INIZCTEOSA-N 1 2 354.450 3.018 40 0 FGABLO OCCCNc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329039143 210133743 /nfs/dbraw/zinc/13/37/43/210133743.db2.gz RWDCKHANDZDOTJ-UHFFFAOYSA-N 1 2 372.831 3.318 40 0 FGABLO Cc1cccc(Cl)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](C)CO)n1 ZINC000329013596 210131732 /nfs/dbraw/zinc/13/17/32/210131732.db2.gz MQZRZOGOCWCEFG-CQSZACIVSA-N 1 2 368.868 3.486 40 0 FGABLO OCCCNc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328981146 210129170 /nfs/dbraw/zinc/12/91/70/210129170.db2.gz GRDWCEBEHOKGNS-UHFFFAOYSA-N 1 2 368.868 3.047 40 0 FGABLO OCCCNc1nc(Nc2ccc(Cl)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329005850 210129239 /nfs/dbraw/zinc/12/92/39/210129239.db2.gz KZLRMCVSDKJLIA-UHFFFAOYSA-N 1 2 353.253 3.043 40 0 FGABLO CC[C@H](C)Nc1nc(NCc2ccc(F)cc2)cc(-c2ccncc2)[nH+]1 ZINC000328967584 210127207 /nfs/dbraw/zinc/12/72/07/210127207.db2.gz CVWYZYUQAPRLDK-AWEZNQCLSA-N 1 2 351.429 3.344 40 0 FGABLO O=C(c1ccccn1)N1CCC2(Cc3[nH+]cc(-c4ccccc4)n3C2)CC1 ZINC000306140824 210058251 /nfs/dbraw/zinc/05/82/51/210058251.db2.gz VERAJBGDBLPTTQ-UHFFFAOYSA-N 1 2 358.445 3.424 40 0 FGABLO O=C(c1ccco1)N1CC[C@@]2(Cc3[nH+]cc(-c4ccc(F)cc4)n3C2)C1 ZINC000306128880 210052199 /nfs/dbraw/zinc/05/21/99/210052199.db2.gz HNKYWPADIDBQSN-HXUWFJFHSA-N 1 2 351.381 3.371 40 0 FGABLO Cc1csc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000257231874 223030452 /nfs/dbraw/zinc/03/04/52/223030452.db2.gz GIMSRIYNCNNBAD-ZDUSSCGKSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1csc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000257231874 223030456 /nfs/dbraw/zinc/03/04/56/223030456.db2.gz GIMSRIYNCNNBAD-ZDUSSCGKSA-N 1 2 355.471 3.088 40 0 FGABLO CCn1nc(C2CC2)cc1C(=O)N1CCC[C@@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257242858 223034735 /nfs/dbraw/zinc/03/47/35/223034735.db2.gz IEMHOPRZSBHRFX-QGZVFWFLSA-N 1 2 353.470 3.219 40 0 FGABLO Oc1cccc2c1OC1(CC[NH+](Cc3ncc[nH]3)CC1)[C@H]1CCCO[C@H]21 ZINC000257289572 223052825 /nfs/dbraw/zinc/05/28/25/223052825.db2.gz PZGIBCJSKWZOOO-MAUKXSAKSA-N 1 2 355.438 3.010 40 0 FGABLO Oc1cccc2c1OC1(CCN(Cc3[nH]cc[nH+]3)CC1)[C@H]1CCCO[C@H]21 ZINC000257289572 223052828 /nfs/dbraw/zinc/05/28/28/223052828.db2.gz PZGIBCJSKWZOOO-MAUKXSAKSA-N 1 2 355.438 3.010 40 0 FGABLO C[N@@H+]1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530095 220002782 /nfs/dbraw/zinc/00/27/82/220002782.db2.gz LVUJYZXNBYQYKZ-IRXDYDNUSA-N 1 2 363.421 3.304 40 0 biogenic,in-vitro FGABLO C[N@H+]1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530095 220002784 /nfs/dbraw/zinc/00/27/84/220002784.db2.gz LVUJYZXNBYQYKZ-IRXDYDNUSA-N 1 2 363.421 3.304 40 0 biogenic,in-vitro FGABLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000015674375 220158830 /nfs/dbraw/zinc/15/88/30/220158830.db2.gz ZBNXYOQZYGMQGT-MSOLQXFVSA-N 1 2 353.397 3.492 40 0 biogenic,in-vitro FGABLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000015674375 220158832 /nfs/dbraw/zinc/15/88/32/220158832.db2.gz ZBNXYOQZYGMQGT-MSOLQXFVSA-N 1 2 353.397 3.492 40 0 biogenic,in-vitro FGABLO O=C(N[C@@H]1CCCc2ccccc21)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000022515778 211353384 /nfs/dbraw/zinc/35/33/84/211353384.db2.gz NIKNZLKRIVXCIB-OAQYLSRUSA-N 1 2 350.462 3.326 40 0 FGABLO Cc1ccn(CCNc2cc([C@@H](C)Cn3nc(C)c(C)c3C)[nH+]c(C)n2)n1 ZINC000019718037 211249894 /nfs/dbraw/zinc/24/98/94/211249894.db2.gz BTQPESRMCKCDLO-ZDUSSCGKSA-N 1 2 367.501 3.328 40 0 FGABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@H](c2ccccc2)C1 ZINC000019714179 211247750 /nfs/dbraw/zinc/24/77/50/211247750.db2.gz GNAPOZLMKFZLTN-IBGZPJMESA-N 1 2 350.462 3.149 40 0 FGABLO C[C@H](Cn1cncn1)C(=O)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000019457910 211222980 /nfs/dbraw/zinc/22/29/80/211222980.db2.gz BQJRBSSBWGOKHY-OAHLLOKOSA-N 1 2 374.448 3.214 40 0 FGABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3ccc(Cl)nc3)[C@@H](C)C2)c1 ZINC000019575620 211235268 /nfs/dbraw/zinc/23/52/68/211235268.db2.gz VYWNXPFJRNHADK-AWEZNQCLSA-N 1 2 359.857 3.090 40 0 FGABLO COc1cccc(C[N@H+]2CCN(C(=O)c3ccc(Cl)nc3)[C@@H](C)C2)c1 ZINC000019575620 211235273 /nfs/dbraw/zinc/23/52/73/211235273.db2.gz VYWNXPFJRNHADK-AWEZNQCLSA-N 1 2 359.857 3.090 40 0 FGABLO CNc1cc([C@H]2CCCN2C(=O)c2cc(C)nc3onc(C)c32)cc[nH+]1 ZINC000257283906 533055450 /nfs/dbraw/zinc/05/54/50/533055450.db2.gz PALDJXULFNEKAY-OAHLLOKOSA-N 1 2 351.410 3.254 40 0 FGABLO CNc1cccc([C@H]2C[N@H+](Cc3cc4cc(OC)ccc4[nH]3)CCO2)n1 ZINC000257202324 533065395 /nfs/dbraw/zinc/06/53/95/533065395.db2.gz ALHCBZOXODNTSO-LJQANCHMSA-N 1 2 352.438 3.187 40 0 FGABLO CNc1cccc([C@H]2C[N@@H+](Cc3cc4cc(OC)ccc4[nH]3)CCO2)n1 ZINC000257202324 533065401 /nfs/dbraw/zinc/06/54/01/533065401.db2.gz ALHCBZOXODNTSO-LJQANCHMSA-N 1 2 352.438 3.187 40 0 FGABLO COc1ccc2[nH]cc(C(=O)N3CCC[C@@H](c4[nH+]c(C)cn4C)C3)c2c1 ZINC000257281780 533235909 /nfs/dbraw/zinc/23/59/09/533235909.db2.gz OQZMKUADQGSBFP-CQSZACIVSA-N 1 2 352.438 3.238 40 0 FGABLO Cc1cccc(N2CC[NH+]([C@H](c3nnnn3C(C)C)C(C)C)CC2)c1C ZINC000057670152 136129877 /nfs/dbraw/zinc/12/98/77/136129877.db2.gz AADLOCVPNVPKCJ-IBGZPJMESA-N 1 2 356.518 3.390 40 0 FGABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057669910 136129916 /nfs/dbraw/zinc/12/99/16/136129916.db2.gz OWSOUICQFOQTLZ-SFHVURJKSA-N 1 2 374.508 3.477 40 0 FGABLO FC(F)(F)c1ccc(O[C@H]2COCC[N@H+](Cc3nccs3)C2)cc1 ZINC000096113169 222030480 /nfs/dbraw/zinc/03/04/80/222030480.db2.gz HCYBGBMACOVLEP-CQSZACIVSA-N 1 2 358.385 3.442 40 0 biogenic,in-vitro FGABLO FC(F)(F)c1ccc(O[C@H]2COCC[N@@H+](Cc3nccs3)C2)cc1 ZINC000096113169 222030483 /nfs/dbraw/zinc/03/04/83/222030483.db2.gz HCYBGBMACOVLEP-CQSZACIVSA-N 1 2 358.385 3.442 40 0 biogenic,in-vitro FGABLO CCc1cc(=O)n2[nH]c([C@H]3CC[N@H+](Cc4cccc(C)c4OC)C3)cc2n1 ZINC000100742495 222250846 /nfs/dbraw/zinc/25/08/46/222250846.db2.gz KBSKZVMQMYQEPD-HNNXBMFYSA-N 1 2 366.465 3.304 40 0 FGABLO CCc1cc(=O)n2[nH]c([C@H]3CC[N@@H+](Cc4cccc(C)c4OC)C3)cc2n1 ZINC000100742495 222250850 /nfs/dbraw/zinc/25/08/50/222250850.db2.gz KBSKZVMQMYQEPD-HNNXBMFYSA-N 1 2 366.465 3.304 40 0 FGABLO Cc1cc(N2CCOCC2)nc(S[C@@H]2C(=O)[C@H]3CC[C@]2(C)C3(C)C)[nH+]1 ZINC000005537666 493934576 /nfs/dbraw/zinc/93/45/76/493934576.db2.gz FFPVREYATZYAAW-NRXGSXMXSA-N 1 2 361.511 3.108 40 0 FGABLO O=C1N(Cc2ccccc2)C[C@H]2C[N@H+](Cc3ccccc3Cl)CCN12 ZINC000085436169 494125036 /nfs/dbraw/zinc/12/50/36/494125036.db2.gz WEGHGSVERYHSCG-GOSISDBHSA-N 1 2 355.869 3.462 40 0 biogenic,in-vitro FGABLO O=C1N(Cc2ccccc2)C[C@H]2C[N@@H+](Cc3ccccc3Cl)CCN12 ZINC000085436169 494125039 /nfs/dbraw/zinc/12/50/39/494125039.db2.gz WEGHGSVERYHSCG-GOSISDBHSA-N 1 2 355.869 3.462 40 0 biogenic,in-vitro FGABLO Fc1ccc(OCCc2cc([C@@H]3CC[N@H+](Cc4ncc[nH]4)C3)n[nH]2)cc1F ZINC000072371673 494160012 /nfs/dbraw/zinc/16/00/12/494160012.db2.gz RRRBEHANOQSEKW-CYBMUJFWSA-N 1 2 373.407 3.022 40 0 FGABLO Fc1ccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4ncc[nH]4)C3)n[nH]2)cc1F ZINC000072371673 494160013 /nfs/dbraw/zinc/16/00/13/494160013.db2.gz RRRBEHANOQSEKW-CYBMUJFWSA-N 1 2 373.407 3.022 40 0 FGABLO CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)c2ccncc2)n1 ZINC000072378415 494160485 /nfs/dbraw/zinc/16/04/85/494160485.db2.gz KXFHXAFSAAEWQN-KRWDZBQOSA-N 1 2 362.437 3.158 40 0 FGABLO COc1ncccc1CN1Cc2c[nH+]cn2[C@H](COCC2CCCC2)C1 ZINC000247904107 496926963 /nfs/dbraw/zinc/92/69/63/496926963.db2.gz WSGPHPQLRULAOQ-IBGZPJMESA-N 1 2 356.470 3.050 40 0 FGABLO COC(=O)c1cc2cc(NC(=S)NCCCn3cc[nH+]c3)ccc2s1 ZINC000225213669 497058496 /nfs/dbraw/zinc/05/84/96/497058496.db2.gz RJEQHTQUDDLBET-UHFFFAOYSA-N 1 2 374.491 3.261 40 0 FGABLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@]2(C)CCCc3ccccc32)C1 ZINC000332789931 498793751 /nfs/dbraw/zinc/79/37/51/498793751.db2.gz UABVGGITMZQSOC-UWJYYQICSA-N 1 2 352.482 3.213 40 0 FGABLO Cc1cnc([C@H]2CCCN(C(=O)Cc3c(C)[nH+]c4ccccn43)C2)s1 ZINC000257202792 534663567 /nfs/dbraw/zinc/66/35/67/534663567.db2.gz ANLDCCGYMFGTCI-HNNXBMFYSA-N 1 2 354.479 3.356 40 0 FGABLO COc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000020486110 525141389 /nfs/dbraw/zinc/14/13/89/525141389.db2.gz DJAIBCYVUQHRAT-MRXNPFEDSA-N 1 2 354.450 3.018 40 0 FGABLO CC(C)CCn1nnnc1[C@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000057671652 534994350 /nfs/dbraw/zinc/99/43/50/534994350.db2.gz SIXIKSJAVVMWAF-IBGZPJMESA-N 1 2 356.518 3.239 40 0 FGABLO CC(C)[C@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057669594 535169834 /nfs/dbraw/zinc/16/98/34/535169834.db2.gz FWRJJFLRKJAGPR-LJQANCHMSA-N 1 2 354.502 3.308 40 0 FGABLO C[C@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329057802 210132263 /nfs/dbraw/zinc/13/22/63/210132263.db2.gz VZONBIHRFKOBKK-CQSZACIVSA-N 1 2 368.868 3.046 40 0 FGABLO CC(C)[C@@H](CO)Nc1nc(NCc2cccnc2)cc(-c2ccccc2)[nH+]1 ZINC000328987625 210129467 /nfs/dbraw/zinc/12/94/67/210129467.db2.gz IBYVQEKDRBTCEZ-LJQANCHMSA-N 1 2 363.465 3.001 40 0 FGABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000306130879 210051115 /nfs/dbraw/zinc/05/11/15/210051115.db2.gz JRTOXQNYQLDZDW-AZUAARDMSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000306130879 210051118 /nfs/dbraw/zinc/05/11/18/210051118.db2.gz JRTOXQNYQLDZDW-AZUAARDMSA-N 1 2 366.442 3.097 40 0 FGABLO O=C(Cc1ccco1)N1CC[C@]2(Cc3[nH+]cc(-c4ccc(F)cc4)n3C2)C1 ZINC000306127518 210050635 /nfs/dbraw/zinc/05/06/35/210050635.db2.gz GANOYWBGYSMEQP-NRFANRHFSA-N 1 2 365.408 3.300 40 0 FGABLO Cc1c[nH+]c2n1C[C@H](c1ccccc1)N(C(=O)Cc1c(C)noc1C)C2 ZINC000257242432 223034522 /nfs/dbraw/zinc/03/45/22/223034522.db2.gz ICLWJPRIQWWYDC-GOSISDBHSA-N 1 2 350.422 3.123 40 0 FGABLO Cc1csc(Nc2nccnc2C2CC[NH+](Cc3c[nH]cn3)CC2)n1 ZINC000257246811 223036542 /nfs/dbraw/zinc/03/65/42/223036542.db2.gz IVXZXDJIBHNVDW-UHFFFAOYSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1csc(Nc2nccnc2C2CC[NH+](Cc3cnc[nH]3)CC2)n1 ZINC000257246811 223036546 /nfs/dbraw/zinc/03/65/46/223036546.db2.gz IVXZXDJIBHNVDW-UHFFFAOYSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1cccc(Nc2nccnc2C2CC[NH+](Cc3nccn3C)CC2)n1 ZINC000257266627 223043933 /nfs/dbraw/zinc/04/39/33/223043933.db2.gz MDUIQBGSLXRJGX-UHFFFAOYSA-N 1 2 363.469 3.037 40 0 FGABLO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000257342308 223073495 /nfs/dbraw/zinc/07/34/95/223073495.db2.gz ZOCAGMHBXGCWET-MRXNPFEDSA-N 1 2 363.469 3.037 40 0 FGABLO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000257342308 223073496 /nfs/dbraw/zinc/07/34/96/223073496.db2.gz ZOCAGMHBXGCWET-MRXNPFEDSA-N 1 2 363.469 3.037 40 0 FGABLO O=c1c2ccccc2nc(SCC[NH+]2CCOCC2)n1C1CCCCC1 ZINC000019375891 220254499 /nfs/dbraw/zinc/25/44/99/220254499.db2.gz LERQTDGGNHLULH-UHFFFAOYSA-N 1 2 373.522 3.326 40 0 FGABLO CC(C)N1C[NH+]=C2N[C@@H](c3cccs3)n3c4ccccc4nc3N2C1 ZINC000020676334 211292963 /nfs/dbraw/zinc/29/29/63/211292963.db2.gz NHNHFSFHQHFELV-MRXNPFEDSA-N 1 2 352.467 3.049 40 0 FGABLO CC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)[NH+]1CCSCC1 ZINC000020098479 211267920 /nfs/dbraw/zinc/26/79/20/211267920.db2.gz NCRSITDRLINBPG-KRWDZBQOSA-N 1 2 368.510 3.115 40 0 FGABLO COc1cccc(-c2nc3sccn3c2C[N@H+](C)Cc2nonc2C)c1 ZINC000019656963 211243510 /nfs/dbraw/zinc/24/35/10/211243510.db2.gz VXKUQHQOXRNWET-UHFFFAOYSA-N 1 2 369.450 3.395 40 0 FGABLO COc1cccc(-c2nc3sccn3c2C[N@@H+](C)Cc2nonc2C)c1 ZINC000019656963 211243516 /nfs/dbraw/zinc/24/35/16/211243516.db2.gz VXKUQHQOXRNWET-UHFFFAOYSA-N 1 2 369.450 3.395 40 0 FGABLO Cc1nc2ccccc2n1Cc1cc(NC[C@]2(C)CCCO2)nc(C)[nH+]1 ZINC000019655907 211243239 /nfs/dbraw/zinc/24/32/39/211243239.db2.gz ZILCOQKOSHFGJN-FQEVSTJZSA-N 1 2 351.454 3.472 40 0 FGABLO COc1ccc(-c2cc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)on2)cc1 ZINC000019660514 211242082 /nfs/dbraw/zinc/24/20/82/211242082.db2.gz RADISBBMTPISRQ-GOSISDBHSA-N 1 2 368.437 3.391 40 0 FGABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3sc(C)nc3C)[C@@H](C)C2)c1 ZINC000019560148 211232736 /nfs/dbraw/zinc/23/27/36/211232736.db2.gz WVZIDDXYQSUXID-ZDUSSCGKSA-N 1 2 359.495 3.115 40 0 FGABLO COc1cccc(C[N@H+]2CCN(C(=O)c3sc(C)nc3C)[C@@H](C)C2)c1 ZINC000019560148 211232740 /nfs/dbraw/zinc/23/27/40/211232740.db2.gz WVZIDDXYQSUXID-ZDUSSCGKSA-N 1 2 359.495 3.115 40 0 FGABLO Cc1nccc(-c2ccc(-c3noc(C[NH+]4CCSCC4)n3)cc2)n1 ZINC000019287562 211212181 /nfs/dbraw/zinc/21/21/81/211212181.db2.gz JQWGEHNPBYSQMA-UHFFFAOYSA-N 1 2 353.451 3.051 40 0 FGABLO COc1cc2c(cc1OC)[C@H](c1cnc(C)nc1)[NH2+][C@H](c1ccccn1)C2 ZINC000019287298 211211049 /nfs/dbraw/zinc/21/10/49/211211049.db2.gz WTPGSFKJXATEMF-RXVVDRJESA-N 1 2 362.433 3.174 40 0 FGABLO c1cc(C[NH+]2CCN(c3nccn4c(-c5ccsc5)cnc34)CC2)co1 ZINC000306123786 132301411 /nfs/dbraw/zinc/30/14/11/132301411.db2.gz AWQDSHZCSJIEDG-UHFFFAOYSA-N 1 2 365.462 3.373 40 0 FGABLO CC[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057669654 136129787 /nfs/dbraw/zinc/12/97/87/136129787.db2.gz VKZQVEUSAKUVPO-KRWDZBQOSA-N 1 2 356.518 3.318 40 0 FGABLO c1csc(C[N@@H+]2CCO[C@@]3(CCC[C@H]3COCc3ccccn3)C2)n1 ZINC000096160964 222059938 /nfs/dbraw/zinc/05/99/38/222059938.db2.gz DKVUBXFFNPMLEF-LPHOPBHVSA-N 1 2 359.495 3.126 40 0 FGABLO c1csc(C[N@H+]2CCO[C@@]3(CCC[C@H]3COCc3ccccn3)C2)n1 ZINC000096160964 222059940 /nfs/dbraw/zinc/05/99/40/222059940.db2.gz DKVUBXFFNPMLEF-LPHOPBHVSA-N 1 2 359.495 3.126 40 0 FGABLO COc1ccc(SCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000038754533 494117460 /nfs/dbraw/zinc/11/74/60/494117460.db2.gz GFBJYQPYWCZPQM-UHFFFAOYSA-N 1 2 353.447 3.289 40 0 FGABLO O=c1[nH]c(-c2cccnc2)nc2c1C[N@H+](Cc1cccc(F)c1F)CC2 ZINC000072339867 494153932 /nfs/dbraw/zinc/15/39/32/494153932.db2.gz JOACNBHGJYLSGL-UHFFFAOYSA-N 1 2 354.360 3.081 40 0 FGABLO O=c1[nH]c(-c2cccnc2)nc2c1C[N@@H+](Cc1cccc(F)c1F)CC2 ZINC000072339867 494153937 /nfs/dbraw/zinc/15/39/37/494153937.db2.gz JOACNBHGJYLSGL-UHFFFAOYSA-N 1 2 354.360 3.081 40 0 FGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000012116431 494206315 /nfs/dbraw/zinc/20/63/15/494206315.db2.gz PXAYYAOZNHPUGC-INIZCTEOSA-N 1 2 366.440 3.245 40 0 FGABLO O=C(Cc1ccc(F)cc1)N1Cc2ccccc2OC[C@H]1Cn1cc[nH+]c1 ZINC000012128239 494207083 /nfs/dbraw/zinc/20/70/83/494207083.db2.gz AWYRUHLHZDHNHZ-LJQANCHMSA-N 1 2 365.408 3.055 40 0 FGABLO COc1ccc(OC[C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044908716 494388035 /nfs/dbraw/zinc/38/80/35/494388035.db2.gz RBJJEPMIGNMWEN-INIZCTEOSA-N 1 2 365.433 3.137 40 0 FGABLO CCOc1ccc(NC(=S)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000225221797 497058190 /nfs/dbraw/zinc/05/81/90/497058190.db2.gz BWKQBCUHYSTBRX-UHFFFAOYSA-N 1 2 371.506 3.306 40 0 FGABLO CC(=O)N1CC[C@@H](c2n[nH]cc2-c2cc[nH+]c(NCc3ccccc3)c2)C1 ZINC000257260086 526653477 /nfs/dbraw/zinc/65/34/77/526653477.db2.gz LBGRMMHACAZDMO-GOSISDBHSA-N 1 2 361.449 3.420 40 0 FGABLO O=S(=O)(Cc1cccc(Cl)c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020493665 527193260 /nfs/dbraw/zinc/19/32/60/527193260.db2.gz PSMOFDHHELXKIW-UHFFFAOYSA-N 1 2 361.854 3.145 40 0 FGABLO CCOC(=O)c1ccc(NC(=O)C[NH+]2Cc3cc(C)c(C)cc3C2)cc1O ZINC000409201869 570740140 /nfs/dbraw/zinc/74/01/40/570740140.db2.gz QTPAJVPOMIKRIS-UHFFFAOYSA-N 1 2 368.433 3.140 40 0 FGABLO c1ccc(CCNc2cc(-c3ccncc3)[nH+]c(NC3CCCCC3)n2)nc1 ZINC000329037520 210133515 /nfs/dbraw/zinc/13/35/15/210133515.db2.gz ROARHSWDIUSBPX-UHFFFAOYSA-N 1 2 374.492 3.177 40 0 FGABLO Cc1ccc(Cl)cc1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](C)CO)n1 ZINC000329013091 210131301 /nfs/dbraw/zinc/13/13/01/210131301.db2.gz MOEWLVCHWUXJKG-CQSZACIVSA-N 1 2 368.868 3.486 40 0 FGABLO CC[C@H](C)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329008967 210130579 /nfs/dbraw/zinc/13/05/79/210130579.db2.gz LTMZKKVDDDZLTA-ZDUSSCGKSA-N 1 2 369.419 3.483 40 0 FGABLO Clc1cccc(C[N@H+]2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)c1 ZINC000306133435 210052845 /nfs/dbraw/zinc/05/28/45/210052845.db2.gz MLHIWBMFTIZDEK-INIZCTEOSA-N 1 2 368.872 3.071 40 0 FGABLO Clc1cccc(C[N@@H+]2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)c1 ZINC000306133435 210052848 /nfs/dbraw/zinc/05/28/48/210052848.db2.gz MLHIWBMFTIZDEK-INIZCTEOSA-N 1 2 368.872 3.071 40 0 FGABLO Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000306127794 210050592 /nfs/dbraw/zinc/05/05/92/210050592.db2.gz GHVLNAAATBGTGP-HNNXBMFYSA-N 1 2 367.478 3.032 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000306125531 210049633 /nfs/dbraw/zinc/04/96/33/210049633.db2.gz CTJDLGBZWSQUSJ-AZUAARDMSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000306125531 210049636 /nfs/dbraw/zinc/04/96/36/210049636.db2.gz CTJDLGBZWSQUSJ-AZUAARDMSA-N 1 2 366.442 3.097 40 0 FGABLO Cc1c[nH+]c2n1C[C@@H](c1ccccc1)N(C(=O)c1cnc(C3CC3)nc1)C2 ZINC000257253099 223038926 /nfs/dbraw/zinc/03/89/26/223038926.db2.gz JXNWDAYKUHVNDR-SFHVURJKSA-N 1 2 359.433 3.256 40 0 FGABLO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)s1 ZINC000257255354 223038492 /nfs/dbraw/zinc/03/84/92/223038492.db2.gz KHCZTUXLJMEEAY-CYBMUJFWSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)s1 ZINC000257255354 223038496 /nfs/dbraw/zinc/03/84/96/223038496.db2.gz KHCZTUXLJMEEAY-CYBMUJFWSA-N 1 2 355.471 3.088 40 0 FGABLO Cc1nc(Nc2nccs2)cc([C@H]2CCCCN2Cc2[nH+]ccn2C)n1 ZINC000257325340 223066729 /nfs/dbraw/zinc/06/67/29/223066729.db2.gz WSOBEHXIQJICGL-OAHLLOKOSA-N 1 2 369.498 3.446 40 0 FGABLO C[N@@H+]1C[C@@H](NC(=O)C2CCCCC2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530068 220002673 /nfs/dbraw/zinc/00/26/73/220002673.db2.gz ZKKJJFAFOYTETE-IRXDYDNUSA-N 1 2 354.454 3.178 40 0 biogenic,in-vitro FGABLO C[N@H+]1C[C@@H](NC(=O)C2CCCCC2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530068 220002676 /nfs/dbraw/zinc/00/26/76/220002676.db2.gz ZKKJJFAFOYTETE-IRXDYDNUSA-N 1 2 354.454 3.178 40 0 biogenic,in-vitro FGABLO O[C@@H]1C[C@@H](c2nc(-c3ccccn3)no2)[N@H+](Cc2cc3ccccc3o2)C1 ZINC000015674218 220159754 /nfs/dbraw/zinc/15/97/54/220159754.db2.gz DBDPBRLETLUUES-PBHICJAKSA-N 1 2 362.389 3.186 40 0 biogenic,in-vitro FGABLO O[C@@H]1C[C@@H](c2nc(-c3ccccn3)no2)[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000015674218 220159757 /nfs/dbraw/zinc/15/97/57/220159757.db2.gz DBDPBRLETLUUES-PBHICJAKSA-N 1 2 362.389 3.186 40 0 biogenic,in-vitro FGABLO Cc1cc(C)c(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000020106344 211268884 /nfs/dbraw/zinc/26/88/84/211268884.db2.gz VIAAKPFABPNZGT-UHFFFAOYSA-N 1 2 355.463 3.276 40 0 FGABLO O=C1[C@H](C2CC[NH+](Cc3ncc[nH]3)CC2)CCCCN1Cc1ccccc1 ZINC000019744902 211254242 /nfs/dbraw/zinc/25/42/42/211254242.db2.gz RVSXLPZGFAXJAS-FQEVSTJZSA-N 1 2 366.509 3.451 40 0 FGABLO CCc1cc(-c2cc(N[C@H](C)Cc3ccccc3OC)nc(N)[nH+]2)n(C)n1 ZINC000019655489 211243152 /nfs/dbraw/zinc/24/31/52/211243152.db2.gz ZODKDQVLIJVWHC-CYBMUJFWSA-N 1 2 366.469 3.073 40 0 FGABLO COc1cccc(C[N@@H+]2CCO[C@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000019565396 211233542 /nfs/dbraw/zinc/23/35/42/211233542.db2.gz MJARJWSNEFCKGZ-SFHVURJKSA-N 1 2 351.406 3.319 40 0 FGABLO COc1cccc(C[N@H+]2CCO[C@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000019565396 211233547 /nfs/dbraw/zinc/23/35/47/211233547.db2.gz MJARJWSNEFCKGZ-SFHVURJKSA-N 1 2 351.406 3.319 40 0 FGABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000019349366 211219373 /nfs/dbraw/zinc/21/93/73/211219373.db2.gz INUUIWILFLTOKU-UHFFFAOYSA-N 1 2 352.825 3.044 40 0 FGABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](Cc1ccccc1Cl)C2 ZINC000019349366 211219377 /nfs/dbraw/zinc/21/93/77/211219377.db2.gz INUUIWILFLTOKU-UHFFFAOYSA-N 1 2 352.825 3.044 40 0 FGABLO CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000019017402 211199637 /nfs/dbraw/zinc/19/96/37/211199637.db2.gz CPCYUGVVKCTRHO-HXUWFJFHSA-N 1 2 368.456 3.248 40 0 FGABLO CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000019017402 211199639 /nfs/dbraw/zinc/19/96/39/211199639.db2.gz CPCYUGVVKCTRHO-HXUWFJFHSA-N 1 2 368.456 3.248 40 0 FGABLO COC(=O)[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)[N@H+]2Cc1ccccc1 ZINC000265540693 533056164 /nfs/dbraw/zinc/05/61/64/533056164.db2.gz OTUXGBRTXLYMPK-NNZMDNLPSA-N 1 2 374.481 3.060 40 0 FGABLO COC(=O)[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)[N@@H+]2Cc1ccccc1 ZINC000265540693 533056168 /nfs/dbraw/zinc/05/61/68/533056168.db2.gz OTUXGBRTXLYMPK-NNZMDNLPSA-N 1 2 374.481 3.060 40 0 FGABLO COc1ccc(C)cc1C[N@@H+]1CC[C@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000100775418 222253181 /nfs/dbraw/zinc/25/31/81/222253181.db2.gz MIKFHRWIIQWVPK-INIZCTEOSA-N 1 2 366.465 3.358 40 0 FGABLO COc1ccc(C)cc1C[N@H+]1CC[C@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000100775418 222253183 /nfs/dbraw/zinc/25/31/83/222253183.db2.gz MIKFHRWIIQWVPK-INIZCTEOSA-N 1 2 366.465 3.358 40 0 FGABLO C=Cn1cc(C[N@H+](Cc2cc(OC)ccc2OC)C[C@@H]2CCCO2)c(C)n1 ZINC000057811273 493800740 /nfs/dbraw/zinc/80/07/40/493800740.db2.gz BCHRGVXHJCLKTL-FQEVSTJZSA-N 1 2 371.481 3.490 40 0 FGABLO C=Cn1cc(C[N@@H+](Cc2cc(OC)ccc2OC)C[C@@H]2CCCO2)c(C)n1 ZINC000057811273 493800743 /nfs/dbraw/zinc/80/07/43/493800743.db2.gz BCHRGVXHJCLKTL-FQEVSTJZSA-N 1 2 371.481 3.490 40 0 FGABLO CCSC1(SCC)C(=O)OC2=C(CCCC2)[C@H]1[NH+]1CCOCC1 ZINC000031759747 493959074 /nfs/dbraw/zinc/95/90/74/493959074.db2.gz OZVWUMBQYTVGCB-OAHLLOKOSA-N 1 2 357.541 3.275 40 0 FGABLO O=C(NCCCn1cc[nH+]c1)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000007342982 494016477 /nfs/dbraw/zinc/01/64/77/494016477.db2.gz KSGWNMYCBDBIMV-UHFFFAOYSA-N 1 2 372.428 3.192 40 0 FGABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072378392 494160773 /nfs/dbraw/zinc/16/07/73/494160773.db2.gz DJVFKODQQJNYNG-QGZVFWFLSA-N 1 2 365.412 3.341 40 0 FGABLO CO[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000012115011 494205233 /nfs/dbraw/zinc/20/52/33/494205233.db2.gz ZINOMXNHMLBXMR-QZTJIDSGSA-N 1 2 371.387 3.292 40 0 FGABLO CCc1[nH+]c2cc(NC(=O)COc3ncnc4ccccc43)ccc2n1C ZINC000012116903 494205531 /nfs/dbraw/zinc/20/55/31/494205531.db2.gz GXDZNKSTOZOSHY-UHFFFAOYSA-N 1 2 361.405 3.096 40 0 FGABLO Cc1ccccc1CC(=O)N1Cc2ccccc2OC[C@H]1Cn1cc[nH+]c1 ZINC000012128330 494206750 /nfs/dbraw/zinc/20/67/50/494206750.db2.gz KSYNUZHQYZEZDV-HXUWFJFHSA-N 1 2 361.445 3.224 40 0 FGABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](Cc4cccc(F)c4)C3)[nH]n2c1=O ZINC000012276398 494219595 /nfs/dbraw/zinc/21/95/95/494219595.db2.gz WZRPOCSSQXKNEB-HNNXBMFYSA-N 1 2 354.429 3.434 40 0 FGABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4cccc(F)c4)C3)[nH]n2c1=O ZINC000012276398 494219597 /nfs/dbraw/zinc/21/95/97/494219597.db2.gz WZRPOCSSQXKNEB-HNNXBMFYSA-N 1 2 354.429 3.434 40 0 FGABLO COC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC[N@H+](C)C2 ZINC000026961220 494847304 /nfs/dbraw/zinc/84/73/04/494847304.db2.gz LNZSZKFCTRMCHA-UHFFFAOYSA-N 1 2 364.854 3.428 40 0 FGABLO COC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC[N@@H+](C)C2 ZINC000026961220 494847308 /nfs/dbraw/zinc/84/73/08/494847308.db2.gz LNZSZKFCTRMCHA-UHFFFAOYSA-N 1 2 364.854 3.428 40 0 FGABLO Cc1cc(C(=O)N2CC3(C2)OCC[C@H]3CCNc2cccc[nH+]2)c(C)o1 ZINC000247830093 496920105 /nfs/dbraw/zinc/92/01/05/496920105.db2.gz KUOUFNOKRFTEJS-MRXNPFEDSA-N 1 2 355.438 3.025 40 0 FGABLO COc1ccc(C[N@@H+]2C[C@@H]3ON=C(c4ccccc4F)[C@H]3C2)cc1OC ZINC000247885589 496924742 /nfs/dbraw/zinc/92/47/42/496924742.db2.gz KUXNHKSWJHECTQ-KXBFYZLASA-N 1 2 356.397 3.078 40 0 FGABLO COc1ccc(C[N@H+]2C[C@@H]3ON=C(c4ccccc4F)[C@H]3C2)cc1OC ZINC000247885589 496924747 /nfs/dbraw/zinc/92/47/47/496924747.db2.gz KUXNHKSWJHECTQ-KXBFYZLASA-N 1 2 356.397 3.078 40 0 FGABLO Cc1nc(CO[C@H]2CCOC3(C[NH+](Cc4ccsc4)C3)C2)cs1 ZINC000248006112 496942767 /nfs/dbraw/zinc/94/27/67/496942767.db2.gz DLJZUNOJHSMZAP-INIZCTEOSA-N 1 2 350.509 3.463 40 0 FGABLO Cc1cc(C(=O)N2CCn3c(CCOCC4CC4)c[nH+]c3[C@H]2C)c(C)o1 ZINC000585096941 507566611 /nfs/dbraw/zinc/56/66/11/507566611.db2.gz CXNITXWYSQQOOU-CQSZACIVSA-N 1 2 357.454 3.279 40 0 FGABLO CC(C)Oc1cccc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000020454623 519783115 /nfs/dbraw/zinc/78/31/15/519783115.db2.gz HPTJLRCPAYBSJW-UHFFFAOYSA-N 1 2 368.477 3.236 40 0 FGABLO CCN(CC)c1cc(N2CCC(CNC(=O)OC(C)(C)C)CC2)nc[nH+]1 ZINC000079440230 520878331 /nfs/dbraw/zinc/87/83/31/520878331.db2.gz ZYVLDLJIQFVEFH-UHFFFAOYSA-N 1 2 363.506 3.064 40 0 FGABLO CCN(CC)c1cc(N2CCC(CNC(=O)OC(C)(C)C)CC2)[nH+]cn1 ZINC000079440230 520878341 /nfs/dbraw/zinc/87/83/41/520878341.db2.gz ZYVLDLJIQFVEFH-UHFFFAOYSA-N 1 2 363.506 3.064 40 0 FGABLO COc1ccc(/C=C2\SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1OC ZINC000019797500 523427481 /nfs/dbraw/zinc/42/74/81/523427481.db2.gz URLVJELNFNJXIE-WJDWOHSUSA-N 1 2 362.451 3.184 40 0 FGABLO CCC[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000057669687 535722374 /nfs/dbraw/zinc/72/23/74/535722374.db2.gz RISFZNWQOCYRGB-QGZVFWFLSA-N 1 2 372.517 3.100 40 0 FGABLO CCn1ccnc1C[N@H+]1[C@H](c2ccc(F)cc2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257253049 529569591 /nfs/dbraw/zinc/56/95/91/529569591.db2.gz JXJXWRBWEZELHD-QYZOEREBSA-N 1 2 370.472 3.417 40 0 FGABLO CCn1ccnc1C[N@@H+]1[C@H](c2ccc(F)cc2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257253049 529569594 /nfs/dbraw/zinc/56/95/94/529569594.db2.gz JXJXWRBWEZELHD-QYZOEREBSA-N 1 2 370.472 3.417 40 0 FGABLO CCc1cccc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NCCCO)n1 ZINC000329005947 529733784 /nfs/dbraw/zinc/73/37/84/529733784.db2.gz LBBYLHMAENATJN-UHFFFAOYSA-N 1 2 362.477 3.396 40 0 FGABLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257239912 223033585 /nfs/dbraw/zinc/03/35/85/223033585.db2.gz HRIKVMWNGQJMTJ-QGZVFWFLSA-N 1 2 370.840 3.479 40 0 FGABLO Cc1csc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3cn[nH]c3C)C2)n1 ZINC000257340709 223071596 /nfs/dbraw/zinc/07/15/96/223071596.db2.gz ZHGLMQUCZYKOBS-AWEZNQCLSA-N 1 2 369.498 3.396 40 0 FGABLO Cc1csc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3cn[nH]c3C)C2)n1 ZINC000257340709 223071599 /nfs/dbraw/zinc/07/15/99/223071599.db2.gz ZHGLMQUCZYKOBS-AWEZNQCLSA-N 1 2 369.498 3.396 40 0 FGABLO Cc1cccn2cc(-c3cccc(NC(=O)CNC(=O)c4ccco4)c3)[nH+]c12 ZINC000013568827 220074427 /nfs/dbraw/zinc/07/44/27/220074427.db2.gz LEJLVCXDWVDGJS-UHFFFAOYSA-N 1 2 374.400 3.271 40 0 FGABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015674073 220158881 /nfs/dbraw/zinc/15/88/81/220158881.db2.gz WRNWMEYVCHIALX-AEFFLSMTSA-N 1 2 351.406 3.053 40 0 biogenic,in-vitro FGABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015674073 220158883 /nfs/dbraw/zinc/15/88/83/220158883.db2.gz WRNWMEYVCHIALX-AEFFLSMTSA-N 1 2 351.406 3.053 40 0 biogenic,in-vitro FGABLO O=S1(=O)N=C([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)Nc2ccccc21 ZINC000019375673 220255333 /nfs/dbraw/zinc/25/53/33/220255333.db2.gz HFFBVFKROAYKEQ-HNNXBMFYSA-N 1 2 373.453 3.251 40 0 FGABLO O=S1(=O)N=C([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)Nc2ccccc21 ZINC000019375673 220255336 /nfs/dbraw/zinc/25/53/36/220255336.db2.gz HFFBVFKROAYKEQ-HNNXBMFYSA-N 1 2 373.453 3.251 40 0 FGABLO C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)CCc1ccccc1)C2 ZINC000019588900 220277644 /nfs/dbraw/zinc/27/76/44/220277644.db2.gz YIFSZSAUWYQNHQ-HXUWFJFHSA-N 1 2 364.493 3.151 40 0 FGABLO C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)CCc1ccccc1)C2 ZINC000019588900 220277647 /nfs/dbraw/zinc/27/76/47/220277647.db2.gz YIFSZSAUWYQNHQ-HXUWFJFHSA-N 1 2 364.493 3.151 40 0 FGABLO CCOC(=O)c1n[nH]cc1-c1c[nH+]cn1[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000019719697 220292196 /nfs/dbraw/zinc/29/21/96/220292196.db2.gz LVHVJNXTBHXTTA-LJQANCHMSA-N 1 2 366.421 3.458 40 0 FGABLO CCn1nc(C)c(-c2c[nH+]cn2CCc2ccc3c(c2)OCCO3)c1C ZINC000019719550 220292253 /nfs/dbraw/zinc/29/22/53/220292253.db2.gz IVRXZGPZYUQUNT-UHFFFAOYSA-N 1 2 352.438 3.397 40 0 FGABLO CCn1cc(C[N@@H+](Cc2cc(OC)ccc2OC)C[C@H]2CCCO2)c(C)n1 ZINC000057811286 221094284 /nfs/dbraw/zinc/09/42/84/221094284.db2.gz PMZBVRMVLMZIIL-HXUWFJFHSA-N 1 2 373.497 3.410 40 0 FGABLO CCn1cc(C[N@H+](Cc2cc(OC)ccc2OC)C[C@H]2CCCO2)c(C)n1 ZINC000057811286 221094286 /nfs/dbraw/zinc/09/42/86/221094286.db2.gz PMZBVRMVLMZIIL-HXUWFJFHSA-N 1 2 373.497 3.410 40 0 FGABLO CC(C)C[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057669773 136129797 /nfs/dbraw/zinc/12/97/97/136129797.db2.gz CFEDVVBWFITWMJ-SFHVURJKSA-N 1 2 374.508 3.477 40 0 FGABLO CC(C)[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057669724 136129893 /nfs/dbraw/zinc/12/98/93/136129893.db2.gz CPWZSJOQKXQRCA-KRWDZBQOSA-N 1 2 360.481 3.087 40 0 FGABLO CN(C)c1cc([C@H]2c3ccccc3CCCN2C(=O)[C@H]2CCOC2)cc[nH+]1 ZINC000096087144 222018366 /nfs/dbraw/zinc/01/83/66/222018366.db2.gz RFCXIUNISPGZOO-RXVVDRJESA-N 1 2 365.477 3.048 40 0 FGABLO CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000038752940 494117928 /nfs/dbraw/zinc/11/79/28/494117928.db2.gz IOOPHCSDBMFLCW-UHFFFAOYSA-N 1 2 358.869 3.444 40 0 FGABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000072355330 494157515 /nfs/dbraw/zinc/15/75/15/494157515.db2.gz IGTMPSCBAFIMNM-QGZVFWFLSA-N 1 2 361.449 3.245 40 0 FGABLO Cc1cccc(Nc2cc(C)nc([C@@H]3CCC[N@H+](Cc4ncc[nH]4)C3)n2)n1 ZINC000072360083 494158211 /nfs/dbraw/zinc/15/82/11/494158211.db2.gz FOJRHZNBEOHEQO-MRXNPFEDSA-N 1 2 363.469 3.335 40 0 FGABLO Cc1cccc(Nc2cc(C)nc([C@@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)n2)n1 ZINC000072360083 494158214 /nfs/dbraw/zinc/15/82/14/494158214.db2.gz FOJRHZNBEOHEQO-MRXNPFEDSA-N 1 2 363.469 3.335 40 0 FGABLO Cc1cc(Oc2ccccc2F)nc([C@@H]2CC[N@@H+](Cc3nccn3C)C2)n1 ZINC000072384194 494162632 /nfs/dbraw/zinc/16/26/32/494162632.db2.gz BEVVJDRBGXGWJG-OAHLLOKOSA-N 1 2 367.428 3.439 40 0 FGABLO Cc1cc(Oc2ccccc2F)nc([C@@H]2CC[N@H+](Cc3nccn3C)C2)n1 ZINC000072384194 494162636 /nfs/dbraw/zinc/16/26/36/494162636.db2.gz BEVVJDRBGXGWJG-OAHLLOKOSA-N 1 2 367.428 3.439 40 0 FGABLO COc1ccc(Oc2cncc([C@H]3CCCN3Cc3[nH]cc[nH+]3)n2)cc1 ZINC000072384355 494162670 /nfs/dbraw/zinc/16/26/70/494162670.db2.gz RBCLVJKICVFRKA-QGZVFWFLSA-N 1 2 351.410 3.338 40 0 FGABLO OC1(c2ccccc2F)CC[NH+](Cc2ccnn2[C@H]2CCCCO2)CC1 ZINC000012240571 494217055 /nfs/dbraw/zinc/21/70/55/494217055.db2.gz FOLPYCOOUIDPMA-LJQANCHMSA-N 1 2 359.445 3.205 40 0 FGABLO CCc1cc(=O)n2[nH]c([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)cc2n1 ZINC000012276576 494219412 /nfs/dbraw/zinc/21/94/12/494219412.db2.gz HVBBQWYJOZTSPT-ZDUSSCGKSA-N 1 2 358.392 3.265 40 0 FGABLO CCc1cc(=O)n2[nH]c([C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)cc2n1 ZINC000012276576 494219418 /nfs/dbraw/zinc/21/94/18/494219418.db2.gz HVBBQWYJOZTSPT-ZDUSSCGKSA-N 1 2 358.392 3.265 40 0 FGABLO CCOC[C@H]1CN(C(=O)Cc2ccsc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045141 494998628 /nfs/dbraw/zinc/99/86/28/494998628.db2.gz OZWBFAQUKMZXAI-MRXNPFEDSA-N 1 2 359.495 3.060 40 0 FGABLO O=C(NCCOc1ccccc1Cl)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000164132879 496589166 /nfs/dbraw/zinc/58/91/66/496589166.db2.gz DDYRDWTUVCWUNK-UHFFFAOYSA-N 1 2 355.825 3.394 40 0 FGABLO O=C(c1cc(C2CC2)on1)N1Cc2c[nH+]cn2[C@H](COCC2CCCC2)C1 ZINC000247854232 496921604 /nfs/dbraw/zinc/92/16/04/496921604.db2.gz JVINVRAZJRHYPK-KRWDZBQOSA-N 1 2 370.453 3.152 40 0 FGABLO Cc1ccsc1C[N@H+]1Cc2ccnn2[C@H](CCNC(=O)c2ccco2)C1 ZINC000253599506 497344783 /nfs/dbraw/zinc/34/47/83/497344783.db2.gz QRTLQIMZCWHHNH-OAHLLOKOSA-N 1 2 370.478 3.223 40 0 FGABLO Cc1ccsc1C[N@@H+]1Cc2ccnn2[C@H](CCNC(=O)c2ccco2)C1 ZINC000253599506 497344789 /nfs/dbraw/zinc/34/47/89/497344789.db2.gz QRTLQIMZCWHHNH-OAHLLOKOSA-N 1 2 370.478 3.223 40 0 FGABLO COc1ccc(Oc2nccnc2C2CC[NH+](Cc3c[nH]cn3)CC2)cc1 ZINC000257241039 497394439 /nfs/dbraw/zinc/39/44/39/497394439.db2.gz HWJIWVQLWRVFGZ-UHFFFAOYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1ccc(Oc2nccnc2C2CC[NH+](Cc3cnc[nH]3)CC2)cc1 ZINC000257241039 497394443 /nfs/dbraw/zinc/39/44/43/497394443.db2.gz HWJIWVQLWRVFGZ-UHFFFAOYSA-N 1 2 365.437 3.380 40 0 FGABLO C[C@H]1CCCCN1Cc1nnc(C[N@@H+]2CCCC[C@@H]2C)n1-n1cccc1 ZINC000260574435 497406434 /nfs/dbraw/zinc/40/64/34/497406434.db2.gz YYMKLJRNCLOCAZ-ROUUACIJSA-N 1 2 356.518 3.140 40 0 FGABLO C[C@H]1CCCCN1Cc1nnc(C[N@H+]2CCCC[C@@H]2C)n1-n1cccc1 ZINC000260574435 497406440 /nfs/dbraw/zinc/40/64/40/497406440.db2.gz YYMKLJRNCLOCAZ-ROUUACIJSA-N 1 2 356.518 3.140 40 0 FGABLO Cc1ccc(C(=O)N2CC[C@]3(Cc4[nH+]cc(-c5cccnc5)n4C3)C2)s1 ZINC000306123141 498736772 /nfs/dbraw/zinc/73/67/72/498736772.db2.gz AFNSUOGCYJYMPS-FQEVSTJZSA-N 1 2 364.474 3.404 40 0 FGABLO Cc1ccsc1C[N@H+]1Cc2ccnn2[C@@H](CCNC(=O)CC2CC2)C1 ZINC000585112800 507576212 /nfs/dbraw/zinc/57/62/12/507576212.db2.gz WREQGNISIBFOOP-INIZCTEOSA-N 1 2 358.511 3.116 40 0 FGABLO Cc1ccsc1C[N@@H+]1Cc2ccnn2[C@@H](CCNC(=O)CC2CC2)C1 ZINC000585112800 507576218 /nfs/dbraw/zinc/57/62/18/507576218.db2.gz WREQGNISIBFOOP-INIZCTEOSA-N 1 2 358.511 3.116 40 0 FGABLO Cc1cccc(Cl)c1Nc1cc(-c2ccccc2)[nH+]c(NCCCO)n1 ZINC000328964604 534729117 /nfs/dbraw/zinc/72/91/17/534729117.db2.gz BXAISYHNIOEAFY-UHFFFAOYSA-N 1 2 368.868 3.487 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000306125408 534877337 /nfs/dbraw/zinc/87/73/37/534877337.db2.gz CPJQCXSRBTXWSX-YLJYHZDGSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000306125408 534877338 /nfs/dbraw/zinc/87/73/38/534877338.db2.gz CPJQCXSRBTXWSX-YLJYHZDGSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000306125187 534877463 /nfs/dbraw/zinc/87/74/63/534877463.db2.gz CIMTVKZHZROVNM-IEBWSBKVSA-N 1 2 355.415 3.295 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000306125187 534877465 /nfs/dbraw/zinc/87/74/65/534877465.db2.gz CIMTVKZHZROVNM-IEBWSBKVSA-N 1 2 355.415 3.295 40 0 FGABLO CC[C@@H](C)Nc1nc(NCc2cccc(OC)c2)cc(-c2ccncc2)[nH+]1 ZINC000328964923 529357386 /nfs/dbraw/zinc/35/73/86/529357386.db2.gz BYKJNPALSUVXHO-OAHLLOKOSA-N 1 2 363.465 3.214 40 0 FGABLO Cc1[nH]ncc1C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000103345937 571151279 /nfs/dbraw/zinc/15/12/79/571151279.db2.gz HDGTZOPTTLHZRO-SFHVURJKSA-N 1 2 362.905 3.313 40 0 FGABLO NC(=O)c1sc2ncccc2c1C1CC[NH+](Cc2cscn2)CC1 ZINC000257251264 223037790 /nfs/dbraw/zinc/03/77/90/223037790.db2.gz JQAYBBJVZWNIIB-UHFFFAOYSA-N 1 2 358.492 3.231 40 0 FGABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCCC[N@H+]2Cc2cncn2C)n1 ZINC000257320991 223064729 /nfs/dbraw/zinc/06/47/29/223064729.db2.gz VZQHBZHVTODQMP-SFHVURJKSA-N 1 2 363.469 3.384 40 0 FGABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCCC[N@@H+]2Cc2cncn2C)n1 ZINC000257320991 223064732 /nfs/dbraw/zinc/06/47/32/223064732.db2.gz VZQHBZHVTODQMP-SFHVURJKSA-N 1 2 363.469 3.384 40 0 FGABLO c1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccccn5)CCO4)nnn3c2)cc1 ZINC000306131850 223108016 /nfs/dbraw/zinc/10/80/16/223108016.db2.gz KQUDLIOVFPCTGT-NRFANRHFSA-N 1 2 371.444 3.365 40 0 FGABLO c1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccccn5)CCO4)nnn3c2)cc1 ZINC000306131850 223108018 /nfs/dbraw/zinc/10/80/18/223108018.db2.gz KQUDLIOVFPCTGT-NRFANRHFSA-N 1 2 371.444 3.365 40 0 FGABLO Cc1ccc(C(F)(F)F)cc1Nc1cc(C2CC2)[nH+]c(N[C@@H](C)CO)n1 ZINC000328980461 223127256 /nfs/dbraw/zinc/12/72/56/223127256.db2.gz GNRBFMFLNTTYQG-NSHDSACASA-N 1 2 366.387 3.061 40 0 FGABLO OCCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000328978771 223127301 /nfs/dbraw/zinc/12/73/01/223127301.db2.gz GASLXBZYQZDUBV-UHFFFAOYSA-N 1 2 372.778 3.018 40 0 FGABLO CC(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)ncc2C1 ZINC000019018278 220234466 /nfs/dbraw/zinc/23/44/66/220234466.db2.gz SCVWNJVHNMXCAE-HXUWFJFHSA-N 1 2 368.456 3.248 40 0 FGABLO CC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)ncc2C1 ZINC000019018278 220234470 /nfs/dbraw/zinc/23/44/70/220234470.db2.gz SCVWNJVHNMXCAE-HXUWFJFHSA-N 1 2 368.456 3.248 40 0 FGABLO COc1ccc(NC(=O)[C@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)cc1 ZINC000019289983 220246853 /nfs/dbraw/zinc/24/68/53/220246853.db2.gz VJTCIRPBBFNGKQ-HNNXBMFYSA-N 1 2 364.449 3.437 40 0 FGABLO COc1ccc(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)c(OC)c1OC ZINC000019552713 220272141 /nfs/dbraw/zinc/27/21/41/220272141.db2.gz ILCGVPNIRFTKIU-SFHVURJKSA-N 1 2 372.465 3.289 40 0 FGABLO COc1ccc(C[N@H+](Cc2ccccn2)C[C@@H]2CCCO2)c(OC)c1OC ZINC000019552713 220272144 /nfs/dbraw/zinc/27/21/44/220272144.db2.gz ILCGVPNIRFTKIU-SFHVURJKSA-N 1 2 372.465 3.289 40 0 FGABLO CCOC(=O)C1(c2ccccc2)CC[NH+](CC(=O)c2ccccc2)CC1 ZINC000058981087 221123739 /nfs/dbraw/zinc/12/37/39/221123739.db2.gz XFKPHSMWBQJLCT-UHFFFAOYSA-N 1 2 351.446 3.466 40 0 FGABLO CC(C)[C@@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057669599 136129816 /nfs/dbraw/zinc/12/98/16/136129816.db2.gz LAIXFNCNRIFIOY-IBGZPJMESA-N 1 2 372.492 3.447 40 0 FGABLO FC1(F)CC[N@H+](Cc2nccs2)C[C@@]12CCN(c1ccccn1)C2 ZINC000096051148 222001179 /nfs/dbraw/zinc/00/11/79/222001179.db2.gz JBBQTEBSQDTGNZ-MRXNPFEDSA-N 1 2 350.438 3.276 40 0 FGABLO FC1(F)CC[N@@H+](Cc2nccs2)C[C@@]12CCN(c1ccccn1)C2 ZINC000096051148 222001181 /nfs/dbraw/zinc/00/11/81/222001181.db2.gz JBBQTEBSQDTGNZ-MRXNPFEDSA-N 1 2 350.438 3.276 40 0 FGABLO CC(C)n1cnc2c1[C@@H](C(=O)NCc1cccs1)[N@H+](CC1CC1)CC2 ZINC000096265028 222106305 /nfs/dbraw/zinc/10/63/05/222106305.db2.gz NEWAUUMTPSVFDD-SFHVURJKSA-N 1 2 358.511 3.151 40 0 FGABLO CC(C)n1cnc2c1[C@@H](C(=O)NCc1cccs1)[N@@H+](CC1CC1)CC2 ZINC000096265028 222106307 /nfs/dbraw/zinc/10/63/07/222106307.db2.gz NEWAUUMTPSVFDD-SFHVURJKSA-N 1 2 358.511 3.151 40 0 FGABLO CSc1ccccc1N1C(=O)C[C@H](Nc2ccc([NH+](C)C)cc2)C1=O ZINC000101130773 222264150 /nfs/dbraw/zinc/26/41/50/222264150.db2.gz IYZSFJQZHULLHN-HNNXBMFYSA-N 1 2 355.463 3.219 40 0 FGABLO Cc1ccc2nc([C@H]3CC[N@H+](Cc4ccc(S(C)(=O)=O)cc4)C3)[nH]c2c1 ZINC000035446584 494077183 /nfs/dbraw/zinc/07/71/83/494077183.db2.gz BVQVGIVYSVLQRJ-INIZCTEOSA-N 1 2 369.490 3.264 40 0 biogenic,in-vitro FGABLO Cc1ccc2nc([C@H]3CC[N@@H+](Cc4ccc(S(C)(=O)=O)cc4)C3)[nH]c2c1 ZINC000035446584 494077188 /nfs/dbraw/zinc/07/71/88/494077188.db2.gz BVQVGIVYSVLQRJ-INIZCTEOSA-N 1 2 369.490 3.264 40 0 biogenic,in-vitro FGABLO Cc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(S(C)(=O)=O)cc4)C3)nc2c1 ZINC000035446584 494077193 /nfs/dbraw/zinc/07/71/93/494077193.db2.gz BVQVGIVYSVLQRJ-INIZCTEOSA-N 1 2 369.490 3.264 40 0 biogenic,in-vitro FGABLO Cc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(S(C)(=O)=O)cc4)C3)nc2c1 ZINC000035446584 494077197 /nfs/dbraw/zinc/07/71/97/494077197.db2.gz BVQVGIVYSVLQRJ-INIZCTEOSA-N 1 2 369.490 3.264 40 0 biogenic,in-vitro FGABLO O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216218 494144364 /nfs/dbraw/zinc/14/43/64/494144364.db2.gz QTXKIYBAMSRUTN-IBGZPJMESA-N 1 2 367.449 3.392 40 0 FGABLO COc1cccc(Oc2nccnc2[C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000072362985 494158365 /nfs/dbraw/zinc/15/83/65/494158365.db2.gz VCWQYRVFEHFHDD-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2nccnc2[C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)c1 ZINC000072362985 494158369 /nfs/dbraw/zinc/15/83/69/494158369.db2.gz VCWQYRVFEHFHDD-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1cccc(Oc2nccnc2[C@H]2CCCN(Cc3[nH]cc[nH+]3)C2)c1 ZINC000072362985 494158371 /nfs/dbraw/zinc/15/83/71/494158371.db2.gz VCWQYRVFEHFHDD-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO O=C(C[N@H+]1CCC[C@H]1c1n[nH]cc1-c1ccc(F)cc1)N1CCCCC1 ZINC000072380261 494161081 /nfs/dbraw/zinc/16/10/81/494161081.db2.gz YOAPPPWZVWMKJR-SFHVURJKSA-N 1 2 356.445 3.365 40 0 FGABLO O=C(C[N@@H+]1CCC[C@H]1c1n[nH]cc1-c1ccc(F)cc1)N1CCCCC1 ZINC000072380261 494161083 /nfs/dbraw/zinc/16/10/83/494161083.db2.gz YOAPPPWZVWMKJR-SFHVURJKSA-N 1 2 356.445 3.365 40 0 FGABLO O=C(C[N@H+]1CCC[C@H]1c1[nH]ncc1-c1ccc(F)cc1)N1CCCCC1 ZINC000072380261 494161085 /nfs/dbraw/zinc/16/10/85/494161085.db2.gz YOAPPPWZVWMKJR-SFHVURJKSA-N 1 2 356.445 3.365 40 0 FGABLO O=C(C[N@@H+]1CCC[C@H]1c1[nH]ncc1-c1ccc(F)cc1)N1CCCCC1 ZINC000072380261 494161088 /nfs/dbraw/zinc/16/10/88/494161088.db2.gz YOAPPPWZVWMKJR-SFHVURJKSA-N 1 2 356.445 3.365 40 0 FGABLO COc1cccc(CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)c(F)c2)c1 ZINC000012115000 494204876 /nfs/dbraw/zinc/20/48/76/494204876.db2.gz NEEYDJPKDZDYJJ-LJQANCHMSA-N 1 2 371.387 3.155 40 0 FGABLO COc1cccc(NC(=O)C2CCN(c3[nH+]c4ccccc4n3C)CC2)c1 ZINC000012116300 494206358 /nfs/dbraw/zinc/20/63/58/494206358.db2.gz UADFBVOFGYSYEI-UHFFFAOYSA-N 1 2 364.449 3.437 40 0 FGABLO COc1ccc(C[N@@H+]2CC[C@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)cc1 ZINC000012255223 494218243 /nfs/dbraw/zinc/21/82/43/494218243.db2.gz IIPUPDHPGNZQRK-INIZCTEOSA-N 1 2 352.438 3.050 40 0 FGABLO COc1ccc(C[N@H+]2CC[C@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)cc1 ZINC000012255223 494218245 /nfs/dbraw/zinc/21/82/45/494218245.db2.gz IIPUPDHPGNZQRK-INIZCTEOSA-N 1 2 352.438 3.050 40 0 FGABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3cccc(O)c3)[nH]2)cc1OCC ZINC000095534528 494989226 /nfs/dbraw/zinc/98/92/26/494989226.db2.gz HHDDJVRKWGYMHI-KRWDZBQOSA-N 1 2 354.410 3.023 40 0 FGABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@H]2CCOCc1ccccn1 ZINC000248035743 496945177 /nfs/dbraw/zinc/94/51/77/496945177.db2.gz NCGOMTNOSKNURJ-MRXNPFEDSA-N 1 2 359.495 3.044 40 0 FGABLO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CCO3)s1 ZINC000248056565 496949224 /nfs/dbraw/zinc/94/92/24/496949224.db2.gz CFNDYVGRRPSQNE-KRWDZBQOSA-N 1 2 351.512 3.233 40 0 FGABLO c1ccc2nc(C[NH+]3CC4(C3)OCC[C@@H]4COc3cccnc3)ccc2c1 ZINC000248338866 496980938 /nfs/dbraw/zinc/98/09/38/496980938.db2.gz SAVGBZWHKTYHFW-GOSISDBHSA-N 1 2 361.445 3.300 40 0 FGABLO Cc1noc(C)c1C[NH+]1CC2(C1)C[C@H](CCOCc1ccccn1)CCO2 ZINC000252011267 497295097 /nfs/dbraw/zinc/29/50/97/497295097.db2.gz SGCYTQPTCBQGKC-GOSISDBHSA-N 1 2 371.481 3.274 40 0 FGABLO Cc1noc(C)c1C[NH+]1CC2(C1)C[C@@H](CCOCc1ccccn1)CCO2 ZINC000252011270 497295316 /nfs/dbraw/zinc/29/53/16/497295316.db2.gz SGCYTQPTCBQGKC-SFHVURJKSA-N 1 2 371.481 3.274 40 0 FGABLO O[C@@H]1c2cc(Cl)cc(Cl)c2O[C@@H]2[C@H]1CCC[C@@H]2[NH+]1CCOCC1 ZINC000255188816 497360903 /nfs/dbraw/zinc/36/09/03/497360903.db2.gz LUUHSWQTOMSKJN-JIRONKKISA-N 1 2 358.265 3.289 40 0 FGABLO O=C(COCc1ccccc1)N1CCc2[nH+]cc(-c3ccccc3)n2CC1 ZINC000585111104 507574286 /nfs/dbraw/zinc/57/42/86/507574286.db2.gz DUNOVSWNKYFTQG-UHFFFAOYSA-N 1 2 361.445 3.152 40 0 FGABLO COc1cccc2c1OC1(CC[NH+](Cc3cc[nH]n3)CC1)[C@H]1CCCO[C@H]21 ZINC000257330684 533895028 /nfs/dbraw/zinc/89/50/28/533895028.db2.gz XPMFQCFJYUKMRR-PKOBYXMFSA-N 1 2 369.465 3.313 40 0 FGABLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C(=O)Nc3cnccn3)n2)cn1 ZINC000257241504 533928505 /nfs/dbraw/zinc/92/85/05/533928505.db2.gz HYGKFWNGSIJHGY-LJQANCHMSA-N 1 2 374.448 3.164 40 0 FGABLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(C(=O)Nc3cnccn3)n2)cn1 ZINC000257241504 533928512 /nfs/dbraw/zinc/92/85/12/533928512.db2.gz HYGKFWNGSIJHGY-LJQANCHMSA-N 1 2 374.448 3.164 40 0 FGABLO C[C@@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329055381 534128425 /nfs/dbraw/zinc/12/84/25/534128425.db2.gz VNPIHPZTUVSLSN-VIFPVBQESA-N 1 2 353.253 3.041 40 0 FGABLO C[C@@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329016874 534129532 /nfs/dbraw/zinc/12/95/32/534129532.db2.gz NJNINNJIMMXFDP-AWEZNQCLSA-N 1 2 368.868 3.046 40 0 FGABLO OCCCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329068987 534363515 /nfs/dbraw/zinc/36/35/15/534363515.db2.gz YTMNLJDGYCPVJE-UHFFFAOYSA-N 1 2 353.253 3.043 40 0 FGABLO Cc1nc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C)cc(N(C)C)n1 ZINC000257254275 534573256 /nfs/dbraw/zinc/57/32/56/534573256.db2.gz KCKWHUYBFWJOOI-SFHVURJKSA-N 1 2 350.470 3.075 40 0 FGABLO Cc1nc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3n2C)cc(N(C)C)n1 ZINC000257254275 534573262 /nfs/dbraw/zinc/57/32/62/534573262.db2.gz KCKWHUYBFWJOOI-SFHVURJKSA-N 1 2 350.470 3.075 40 0 FGABLO CC(C)[C@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669598 535169630 /nfs/dbraw/zinc/16/96/30/535169630.db2.gz ZCHBJHCXZAOMIR-LJQANCHMSA-N 1 2 372.492 3.447 40 0 FGABLO C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000257281145 223049474 /nfs/dbraw/zinc/04/94/74/223049474.db2.gz ONVLPHAXWIKGSB-HXUWFJFHSA-N 1 2 368.412 3.139 40 0 FGABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2C(=O)Cc2cccs2)cc1 ZINC000257295654 223054754 /nfs/dbraw/zinc/05/47/54/223054754.db2.gz QZHWXOOGQOMTNC-QGZVFWFLSA-N 1 2 353.447 3.279 40 0 FGABLO c1c([C@H]2C[N@H+](Cc3cccnc3)CCO2)nc2cccc(-c3ccncc3)n12 ZINC000306133870 223109675 /nfs/dbraw/zinc/10/96/75/223109675.db2.gz MYCYSSQZXWGXGO-OAQYLSRUSA-N 1 2 371.444 3.365 40 0 FGABLO c1c([C@H]2C[N@@H+](Cc3cccnc3)CCO2)nc2cccc(-c3ccncc3)n12 ZINC000306133870 223109679 /nfs/dbraw/zinc/10/96/79/223109679.db2.gz MYCYSSQZXWGXGO-OAQYLSRUSA-N 1 2 371.444 3.365 40 0 FGABLO Cc1cccn2cc(-c3ccc(NC(=O)CNC(=O)c4ccco4)cc3)[nH+]c12 ZINC000013568848 220075302 /nfs/dbraw/zinc/07/53/02/220075302.db2.gz NZFNHJZJEDVXQL-UHFFFAOYSA-N 1 2 374.400 3.271 40 0 FGABLO O[C@H](C[NH+]1CCN(c2nccs2)CC1)c1ccc(Cl)cc1Cl ZINC000019293018 220246623 /nfs/dbraw/zinc/24/66/23/220246623.db2.gz RCGOPBJSALJWEL-CQSZACIVSA-N 1 2 358.294 3.306 40 0 FGABLO COc1ccccc1Oc1nccnc1[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000257306416 532952381 /nfs/dbraw/zinc/95/23/81/532952381.db2.gz SUEVCCOQFGYMQN-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO COc1ccccc1Oc1nccnc1[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000257306416 532952388 /nfs/dbraw/zinc/95/23/88/532952388.db2.gz SUEVCCOQFGYMQN-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO CNc1cc([C@H]2CCCN(C(=O)c3ccc(C(C)C)[nH]c3=O)C2)cc[nH+]1 ZINC000257271728 533054852 /nfs/dbraw/zinc/05/48/52/533054852.db2.gz MZOKCJDFSRFXKH-HNNXBMFYSA-N 1 2 354.454 3.367 40 0 FGABLO COc1ccccc1Nc1cc(N)[nH+]c(-c2ccc(OC)c(OC)c2)n1 ZINC000049468213 221022547 /nfs/dbraw/zinc/02/25/47/221022547.db2.gz ODGHNHHOQFDJNH-UHFFFAOYSA-N 1 2 352.394 3.495 40 0 FGABLO COc1cc([C@H]2[NH2+][C@H](c3ccc(O)c(OC)c3)[C@H](C)C(=O)[C@@H]2C)ccc1O ZINC000055134782 221059886 /nfs/dbraw/zinc/05/98/86/221059886.db2.gz LCWMNVDSZHCUEH-YLYZPZNOSA-N 1 2 371.433 3.342 40 0 FGABLO C[NH+]1CCN(C(=O)c2cccc(-c3nc4ccc(F)cc4s3)c2)CC1 ZINC000059843069 221127350 /nfs/dbraw/zinc/12/73/50/221127350.db2.gz ULMSXBIYSYBWGA-UHFFFAOYSA-N 1 2 355.438 3.490 40 0 FGABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000057669900 136129771 /nfs/dbraw/zinc/12/97/71/136129771.db2.gz RRSICDGWEMZBCD-SFHVURJKSA-N 1 2 356.518 3.338 40 0 FGABLO CC(C)[C@@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669597 136129881 /nfs/dbraw/zinc/12/98/81/136129881.db2.gz ZCHBJHCXZAOMIR-IBGZPJMESA-N 1 2 372.492 3.447 40 0 FGABLO c1cn2c(n1)C[N@H+](Cc1ccsc1)C[C@@H](COCc1ccccn1)C2 ZINC000096059160 222007131 /nfs/dbraw/zinc/00/71/31/222007131.db2.gz IKBWSLHLRNVBCH-QGZVFWFLSA-N 1 2 354.479 3.188 40 0 FGABLO c1cn2c(n1)C[N@@H+](Cc1ccsc1)C[C@@H](COCc1ccccn1)C2 ZINC000096059160 222007135 /nfs/dbraw/zinc/00/71/35/222007135.db2.gz IKBWSLHLRNVBCH-QGZVFWFLSA-N 1 2 354.479 3.188 40 0 FGABLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000004966901 493904546 /nfs/dbraw/zinc/90/45/46/493904546.db2.gz BNVWSXCJDSVRKX-UHFFFAOYSA-N 1 2 368.452 3.345 40 0 FGABLO COc1cccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000038229606 494112578 /nfs/dbraw/zinc/11/25/78/494112578.db2.gz STZQLDHZGCYPQO-UHFFFAOYSA-N 1 2 371.506 3.014 40 0 FGABLO COc1ccc(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000038753893 494117401 /nfs/dbraw/zinc/11/74/01/494117401.db2.gz OXPRACNLZAPMDN-UHFFFAOYSA-N 1 2 356.491 3.132 40 0 FGABLO O=C(C[NH+]1CCC2(CC1)CC(=O)c1ccccc1O2)Nc1ccc(F)cc1 ZINC000039227142 494120092 /nfs/dbraw/zinc/12/00/92/494120092.db2.gz STQUBTXFNVUHTB-UHFFFAOYSA-N 1 2 368.408 3.264 40 0 FGABLO O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378471 494160616 /nfs/dbraw/zinc/16/06/16/494160616.db2.gz HNONUOYTJVHDLO-KRWDZBQOSA-N 1 2 364.424 3.355 40 0 FGABLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000012115023 494205207 /nfs/dbraw/zinc/20/52/07/494205207.db2.gz XJZYMOBYBMNLRR-SFHVURJKSA-N 1 2 359.351 3.286 40 0 FGABLO COc1cccc(C[N@@H+]2CC[C@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)c1 ZINC000012255214 494217959 /nfs/dbraw/zinc/21/79/59/494217959.db2.gz LTMGGZIPKHJCKW-INIZCTEOSA-N 1 2 352.438 3.050 40 0 FGABLO COc1cccc(C[N@H+]2CC[C@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)c1 ZINC000012255214 494217961 /nfs/dbraw/zinc/21/79/61/494217961.db2.gz LTMGGZIPKHJCKW-INIZCTEOSA-N 1 2 352.438 3.050 40 0 FGABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccc(OC)cc3)[nH]2)cc1OCC ZINC000095534512 494989459 /nfs/dbraw/zinc/98/94/59/494989459.db2.gz NMFPEZYFWCGWLV-SFHVURJKSA-N 1 2 368.437 3.326 40 0 FGABLO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccc(OC)cc3)n[nH]2)cc1OCC ZINC000095534512 494989464 /nfs/dbraw/zinc/98/94/64/494989464.db2.gz NMFPEZYFWCGWLV-SFHVURJKSA-N 1 2 368.437 3.326 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](OCc3cccc(C)n3)C2)o1 ZINC000247898228 496925221 /nfs/dbraw/zinc/92/52/21/496925221.db2.gz YKXDSSJCFMLBES-FQEVSTJZSA-N 1 2 352.438 3.089 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@@H](OCc3cccc(C)n3)C2)o1 ZINC000247898228 496925227 /nfs/dbraw/zinc/92/52/27/496925227.db2.gz YKXDSSJCFMLBES-FQEVSTJZSA-N 1 2 352.438 3.089 40 0 FGABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](OCc2csc(C)n2)CS3)no1 ZINC000247948524 496931797 /nfs/dbraw/zinc/93/17/97/496931797.db2.gz XOJYYTGARLJBGP-OAHLLOKOSA-N 1 2 351.497 3.025 40 0 FGABLO c1ccc2nc(C[NH+]3CC4(C3)C[C@@H](Oc3cccnc3)CCO4)ccc2c1 ZINC000248331058 496980064 /nfs/dbraw/zinc/98/00/64/496980064.db2.gz GLIITOCOGJNXIF-IBGZPJMESA-N 1 2 361.445 3.442 40 0 FGABLO O=C(c1snnc1-c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225760139 497074003 /nfs/dbraw/zinc/07/40/03/497074003.db2.gz JJHZTKJZFNSTTN-UHFFFAOYSA-N 1 2 364.474 3.163 40 0 FGABLO CC(C)N1C[NH+]=C2N[C@H]([C@@H]3CC=CCC3)n3c4ccccc4nc3N2C1 ZINC000226313415 497081714 /nfs/dbraw/zinc/08/17/14/497081714.db2.gz WLPPVRIIWXMKSQ-QAPCUYQASA-N 1 2 350.470 3.296 40 0 FGABLO Cc1cc(C)c(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)c(C)c1 ZINC000329060323 499029199 /nfs/dbraw/zinc/02/91/99/499029199.db2.gz WLOWCKSGBBEQIX-KRWDZBQOSA-N 1 2 362.477 3.449 40 0 FGABLO Cc1cc(C(=O)N2CCn3c(CCOCC4CC4)c[nH+]c3[C@@H]2C)c(C)o1 ZINC000585096939 507565959 /nfs/dbraw/zinc/56/59/59/507565959.db2.gz CXNITXWYSQQOOU-AWEZNQCLSA-N 1 2 357.454 3.279 40 0 FGABLO CCOCCc1c[nH+]c2n1CCN(C(=O)Cc1ccc(F)cc1C)[C@@H]2C ZINC000585097874 507566805 /nfs/dbraw/zinc/56/68/05/507566805.db2.gz OLNLXVTWHHFKLR-OAHLLOKOSA-N 1 2 359.445 3.056 40 0 FGABLO Cc1cccc(CO[C@H]2CCOC3(C[NH+](Cc4ccccc4F)C3)C2)n1 ZINC000585105467 507572932 /nfs/dbraw/zinc/57/29/32/507572932.db2.gz XBVFGTUIPJENOZ-IBGZPJMESA-N 1 2 356.441 3.479 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCNC(=O)CC3CC3)C2)cc1 ZINC000585112178 507576111 /nfs/dbraw/zinc/57/61/11/507576111.db2.gz KLSLWXGYBHSLOA-IBGZPJMESA-N 1 2 352.482 3.055 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCNC(=O)CC3CC3)C2)cc1 ZINC000585112178 507576120 /nfs/dbraw/zinc/57/61/20/507576120.db2.gz KLSLWXGYBHSLOA-IBGZPJMESA-N 1 2 352.482 3.055 40 0 FGABLO C[N@@H+]1CCO[C@H](c2cccc(-c3cnc4ccc(C(F)(F)F)cn43)n2)C1 ZINC000585263061 507581519 /nfs/dbraw/zinc/58/15/19/507581519.db2.gz ZGPZGYZNAKMKTG-INIZCTEOSA-N 1 2 362.355 3.418 40 0 FGABLO C[N@H+]1CCO[C@H](c2cccc(-c3cnc4ccc(C(F)(F)F)cn43)n2)C1 ZINC000585263061 507581524 /nfs/dbraw/zinc/58/15/24/507581524.db2.gz ZGPZGYZNAKMKTG-INIZCTEOSA-N 1 2 362.355 3.418 40 0 FGABLO CC(C)Oc1ccc(CNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000020493700 519779607 /nfs/dbraw/zinc/77/96/07/519779607.db2.gz NGLXWPSPUDHDRE-UHFFFAOYSA-N 1 2 368.477 3.236 40 0 FGABLO O=C(c1ccco1)N1CCC2(CCc3[nH+]cc(-c4ccncc4)n3C2)CC1 ZINC000306139835 534757887 /nfs/dbraw/zinc/75/78/87/534757887.db2.gz UBWIQLXUVUBGBS-UHFFFAOYSA-N 1 2 362.433 3.407 40 0 FGABLO CC(=O)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2csc(C)n2)C1 ZINC000306126898 526685960 /nfs/dbraw/zinc/68/59/60/526685960.db2.gz FIJOMPCNWWQBSO-GOSISDBHSA-N 1 2 352.463 3.190 40 0 FGABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+]2Cc2cn(C)cn2)nc(C)n1 ZINC000257213530 223021985 /nfs/dbraw/zinc/02/19/85/223021985.db2.gz CHYMGYRTGQYERL-SFHVURJKSA-N 1 2 363.469 3.303 40 0 FGABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+]2Cc2cn(C)cn2)nc(C)n1 ZINC000257213530 223021989 /nfs/dbraw/zinc/02/19/89/223021989.db2.gz CHYMGYRTGQYERL-SFHVURJKSA-N 1 2 363.469 3.303 40 0 FGABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(Nc4ccccn4)n3)C2)cn1 ZINC000257250240 223037848 /nfs/dbraw/zinc/03/78/48/223037848.db2.gz JLSAWHOFAUQGHG-SFHVURJKSA-N 1 2 364.453 3.010 40 0 FGABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(Nc4ccccn4)n3)C2)cn1 ZINC000257250240 223037851 /nfs/dbraw/zinc/03/78/51/223037851.db2.gz JLSAWHOFAUQGHG-SFHVURJKSA-N 1 2 364.453 3.010 40 0 FGABLO O=C(CC1CCCC1)N1CCC[C@@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257271936 223045246 /nfs/dbraw/zinc/04/52/46/223045246.db2.gz NAKATUYQKAEHNQ-HXUWFJFHSA-N 1 2 357.498 3.158 40 0 FGABLO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000257308796 223060542 /nfs/dbraw/zinc/06/05/42/223060542.db2.gz TYCVFVHOLFLUHC-MRXNPFEDSA-N 1 2 363.469 3.037 40 0 FGABLO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000257308796 223060544 /nfs/dbraw/zinc/06/05/44/223060544.db2.gz TYCVFVHOLFLUHC-MRXNPFEDSA-N 1 2 363.469 3.037 40 0 FGABLO Cc1ccc(CC(=O)N2CCC3(CC(Nc4cc(C)[nH+]cn4)C3)C2)s1 ZINC000257314885 223063585 /nfs/dbraw/zinc/06/35/85/223063585.db2.gz UYYFVSPMEVBEBJ-UHFFFAOYSA-N 1 2 356.495 3.191 40 0 FGABLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2csc(Nc3cnccn3)n2)cn1 ZINC000257318290 223064427 /nfs/dbraw/zinc/06/44/27/223064427.db2.gz VNGIEJPGUNFZJM-HNNXBMFYSA-N 1 2 355.471 3.137 40 0 FGABLO Cn1cc(C[N@H+]2CCCC[C@H]2c2csc(Nc3cnccn3)n2)cn1 ZINC000257318290 223064430 /nfs/dbraw/zinc/06/44/30/223064430.db2.gz VNGIEJPGUNFZJM-HNNXBMFYSA-N 1 2 355.471 3.137 40 0 FGABLO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cn[nH]c3C)C2)n1 ZINC000257340710 223071655 /nfs/dbraw/zinc/07/16/55/223071655.db2.gz ZHGLMQUCZYKOBS-CQSZACIVSA-N 1 2 369.498 3.396 40 0 FGABLO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cn[nH]c3C)C2)n1 ZINC000257340710 223071658 /nfs/dbraw/zinc/07/16/58/223071658.db2.gz ZHGLMQUCZYKOBS-CQSZACIVSA-N 1 2 369.498 3.396 40 0 FGABLO Cc1c([C@H]2C[C@@H]2c2nc3n(n2)C(C)=CNC3C)[nH+]c2c3cccnc3ccn12 ZINC000299754581 223080591 /nfs/dbraw/zinc/08/05/91/223080591.db2.gz VFOUTFQJHQVMEH-RLCCDNCMSA-N 1 2 371.448 3.175 40 0 FGABLO O=C(c1ccco1)N1CC[C@]2(Cc3[nH+]cc(-c4ccc(F)cc4)n3C2)C1 ZINC000306128879 223108815 /nfs/dbraw/zinc/10/88/15/223108815.db2.gz HNKYWPADIDBQSN-FQEVSTJZSA-N 1 2 351.381 3.371 40 0 FGABLO Cc1ccccc1CC(=O)N1CC[C@]2(Cc3[nH+]cc(-c4cccnc4)n3C2)C1 ZINC000306141092 223113752 /nfs/dbraw/zinc/11/37/52/223113752.db2.gz VLCKMNFDMBZLHO-QHCPKHFHSA-N 1 2 372.472 3.271 40 0 FGABLO Cc1nc(C(=O)N2C[C@@H]3c4[nH+]cc(-c5ccsc5)n4C[C@@H]3C2)cs1 ZINC000306143974 223115020 /nfs/dbraw/zinc/11/50/20/223115020.db2.gz YSHMWRXPEDECHZ-STQMWFEESA-N 1 2 356.476 3.246 40 0 FGABLO CC[NH+](CC)CN1c2ccccc2[C@]2(NCCc3c4ccccc4[nH]c32)C1=O ZINC000013635173 220080827 /nfs/dbraw/zinc/08/08/27/220080827.db2.gz PAGSUPZQAWVOKD-HSZRJFAPSA-N 1 2 374.488 3.203 40 0 FGABLO c1csc(-c2nc(NCC[NH+]3CCOCC3)ncc2-c2ccsc2)n1 ZINC000019406734 220256258 /nfs/dbraw/zinc/25/62/58/220256258.db2.gz WLWXJEBIWMDVIO-UHFFFAOYSA-N 1 2 373.507 3.073 40 0 FGABLO C[C@@H](Cn1cncn1)C(=O)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000019457908 220261202 /nfs/dbraw/zinc/26/12/02/220261202.db2.gz BQJRBSSBWGOKHY-HNNXBMFYSA-N 1 2 374.448 3.214 40 0 FGABLO CCOc1ccc(C[N@H+]2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cc1 ZINC000019533385 220268618 /nfs/dbraw/zinc/26/86/18/220268618.db2.gz MNMCRZDRCDMOGH-UHFFFAOYSA-N 1 2 362.433 3.201 40 0 FGABLO COc1cccc(Cc2cnc([C@H]3CCN(c4cc[nH+]c(C)n4)C3)o2)c1 ZINC000257254459 533550651 /nfs/dbraw/zinc/55/06/51/533550651.db2.gz KDDIOFYSNIDRED-INIZCTEOSA-N 1 2 350.422 3.366 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3nccn3C[C@@H](COCc3cccnc3)C2)o1 ZINC000096059148 222007260 /nfs/dbraw/zinc/00/72/60/222007260.db2.gz GZDMJLIICIZTKD-SFHVURJKSA-N 1 2 352.438 3.028 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3nccn3C[C@@H](COCc3cccnc3)C2)o1 ZINC000096059148 222007263 /nfs/dbraw/zinc/00/72/63/222007263.db2.gz GZDMJLIICIZTKD-SFHVURJKSA-N 1 2 352.438 3.028 40 0 FGABLO CN(C)c1cc([C@@H]2c3ccccc3CCCN2C(=O)[C@@H]2CCOC2)cc[nH+]1 ZINC000096087141 222017865 /nfs/dbraw/zinc/01/78/65/222017865.db2.gz RFCXIUNISPGZOO-WIYYLYMNSA-N 1 2 365.477 3.048 40 0 FGABLO Cc1cccc(C(=O)N2CCC3(C[C@@H](Nc4cccc[nH+]4)CO3)CC2)c1 ZINC000096221343 222085364 /nfs/dbraw/zinc/08/53/64/222085364.db2.gz RNJJAWUSHRFEHW-GOSISDBHSA-N 1 2 351.450 3.266 40 0 FGABLO O=C(C[NH+]1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000036011477 494083329 /nfs/dbraw/zinc/08/33/29/494083329.db2.gz SFGCQEPEQDAJMY-UHFFFAOYSA-N 1 2 359.267 3.454 40 0 FGABLO COc1ccccc1CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000012115001 494204908 /nfs/dbraw/zinc/20/49/08/494204908.db2.gz SMBPBAGCNWUUQT-IBGZPJMESA-N 1 2 371.387 3.155 40 0 FGABLO CCc1cc(=O)n2[nH]c([C@@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)cc2n1 ZINC000012276575 494218814 /nfs/dbraw/zinc/21/88/14/494218814.db2.gz HVBBQWYJOZTSPT-CYBMUJFWSA-N 1 2 358.392 3.265 40 0 FGABLO CCc1cc(=O)n2[nH]c([C@@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)cc2n1 ZINC000012276575 494218818 /nfs/dbraw/zinc/21/88/18/494218818.db2.gz HVBBQWYJOZTSPT-CYBMUJFWSA-N 1 2 358.392 3.265 40 0 FGABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3ccc(Cc4ccccc4)cn3)C2)cn1 ZINC000019692218 494454685 /nfs/dbraw/zinc/45/46/85/494454685.db2.gz UGBZZJVLPNKMIW-JOCHJYFZSA-N 1 2 362.477 3.462 40 0 FGABLO CCn1cc(C[N@H+]2CCO[C@@H](c3ccc(Cc4ccccc4)cn3)C2)cn1 ZINC000019692218 494454688 /nfs/dbraw/zinc/45/46/88/494454688.db2.gz UGBZZJVLPNKMIW-JOCHJYFZSA-N 1 2 362.477 3.462 40 0 FGABLO c1cncc(COCC[C@@H]2CCOC3(C[NH+](Cc4cccnc4)C3)C2)c1 ZINC000247896630 496925902 /nfs/dbraw/zinc/92/59/02/496925902.db2.gz VBQGURFLLQHEEO-GOSISDBHSA-N 1 2 353.466 3.065 40 0 FGABLO COC(=O)c1cn(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc12 ZINC000222648123 497026515 /nfs/dbraw/zinc/02/65/15/497026515.db2.gz QPDVDCYSQDOAMP-UHFFFAOYSA-N 1 2 359.385 3.361 40 0 FGABLO Cn1c(=O)sc2cc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC000225070248 497056635 /nfs/dbraw/zinc/05/66/35/497056635.db2.gz GGOJXBKKNFGZDB-UHFFFAOYSA-N 1 2 364.430 3.097 40 0 FGABLO COc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccc(C)n2)CCO3)cc1 ZINC000585105483 507573018 /nfs/dbraw/zinc/57/30/18/507573018.db2.gz XQLVYFFBZIUMDF-NRFANRHFSA-N 1 2 368.477 3.349 40 0 FGABLO Cc1ccccc1C[N@H+]1CCc2oc(C(=O)N3CCC[C@@H](C)C3)nc2C1 ZINC000585113039 507575556 /nfs/dbraw/zinc/57/55/56/507575556.db2.gz XQSTYNRTZPBMTO-OAHLLOKOSA-N 1 2 353.466 3.413 40 0 FGABLO Cc1ccccc1C[N@@H+]1CCc2oc(C(=O)N3CCC[C@@H](C)C3)nc2C1 ZINC000585113039 507575563 /nfs/dbraw/zinc/57/55/63/507575563.db2.gz XQSTYNRTZPBMTO-OAHLLOKOSA-N 1 2 353.466 3.413 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCNC(=O)c3ccco3)C2)cc1 ZINC000585112162 507575659 /nfs/dbraw/zinc/57/56/59/507575659.db2.gz JXQHXPMBRVYDSU-GOSISDBHSA-N 1 2 364.449 3.162 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCNC(=O)c3ccco3)C2)cc1 ZINC000585112162 507575666 /nfs/dbraw/zinc/57/56/66/507575666.db2.gz JXQHXPMBRVYDSU-GOSISDBHSA-N 1 2 364.449 3.162 40 0 FGABLO Cc1ccccc1C[N@H+]1Cc2ccnn2[C@@H](CCNC(=O)CC2CC2)C1 ZINC000585112478 507576563 /nfs/dbraw/zinc/57/65/63/507576563.db2.gz RTJLALDOROGCAV-IBGZPJMESA-N 1 2 352.482 3.055 40 0 FGABLO Cc1ccccc1C[N@@H+]1Cc2ccnn2[C@@H](CCNC(=O)CC2CC2)C1 ZINC000585112478 507576570 /nfs/dbraw/zinc/57/65/70/507576570.db2.gz RTJLALDOROGCAV-IBGZPJMESA-N 1 2 352.482 3.055 40 0 FGABLO CO[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)[C@H]1Cc1ccccc1F ZINC000585276048 507581597 /nfs/dbraw/zinc/58/15/97/507581597.db2.gz IUDLUFIXBMKGMA-OALUTQOASA-N 1 2 359.445 3.051 40 0 FGABLO Cc1nc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C)cc(N(C)C)n1 ZINC000257254274 534609775 /nfs/dbraw/zinc/60/97/75/534609775.db2.gz KCKWHUYBFWJOOI-GOSISDBHSA-N 1 2 350.470 3.075 40 0 FGABLO Cc1nc([C@H]2CCC[N@H+]2Cc2nc3ccccc3n2C)cc(N(C)C)n1 ZINC000257254274 534609780 /nfs/dbraw/zinc/60/97/80/534609780.db2.gz KCKWHUYBFWJOOI-GOSISDBHSA-N 1 2 350.470 3.075 40 0 FGABLO COc1ccc(CSCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000020050842 524124442 /nfs/dbraw/zinc/12/44/42/524124442.db2.gz OKGRZXWFSDIGBQ-UHFFFAOYSA-N 1 2 367.474 3.431 40 0 FGABLO CC(C)[C@H](CO)Nc1nc(NCc2ccccc2)cc(-c2ccncc2)[nH+]1 ZINC000329044275 529024679 /nfs/dbraw/zinc/02/46/79/529024679.db2.gz SWDKSAKFSHDHKB-IBGZPJMESA-N 1 2 363.465 3.001 40 0 FGABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)cn1 ZINC000257258350 223039715 /nfs/dbraw/zinc/03/97/15/223039715.db2.gz KTLOSRUCIOQOEF-QFIPXVFZSA-N 1 2 362.477 3.462 40 0 FGABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)cn1 ZINC000257258350 223039717 /nfs/dbraw/zinc/03/97/17/223039717.db2.gz KTLOSRUCIOQOEF-QFIPXVFZSA-N 1 2 362.477 3.462 40 0 FGABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](C)CO)n2)cc1C(F)(F)F ZINC000329047666 223130655 /nfs/dbraw/zinc/13/06/55/223130655.db2.gz UGHHCEXYEVNSCE-LLVKDONJSA-N 1 2 366.387 3.061 40 0 FGABLO C[N@@H+]1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529953 220002622 /nfs/dbraw/zinc/00/26/22/220002622.db2.gz PTIYSTBDMJTLPX-IRXDYDNUSA-N 1 2 366.396 3.051 40 0 biogenic,in-vitro FGABLO C[N@H+]1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529953 220002624 /nfs/dbraw/zinc/00/26/24/220002624.db2.gz PTIYSTBDMJTLPX-IRXDYDNUSA-N 1 2 366.396 3.051 40 0 biogenic,in-vitro FGABLO COc1ccc(C[N@@H+]2CC[C@H](c3cc4nc(C)cc(=O)n4[nH]3)C2)c(C)c1C ZINC000013225708 220061570 /nfs/dbraw/zinc/06/15/70/220061570.db2.gz WJWLENNRYVUAMO-KRWDZBQOSA-N 1 2 366.465 3.358 40 0 FGABLO COc1ccc(C[N@H+]2CC[C@H](c3cc4nc(C)cc(=O)n4[nH]3)C2)c(C)c1C ZINC000013225708 220061574 /nfs/dbraw/zinc/06/15/74/220061574.db2.gz WJWLENNRYVUAMO-KRWDZBQOSA-N 1 2 366.465 3.358 40 0 FGABLO O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000015674486 220159536 /nfs/dbraw/zinc/15/95/36/220159536.db2.gz PIBYYHDGMBXHDP-CVEARBPZSA-N 1 2 356.813 3.093 40 0 biogenic,in-vitro FGABLO O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000015674486 220159538 /nfs/dbraw/zinc/15/95/38/220159538.db2.gz PIBYYHDGMBXHDP-CVEARBPZSA-N 1 2 356.813 3.093 40 0 biogenic,in-vitro FGABLO Cc1nc2c(c(N(C)CCc3ccccn3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000019286148 220246740 /nfs/dbraw/zinc/24/67/40/220246740.db2.gz XIJYWSNTXLSTQQ-UHFFFAOYSA-N 1 2 373.504 3.417 40 0 FGABLO Cc1nc2c(c(N(C)CCc3ccccn3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000019286148 220246743 /nfs/dbraw/zinc/24/67/43/220246743.db2.gz XIJYWSNTXLSTQQ-UHFFFAOYSA-N 1 2 373.504 3.417 40 0 FGABLO Cn1cc(C[N@@H+]2CCO[C@H](C(=O)Nc3ccccc3)C2)c2cc(F)ccc21 ZINC000019747644 220293713 /nfs/dbraw/zinc/29/37/13/220293713.db2.gz KNKSBBCMMOJIJD-FQEVSTJZSA-N 1 2 367.424 3.157 40 0 FGABLO Cn1cc(C[N@H+]2CCO[C@H](C(=O)Nc3ccccc3)C2)c2cc(F)ccc21 ZINC000019747644 220293717 /nfs/dbraw/zinc/29/37/17/220293717.db2.gz KNKSBBCMMOJIJD-FQEVSTJZSA-N 1 2 367.424 3.157 40 0 FGABLO Fc1ccccc1C[NH2+]C1(Cc2cc(COc3ccccc3)on2)COC1 ZINC000067898160 221302458 /nfs/dbraw/zinc/30/24/58/221302458.db2.gz XPZZVZKOIDMDAZ-UHFFFAOYSA-N 1 2 368.408 3.494 40 0 biogenic,in-vitro FGABLO Cc1csc(Nc2nccnc2C2CCN(c3cc[nH+]c(C)n3)CC2)n1 ZINC000257262306 132295797 /nfs/dbraw/zinc/29/57/97/132295797.db2.gz LKWZSTIDTBVRSC-UHFFFAOYSA-N 1 2 367.482 3.468 40 0 FGABLO O=C(Cc1ccc(F)cc1)N1CCC2(C[C@@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221363 222085483 /nfs/dbraw/zinc/08/54/83/222085483.db2.gz JQZPRAWGAVQWAM-GOSISDBHSA-N 1 2 369.440 3.025 40 0 FGABLO CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038854423 494118624 /nfs/dbraw/zinc/11/86/24/494118624.db2.gz JWOUVSAZNFRMGK-UHFFFAOYSA-N 1 2 362.433 3.322 40 0 FGABLO COc1ccc(C[N@@H+]2C[C@H]3ON=C(c4ccccc4F)[C@@H]3C2)cc1OC ZINC000072343299 494154595 /nfs/dbraw/zinc/15/45/95/494154595.db2.gz KUXNHKSWJHECTQ-DNVCBOLYSA-N 1 2 356.397 3.078 40 0 FGABLO COc1ccc(C[N@H+]2C[C@H]3ON=C(c4ccccc4F)[C@@H]3C2)cc1OC ZINC000072343299 494154599 /nfs/dbraw/zinc/15/45/99/494154599.db2.gz KUXNHKSWJHECTQ-DNVCBOLYSA-N 1 2 356.397 3.078 40 0 FGABLO O=C(CCCc1ccccc1)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378554 494160807 /nfs/dbraw/zinc/16/08/07/494160807.db2.gz HDMUBIRUFTZUKX-LJQANCHMSA-N 1 2 361.449 3.349 40 0 FGABLO O=C(c1ccc(F)cc1)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378384 494161104 /nfs/dbraw/zinc/16/11/04/494161104.db2.gz GOZLHXGNKMIMEJ-INIZCTEOSA-N 1 2 350.397 3.426 40 0 FGABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2nnc(C)s2)CC1 ZINC000012116370 494206219 /nfs/dbraw/zinc/20/62/19/494206219.db2.gz YLIPEPYCFOPNEY-UHFFFAOYSA-N 1 2 370.482 3.071 40 0 FGABLO CCc1ncc(C[N@@H+](Cc2ccc(OC)cc2OC)C[C@@H]2CCCO2)cn1 ZINC000012187232 494211389 /nfs/dbraw/zinc/21/13/89/494211389.db2.gz LHEMMWAJLJUZGA-IBGZPJMESA-N 1 2 371.481 3.237 40 0 FGABLO CCc1ncc(C[N@H+](Cc2ccc(OC)cc2OC)C[C@@H]2CCCO2)cn1 ZINC000012187232 494211393 /nfs/dbraw/zinc/21/13/93/494211393.db2.gz LHEMMWAJLJUZGA-IBGZPJMESA-N 1 2 371.481 3.237 40 0 FGABLO COc1ccc(-c2nc(N3C[C@@H](C)O[C@@H](C)C3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012221184 494215244 /nfs/dbraw/zinc/21/52/44/494215244.db2.gz ONXFMJMBSLBYDH-OKILXGFUSA-N 1 2 365.437 3.156 40 0 FGABLO CCn1cc(C[N@@H+]2CCO[C@H](c3ccc(Cc4ccccc4)cn3)C2)cn1 ZINC000019692219 494455293 /nfs/dbraw/zinc/45/52/93/494455293.db2.gz UGBZZJVLPNKMIW-QFIPXVFZSA-N 1 2 362.477 3.462 40 0 FGABLO CCn1cc(C[N@H+]2CCO[C@H](c3ccc(Cc4ccccc4)cn3)C2)cn1 ZINC000019692219 494455297 /nfs/dbraw/zinc/45/52/97/494455297.db2.gz UGBZZJVLPNKMIW-QFIPXVFZSA-N 1 2 362.477 3.462 40 0 FGABLO COc1ccc([C@@H]([NH3+])c2nc(COc3ccc(Cl)cc3)n[nH]2)cc1OC ZINC000095533793 494989902 /nfs/dbraw/zinc/98/99/02/494989902.db2.gz YMFHHDPNDYXBTH-QGZVFWFLSA-N 1 2 374.828 3.102 40 0 FGABLO Cc1csc(C[NH+]2CC3(C2)C[C@H](Oc2ncccc2F)CS3)n1 ZINC000247966856 496934529 /nfs/dbraw/zinc/93/45/29/496934529.db2.gz QSKZCUGMNPMNIJ-LBPRGKRZSA-N 1 2 351.472 3.125 40 0 FGABLO CN(C(=O)NCc1cn2c([nH+]1)CCCC2)[C@H]1CCCN(c2ccccc2)C1 ZINC000265237640 497079189 /nfs/dbraw/zinc/07/91/89/497079189.db2.gz OEGZFPCAFAWVNM-IBGZPJMESA-N 1 2 367.497 3.030 40 0 FGABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](CCNc3ccccn3)C2)n(C)n1 ZINC000585095558 507566227 /nfs/dbraw/zinc/56/62/27/507566227.db2.gz WXQZKBNTRJAADY-SFHVURJKSA-N 1 2 364.497 3.059 40 0 FGABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](CCNc3ccccn3)C2)n(C)n1 ZINC000585095558 507566233 /nfs/dbraw/zinc/56/62/33/507566233.db2.gz WXQZKBNTRJAADY-SFHVURJKSA-N 1 2 364.497 3.059 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCNC(=O)C3CCC3)C2)s1 ZINC000585112805 507575980 /nfs/dbraw/zinc/57/59/80/507575980.db2.gz WRSIDLPODPCHPJ-INIZCTEOSA-N 1 2 358.511 3.116 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCNC(=O)C3CCC3)C2)s1 ZINC000585112805 507575989 /nfs/dbraw/zinc/57/59/89/507575989.db2.gz WRSIDLPODPCHPJ-INIZCTEOSA-N 1 2 358.511 3.116 40 0 FGABLO c1cncc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328963884 534506307 /nfs/dbraw/zinc/50/63/07/534506307.db2.gz BSHODUOXHFGHCR-UHFFFAOYSA-N 1 2 360.465 3.134 40 0 FGABLO CC(C)[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057669726 535169527 /nfs/dbraw/zinc/16/95/27/535169527.db2.gz CPWZSJOQKXQRCA-QGZVFWFLSA-N 1 2 360.481 3.087 40 0 FGABLO CCC[C@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2ccccc2)CC1 ZINC000057669863 535722639 /nfs/dbraw/zinc/72/26/39/535722639.db2.gz DSKWXEBBEIMQIY-GOSISDBHSA-N 1 2 356.518 3.482 40 0 FGABLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257331625 223067660 /nfs/dbraw/zinc/06/76/60/223067660.db2.gz XTPQSKLNSVOWOH-UGKGYDQZSA-N 1 2 368.477 3.146 40 0 FGABLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257331625 223067663 /nfs/dbraw/zinc/06/76/63/223067663.db2.gz XTPQSKLNSVOWOH-UGKGYDQZSA-N 1 2 368.477 3.146 40 0 FGABLO COc1ccc(F)c(C[N@@H+]2CC[C@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)c1 ZINC000012745844 220023226 /nfs/dbraw/zinc/02/32/26/220023226.db2.gz LHAXFBWUCHXRPL-AWEZNQCLSA-N 1 2 370.428 3.189 40 0 FGABLO COc1ccc(F)c(C[N@H+]2CC[C@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)c1 ZINC000012745844 220023230 /nfs/dbraw/zinc/02/32/30/220023230.db2.gz LHAXFBWUCHXRPL-AWEZNQCLSA-N 1 2 370.428 3.189 40 0 FGABLO COc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(C(C)C)no2)cc1 ZINC000015675710 220160311 /nfs/dbraw/zinc/16/03/11/220160311.db2.gz LQMAHINWFKQKCY-KRWDZBQOSA-N 1 2 353.426 3.224 40 0 biogenic,in-vitro FGABLO Cc1csc2c(C3CCN(C(=O)CCCn4cc[nH+]c4)CC3)nc(C)n12 ZINC000019240544 220243385 /nfs/dbraw/zinc/24/33/85/220243385.db2.gz UDCSUIAVVCXPFM-UHFFFAOYSA-N 1 2 371.510 3.396 40 0 FGABLO COc1ccc(Oc2nccnc2[C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)cc1 ZINC000257245541 533036691 /nfs/dbraw/zinc/03/66/91/533036691.db2.gz IQAGXBGVEMFOKF-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO COc1ccc(Oc2nccnc2[C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)cc1 ZINC000257245541 533036694 /nfs/dbraw/zinc/03/66/94/533036694.db2.gz IQAGXBGVEMFOKF-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO COc1ccc(Oc2nccnc2[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)cc1 ZINC000257245541 533036699 /nfs/dbraw/zinc/03/66/99/533036699.db2.gz IQAGXBGVEMFOKF-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO COc1ccc(Oc2nccnc2[C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)cc1 ZINC000257245541 533036704 /nfs/dbraw/zinc/03/67/04/533036704.db2.gz IQAGXBGVEMFOKF-OAHLLOKOSA-N 1 2 365.437 3.380 40 0 FGABLO CCn1cc(C[N@@H+](Cc2cc(OC)ccc2OC)C[C@@H]2CCCO2)c(C)n1 ZINC000057811282 221094281 /nfs/dbraw/zinc/09/42/81/221094281.db2.gz PMZBVRMVLMZIIL-FQEVSTJZSA-N 1 2 373.497 3.410 40 0 FGABLO CCn1cc(C[N@H+](Cc2cc(OC)ccc2OC)C[C@@H]2CCCO2)c(C)n1 ZINC000057811282 221094282 /nfs/dbraw/zinc/09/42/82/221094282.db2.gz PMZBVRMVLMZIIL-FQEVSTJZSA-N 1 2 373.497 3.410 40 0 FGABLO Cc1ccc(C[NH2+]C2(Cc3cc(COc4ccccc4)on3)COC2)o1 ZINC000067898177 221302910 /nfs/dbraw/zinc/30/29/10/221302910.db2.gz CKYHNEXWDIJMCL-UHFFFAOYSA-N 1 2 354.406 3.256 40 0 biogenic,in-vitro FGABLO CC[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057669655 136129858 /nfs/dbraw/zinc/12/98/58/136129858.db2.gz VKZQVEUSAKUVPO-QGZVFWFLSA-N 1 2 356.518 3.318 40 0 FGABLO CC[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669647 136129924 /nfs/dbraw/zinc/12/99/24/136129924.db2.gz DUSYURYUAZSEJD-QGZVFWFLSA-N 1 2 356.518 3.318 40 0 FGABLO COc1cc2c(c(OC)c1OC)C[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N@H+]1C ZINC000002048887 493800336 /nfs/dbraw/zinc/80/03/36/493800336.db2.gz SQAYCDKOCYEIQZ-CQSZACIVSA-N 1 2 369.417 3.193 40 0 FGABLO COc1cc2c(c(OC)c1OC)C[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N@@H+]1C ZINC000002048887 493800337 /nfs/dbraw/zinc/80/03/37/493800337.db2.gz SQAYCDKOCYEIQZ-CQSZACIVSA-N 1 2 369.417 3.193 40 0 FGABLO CC(=O)Nc1ccc(C(=O)C[C@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000031628054 493952100 /nfs/dbraw/zinc/95/21/00/493952100.db2.gz XSAWEFRIRWTHPY-HXUWFJFHSA-N 1 2 352.434 3.291 40 0 FGABLO O=C1N[C@@]2(C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(F)c2)Nc2ccccc21 ZINC000072327434 494152601 /nfs/dbraw/zinc/15/26/01/494152601.db2.gz FWIHCLCSJOVVKI-ORPRQENYSA-N 1 2 355.388 3.253 40 0 FGABLO O=C1N[C@@]2(C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(F)c2)Nc2ccccc21 ZINC000072327434 494152605 /nfs/dbraw/zinc/15/26/05/494152605.db2.gz FWIHCLCSJOVVKI-ORPRQENYSA-N 1 2 355.388 3.253 40 0 FGABLO CCc1[nH+]ccn1-c1cncc(C2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000072355335 494157204 /nfs/dbraw/zinc/15/72/04/494157204.db2.gz VTVCUOMDRWXMBU-UHFFFAOYSA-N 1 2 361.449 3.245 40 0 FGABLO CCn1nc(C)c(NC(=O)C[NH+]2CCC(Oc3ccccc3C)CC2)c1C ZINC000072391817 494162340 /nfs/dbraw/zinc/16/23/40/494162340.db2.gz IROWYAQPEMGZJD-UHFFFAOYSA-N 1 2 370.497 3.310 40 0 FGABLO Cc1cc(-c2cnc(NCCc3c[nH]c[nH+]3)nc2-c2ccoc2C)on1 ZINC000012088363 494202275 /nfs/dbraw/zinc/20/22/75/494202275.db2.gz PZICEYBTEPDFCL-UHFFFAOYSA-N 1 2 350.382 3.386 40 0 FGABLO Cc1cc(-c2cnc(NCCc3c[nH+]c[nH]3)nc2-c2ccoc2C)on1 ZINC000012088363 494202280 /nfs/dbraw/zinc/20/22/80/494202280.db2.gz PZICEYBTEPDFCL-UHFFFAOYSA-N 1 2 350.382 3.386 40 0 FGABLO COc1ccccc1[C@H](NC(=O)[C@H](OC)c1ccccc1)c1[nH+]ccn1C ZINC000012114907 494205215 /nfs/dbraw/zinc/20/52/15/494205215.db2.gz SZGRFASIVVNAIJ-RBUKOAKNSA-N 1 2 365.433 3.022 40 0 FGABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](CCc4ccccc4)C3)[nH]n2c1=O ZINC000012276358 494219445 /nfs/dbraw/zinc/21/94/45/494219445.db2.gz SERIWLKKZXTKPC-QGZVFWFLSA-N 1 2 350.466 3.338 40 0 FGABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](CCc4ccccc4)C3)[nH]n2c1=O ZINC000012276358 494219452 /nfs/dbraw/zinc/21/94/52/494219452.db2.gz SERIWLKKZXTKPC-QGZVFWFLSA-N 1 2 350.466 3.338 40 0 FGABLO CC(C)C[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000013503963 494288542 /nfs/dbraw/zinc/28/85/42/494288542.db2.gz CPODDUNUUJKBKN-SFHVURJKSA-N 1 2 356.518 3.338 40 0 FGABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)N1CCCCO1)N(Cc1ccccc1)CC2 ZINC000096037533 494997623 /nfs/dbraw/zinc/99/76/23/494997623.db2.gz VORSPBIRVMEKIT-FQEVSTJZSA-N 1 2 368.481 3.117 40 0 FGABLO COC[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045111 494998691 /nfs/dbraw/zinc/99/86/91/494998691.db2.gz VHBZBXLUIXTHSI-LQYUOIDQSA-N 1 2 357.479 3.140 40 0 FGABLO Cc1nc(CO[C@@H]2CCOC3(C[NH+](Cc4scnc4C)C3)C2)cs1 ZINC000248026646 496945193 /nfs/dbraw/zinc/94/51/93/496945193.db2.gz KJUHCPOVJRSDCA-OAHLLOKOSA-N 1 2 365.524 3.167 40 0 FGABLO Cc1ccccc1-c1noc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000223226293 497033620 /nfs/dbraw/zinc/03/36/20/497033620.db2.gz DCRJIKSIBURGEH-UHFFFAOYSA-N 1 2 373.416 3.220 40 0 FGABLO Cc1nc(NC2=[NH+]CN([C@@H]3CCC[C@@H](C)[C@@H]3C)CN2)nc2ccccc12 ZINC000226316187 497081921 /nfs/dbraw/zinc/08/19/21/497081921.db2.gz HSZAZYDQEZJAEE-QWQRMKEZSA-N 1 2 352.486 3.351 40 0 FGABLO Fc1ccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000328963412 499000368 /nfs/dbraw/zinc/00/03/68/499000368.db2.gz BMSIWNMETROJPN-UHFFFAOYSA-N 1 2 363.440 3.488 40 0 FGABLO Cc1cccc(CO[C@@H]2CCOC3(C[NH+](Cc4cccc(F)c4)C3)C2)n1 ZINC000585105395 507572309 /nfs/dbraw/zinc/57/23/09/507572309.db2.gz VZHLRIHMWCEFNK-HXUWFJFHSA-N 1 2 356.441 3.479 40 0 FGABLO COc1cc(F)ccc1C(=O)N1CCc2[nH+]cc(-c3ccccc3)n2CC1 ZINC000585111141 507574520 /nfs/dbraw/zinc/57/45/20/507574520.db2.gz GIUDZQQSIPMSPA-UHFFFAOYSA-N 1 2 365.408 3.396 40 0 FGABLO O=C(NCC[C@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)c1ccsc1 ZINC000585111956 507575754 /nfs/dbraw/zinc/57/57/54/507575754.db2.gz FPWTXDQZKWTOEJ-HNNXBMFYSA-N 1 2 372.519 3.383 40 0 FGABLO O=C(NCC[C@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)c1ccsc1 ZINC000585111956 507575758 /nfs/dbraw/zinc/57/57/58/507575758.db2.gz FPWTXDQZKWTOEJ-HNNXBMFYSA-N 1 2 372.519 3.383 40 0 FGABLO O=C(NCC[C@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21)c1ccsc1 ZINC000585112695 507576981 /nfs/dbraw/zinc/57/69/81/507576981.db2.gz VLSKFTUJNDEKJF-INIZCTEOSA-N 1 2 372.519 3.383 40 0 FGABLO O=C(NCC[C@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21)c1ccsc1 ZINC000585112695 507576989 /nfs/dbraw/zinc/57/69/89/507576989.db2.gz VLSKFTUJNDEKJF-INIZCTEOSA-N 1 2 372.519 3.383 40 0 FGABLO Cc1ccc(-c2cn3c4c(n(C)c3[nH+]2)CCN(C(=O)c2ccco2)C4)cc1 ZINC000306132036 534193815 /nfs/dbraw/zinc/19/38/15/534193815.db2.gz KWDUKAZRSFVGNJ-UHFFFAOYSA-N 1 2 360.417 3.440 40 0 FGABLO OCCCNc1nc(NCc2ccccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328995177 534361941 /nfs/dbraw/zinc/36/19/41/534361941.db2.gz JHABCVCHEQRODQ-UHFFFAOYSA-N 1 2 368.868 3.047 40 0 FGABLO OCCCNc1nc(Nc2ccccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329070586 534362191 /nfs/dbraw/zinc/36/21/91/534362191.db2.gz ZHZZBMVMBZZXKV-UHFFFAOYSA-N 1 2 354.841 3.179 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000306136755 534877824 /nfs/dbraw/zinc/87/78/24/534877824.db2.gz QCPMOKFQRUVQRI-AZUAARDMSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000306136755 534877826 /nfs/dbraw/zinc/87/78/26/534877826.db2.gz QCPMOKFQRUVQRI-AZUAARDMSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000306125534 534877840 /nfs/dbraw/zinc/87/78/40/534877840.db2.gz CTJDLGBZWSQUSJ-UYAOXDASSA-N 1 2 366.442 3.097 40 0 FGABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000306125534 534877843 /nfs/dbraw/zinc/87/78/43/534877843.db2.gz CTJDLGBZWSQUSJ-UYAOXDASSA-N 1 2 366.442 3.097 40 0 FGABLO CC(C)n1cc(C[N@H+]2Cc3cccn3C[C@H](Oc3cccnc3)C2)cn1 ZINC000306140198 528564959 /nfs/dbraw/zinc/56/49/59/528564959.db2.gz UMPHULCCTFTXLJ-HXUWFJFHSA-N 1 2 351.454 3.124 40 0 FGABLO CC(C)n1cc(C[N@@H+]2Cc3cccn3C[C@H](Oc3cccnc3)C2)cn1 ZINC000306140198 528564962 /nfs/dbraw/zinc/56/49/62/528564962.db2.gz UMPHULCCTFTXLJ-HXUWFJFHSA-N 1 2 351.454 3.124 40 0 FGABLO O=C(CSCc1ccccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000222699637 568555097 /nfs/dbraw/zinc/55/50/97/568555097.db2.gz VCJPRSVGUXMTBD-UHFFFAOYSA-N 1 2 358.482 3.403 40 0 FGABLO CC[C@H](C)Nc1nc(NCc2cccc(OC)c2)cc(-c2cccnc2)[nH+]1 ZINC000328976799 529701847 /nfs/dbraw/zinc/70/18/47/529701847.db2.gz FPZVIMPGMFFKIZ-HNNXBMFYSA-N 1 2 363.465 3.214 40 0 FGABLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257209991 223020256 /nfs/dbraw/zinc/02/02/56/223020256.db2.gz BSRKAQYEDAPFMO-MRXNPFEDSA-N 1 2 368.412 3.007 40 0 FGABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+]2Cc2ccnn2C)nc(C)n1 ZINC000257222708 223026778 /nfs/dbraw/zinc/02/67/78/223026778.db2.gz DUKFFTZKRGAIEM-GOSISDBHSA-N 1 2 363.469 3.303 40 0 FGABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+]2Cc2ccnn2C)nc(C)n1 ZINC000257222708 223026781 /nfs/dbraw/zinc/02/67/81/223026781.db2.gz DUKFFTZKRGAIEM-GOSISDBHSA-N 1 2 363.469 3.303 40 0 FGABLO Cc1c[nH+]c2n1C[C@@H](c1ccccc1)N(C(=O)Cc1c(C)noc1C)C2 ZINC000257242433 223034570 /nfs/dbraw/zinc/03/45/70/223034570.db2.gz ICLWJPRIQWWYDC-SFHVURJKSA-N 1 2 350.422 3.123 40 0 FGABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@@H+](Cc1cc(F)cc(F)c1)C2 ZINC000012667110 220016524 /nfs/dbraw/zinc/01/65/24/220016524.db2.gz BUNFTSMIPMOJFU-UHFFFAOYSA-N 1 2 356.376 3.149 40 0 FGABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@H+](Cc1cc(F)cc(F)c1)C2 ZINC000012667110 220016526 /nfs/dbraw/zinc/01/65/26/220016526.db2.gz BUNFTSMIPMOJFU-UHFFFAOYSA-N 1 2 356.376 3.149 40 0 FGABLO Cc1nc(C)c(CC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)s1 ZINC000019560478 220271721 /nfs/dbraw/zinc/27/17/21/220271721.db2.gz MCBVUQAKQBJTBJ-KRWDZBQOSA-N 1 2 358.442 3.081 40 0 FGABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1Cc1ccnn1C(C)C ZINC000257242472 533028664 /nfs/dbraw/zinc/02/86/64/533028664.db2.gz ICSGEVUAJDHZJZ-GOSISDBHSA-N 1 2 351.454 3.426 40 0 FGABLO COc1ccc(Oc2nccnc2[C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)cc1 ZINC000257245540 533036891 /nfs/dbraw/zinc/03/68/91/533036891.db2.gz IQAGXBGVEMFOKF-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1ccc(Oc2nccnc2[C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)cc1 ZINC000257245540 533036898 /nfs/dbraw/zinc/03/68/98/533036898.db2.gz IQAGXBGVEMFOKF-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1ccc(Oc2nccnc2[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)cc1 ZINC000257245540 533036901 /nfs/dbraw/zinc/03/69/01/533036901.db2.gz IQAGXBGVEMFOKF-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO COc1ccc(Oc2nccnc2[C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)cc1 ZINC000257245540 533036905 /nfs/dbraw/zinc/03/69/05/533036905.db2.gz IQAGXBGVEMFOKF-HNNXBMFYSA-N 1 2 365.437 3.380 40 0 FGABLO C[C@H]1CCC[N@@H+]([C@H](c2nnnn2CCc2ccccc2)c2ccncc2)C1 ZINC000057710453 221093139 /nfs/dbraw/zinc/09/31/39/221093139.db2.gz BOVVBDPYSPKODZ-PXNSSMCTSA-N 1 2 362.481 3.132 40 0 FGABLO C[C@H]1CCC[N@H+]([C@H](c2nnnn2CCc2ccccc2)c2ccncc2)C1 ZINC000057710453 221093141 /nfs/dbraw/zinc/09/31/41/221093141.db2.gz BOVVBDPYSPKODZ-PXNSSMCTSA-N 1 2 362.481 3.132 40 0 FGABLO CC[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669644 136129895 /nfs/dbraw/zinc/12/98/95/136129895.db2.gz DUSYURYUAZSEJD-KRWDZBQOSA-N 1 2 356.518 3.318 40 0 FGABLO COc1ccc(C)cc1C[N@@H+]1CC[C@@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000100775423 222252888 /nfs/dbraw/zinc/25/28/88/222252888.db2.gz MIKFHRWIIQWVPK-MRXNPFEDSA-N 1 2 366.465 3.358 40 0 FGABLO COc1ccc(C)cc1C[N@H+]1CC[C@@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000100775423 222252890 /nfs/dbraw/zinc/25/28/90/222252890.db2.gz MIKFHRWIIQWVPK-MRXNPFEDSA-N 1 2 366.465 3.358 40 0 FGABLO CC1CC[NH+]([C@@H](c2nnnn2Cc2ccccc2)c2ccc(O)cc2)CC1 ZINC000004847732 493896153 /nfs/dbraw/zinc/89/61/53/493896153.db2.gz SZYWXNIAJGBZLQ-HXUWFJFHSA-N 1 2 363.465 3.248 40 0 FGABLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc2c(c1)CCCC2 ZINC000038733358 494117912 /nfs/dbraw/zinc/11/79/12/494117912.db2.gz MRKMTOCHOICQED-UHFFFAOYSA-N 1 2 364.489 3.328 40 0 FGABLO O=C1N[C@]2(C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(F)c(F)c2)Nc2ccccc21 ZINC000072327433 494152740 /nfs/dbraw/zinc/15/27/40/494152740.db2.gz FWIHCLCSJOVVKI-MJWYBRSISA-N 1 2 355.388 3.253 40 0 FGABLO O=C1N[C@]2(C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(F)c(F)c2)Nc2ccccc21 ZINC000072327433 494152744 /nfs/dbraw/zinc/15/27/44/494152744.db2.gz FWIHCLCSJOVVKI-MJWYBRSISA-N 1 2 355.388 3.253 40 0 FGABLO CNc1nc([C@H]2CCCCN2C(=O)CC2CCCC2)nc2c1C[N@H+](C)CC2 ZINC000072372189 494159954 /nfs/dbraw/zinc/15/99/54/494159954.db2.gz NEYRMMVGCAKMIV-GOSISDBHSA-N 1 2 371.529 3.140 40 0 FGABLO CNc1nc([C@H]2CCCCN2C(=O)CC2CCCC2)nc2c1C[N@@H+](C)CC2 ZINC000072372189 494159958 /nfs/dbraw/zinc/15/99/58/494159958.db2.gz NEYRMMVGCAKMIV-GOSISDBHSA-N 1 2 371.529 3.140 40 0 FGABLO C[C@]12C[N@H+](Cc3ccc(Cl)cc3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000072395563 494163519 /nfs/dbraw/zinc/16/35/19/494163519.db2.gz OMMKQQYXEVFVCN-XLIONFOSSA-N 1 2 354.837 3.157 40 0 FGABLO C[C@]12C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000072395563 494163526 /nfs/dbraw/zinc/16/35/26/494163526.db2.gz OMMKQQYXEVFVCN-XLIONFOSSA-N 1 2 354.837 3.157 40 0 FGABLO COc1ccc(CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)c(F)c2)cc1 ZINC000012115004 494204820 /nfs/dbraw/zinc/20/48/20/494204820.db2.gz NVFHVPNZFSQKIY-LJQANCHMSA-N 1 2 371.387 3.155 40 0 FGABLO COc1ccccc1NC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000012116307 494205819 /nfs/dbraw/zinc/20/58/19/494205819.db2.gz GLVCLRCYMAQONQ-UHFFFAOYSA-N 1 2 364.449 3.437 40 0 FGABLO CCc1ncc(C[N@@H+](Cc2cc(OC)ccc2OC)C[C@H]2CCCO2)cn1 ZINC000012187505 494211484 /nfs/dbraw/zinc/21/14/84/494211484.db2.gz CWLBYYUSUUVLMP-LJQANCHMSA-N 1 2 371.481 3.237 40 0 FGABLO CCc1ncc(C[N@H+](Cc2cc(OC)ccc2OC)C[C@H]2CCCO2)cn1 ZINC000012187505 494211487 /nfs/dbraw/zinc/21/14/87/494211487.db2.gz CWLBYYUSUUVLMP-LJQANCHMSA-N 1 2 371.481 3.237 40 0 FGABLO CCn1cc(C[N@@H+](Cc2ccc(OC)cc2OC)C[C@H]2CCCO2)c(C)n1 ZINC000012187222 494211591 /nfs/dbraw/zinc/21/15/91/494211591.db2.gz UKLXAYHNQBEVNI-HXUWFJFHSA-N 1 2 373.497 3.410 40 0 FGABLO CCn1cc(C[N@H+](Cc2ccc(OC)cc2OC)C[C@H]2CCCO2)c(C)n1 ZINC000012187222 494211597 /nfs/dbraw/zinc/21/15/97/494211597.db2.gz UKLXAYHNQBEVNI-HXUWFJFHSA-N 1 2 373.497 3.410 40 0 FGABLO CCc1cc(C(=O)N2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)no1 ZINC000019522663 494447710 /nfs/dbraw/zinc/44/77/10/494447710.db2.gz XQSOXKSNEXLXJP-UHFFFAOYSA-N 1 2 350.422 3.056 40 0 FGABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(OC)cc3)[nH]2)cc1OCC ZINC000095534513 494989887 /nfs/dbraw/zinc/98/98/87/494989887.db2.gz NMFPEZYFWCGWLV-GOSISDBHSA-N 1 2 368.437 3.326 40 0 FGABLO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccc(OC)cc3)n[nH]2)cc1OCC ZINC000095534513 494989888 /nfs/dbraw/zinc/98/98/88/494989888.db2.gz NMFPEZYFWCGWLV-GOSISDBHSA-N 1 2 368.437 3.326 40 0 FGABLO CCOc1ccc([C@@H]([NH3+])c2nc(COc3ccccc3)n[nH]2)cc1OCC ZINC000095534505 494989910 /nfs/dbraw/zinc/98/99/10/494989910.db2.gz YEFTXZPKOBZZNG-LJQANCHMSA-N 1 2 368.437 3.229 40 0 FGABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCO)n2)cc1Cl ZINC000328988307 499008091 /nfs/dbraw/zinc/00/80/91/499008091.db2.gz IFXKZHKIGLQQHR-UHFFFAOYSA-N 1 2 354.841 3.097 40 0 FGABLO OCCNc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329033697 499021873 /nfs/dbraw/zinc/02/18/73/499021873.db2.gz QURFAGMISRGFRR-UHFFFAOYSA-N 1 2 374.366 3.154 40 0 FGABLO Cc1ccoc1C(=O)N1CCn2c(CCOCC3CCC3)c[nH+]c2[C@H]1C ZINC000585098596 507566524 /nfs/dbraw/zinc/56/65/24/507566524.db2.gz VDVIQAVALOZTTN-OAHLLOKOSA-N 1 2 357.454 3.361 40 0 FGABLO Cc1c(F)cccc1C(=O)N1CCc2[nH+]cc(-c3cccnc3)n2CC1 ZINC000585111339 507575023 /nfs/dbraw/zinc/57/50/23/507575023.db2.gz PAAVUUKCWPALJG-UHFFFAOYSA-N 1 2 350.397 3.091 40 0 FGABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCNC(=O)CC3CC3)C2)s1 ZINC000585112854 507577092 /nfs/dbraw/zinc/57/70/92/507577092.db2.gz XGMPXEFZDFYASF-MRXNPFEDSA-N 1 2 358.511 3.116 40 0 FGABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCNC(=O)CC3CC3)C2)s1 ZINC000585112854 507577096 /nfs/dbraw/zinc/57/70/96/507577096.db2.gz XGMPXEFZDFYASF-MRXNPFEDSA-N 1 2 358.511 3.116 40 0 FGABLO COc1cccc2c1OC(C)(C)[C@H]1CC3(CN(Cc4[nH]cc[nH+]4)C3)CO[C@H]21 ZINC000257212790 533895789 /nfs/dbraw/zinc/89/57/89/533895789.db2.gz CEYOMOFNRBIWBL-MAUKXSAKSA-N 1 2 369.465 3.169 40 0 FGABLO C[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2Cl)cc(C2CC2)[nH+]1 ZINC000329070036 534130065 /nfs/dbraw/zinc/13/00/65/534130065.db2.gz ZDFVPPNONPCRRH-VIFPVBQESA-N 1 2 353.253 3.041 40 0 FGABLO OCCCNc1nc(Nc2c(Cl)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000329026182 534362549 /nfs/dbraw/zinc/36/25/49/534362549.db2.gz PKDOBOLXJHSWEW-UHFFFAOYSA-N 1 2 353.253 3.043 40 0 FGABLO COc1ccc(SCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000020107370 525100658 /nfs/dbraw/zinc/10/06/58/525100658.db2.gz RUTMOUASLQDLJE-UHFFFAOYSA-N 1 2 353.447 3.289 40 0 FGABLO Cc1[nH]ncc1C[N@H+]1CC[C@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000257330392 534855489 /nfs/dbraw/zinc/85/54/89/534855489.db2.gz XODZWUOEMACPQA-ZDUSSCGKSA-N 1 2 369.494 3.019 40 0 FGABLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000257330392 534855491 /nfs/dbraw/zinc/85/54/91/534855491.db2.gz XODZWUOEMACPQA-ZDUSSCGKSA-N 1 2 369.494 3.019 40 0 FGABLO CC(=O)N[C@@H]1C[C@H](c2cccc(C[NH+]3CCOCC3)c2)O[C@@H]2CCCC[C@@H]12 ZINC000257201364 526865419 /nfs/dbraw/zinc/86/54/19/526865419.db2.gz AHIZTCMRJQWDDE-DXBBTUNJSA-N 1 2 372.509 3.044 40 0 FGABLO CC1(c2ncc(Cl)s2)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000257213956 528066690 /nfs/dbraw/zinc/06/66/90/528066690.db2.gz CJVSZWUXILNUIF-UHFFFAOYSA-N 1 2 352.891 3.354 40 0 FGABLO Cc1ccc(NC(=O)c2cccc([C@@H]3CCCN3Cc3[nH]cc[nH+]3)n2)nc1 ZINC000257283075 223050102 /nfs/dbraw/zinc/05/01/02/223050102.db2.gz OWRJZXIBQMKQFU-KRWDZBQOSA-N 1 2 362.437 3.098 40 0 FGABLO Cc1cc(C)nc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257296903 223055097 /nfs/dbraw/zinc/05/50/97/223055097.db2.gz REXMZHQJJRIGCF-HNNXBMFYSA-N 1 2 355.467 3.119 40 0 FGABLO Cc1cc(C)nc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257296903 223055098 /nfs/dbraw/zinc/05/50/98/223055098.db2.gz REXMZHQJJRIGCF-HNNXBMFYSA-N 1 2 355.467 3.119 40 0 FGABLO Cc1cccc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000257308795 223060331 /nfs/dbraw/zinc/06/03/31/223060331.db2.gz TYCVFVHOLFLUHC-INIZCTEOSA-N 1 2 363.469 3.037 40 0 FGABLO Cc1cccc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000257308795 223060333 /nfs/dbraw/zinc/06/03/33/223060333.db2.gz TYCVFVHOLFLUHC-INIZCTEOSA-N 1 2 363.469 3.037 40 0 FGABLO CCn1nc(C2CC2)cc1C(=O)N1CCC[C@@H](c2cc[nH+]c(NC)c2)C1 ZINC000257322118 223065730 /nfs/dbraw/zinc/06/57/30/223065730.db2.gz WERALHHJDXUSFH-MRXNPFEDSA-N 1 2 353.470 3.237 40 0 FGABLO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3nccn3C)C2)s1 ZINC000257334087 223069765 /nfs/dbraw/zinc/06/97/65/223069765.db2.gz YELPBLNFQVZVEM-AWEZNQCLSA-N 1 2 369.498 3.098 40 0 FGABLO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3nccn3C)C2)s1 ZINC000257334087 223069767 /nfs/dbraw/zinc/06/97/67/223069767.db2.gz YELPBLNFQVZVEM-AWEZNQCLSA-N 1 2 369.498 3.098 40 0 FGABLO Cc1nc(Nc2nccnc2C2CC[NH+](Cc3cnc[nH]3)CC2)sc1C ZINC000257338684 223070417 /nfs/dbraw/zinc/07/04/17/223070417.db2.gz YYMUOGAUJIWOCJ-UHFFFAOYSA-N 1 2 369.498 3.396 40 0 FGABLO Cc1nc(C)c(CC(=O)N2Cc3[nH+]ccn3C[C@H]2c2ccccc2)s1 ZINC000257343150 223073259 /nfs/dbraw/zinc/07/32/59/223073259.db2.gz ZRRZJKAYWIYMJY-INIZCTEOSA-N 1 2 352.463 3.283 40 0 FGABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccc(F)cc3)n2)cc1 ZINC000015674686 220158769 /nfs/dbraw/zinc/15/87/69/220158769.db2.gz RFUXIVXEYDEMOZ-AEFFLSMTSA-N 1 2 369.396 3.192 40 0 biogenic,in-vitro FGABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccc(F)cc3)n2)cc1 ZINC000015674686 220158772 /nfs/dbraw/zinc/15/87/72/220158772.db2.gz RFUXIVXEYDEMOZ-AEFFLSMTSA-N 1 2 369.396 3.192 40 0 biogenic,in-vitro FGABLO Cc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2cnc(C(C)C)nc2)o1 ZINC000019216455 220241014 /nfs/dbraw/zinc/24/10/14/220241014.db2.gz DPNJAOJHDBTRTG-UHFFFAOYSA-N 1 2 372.513 3.226 40 0 FGABLO Cc1ccc(C[N@H+](CCCN2CCOCC2)Cc2cnc(C(C)C)nc2)o1 ZINC000019216455 220241016 /nfs/dbraw/zinc/24/10/16/220241016.db2.gz DPNJAOJHDBTRTG-UHFFFAOYSA-N 1 2 372.513 3.226 40 0 FGABLO CCc1[nH+]c2cc(NC(=O)c3c4c(nn3C)CCCC4)ccc2n1CC ZINC000019523217 220265164 /nfs/dbraw/zinc/26/51/64/220265164.db2.gz DQKNMCRSEJGOQS-UHFFFAOYSA-N 1 2 351.454 3.483 40 0 FGABLO Cc1c2ccccc2[nH]c1C[N@@H+]1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 ZINC000019565934 220273860 /nfs/dbraw/zinc/27/38/60/220273860.db2.gz SPPRFCRYPUITQH-UHFFFAOYSA-N 1 2 371.444 3.180 40 0 FGABLO Cc1c2ccccc2[nH]c1C[N@H+]1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 ZINC000019565934 220273864 /nfs/dbraw/zinc/27/38/64/220273864.db2.gz SPPRFCRYPUITQH-UHFFFAOYSA-N 1 2 371.444 3.180 40 0 FGABLO CN(C[C@H]1OCCc2ccccc21)C(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000019586070 220278537 /nfs/dbraw/zinc/27/85/37/220278537.db2.gz RODBZWFGHONJAQ-OAQYLSRUSA-N 1 2 361.445 3.317 40 0 FGABLO CC[C@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000057669549 136129746 /nfs/dbraw/zinc/12/97/46/136129746.db2.gz JQEWCMQTPNSFRI-LJQANCHMSA-N 1 2 370.501 3.070 40 0 FGABLO FC1(F)CC[N@H+](Cc2nccs2)C[C@]12CCN(c1ccccn1)C2 ZINC000096051147 222001858 /nfs/dbraw/zinc/00/18/58/222001858.db2.gz JBBQTEBSQDTGNZ-INIZCTEOSA-N 1 2 350.438 3.276 40 0 FGABLO FC1(F)CC[N@@H+](Cc2nccs2)C[C@]12CCN(c1ccccn1)C2 ZINC000096051147 222001864 /nfs/dbraw/zinc/00/18/64/222001864.db2.gz JBBQTEBSQDTGNZ-INIZCTEOSA-N 1 2 350.438 3.276 40 0 FGABLO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3nccs3)CC2)Oc2ccccc21 ZINC000096053252 222002703 /nfs/dbraw/zinc/00/27/03/222002703.db2.gz DCGKVQRGZSGXHZ-HNNXBMFYSA-N 1 2 371.506 3.180 40 0 FGABLO c1cn2c(n1)C[N@H+](Cc1ccsc1)C[C@@H](COCc1cccnc1)C2 ZINC000096059142 222007663 /nfs/dbraw/zinc/00/76/63/222007663.db2.gz BRBVTCWIPNVLQU-GOSISDBHSA-N 1 2 354.479 3.188 40 0 FGABLO c1cn2c(n1)C[N@@H+](Cc1ccsc1)C[C@@H](COCc1cccnc1)C2 ZINC000096059142 222007666 /nfs/dbraw/zinc/00/76/66/222007666.db2.gz BRBVTCWIPNVLQU-GOSISDBHSA-N 1 2 354.479 3.188 40 0 FGABLO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000096244895 222099126 /nfs/dbraw/zinc/09/91/26/222099126.db2.gz FPRCCZOJQJKXHB-WFASDCNBSA-N 1 2 367.396 3.118 40 0 FGABLO O=C(c1cscn1)N1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000096244895 222099130 /nfs/dbraw/zinc/09/91/30/222099130.db2.gz FPRCCZOJQJKXHB-WFASDCNBSA-N 1 2 367.396 3.118 40 0 FGABLO O=C(Cc1ccc(F)cc1)N1CCC2(C[C@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221365 222085325 /nfs/dbraw/zinc/08/53/25/222085325.db2.gz JQZPRAWGAVQWAM-SFHVURJKSA-N 1 2 369.440 3.025 40 0 FGABLO O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216157 494144193 /nfs/dbraw/zinc/14/41/93/494144193.db2.gz AKOVUJJFKDFJIJ-LJQANCHMSA-N 1 2 367.449 3.392 40 0 FGABLO COc1ccc(NC(=O)C2CCN(c3[nH+]c4ccccc4n3C)CC2)cc1 ZINC000012116299 494206254 /nfs/dbraw/zinc/20/62/54/494206254.db2.gz JSUXCSIIUMQYSC-UHFFFAOYSA-N 1 2 364.449 3.437 40 0 FGABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](Cc4ccccc4F)C3)[nH]n2c1=O ZINC000012276405 494219257 /nfs/dbraw/zinc/21/92/57/494219257.db2.gz WQVOJKLIXNSBRW-OAHLLOKOSA-N 1 2 354.429 3.434 40 0 FGABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4ccccc4F)C3)[nH]n2c1=O ZINC000012276405 494219261 /nfs/dbraw/zinc/21/92/61/494219261.db2.gz WQVOJKLIXNSBRW-OAHLLOKOSA-N 1 2 354.429 3.434 40 0 FGABLO COc1ccc(CCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000044901982 494387391 /nfs/dbraw/zinc/38/73/91/494387391.db2.gz NIZXETZZBIWYEG-UHFFFAOYSA-N 1 2 365.433 3.139 40 0 FGABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1F ZINC000138269281 495458053 /nfs/dbraw/zinc/45/80/53/495458053.db2.gz AIKFRRZIJRKZRJ-VMPITWQZSA-N 1 2 354.425 3.306 40 0 FGABLO COc1ncccc1C[NH+]1CC2(C1)C[C@H](OCc1cccc(C)n1)CS2 ZINC000247871035 496923218 /nfs/dbraw/zinc/92/32/18/496923218.db2.gz LFVHTPOSOZWZJB-SFHVURJKSA-N 1 2 371.506 3.070 40 0 FGABLO c1ccc(COCC[C@@H]2CCOC3(C[NH+](Cc4ccccn4)C3)C2)nc1 ZINC000247917645 496927291 /nfs/dbraw/zinc/92/72/91/496927291.db2.gz ZPXDTQQACYZNCV-GOSISDBHSA-N 1 2 353.466 3.065 40 0 FGABLO Cc1cc(NC(=S)NCCCn2cc[nH+]c2)ccc1Br ZINC000225520720 497066121 /nfs/dbraw/zinc/06/61/21/497066121.db2.gz RNTBEWSLQZORTJ-UHFFFAOYSA-N 1 2 353.289 3.331 40 0 FGABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](OCc1cncc(C)c1)CCO2 ZINC000253602636 497346027 /nfs/dbraw/zinc/34/60/27/497346027.db2.gz DIFXCEVZYDPCBE-KRWDZBQOSA-N 1 2 359.495 3.105 40 0 FGABLO Cc1ccc(C(=O)N2CC[C@@]3(Cc4[nH+]cc(-c5cccnc5)n4C3)C2)s1 ZINC000306123142 498736217 /nfs/dbraw/zinc/73/62/17/498736217.db2.gz AFNSUOGCYJYMPS-HXUWFJFHSA-N 1 2 364.474 3.404 40 0 FGABLO O=C(NCC[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)c1ccccc1 ZINC000585112639 507576735 /nfs/dbraw/zinc/57/67/35/507576735.db2.gz UQVUWZHGFBVMNQ-QGZVFWFLSA-N 1 2 366.490 3.322 40 0 FGABLO O=C(NCC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)c1ccccc1 ZINC000585112639 507576741 /nfs/dbraw/zinc/57/67/41/507576741.db2.gz UQVUWZHGFBVMNQ-QGZVFWFLSA-N 1 2 366.490 3.322 40 0 FGABLO C[C@@H](CO)Nc1nc(Nc2ccccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329021700 534128244 /nfs/dbraw/zinc/12/82/44/534128244.db2.gz OHJRHQDORULGLY-ZDUSSCGKSA-N 1 2 354.841 3.177 40 0 FGABLO COc1cc(C[NH+]2CCN(Cc3ccccc3OC)CC2)cc(OC)c1 ZINC000019866652 522382436 /nfs/dbraw/zinc/38/24/36/522382436.db2.gz BLKBGSOEBSHNNT-UHFFFAOYSA-N 1 2 356.466 3.030 40 0 FGABLO Cc1ccc(CCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000020461104 524319600 /nfs/dbraw/zinc/31/96/00/524319600.db2.gz UJLAHEUOOVRGPA-UHFFFAOYSA-N 1 2 352.478 3.190 40 0 FGABLO CCN(C)C(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306135121 527791803 /nfs/dbraw/zinc/79/18/03/527791803.db2.gz OIMWITTTZZZXTP-GOSISDBHSA-N 1 2 363.465 3.158 40 0 FGABLO CCN(C)C(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306135121 527791807 /nfs/dbraw/zinc/79/18/07/527791807.db2.gz OIMWITTTZZZXTP-GOSISDBHSA-N 1 2 363.465 3.158 40 0 FGABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2)cc(-c2ccncc2)[nH+]1 ZINC000329044277 528483438 /nfs/dbraw/zinc/48/34/38/528483438.db2.gz SWDKSAKFSHDHKB-LJQANCHMSA-N 1 2 363.465 3.001 40 0 FGABLO CC(C)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000329026080 529112074 /nfs/dbraw/zinc/11/20/74/529112074.db2.gz PJRCKOZANMTZRX-UHFFFAOYSA-N 1 2 355.392 3.093 40 0 FGABLO