smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[N@H+]1CCC[C@@H](COc2ccc(F)cc2)C1)Nc1nccs1 ZINC000019657775 202015752 /nfs/dbraw/zinc/01/57/52/202015752.db2.gz GRRKPEJYTMIYGX-CYBMUJFWSA-N 1 2 349.431 3.012 40 0 EGABLO O=C(C[N@@H+]1CCC[C@@H](COc2ccc(F)cc2)C1)Nc1nccs1 ZINC000019657775 202015755 /nfs/dbraw/zinc/01/57/55/202015755.db2.gz GRRKPEJYTMIYGX-CYBMUJFWSA-N 1 2 349.431 3.012 40 0 EGABLO Cc1cc(NS(=O)(=O)c2ccc(Br)s2)cc[nH+]1 ZINC000074932216 202373151 /nfs/dbraw/zinc/37/31/51/202373151.db2.gz ZFFGPEIXFWBTGO-UHFFFAOYSA-N 1 2 333.232 3.015 40 0 EGABLO C[C@H](c1ccccn1)N(C)C(=O)NCc1[nH+]ccn1Cc1ccccc1 ZINC000075456496 202381429 /nfs/dbraw/zinc/38/14/29/202381429.db2.gz HCUINFBUFOLFLH-MRXNPFEDSA-N 1 2 349.438 3.229 40 0 EGABLO COc1cccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000021870213 212257745 /nfs/dbraw/zinc/25/77/45/212257745.db2.gz LWCHRZBERRXHKM-RMKNXTFCSA-N 1 2 336.435 3.166 40 0 EGABLO CC[NH+](CC)Cc1nnc2sc(COc3ccc(C)c(C)c3)nn12 ZINC000071260561 203088809 /nfs/dbraw/zinc/08/88/09/203088809.db2.gz BKXWIJORSPMQJK-UHFFFAOYSA-N 1 2 345.472 3.223 40 0 EGABLO CNc1cc([C@H]2CCCN2C(=O)c2cn3c(cccc3C)n2)cc[nH+]1 ZINC000257208462 244143763 /nfs/dbraw/zinc/14/37/63/244143763.db2.gz BMFWDNGVJRKFBS-MRXNPFEDSA-N 1 2 335.411 3.057 40 0 EGABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc(N4CCCC4)cc3)C2)[nH+]1 ZINC000257213651 244159978 /nfs/dbraw/zinc/15/99/78/244159978.db2.gz CINKULXGBWPNIP-QGZVFWFLSA-N 1 2 338.455 3.338 40 0 EGABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2c2cc(C)ncn2)n1 ZINC000072355693 203205371 /nfs/dbraw/zinc/20/53/71/203205371.db2.gz NRWAZFPKLLRALA-INIZCTEOSA-N 1 2 334.427 3.270 40 0 EGABLO c1csc(Nc2nccc([C@H]3CCC[N@H+]3Cc3ccncc3)n2)n1 ZINC000072377626 203208448 /nfs/dbraw/zinc/20/84/48/203208448.db2.gz YYAAPESGEUZCSI-OAHLLOKOSA-N 1 2 338.440 3.409 40 0 EGABLO c1csc(Nc2nccc([C@H]3CCC[N@@H+]3Cc3ccncc3)n2)n1 ZINC000072377626 203208450 /nfs/dbraw/zinc/20/84/50/203208450.db2.gz YYAAPESGEUZCSI-OAHLLOKOSA-N 1 2 338.440 3.409 40 0 EGABLO c1csc(Nc2cccc([C@@H]3CCCN3Cc3[nH]cc[nH+]3)n2)n1 ZINC000072375527 203208531 /nfs/dbraw/zinc/20/85/31/203208531.db2.gz QDRAIXVYZPFMMJ-ZDUSSCGKSA-N 1 2 326.429 3.342 40 0 EGABLO c1c[nH]c(C[N@@H+]2CCC[C@H]2c2cccc(Nc3nccs3)n2)n1 ZINC000072375527 203208534 /nfs/dbraw/zinc/20/85/34/203208534.db2.gz QDRAIXVYZPFMMJ-ZDUSSCGKSA-N 1 2 326.429 3.342 40 0 EGABLO c1c[nH]c(C[N@H+]2CCC[C@H]2c2cccc(Nc3nccs3)n2)n1 ZINC000072375527 203208538 /nfs/dbraw/zinc/20/85/38/203208538.db2.gz QDRAIXVYZPFMMJ-ZDUSSCGKSA-N 1 2 326.429 3.342 40 0 EGABLO c1ccc(CC[N@@H+]2CCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377565 203208736 /nfs/dbraw/zinc/20/87/36/203208736.db2.gz AZFFQPOJIKCAHX-GOSISDBHSA-N 1 2 346.438 3.390 40 0 EGABLO c1ccc(CC[N@H+]2CCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377565 203208740 /nfs/dbraw/zinc/20/87/40/203208740.db2.gz AZFFQPOJIKCAHX-GOSISDBHSA-N 1 2 346.438 3.390 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)cc[nH+]1 ZINC000257255859 244280576 /nfs/dbraw/zinc/28/05/76/244280576.db2.gz KJESLTPFYJBDDP-QGZVFWFLSA-N 1 2 339.439 3.298 40 0 EGABLO Cc1c[nH+]c2n1C[C@@H](c1ccccc1)N(C(=O)CC1CCOCC1)C2 ZINC000257270113 244373920 /nfs/dbraw/zinc/37/39/20/244373920.db2.gz MSVKQCWPBVRVCH-SFHVURJKSA-N 1 2 339.439 3.092 40 0 EGABLO Cc1nccc(C[N@@H+]2CCN(C)[C@H](c3ccc(OC(C)C)cc3)C2)n1 ZINC000257262557 244350502 /nfs/dbraw/zinc/35/05/02/244350502.db2.gz LLXGMWHMAODHMB-FQEVSTJZSA-N 1 2 340.471 3.061 40 0 EGABLO Cc1nccc(C[N@H+]2CCN(C)[C@H](c3ccc(OC(C)C)cc3)C2)n1 ZINC000257262557 244350509 /nfs/dbraw/zinc/35/05/09/244350509.db2.gz LLXGMWHMAODHMB-FQEVSTJZSA-N 1 2 340.471 3.061 40 0 EGABLO CN(Cc1ccccc1NCc1[nH]cc[nH+]1)C(=O)c1cccs1 ZINC000095429255 218372069 /nfs/dbraw/zinc/37/20/69/218372069.db2.gz KJCKMJNNZXCNSC-UHFFFAOYSA-N 1 2 326.425 3.356 40 0 EGABLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1c(C)noc1C ZINC000013095718 207288645 /nfs/dbraw/zinc/28/86/45/207288645.db2.gz PXPYRQNTNMMRON-UHFFFAOYSA-N 1 2 337.807 3.024 40 0 EGABLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1c(C)noc1C ZINC000013095718 207288650 /nfs/dbraw/zinc/28/86/50/207288650.db2.gz PXPYRQNTNMMRON-UHFFFAOYSA-N 1 2 337.807 3.024 40 0 EGABLO Cc1cc(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2)cc[nH+]1 ZINC000119571939 221350218 /nfs/dbraw/zinc/35/02/18/221350218.db2.gz NBFOSLRBVCZMBO-OAHLLOKOSA-N 1 2 328.391 3.320 40 0 EGABLO c1cn(-c2ccc(NCc3ccccc3N3CCOCC3)cc2)c[nH+]1 ZINC000155933739 307823685 /nfs/dbraw/zinc/82/36/85/307823685.db2.gz IXGBVQSFANLMSO-UHFFFAOYSA-N 1 2 334.423 3.321 40 0 EGABLO O=C(Nc1ccn2cc[nH+]c2c1)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000333450184 308859887 /nfs/dbraw/zinc/85/98/87/308859887.db2.gz YJECKNLQBWCMSN-KRWDZBQOSA-N 1 2 340.427 3.147 40 0 EGABLO Brc1ccc([C@H]2C[N@H+](Cc3ccncc3)CCO2)cc1 ZINC000097600536 454440347 /nfs/dbraw/zinc/44/03/47/454440347.db2.gz DNQRJJUWHKQGTK-MRXNPFEDSA-N 1 2 333.229 3.418 40 0 EGABLO Brc1ccc([C@H]2C[N@@H+](Cc3ccncc3)CCO2)cc1 ZINC000097600536 454440351 /nfs/dbraw/zinc/44/03/51/454440351.db2.gz DNQRJJUWHKQGTK-MRXNPFEDSA-N 1 2 333.229 3.418 40 0 EGABLO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1cccc(OC)c1 ZINC000000808000 452638037 /nfs/dbraw/zinc/63/80/37/452638037.db2.gz LXBHUSQAYZBWAQ-OAHLLOKOSA-N 1 2 340.423 3.437 40 0 EGABLO CCC(CC)C(=O)N1CCN(c2[nH+]ccn2-c2ccccc2F)CC1 ZINC000011695679 453331914 /nfs/dbraw/zinc/33/19/14/453331914.db2.gz LJMOKCADCRLNLN-UHFFFAOYSA-N 1 2 344.434 3.096 40 0 EGABLO COc1ccc(C2CC[NH+](CC(=O)Nc3nc(C)cs3)CC2)cc1 ZINC000012113929 453345213 /nfs/dbraw/zinc/34/52/13/453345213.db2.gz UNVSCOGDSSYCLB-UHFFFAOYSA-N 1 2 345.468 3.278 40 0 EGABLO Clc1ccc2c(c1)N[C@H](c1cccc3nccnc31)N1CC[NH+]=C21 ZINC000012188538 453348918 /nfs/dbraw/zinc/34/89/18/453348918.db2.gz FUCOAUVAYYCAFA-SFHVURJKSA-N 1 2 335.798 3.470 40 0 EGABLO CCc1ccccc1NC(=S)N1CC[NH+](Cc2ccco2)CC1 ZINC000013769448 453487893 /nfs/dbraw/zinc/48/78/93/453487893.db2.gz LTEMBIPSZIMWNP-UHFFFAOYSA-N 1 2 329.469 3.357 40 0 EGABLO Cc1occc1SCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000131531907 454262978 /nfs/dbraw/zinc/26/29/78/454262978.db2.gz OFXAYWYWSUHXFU-UHFFFAOYSA-N 1 2 346.452 3.151 40 0 EGABLO COC[C@H]1CN(C(=O)c2ccc(C)s2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045109 454268295 /nfs/dbraw/zinc/26/82/95/454268295.db2.gz PRUAPDAFCHNYIA-CQSZACIVSA-N 1 2 345.468 3.049 40 0 EGABLO Cc1ccc([C@@H](CNC(=O)c2n[nH]c3ccccc32)[NH+]2CCCC2)cc1 ZINC000060239025 454274364 /nfs/dbraw/zinc/27/43/64/454274364.db2.gz ROPSOPCTCKXNJO-LJQANCHMSA-N 1 2 348.450 3.438 40 0 EGABLO c1cc(C[N@H+]2CCc3c(COCc4ccncc4)cncc3C2)co1 ZINC000096189430 454299709 /nfs/dbraw/zinc/29/97/09/454299709.db2.gz ONCSLIGXZFOAIH-UHFFFAOYSA-N 1 2 335.407 3.345 40 0 EGABLO c1cc(C[N@@H+]2CCc3c(COCc4ccncc4)cncc3C2)co1 ZINC000096189430 454299712 /nfs/dbraw/zinc/29/97/12/454299712.db2.gz ONCSLIGXZFOAIH-UHFFFAOYSA-N 1 2 335.407 3.345 40 0 EGABLO O=C(c1ccsc1)N1CC[C@@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216680 454306549 /nfs/dbraw/zinc/30/65/49/454306549.db2.gz VJPVYXKKFJMXBP-SFHVURJKSA-N 1 2 327.453 3.276 40 0 EGABLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000096408082 454326615 /nfs/dbraw/zinc/32/66/15/454326615.db2.gz XIVHZPFGGNWGCK-HXUWFJFHSA-N 1 2 336.435 3.187 40 0 EGABLO Cn1cc[nH+]c1-c1ccc(NC(=O)CSCc2ccncc2)cc1 ZINC000096410262 454328118 /nfs/dbraw/zinc/32/81/18/454328118.db2.gz CUVAJWPUHLUWEQ-UHFFFAOYSA-N 1 2 338.436 3.354 40 0 EGABLO COc1cccc(Cl)c1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000096425183 454338332 /nfs/dbraw/zinc/33/83/32/454338332.db2.gz STTCLZIWHQBWNG-UHFFFAOYSA-N 1 2 341.798 3.464 40 0 EGABLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccc2c(c1)CCCO2 ZINC000096434471 454345571 /nfs/dbraw/zinc/34/55/71/454345571.db2.gz UFWVHUROYGGQJM-UHFFFAOYSA-N 1 2 328.416 3.186 40 0 EGABLO CC[C@H](Oc1ccccc1C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000096454288 454357377 /nfs/dbraw/zinc/35/73/77/454357377.db2.gz HRTOAGSJPVZHBP-CVEARBPZSA-N 1 2 327.428 3.282 40 0 EGABLO C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000079039511 454358929 /nfs/dbraw/zinc/35/89/29/454358929.db2.gz FKHBKAJMAUZMBS-LPHOPBHVSA-N 1 2 346.471 3.053 40 0 EGABLO O=C(Cc1ccc(NCc2[nH]cc[nH+]2)cc1)N1CCc2ccccc21 ZINC000096482843 454365155 /nfs/dbraw/zinc/36/51/55/454365155.db2.gz IQNRNIPGJSIEHB-UHFFFAOYSA-N 1 2 332.407 3.154 40 0 EGABLO Cc1ccc2c(c1)[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)[C@H](C)C2 ZINC000096500422 454371724 /nfs/dbraw/zinc/37/17/24/454371724.db2.gz ZKTOZMBFZZVBKE-QAPCUYQASA-N 1 2 326.444 3.157 40 0 EGABLO CSc1nnc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)s1 ZINC000074312926 454561182 /nfs/dbraw/zinc/56/11/82/454561182.db2.gz UQVCOHNCCISXBV-AWEZNQCLSA-N 1 2 335.498 3.132 40 0 EGABLO CSc1nnc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)s1 ZINC000074312926 454561190 /nfs/dbraw/zinc/56/11/90/454561190.db2.gz UQVCOHNCCISXBV-AWEZNQCLSA-N 1 2 335.498 3.132 40 0 EGABLO O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)[C@H]1SCCc2sccc21 ZINC000080369048 454571874 /nfs/dbraw/zinc/57/18/74/454571874.db2.gz XQZYPOVJKVZMFC-IPYPFGDCSA-N 1 2 333.482 3.185 40 0 EGABLO Cc1noc(C)c1C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000134707761 454580420 /nfs/dbraw/zinc/58/04/20/454580420.db2.gz RBAPTCCBUVSBDX-QZTJIDSGSA-N 1 2 349.862 3.106 40 0 EGABLO Cc1noc(C)c1CN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000134707761 454580424 /nfs/dbraw/zinc/58/04/24/454580424.db2.gz RBAPTCCBUVSBDX-QZTJIDSGSA-N 1 2 349.862 3.106 40 0 EGABLO Cc1noc(C)c1CN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000134707761 454580431 /nfs/dbraw/zinc/58/04/31/454580431.db2.gz RBAPTCCBUVSBDX-QZTJIDSGSA-N 1 2 349.862 3.106 40 0 EGABLO CCOC[C@H]1CN(C(=O)c2cc3ccccc3s2)Cc2c[nH+]cn21 ZINC000253386028 455837541 /nfs/dbraw/zinc/83/75/41/455837541.db2.gz VHZZLUUIDRKEGM-OAHLLOKOSA-N 1 2 341.436 3.331 40 0 EGABLO Cc1cc(Cc2ccccc2)cc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)n1 ZINC000257285683 455882361 /nfs/dbraw/zinc/88/23/61/455882361.db2.gz PIGPAFUAQNPWQE-HXUWFJFHSA-N 1 2 348.450 3.277 40 0 EGABLO Cc1cn(C)c([C@H]2CCCN(C(=O)Cc3ccc4c(c3)CCC4)C2)[nH+]1 ZINC000257312163 455888774 /nfs/dbraw/zinc/88/87/74/455888774.db2.gz UMTDLBVMCQZUPJ-IBGZPJMESA-N 1 2 337.467 3.166 40 0 EGABLO CCOC1CC[NH+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000195558238 455984726 /nfs/dbraw/zinc/98/47/26/455984726.db2.gz RPHBWVAVGCYETP-UHFFFAOYSA-N 1 2 338.814 3.061 40 0 EGABLO COC(=O)c1c2c(sc1NC(=O)c1cccc(C)c1)C[N@@H+](C)CC2 ZINC000408576572 457582211 /nfs/dbraw/zinc/58/22/11/457582211.db2.gz XBPTZWDCAJSRAO-UHFFFAOYSA-N 1 2 344.436 3.083 40 0 EGABLO COC(=O)c1c2c(sc1NC(=O)c1cccc(C)c1)C[N@H+](C)CC2 ZINC000408576572 457582218 /nfs/dbraw/zinc/58/22/18/457582218.db2.gz XBPTZWDCAJSRAO-UHFFFAOYSA-N 1 2 344.436 3.083 40 0 EGABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](CCOCC3CC3)C2)no1 ZINC000585095246 459822408 /nfs/dbraw/zinc/82/24/08/459822408.db2.gz JEKLHEVCCWSZCG-KRWDZBQOSA-N 1 2 329.444 3.233 40 0 EGABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](CCOCC3CC3)C2)no1 ZINC000585095246 459822412 /nfs/dbraw/zinc/82/24/12/459822412.db2.gz JEKLHEVCCWSZCG-KRWDZBQOSA-N 1 2 329.444 3.233 40 0 EGABLO O=C(CC1CC1)N1Cc2cccn2C[C@@H](CCNc2cccc[nH+]2)C1 ZINC000585095266 459822435 /nfs/dbraw/zinc/82/24/35/459822435.db2.gz LFDMINQEDOODRJ-QGZVFWFLSA-N 1 2 338.455 3.144 40 0 EGABLO Cc1cccc(CO[C@H]2CCOC3(C[NH+](Cc4ccccc4)C3)C2)n1 ZINC000585105430 459825230 /nfs/dbraw/zinc/82/52/30/459825230.db2.gz WKUFDXAAHARERJ-FQEVSTJZSA-N 1 2 338.451 3.340 40 0 EGABLO O=C([C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CCCC1 ZINC000022277695 546524238 /nfs/dbraw/zinc/52/42/38/546524238.db2.gz YFHYXJWGUSZPSC-GOSISDBHSA-N 1 2 326.465 3.470 40 0 EGABLO O=C([C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CCCC1 ZINC000022277695 546524244 /nfs/dbraw/zinc/52/42/44/546524244.db2.gz YFHYXJWGUSZPSC-GOSISDBHSA-N 1 2 326.465 3.470 40 0 EGABLO Cc1[nH+]c([C@@H]2CCCN(C(=O)c3cccnc3)C2)c2sccn12 ZINC000019240769 202000309 /nfs/dbraw/zinc/00/03/09/202000309.db2.gz AADIYGKFCLWQQC-CQSZACIVSA-N 1 2 326.425 3.119 40 0 EGABLO O=C(Nc1ccc(Cl)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000019933140 202026579 /nfs/dbraw/zinc/02/65/79/202026579.db2.gz VUFXGOYEWYJWQF-UHFFFAOYSA-N 1 2 330.815 3.425 40 0 EGABLO Cc1ccc(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000030856505 202199554 /nfs/dbraw/zinc/19/95/54/202199554.db2.gz PGIFGDANKCXALP-VMPITWQZSA-N 1 2 334.463 3.395 40 0 EGABLO O=C(CCCOc1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000030857196 202199567 /nfs/dbraw/zinc/19/95/67/202199567.db2.gz UPYLZNQVDKMDNF-UHFFFAOYSA-N 1 2 335.407 3.348 40 0 EGABLO C[C@H]1CCCC[C@@H]1OCC(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000079040075 202419058 /nfs/dbraw/zinc/41/90/58/202419058.db2.gz ORSHXUHKJATBEK-WMZOPIPTSA-N 1 2 345.487 3.104 40 0 EGABLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)[C@@H]1CCC(=O)c2ccccc21 ZINC000225811678 242049337 /nfs/dbraw/zinc/04/93/37/242049337.db2.gz SMHNPGZTMXDWDT-GOSISDBHSA-N 1 2 345.402 3.453 40 0 EGABLO Cc1cc([C@@H]2C[N@H+](Cc3ccc4ccccc4n3)CCO2)nc(C)n1 ZINC000257213066 244157098 /nfs/dbraw/zinc/15/70/98/244157098.db2.gz CGBIVQPKDZSOAU-FQEVSTJZSA-N 1 2 334.423 3.215 40 0 EGABLO Cc1cc([C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCO2)nc(C)n1 ZINC000257213066 244157106 /nfs/dbraw/zinc/15/71/06/244157106.db2.gz CGBIVQPKDZSOAU-FQEVSTJZSA-N 1 2 334.423 3.215 40 0 EGABLO c1csc(C[N@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n1 ZINC000257245507 244255875 /nfs/dbraw/zinc/25/58/75/244255875.db2.gz IPVJQELXUONVKG-WMZOPIPTSA-N 1 2 330.453 3.093 40 0 EGABLO c1csc(C[N@@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n1 ZINC000257245507 244255878 /nfs/dbraw/zinc/25/58/78/244255878.db2.gz IPVJQELXUONVKG-WMZOPIPTSA-N 1 2 330.453 3.093 40 0 EGABLO Cc1cc(N2CCC[C@@H](c3nccnc3Nc3ccccn3)C2)nc[nH+]1 ZINC000072363633 203206248 /nfs/dbraw/zinc/20/62/48/203206248.db2.gz MXMQISCPKBWQNP-OAHLLOKOSA-N 1 2 347.426 3.098 40 0 EGABLO CCc1[nH+]ccn1-c1cccc(C2CCN(C(=O)C3CCC3)CC2)n1 ZINC000072378494 203208605 /nfs/dbraw/zinc/20/86/05/203208605.db2.gz GARUJNXTMAAXGS-UHFFFAOYSA-N 1 2 338.455 3.336 40 0 EGABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)C2CCCC2)cc[nH+]1 ZINC000072391742 203213807 /nfs/dbraw/zinc/21/38/07/203213807.db2.gz IJHMXKIDCSQYJR-MRXNPFEDSA-N 1 2 339.443 3.298 40 0 EGABLO CCn1nc(C2CC2)cc1C(=O)N1CCC[C@@H]1c1cc[nH+]c(NC)c1 ZINC000257260436 244348099 /nfs/dbraw/zinc/34/80/99/244348099.db2.gz LCVIPWQOLDQIFV-MRXNPFEDSA-N 1 2 339.443 3.194 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)Cc3sc(C)nc3C)C2)cc[nH+]1 ZINC000257307157 244481425 /nfs/dbraw/zinc/48/14/25/244481425.db2.gz SXLCNDDRRRKFGZ-OAHLLOKOSA-N 1 2 344.484 3.145 40 0 EGABLO CCOc1cc(C)ccc1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000129153161 205182240 /nfs/dbraw/zinc/18/22/40/205182240.db2.gz NBTNSNPXGDJEBN-UHFFFAOYSA-N 1 2 342.443 3.137 40 0 EGABLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCCC[C@@H]1c1nccs1 ZINC000332674806 154194620 /nfs/dbraw/zinc/19/46/20/154194620.db2.gz BGCXCAGTKKPOEQ-ZIAGYGMSSA-N 1 2 345.472 3.154 40 0 EGABLO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCCCN3c3cc[nH+]c(C)n3)n2)n1 ZINC000257207097 301024365 /nfs/dbraw/zinc/02/43/65/301024365.db2.gz BGHYNNFPYSNUAG-MRXNPFEDSA-N 1 2 349.442 3.314 40 0 EGABLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1c(Cl)cccc1N1CCCC1 ZINC000097230921 303036860 /nfs/dbraw/zinc/03/68/60/303036860.db2.gz KCWJFQAHJSKFOS-KRWDZBQOSA-N 1 2 345.878 3.406 40 0 EGABLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1N1CCCC1 ZINC000097230921 303036863 /nfs/dbraw/zinc/03/68/63/303036863.db2.gz KCWJFQAHJSKFOS-KRWDZBQOSA-N 1 2 345.878 3.406 40 0 EGABLO Cc1nnc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)s1 ZINC000097236451 323215135 /nfs/dbraw/zinc/21/51/35/323215135.db2.gz MMBOHTPLDBFHQH-SNVBAGLBSA-N 1 2 331.420 3.331 40 0 EGABLO Cc1[nH+]c2ccccc2n1CCNC(=O)Cc1c(F)cccc1Cl ZINC000008134560 453166717 /nfs/dbraw/zinc/16/67/17/453166717.db2.gz RUEIUOIPDVUTDP-UHFFFAOYSA-N 1 2 345.805 3.496 40 0 EGABLO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000015674087 453582444 /nfs/dbraw/zinc/58/24/44/453582444.db2.gz BFBFBEIHDCOICG-SJORKVTESA-N 1 2 339.370 3.184 40 0 biogenic,in-vitro EGABLO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000015674087 453582446 /nfs/dbraw/zinc/58/24/46/453582446.db2.gz BFBFBEIHDCOICG-SJORKVTESA-N 1 2 339.370 3.184 40 0 biogenic,in-vitro EGABLO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)NC1CCCC1 ZINC000016588871 453613230 /nfs/dbraw/zinc/61/32/30/453613230.db2.gz ZCLKODVXUMSHHA-OAHLLOKOSA-N 1 2 329.469 3.492 40 0 EGABLO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)NC1CCCC1 ZINC000016588871 453613233 /nfs/dbraw/zinc/61/32/33/453613233.db2.gz ZCLKODVXUMSHHA-OAHLLOKOSA-N 1 2 329.469 3.492 40 0 EGABLO O=C(c1ccc(F)c(F)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000028210813 453822684 /nfs/dbraw/zinc/82/26/84/453822684.db2.gz OIKPYCRYEVXLHZ-QPJJXVBHSA-N 1 2 342.389 3.436 40 0 EGABLO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1cc(F)ccc1F ZINC000081931114 453917820 /nfs/dbraw/zinc/91/78/20/453917820.db2.gz DSVUDIPHWKJHQZ-UHFFFAOYSA-N 1 2 341.361 3.334 40 0 EGABLO O=C(Nc1cnn(-c2ccccc2)c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000088390400 454102237 /nfs/dbraw/zinc/10/22/37/454102237.db2.gz YMYROSRNWQTSQA-MRXNPFEDSA-N 1 2 336.399 3.355 40 0 EGABLO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+](Cc1ccccn1)C2 ZINC000096199100 454303155 /nfs/dbraw/zinc/30/31/55/454303155.db2.gz CRWCQYULUMTRDS-UHFFFAOYSA-N 1 2 345.450 3.202 40 0 EGABLO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@H+](Cc1ccccn1)C2 ZINC000096199100 454303160 /nfs/dbraw/zinc/30/31/60/454303160.db2.gz CRWCQYULUMTRDS-UHFFFAOYSA-N 1 2 345.450 3.202 40 0 EGABLO CC(C)NC(=O)N1CCC2(CCn3c(-c4ccccc4)c[nH+]c32)CC1 ZINC000096243535 454311347 /nfs/dbraw/zinc/31/13/47/454311347.db2.gz JOKYKSZNIRIXNK-UHFFFAOYSA-N 1 2 338.455 3.405 40 0 EGABLO O=C(NCCn1cc[nH+]c1)Nc1cc(F)ccc1SCC(F)F ZINC000096416030 454332574 /nfs/dbraw/zinc/33/25/74/454332574.db2.gz ISFVVSPQHRHBQS-UHFFFAOYSA-N 1 2 344.362 3.201 40 0 EGABLO C[C@H](c1cccnc1)[NH+]1CCN(C[C@H]2OCCc3ccccc32)CC1 ZINC000096424299 454337411 /nfs/dbraw/zinc/33/74/11/454337411.db2.gz NZSOVVZNEIOMTQ-DYESRHJHSA-N 1 2 337.467 3.074 40 0 EGABLO O=C(c1ccc(Cl)cc1)N1CCC2(CC1)NC(=O)[C@@H]1CCCC[N@H+]12 ZINC000096429883 454341073 /nfs/dbraw/zinc/34/10/73/454341073.db2.gz JZUBTBBNLWVGEO-HNNXBMFYSA-N 1 2 347.846 3.097 40 0 EGABLO O=C(c1ccc(Cl)cc1)N1CCC2(CC1)NC(=O)[C@@H]1CCCC[N@@H+]12 ZINC000096429883 454341079 /nfs/dbraw/zinc/34/10/79/454341079.db2.gz JZUBTBBNLWVGEO-HNNXBMFYSA-N 1 2 347.846 3.097 40 0 EGABLO O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)[C@H]1SCCc2ccccc21 ZINC000096431139 454342418 /nfs/dbraw/zinc/34/24/18/454342418.db2.gz ZDUIWJIVOOBYSN-IKGGRYGDSA-N 1 2 327.453 3.124 40 0 EGABLO CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000096440100 454349253 /nfs/dbraw/zinc/34/92/53/454349253.db2.gz QFJSFQANYOPGMQ-IAGOWNOFSA-N 1 2 326.444 3.142 40 0 EGABLO Cc1ncc(/C=C/C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)s1 ZINC000078998906 454352284 /nfs/dbraw/zinc/35/22/84/454352284.db2.gz RKPYJLJKRYAMNF-SOFGYWHQSA-N 1 2 342.468 3.166 40 0 EGABLO CN(C)c1cc(CNC(=O)N(C)Cc2cc3ccccc3o2)cc[nH+]1 ZINC000096446081 454353066 /nfs/dbraw/zinc/35/30/66/454353066.db2.gz ZVWDLHYFPWNOAI-UHFFFAOYSA-N 1 2 338.411 3.235 40 0 EGABLO C[C@H](C(=O)Nc1cnc(C2CC2)nc1)n1cc[nH+]c1-c1ccccc1 ZINC000096487474 454367599 /nfs/dbraw/zinc/36/75/99/454367599.db2.gz OHGOSMTXGODUFP-CYBMUJFWSA-N 1 2 333.395 3.417 40 0 EGABLO CCc1ncnc(N[C@@H](c2[nH+]ccn2C)c2ccccc2OC)c1F ZINC000096488979 454368720 /nfs/dbraw/zinc/36/87/20/454368720.db2.gz PWGUTQLRAXXTER-MRXNPFEDSA-N 1 2 341.390 3.122 40 0 EGABLO COC(=O)c1sccc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000153387889 454788723 /nfs/dbraw/zinc/78/87/23/454788723.db2.gz OFHPWYURYZDHHQ-NSHDSACASA-N 1 2 334.401 3.017 40 0 EGABLO CN(C)C(=O)C[C@@H]1C[N@H+](Cc2cccc3ccccc32)Cc2ccnn21 ZINC000247956962 455660868 /nfs/dbraw/zinc/66/08/68/455660868.db2.gz DEURSJWGBMCATB-LJQANCHMSA-N 1 2 348.450 3.072 40 0 EGABLO CN(C)C(=O)C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2ccnn21 ZINC000247956962 455660870 /nfs/dbraw/zinc/66/08/70/455660870.db2.gz DEURSJWGBMCATB-LJQANCHMSA-N 1 2 348.450 3.072 40 0 EGABLO CNc1cc([C@H]2CCCN2C(=O)CCCn2nc(C)cc2C)cc[nH+]1 ZINC000257292051 455883810 /nfs/dbraw/zinc/88/38/10/455883810.db2.gz QJTBYIBQIKBITP-QGZVFWFLSA-N 1 2 341.459 3.081 40 0 EGABLO COc1cccc(CC(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)c1 ZINC000257295870 455884928 /nfs/dbraw/zinc/88/49/28/455884928.db2.gz RAFLJMHMFZLGTQ-SFHVURJKSA-N 1 2 339.439 3.062 40 0 EGABLO CC(C)n1ccnc1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257325056 455892389 /nfs/dbraw/zinc/89/23/89/455892389.db2.gz WRGBRUVMWZMMHN-HKUYNNGSSA-N 1 2 347.434 3.007 40 0 EGABLO CC(C)n1ccnc1C[N@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257325056 455892392 /nfs/dbraw/zinc/89/23/92/455892392.db2.gz WRGBRUVMWZMMHN-HKUYNNGSSA-N 1 2 347.434 3.007 40 0 EGABLO CN(C)c1cc([C@@H]2CCCN2C(=O)Cc2cccc(F)c2)cc[nH+]1 ZINC000257327342 455893346 /nfs/dbraw/zinc/89/33/46/455893346.db2.gz XAZPAJCQSBIJGF-KRWDZBQOSA-N 1 2 327.403 3.193 40 0 EGABLO Cc1ccc([C@@H]2C[N@H+](Cc3cnn(C4CCCC4)c3)CCO2)nc1 ZINC000257335258 455893958 /nfs/dbraw/zinc/89/39/58/455893958.db2.gz YJJGXDWBHAWFFR-IBGZPJMESA-N 1 2 326.444 3.275 40 0 EGABLO Cc1ccc([C@@H]2C[N@@H+](Cc3cnn(C4CCCC4)c3)CCO2)nc1 ZINC000257335258 455893964 /nfs/dbraw/zinc/89/39/64/455893964.db2.gz YJJGXDWBHAWFFR-IBGZPJMESA-N 1 2 326.444 3.275 40 0 EGABLO CN(C(=O)c1nccc2ccccc21)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257340235 455896078 /nfs/dbraw/zinc/89/60/78/455896078.db2.gz ZFDSBJXZQFLMFV-QGZVFWFLSA-N 1 2 346.434 3.371 40 0 EGABLO Cc1ccccc1C(=O)Nc1c[nH+]c(N2CCCCC2)nc1N(C)C ZINC000224354577 456066566 /nfs/dbraw/zinc/06/65/66/456066566.db2.gz JQIOEYRKGLKAMJ-UHFFFAOYSA-N 1 2 339.443 3.094 40 0 EGABLO C[C@@H]1C[C@H](NC(=O)Nc2nc(C3CCOCC3)cs2)c2[nH+]ccn21 ZINC000333183540 456173572 /nfs/dbraw/zinc/17/35/72/456173572.db2.gz MJOHREIWRGDLRI-PWSUYJOCSA-N 1 2 347.444 3.061 40 0 EGABLO O=C([O-])C[C@@H]1CC[N@@H+](C2CCC2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514290328 458797394 /nfs/dbraw/zinc/79/73/94/458797394.db2.gz XKDDXJQPFQLQFL-KBPBESRZSA-N 1 2 327.428 3.071 40 0 biogenic,in-vitro EGABLO O=C([O-])C[C@@H]1CC[N@H+](C2CCC2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514290328 458797401 /nfs/dbraw/zinc/79/74/01/458797401.db2.gz XKDDXJQPFQLQFL-KBPBESRZSA-N 1 2 327.428 3.071 40 0 biogenic,in-vitro EGABLO Cc1ccc2[nH]c(C[C@H]3C[N@@H+](C4CCC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288425 458797988 /nfs/dbraw/zinc/79/79/88/458797988.db2.gz DWVQIFBXCIKFBV-GJZGRUSLSA-N 1 2 341.455 3.379 40 0 biogenic,in-vitro EGABLO Cc1ccc2[nH]c(C[C@H]3C[N@H+](C4CCC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288425 458797993 /nfs/dbraw/zinc/79/79/93/458797993.db2.gz DWVQIFBXCIKFBV-GJZGRUSLSA-N 1 2 341.455 3.379 40 0 biogenic,in-vitro EGABLO COCCc1c[nH+]c2n1CCN(Cc1ccc3ccccc3n1)[C@H]2C ZINC000585096784 459822806 /nfs/dbraw/zinc/82/28/06/459822806.db2.gz AKSUMFSZOYATLF-HNNXBMFYSA-N 1 2 336.439 3.197 40 0 EGABLO Cc1cc2c(cc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)OCO2 ZINC000585141862 459829601 /nfs/dbraw/zinc/82/96/01/459829601.db2.gz ZVTZKIYHYFITFJ-CYBMUJFWSA-N 1 2 341.289 3.052 40 0 EGABLO COc1cc(C[N@@H+]2CCCCC[C@H]2c2ccn(C)n2)cc(OC)c1O ZINC000019291052 202003446 /nfs/dbraw/zinc/00/34/46/202003446.db2.gz NSOKKDOPAJCMLQ-INIZCTEOSA-N 1 2 345.443 3.260 40 0 EGABLO COc1cc(C[N@H+]2CCCCC[C@H]2c2ccn(C)n2)cc(OC)c1O ZINC000019291052 202003450 /nfs/dbraw/zinc/00/34/50/202003450.db2.gz NSOKKDOPAJCMLQ-INIZCTEOSA-N 1 2 345.443 3.260 40 0 EGABLO CCCn1nc(C)c(-c2c[nH+]cn2CCc2c(C)nn(C)c2C)c1C ZINC000019654612 202014750 /nfs/dbraw/zinc/01/47/50/202014750.db2.gz FKJIOSDJRKRUHB-UHFFFAOYSA-N 1 2 340.475 3.366 40 0 EGABLO CCOC[C@@H](O)COc1ccc([NH2+]OCCCSC(C)C)cc1 ZINC000021993032 202076128 /nfs/dbraw/zinc/07/61/28/202076128.db2.gz JZHFMVGZSREJEX-MRXNPFEDSA-N 1 2 343.489 3.338 40 0 EGABLO Cc1ccc(OCCC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000023774046 202108515 /nfs/dbraw/zinc/10/85/15/202108515.db2.gz DXCNFTVJMPKINJ-FQEVSTJZSA-N 1 2 349.434 3.403 40 0 EGABLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1F ZINC000024753970 202120445 /nfs/dbraw/zinc/12/04/45/202120445.db2.gz BCAGBTOZVJYDQL-UHFFFAOYSA-N 1 2 327.334 3.140 40 0 EGABLO CC[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1cc(F)ccc1F ZINC000077550489 202392689 /nfs/dbraw/zinc/39/26/89/202392689.db2.gz PFSYXXMYFCOZBT-INIZCTEOSA-N 1 2 336.386 3.392 40 0 EGABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cc4cc(F)ccc4n3C)C2)[nH+]1 ZINC000257208540 244142769 /nfs/dbraw/zinc/14/27/69/244142769.db2.gz BMOOYXJKODOYLA-ZDUSSCGKSA-N 1 2 340.402 3.369 40 0 EGABLO CCCn1cc(Cl)c(C(=O)N2CCC[C@@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257227328 244204154 /nfs/dbraw/zinc/20/41/54/244204154.db2.gz FOTVBYVOSUOJTI-CYBMUJFWSA-N 1 2 349.866 3.008 40 0 EGABLO Cc1cc(C(F)(F)F)nc([C@@]2(C)CCCN2Cc2c[nH+]cn2C)n1 ZINC000257231992 244217278 /nfs/dbraw/zinc/21/72/78/244217278.db2.gz GIXVSCQJTCIPPE-OAHLLOKOSA-N 1 2 339.365 3.049 40 0 EGABLO O=C(CCOCc1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000096134065 257834660 /nfs/dbraw/zinc/83/46/60/257834660.db2.gz IOWFSXBRMAMWIM-UHFFFAOYSA-N 1 2 335.407 3.095 40 0 EGABLO CC(=O)Nc1ccc([C@@H]2Nc3cc(Cl)ccc3C3=[NH+]CCN32)cc1 ZINC000012188519 277083076 /nfs/dbraw/zinc/08/30/76/277083076.db2.gz WQUZGBLWJVXQEI-QGZVFWFLSA-N 1 2 340.814 3.485 40 0 EGABLO COc1ccc([C@H]2Cn3c(C)c[nH+]c3CN2Cc2cc(C)on2)cc1 ZINC000257249365 277430363 /nfs/dbraw/zinc/43/03/63/277430363.db2.gz JHXZHTGDXRRQOC-GOSISDBHSA-N 1 2 338.411 3.254 40 0 EGABLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000040434254 453950286 /nfs/dbraw/zinc/95/02/86/453950286.db2.gz YXZZBHAUQUREIP-UHFFFAOYSA-N 1 2 331.869 3.286 40 0 EGABLO O=C(Cn1cc[nH+]c1)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000010809929 453301053 /nfs/dbraw/zinc/30/10/53/453301053.db2.gz LQILICVTQBLMSC-UHFFFAOYSA-N 1 2 335.411 3.365 40 0 EGABLO COc1ccc(C[NH+]2CCN(C(=O)c3cc(C)sc3C)CC2)cc1 ZINC000024649285 453741467 /nfs/dbraw/zinc/74/14/67/453741467.db2.gz UAVQYQWWQDJZJH-UHFFFAOYSA-N 1 2 344.480 3.332 40 0 EGABLO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccccc2)Cc2cccc(F)c2)C1 ZINC000053066083 453855679 /nfs/dbraw/zinc/85/56/79/453855679.db2.gz CEXIERLHFITMCD-GOSISDBHSA-N 1 2 333.428 3.015 40 0 EGABLO O=S1(=O)CC[C@@H]([N@H+](Cc2ccccc2)Cc2cccc(F)c2)C1 ZINC000053066083 453855680 /nfs/dbraw/zinc/85/56/80/453855680.db2.gz CEXIERLHFITMCD-GOSISDBHSA-N 1 2 333.428 3.015 40 0 EGABLO Cc1nc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)oc1C ZINC000081583343 453891687 /nfs/dbraw/zinc/89/16/87/453891687.db2.gz FDNFDYUEQFAWJO-KRWDZBQOSA-N 1 2 345.418 3.101 40 0 EGABLO Cc1nc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)oc1C ZINC000081583343 453891691 /nfs/dbraw/zinc/89/16/91/453891691.db2.gz FDNFDYUEQFAWJO-KRWDZBQOSA-N 1 2 345.418 3.101 40 0 EGABLO C[C@@H](c1ccccn1)[NH+]1CCN(C(=O)N(C)c2ccc(F)cc2)CC1 ZINC000190865110 455393630 /nfs/dbraw/zinc/39/36/30/455393630.db2.gz WXKZIASKVPEPQW-HNNXBMFYSA-N 1 2 342.418 3.156 40 0 EGABLO COCc1cccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000044890773 454124540 /nfs/dbraw/zinc/12/45/40/454124540.db2.gz QTKKOSSFSLRVQK-SFHVURJKSA-N 1 2 335.407 3.086 40 0 EGABLO Cc1cccc(C)c1NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057581610 454136524 /nfs/dbraw/zinc/13/65/24/454136524.db2.gz VAGXDLIXRDWXFS-UHFFFAOYSA-N 1 2 341.430 3.203 40 0 EGABLO Cc1[nH+]ccn1Cc1cccc(CNC(=O)c2c(O)cccc2F)c1 ZINC000119365324 454189623 /nfs/dbraw/zinc/18/96/23/454189623.db2.gz GXPTXVCMJAJHQN-UHFFFAOYSA-N 1 2 339.370 3.015 40 0 EGABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(F)c3)[nH]2)cc1OC ZINC000095534317 454230144 /nfs/dbraw/zinc/23/01/44/454230144.db2.gz VWDMMLNCZIQWTE-MRXNPFEDSA-N 1 2 342.374 3.066 40 0 EGABLO CCOc1ccc([C@@H]([NH3+])c2n[nH]c(-c3cccc(F)c3)n2)cc1OC ZINC000095534317 454230150 /nfs/dbraw/zinc/23/01/50/454230150.db2.gz VWDMMLNCZIQWTE-MRXNPFEDSA-N 1 2 342.374 3.066 40 0 EGABLO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccc(F)cc3)n[nH]2)cc1OC ZINC000095534208 454230523 /nfs/dbraw/zinc/23/05/23/454230523.db2.gz JKCNNUDTQWEGSC-INIZCTEOSA-N 1 2 342.374 3.066 40 0 EGABLO CCn1ncc2c1[C@@H](COCC1CC1)[N@H+](Cc1c(C)noc1C)CC2 ZINC000096044518 454267763 /nfs/dbraw/zinc/26/77/63/454267763.db2.gz ACTITDOTJRRNKD-GOSISDBHSA-N 1 2 344.459 3.034 40 0 EGABLO CCn1ncc2c1[C@@H](COCC1CC1)[N@@H+](Cc1c(C)noc1C)CC2 ZINC000096044518 454267766 /nfs/dbraw/zinc/26/77/66/454267766.db2.gz ACTITDOTJRRNKD-GOSISDBHSA-N 1 2 344.459 3.034 40 0 EGABLO c1csc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2nccs2)C3)n1 ZINC000096215714 454306176 /nfs/dbraw/zinc/30/61/76/454306176.db2.gz YZZSJCQBSSQJAB-INIZCTEOSA-N 1 2 334.514 3.088 40 0 EGABLO c1csc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2nccs2)C3)n1 ZINC000096215714 454306180 /nfs/dbraw/zinc/30/61/80/454306180.db2.gz YZZSJCQBSSQJAB-INIZCTEOSA-N 1 2 334.514 3.088 40 0 EGABLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(Br)s1 ZINC000132398407 454335852 /nfs/dbraw/zinc/33/58/52/454335852.db2.gz GUBAYCBUJIKHPW-UHFFFAOYSA-N 1 2 347.259 3.121 40 0 EGABLO C[C@H](NC(=O)Cc1n[nH]c2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432134 454343744 /nfs/dbraw/zinc/34/37/44/454343744.db2.gz AHORZSOTWFARSU-AWEZNQCLSA-N 1 2 345.406 3.169 40 0 EGABLO Cc1nc(CNC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)sc1C ZINC000096434642 454346703 /nfs/dbraw/zinc/34/67/03/454346703.db2.gz PVEZMPRDCRLNJV-UHFFFAOYSA-N 1 2 341.440 3.482 40 0 EGABLO C[C@H](NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1nccs1 ZINC000096439951 454349465 /nfs/dbraw/zinc/34/94/65/454349465.db2.gz SXZHTJRVEVPRGS-STQMWFEESA-N 1 2 341.440 3.450 40 0 EGABLO COC(=O)N1CCC[C@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000078992738 454351261 /nfs/dbraw/zinc/35/12/61/454351261.db2.gz OELZQNQVTXIAMY-INIZCTEOSA-N 1 2 341.367 3.043 40 0 EGABLO C[C@H](NC(=O)C1CCC1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000078994891 454351849 /nfs/dbraw/zinc/35/18/49/454351849.db2.gz GOZCMTOWZVZNLW-ZDUSSCGKSA-N 1 2 339.395 3.117 40 0 EGABLO O=C(NCc1[nH+]ccn1CCc1ccccc1)[C@H]1C[C@@H]1c1ccco1 ZINC000096459356 454358342 /nfs/dbraw/zinc/35/83/42/454358342.db2.gz JHFIILUQWSRPPO-IRXDYDNUSA-N 1 2 335.407 3.139 40 0 EGABLO CC[C@@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccs1 ZINC000096468865 454361048 /nfs/dbraw/zinc/36/10/48/454361048.db2.gz FVWJFVRDCPYTCF-LSDHHAIUSA-N 1 2 331.441 3.457 40 0 EGABLO COC(=O)[C@H](c1cccc(Cl)c1Cl)[N@H+](C)C[C@@H]1CCOC1 ZINC000096500902 454372047 /nfs/dbraw/zinc/37/20/47/454372047.db2.gz XOSQDPYYUPBOLQ-HZMBPMFUSA-N 1 2 332.227 3.176 40 0 EGABLO COC(=O)[C@H](c1cccc(Cl)c1Cl)[N@@H+](C)C[C@@H]1CCOC1 ZINC000096500902 454372051 /nfs/dbraw/zinc/37/20/51/454372051.db2.gz XOSQDPYYUPBOLQ-HZMBPMFUSA-N 1 2 332.227 3.176 40 0 EGABLO OC1CCN(c2[nH+]cccc2NC/C=C/c2ccc(F)cc2)CC1 ZINC000091064489 454375023 /nfs/dbraw/zinc/37/50/23/454375023.db2.gz CXHCMJKJAXHZDP-HNQUOIGGSA-N 1 2 327.403 3.307 40 0 EGABLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCCc2cccs2)CC1 ZINC000079353067 454400660 /nfs/dbraw/zinc/40/06/60/454400660.db2.gz JXDJGRYOVGMVDI-INIZCTEOSA-N 1 2 343.496 3.371 40 0 EGABLO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@H]1SCCc2sccc21 ZINC000079461711 454419417 /nfs/dbraw/zinc/41/94/17/454419417.db2.gz IGGCOXUGIYBCRZ-HNNXBMFYSA-N 1 2 342.449 3.298 40 0 EGABLO O=C(N[C@@H]1CCC[C@H]1n1cc[nH+]c1)[C@H]1SCCc2ccccc21 ZINC000247758783 455643853 /nfs/dbraw/zinc/64/38/53/455643853.db2.gz ZDUIWJIVOOBYSN-ZACQAIPSSA-N 1 2 327.453 3.124 40 0 EGABLO Cc1cnccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000249100653 455744079 /nfs/dbraw/zinc/74/40/79/455744079.db2.gz WFOYUJHLQCQGGZ-IRXDYDNUSA-N 1 2 346.381 3.235 40 0 EGABLO Cc1cnccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000249100653 455744082 /nfs/dbraw/zinc/74/40/82/455744082.db2.gz WFOYUJHLQCQGGZ-IRXDYDNUSA-N 1 2 346.381 3.235 40 0 EGABLO Cc1cnccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000249100656 455744212 /nfs/dbraw/zinc/74/42/12/455744212.db2.gz WFOYUJHLQCQGGZ-SJORKVTESA-N 1 2 346.381 3.235 40 0 EGABLO Cc1cnccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000249100656 455744217 /nfs/dbraw/zinc/74/42/17/455744217.db2.gz WFOYUJHLQCQGGZ-SJORKVTESA-N 1 2 346.381 3.235 40 0 EGABLO CNc1cc([C@H]2CCCN2C(=O)c2cc(F)ccc2OC)cc[nH+]1 ZINC000257299926 455886413 /nfs/dbraw/zinc/88/64/13/455886413.db2.gz RSESILSRKFRLHZ-OAHLLOKOSA-N 1 2 329.375 3.248 40 0 EGABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3nccc4ccccc43)C2)[nH+]1 ZINC000257323035 455892266 /nfs/dbraw/zinc/89/22/66/455892266.db2.gz WIMUPZFIZDOMPC-MRXNPFEDSA-N 1 2 334.423 3.297 40 0 EGABLO Cc1cc(NC(=O)Nc2cnn(C)c2)c[nH+]c1N1CCCC[C@@H]1C ZINC000272641968 456023135 /nfs/dbraw/zinc/02/31/35/456023135.db2.gz DPNZOVPSCJSZEX-ZDUSSCGKSA-N 1 2 328.420 3.146 40 0 EGABLO CCc1cnc(CNC(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)o1 ZINC000585141391 459829795 /nfs/dbraw/zinc/82/97/95/459829795.db2.gz UBJQNZZQTWNXQR-UHFFFAOYSA-N 1 2 339.399 3.173 40 0 EGABLO COc1ccccc1[C@@H](NC(=O)N(C(C)C)C(C)C)c1[nH+]ccn1C ZINC000012220165 201832957 /nfs/dbraw/zinc/83/29/57/201832957.db2.gz NGYXBBLUSWDBHY-QGZVFWFLSA-N 1 2 344.459 3.347 40 0 EGABLO C[C@H](CC(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1)n1cc[nH+]c1 ZINC000019455205 202008715 /nfs/dbraw/zinc/00/87/15/202008715.db2.gz XMYHCMINJYPGJC-GDBMZVCRSA-N 1 2 337.427 3.117 40 0 EGABLO Cc1cccc(C2(Cn3c[nH+]cc3-c3cnn(C)c3)CCOCC2)c1 ZINC000019719515 202017305 /nfs/dbraw/zinc/01/73/05/202017305.db2.gz XMWMOBVPYAXEAF-UHFFFAOYSA-N 1 2 336.439 3.340 40 0 EGABLO COc1ccc(/C=C/C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000022508991 202086525 /nfs/dbraw/zinc/08/65/25/202086525.db2.gz YFWWQHKIDQZHFF-DHZHZOJOSA-N 1 2 333.391 3.211 40 0 EGABLO CC(=O)Nc1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000030943584 202201239 /nfs/dbraw/zinc/20/12/39/202201239.db2.gz CQEYLKXSULZLLA-UHFFFAOYSA-N 1 2 334.379 3.142 40 0 EGABLO Cc1cnccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189755204 237219943 /nfs/dbraw/zinc/21/99/43/237219943.db2.gz WFOYUJHLQCQGGZ-IAGOWNOFSA-N 1 2 346.381 3.235 40 0 EGABLO Cc1cnccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189755204 237219951 /nfs/dbraw/zinc/21/99/51/237219951.db2.gz WFOYUJHLQCQGGZ-IAGOWNOFSA-N 1 2 346.381 3.235 40 0 EGABLO Cc1noc(C(C)C)c1C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000023787908 212396400 /nfs/dbraw/zinc/39/64/00/212396400.db2.gz ZBRCMHCSYCSTRP-UHFFFAOYSA-N 1 2 341.455 3.373 40 0 EGABLO Cc1cc(N2CCN(c3ccccc3)CC2)nc(-c2cccc(N)c2)[nH+]1 ZINC000226103303 242090316 /nfs/dbraw/zinc/09/03/16/242090316.db2.gz WWWNLCBVOKCTMF-UHFFFAOYSA-N 1 2 345.450 3.361 40 0 EGABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](OCc1ccncc1)CCO2 ZINC000253599058 244032914 /nfs/dbraw/zinc/03/29/14/244032914.db2.gz KKVHCFLNQLRENM-KRWDZBQOSA-N 1 2 344.480 3.402 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)CCc3cc(Cl)no3)C2)cc[nH+]1 ZINC000257232030 244215483 /nfs/dbraw/zinc/21/54/83/244215483.db2.gz GJCQWCWHHWXEFO-ZDUSSCGKSA-N 1 2 348.834 3.104 40 0 EGABLO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000257234355 244223316 /nfs/dbraw/zinc/22/33/16/244223316.db2.gz GTDWKRHDNQNSTG-OAHLLOKOSA-N 1 2 349.442 3.026 40 0 EGABLO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000257234355 244223323 /nfs/dbraw/zinc/22/33/23/244223323.db2.gz GTDWKRHDNQNSTG-OAHLLOKOSA-N 1 2 349.442 3.026 40 0 EGABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(c3cnccn3)C2)n1 ZINC000072355688 203205538 /nfs/dbraw/zinc/20/55/38/203205538.db2.gz SWBQEHYABZCHTD-HNNXBMFYSA-N 1 2 334.427 3.004 40 0 EGABLO Cc1cc(N2CCC(c3nccnc3Nc3ccccn3)CC2)nc[nH+]1 ZINC000072362513 203206838 /nfs/dbraw/zinc/20/68/38/203206838.db2.gz AODZJPJDPHTYLX-UHFFFAOYSA-N 1 2 347.426 3.098 40 0 EGABLO Cc1cc(N2CCC[C@H](c3cnc(Nc4ccccn4)cn3)C2)nc[nH+]1 ZINC000072362511 203206870 /nfs/dbraw/zinc/20/68/70/203206870.db2.gz MUGJZMCEZKCFLP-HNNXBMFYSA-N 1 2 347.426 3.098 40 0 EGABLO CC(=O)NC1CCC([NH2+]c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000133968190 205385511 /nfs/dbraw/zinc/38/55/11/205385511.db2.gz OJEDRJJELAKLKP-QEFXCSQDSA-N 1 2 345.487 3.159 40 0 EGABLO Cc1cccc(NC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)n1 ZINC000125040161 323217821 /nfs/dbraw/zinc/21/78/21/323217821.db2.gz AVCRNEJSGMCLTF-MRXNPFEDSA-N 1 2 339.374 3.174 40 0 EGABLO C[C@H](NC(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)c1ccco1 ZINC000240333418 455263421 /nfs/dbraw/zinc/26/34/21/455263421.db2.gz FDBLIRWHVBMWKX-LSDHHAIUSA-N 1 2 348.468 3.200 40 0 EGABLO C[C@H](NC(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1)c1ccco1 ZINC000240333418 455263427 /nfs/dbraw/zinc/26/34/27/455263427.db2.gz FDBLIRWHVBMWKX-LSDHHAIUSA-N 1 2 348.468 3.200 40 0 EGABLO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000240555574 455264344 /nfs/dbraw/zinc/26/43/44/455264344.db2.gz GWLCXPTXVSVSIQ-MRXNPFEDSA-N 1 2 344.434 3.410 40 0 EGABLO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000240555574 455264350 /nfs/dbraw/zinc/26/43/50/455264350.db2.gz GWLCXPTXVSVSIQ-MRXNPFEDSA-N 1 2 344.434 3.410 40 0 EGABLO C[NH2+]/C=C(/c1ccc(OC)cc1)[C@@H](O)c1ccc(OC)c(OC)c1 ZINC000001631769 452671281 /nfs/dbraw/zinc/67/12/81/452671281.db2.gz UGLPTDGOQCOHRD-UIRWJGRMSA-N 1 2 329.396 3.006 40 0 EGABLO Nc1nc(N)c2cc([S@](=O)c3ccc4ccccc4c3)ccc2[nH+]1 ZINC000005647485 452891014 /nfs/dbraw/zinc/89/10/14/452891014.db2.gz QSWGIUCUSOBPPC-DEOSSOPVSA-N 1 2 334.404 3.114 40 0 EGABLO CCCOc1cc(S(=O)(=O)Nc2cc[nH+]cc2)ccc1Cl ZINC000009061843 453242281 /nfs/dbraw/zinc/24/22/81/453242281.db2.gz NKFCPCUQRWSHJB-UHFFFAOYSA-N 1 2 326.805 3.325 40 0 EGABLO COc1cccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccccc2)c1 ZINC000009979839 453267459 /nfs/dbraw/zinc/26/74/59/453267459.db2.gz HDUCPCTWZXWNOJ-LJQANCHMSA-N 1 2 345.464 3.306 40 0 EGABLO COc1cccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccccc2)c1 ZINC000009979839 453267471 /nfs/dbraw/zinc/26/74/71/453267471.db2.gz HDUCPCTWZXWNOJ-LJQANCHMSA-N 1 2 345.464 3.306 40 0 EGABLO CC(=O)Nc1ccc([C@H]2Nc3cc(Cl)ccc3C3=[NH+]CCN32)cc1 ZINC000012188520 453349885 /nfs/dbraw/zinc/34/98/85/453349885.db2.gz WQUZGBLWJVXQEI-KRWDZBQOSA-N 1 2 340.814 3.485 40 0 EGABLO CCc1ccc(C[N@@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cc1 ZINC000012276673 453353814 /nfs/dbraw/zinc/35/38/14/453353814.db2.gz CWIAHJULCXAIFZ-UHFFFAOYSA-N 1 2 348.450 3.433 40 0 EGABLO CCc1ccc(C[N@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cc1 ZINC000012276673 453353825 /nfs/dbraw/zinc/35/38/25/453353825.db2.gz CWIAHJULCXAIFZ-UHFFFAOYSA-N 1 2 348.450 3.433 40 0 EGABLO O=c1[nH]c2ccccc2cc1C[NH2+]c1ccc(N2CCC[C@H](O)C2)cc1 ZINC000013563047 453469708 /nfs/dbraw/zinc/46/97/08/453469708.db2.gz OHHHFGSRCRHJPY-IBGZPJMESA-N 1 2 349.434 3.101 40 0 EGABLO COc1ccc2c(c1)C[C@@H](c1cccnc1OC)[NH2+][C@H]2c1ccncc1 ZINC000019562637 453657641 /nfs/dbraw/zinc/65/76/41/453657641.db2.gz QYHFDHCQYODRQD-PMACEKPBSA-N 1 2 347.418 3.470 40 0 EGABLO O[C@H](C[NH+]1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1F ZINC000026904649 453807858 /nfs/dbraw/zinc/80/78/58/453807858.db2.gz QLGLCLNRPSJBSA-LJQANCHMSA-N 1 2 348.849 3.330 40 0 EGABLO O[C@H](CN1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccccc1F ZINC000026904649 453807860 /nfs/dbraw/zinc/80/78/60/453807860.db2.gz QLGLCLNRPSJBSA-LJQANCHMSA-N 1 2 348.849 3.330 40 0 EGABLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccccc2)Cc2cccc(F)c2)C1 ZINC000053066085 453856083 /nfs/dbraw/zinc/85/60/83/453856083.db2.gz CEXIERLHFITMCD-SFHVURJKSA-N 1 2 333.428 3.015 40 0 EGABLO O=S1(=O)CC[C@H]([N@H+](Cc2ccccc2)Cc2cccc(F)c2)C1 ZINC000053066085 453856088 /nfs/dbraw/zinc/85/60/88/453856088.db2.gz CEXIERLHFITMCD-SFHVURJKSA-N 1 2 333.428 3.015 40 0 EGABLO Fc1cccc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccco2)CCO3)c1 ZINC000096049067 454271173 /nfs/dbraw/zinc/27/11/73/454271173.db2.gz YVRXSYSTEAEJIB-IBGZPJMESA-N 1 2 330.403 3.290 40 0 EGABLO Fc1cccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccco2)CCO3)c1 ZINC000096049067 454271179 /nfs/dbraw/zinc/27/11/79/454271179.db2.gz YVRXSYSTEAEJIB-IBGZPJMESA-N 1 2 330.403 3.290 40 0 EGABLO Cc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3F)nc2c1 ZINC000096112311 454287485 /nfs/dbraw/zinc/28/74/85/454287485.db2.gz PTDNTSNVFWSKRE-QAPCUYQASA-N 1 2 340.402 3.005 40 0 biogenic,in-vitro EGABLO Cc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3F)nc2c1 ZINC000096112311 454287489 /nfs/dbraw/zinc/28/74/89/454287489.db2.gz PTDNTSNVFWSKRE-QAPCUYQASA-N 1 2 340.402 3.005 40 0 biogenic,in-vitro EGABLO Cn1cnc2c1[C@@H](COCc1ccccc1)[N@H+](Cc1ccccn1)CC2 ZINC000096187731 454300300 /nfs/dbraw/zinc/30/03/00/454300300.db2.gz OZNIBFVOVWQNJJ-HXUWFJFHSA-N 1 2 348.450 3.131 40 0 EGABLO Cn1cnc2c1[C@@H](COCc1ccccc1)[N@@H+](Cc1ccccn1)CC2 ZINC000096187731 454300304 /nfs/dbraw/zinc/30/03/04/454300304.db2.gz OZNIBFVOVWQNJJ-HXUWFJFHSA-N 1 2 348.450 3.131 40 0 EGABLO Cn1c[nH+]c2c1[C@@H](COCc1ccccc1)N(Cc1ccccn1)CC2 ZINC000096187731 454300309 /nfs/dbraw/zinc/30/03/09/454300309.db2.gz OZNIBFVOVWQNJJ-HXUWFJFHSA-N 1 2 348.450 3.131 40 0 EGABLO c1cn2c([nH+]1)CN(Cc1ccsc1)C[C@H](COc1cccnc1)C2 ZINC000096187959 454300323 /nfs/dbraw/zinc/30/03/23/454300323.db2.gz SHCQROUIUHPUQO-INIZCTEOSA-N 1 2 340.452 3.051 40 0 EGABLO c1cn2c(n1)C[N@H+](Cc1ccsc1)C[C@H](COc1cccnc1)C2 ZINC000096187959 454300327 /nfs/dbraw/zinc/30/03/27/454300327.db2.gz SHCQROUIUHPUQO-INIZCTEOSA-N 1 2 340.452 3.051 40 0 EGABLO c1cn2c(n1)C[N@@H+](Cc1ccsc1)C[C@H](COc1cccnc1)C2 ZINC000096187959 454300333 /nfs/dbraw/zinc/30/03/33/454300333.db2.gz SHCQROUIUHPUQO-INIZCTEOSA-N 1 2 340.452 3.051 40 0 EGABLO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@@H+](Cc1scnc1C)C2 ZINC000096198117 454302931 /nfs/dbraw/zinc/30/29/31/454302931.db2.gz OPRYATJSCAWARN-INIZCTEOSA-N 1 2 346.500 3.194 40 0 EGABLO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@H+](Cc1scnc1C)C2 ZINC000096198117 454302935 /nfs/dbraw/zinc/30/29/35/454302935.db2.gz OPRYATJSCAWARN-INIZCTEOSA-N 1 2 346.500 3.194 40 0 EGABLO c1csc(C[N@H+]2CCc3c(CNc4nccs4)n[nH]c3C2)c1 ZINC000096255867 454312590 /nfs/dbraw/zinc/31/25/90/454312590.db2.gz GIMKXTSHXJHIPK-UHFFFAOYSA-N 1 2 331.470 3.098 40 0 EGABLO c1csc(C[N@@H+]2CCc3c(CNc4nccs4)n[nH]c3C2)c1 ZINC000096255867 454312597 /nfs/dbraw/zinc/31/25/97/454312597.db2.gz GIMKXTSHXJHIPK-UHFFFAOYSA-N 1 2 331.470 3.098 40 0 EGABLO O=C(Cc1ccc(Cl)nc1)NCCNc1ccc2ccccc2[nH+]1 ZINC000096426922 454339255 /nfs/dbraw/zinc/33/92/55/454339255.db2.gz CXZFHLWJOYWHHG-UHFFFAOYSA-N 1 2 340.814 3.054 40 0 EGABLO Cc1csc(C(C)(C)[NH2+]Cc2csc(-c3cnn(C)c3)n2)n1 ZINC000096443402 454352068 /nfs/dbraw/zinc/35/20/68/454352068.db2.gz OKSUNKFQGSEFQK-UHFFFAOYSA-N 1 2 333.486 3.333 40 0 EGABLO CCc1nc(C)c([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)s1 ZINC000182871561 455180520 /nfs/dbraw/zinc/18/05/20/455180520.db2.gz XLNOGGODQKCOMC-GFCCVEGCSA-N 1 2 332.473 3.419 40 0 EGABLO COCc1noc(C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)n1 ZINC000182650321 455561039 /nfs/dbraw/zinc/56/10/39/455561039.db2.gz BISBVPCQHABKQJ-MRXNPFEDSA-N 1 2 326.400 3.425 40 0 EGABLO COCc1noc(C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)n1 ZINC000182650321 455561044 /nfs/dbraw/zinc/56/10/44/455561044.db2.gz BISBVPCQHABKQJ-MRXNPFEDSA-N 1 2 326.400 3.425 40 0 EGABLO C[N@@H+]1CCN2c3ncc(Br)cc3Cc3ccccc3[C@H]2C1 ZINC000248114260 455681203 /nfs/dbraw/zinc/68/12/03/455681203.db2.gz IGRONFJIVLWNSI-MRXNPFEDSA-N 1 2 344.256 3.241 40 0 EGABLO C[N@H+]1CCN2c3ncc(Br)cc3Cc3ccccc3[C@H]2C1 ZINC000248114260 455681208 /nfs/dbraw/zinc/68/12/08/455681208.db2.gz IGRONFJIVLWNSI-MRXNPFEDSA-N 1 2 344.256 3.241 40 0 EGABLO C[C@H]1C[C@H](c2cccnc2)N(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000252536500 455820108 /nfs/dbraw/zinc/82/01/08/455820108.db2.gz ISEKRDJEQPBGAK-GOEBONIOSA-N 1 2 341.484 3.012 40 0 EGABLO C[C@H]1C[C@H](c2cccnc2)N(c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000252536500 455820112 /nfs/dbraw/zinc/82/01/12/455820112.db2.gz ISEKRDJEQPBGAK-GOEBONIOSA-N 1 2 341.484 3.012 40 0 EGABLO CCc1nnc(C[N@@H+]2C[C@@H](C)CC[C@H]2c2ccccc2OC)n1C ZINC000253417480 455842292 /nfs/dbraw/zinc/84/22/92/455842292.db2.gz VXGUNEJGFKPHJT-HOCLYGCPSA-N 1 2 328.460 3.359 40 0 EGABLO CCc1nnc(C[N@H+]2C[C@@H](C)CC[C@H]2c2ccccc2OC)n1C ZINC000253417480 455842296 /nfs/dbraw/zinc/84/22/96/455842296.db2.gz VXGUNEJGFKPHJT-HOCLYGCPSA-N 1 2 328.460 3.359 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)c3cc(CC(C)C)no3)C2)cc[nH+]1 ZINC000257297127 455885532 /nfs/dbraw/zinc/88/55/32/455885532.db2.gz RFZNLWCXKZCSNQ-HNNXBMFYSA-N 1 2 342.443 3.330 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)Cc3ccccc3OC)C2)cc[nH+]1 ZINC000257310895 455889338 /nfs/dbraw/zinc/88/93/38/455889338.db2.gz UHBQRUBVGSEOQK-KRWDZBQOSA-N 1 2 339.439 3.081 40 0 EGABLO CC(C)Nc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)C3CC3)C2)cc[nH+]1 ZINC000257335723 455893944 /nfs/dbraw/zinc/89/39/44/455893944.db2.gz YLNVKXLPJBMNQF-OAHLLOKOSA-N 1 2 339.443 3.018 40 0 EGABLO CCCC[C@H](CC)CNC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000223413737 456056665 /nfs/dbraw/zinc/05/66/65/456056665.db2.gz IMKQNKUOPYOMMF-KRWDZBQOSA-N 1 2 332.488 3.465 40 0 EGABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)Nc1ccccc1 ZINC000224146544 456064617 /nfs/dbraw/zinc/06/46/17/456064617.db2.gz JJLYVTDCCOPZEW-UHFFFAOYSA-N 1 2 340.431 3.177 40 0 EGABLO O=C(CCc1c(Cl)cccc1Cl)NCCCn1cc[nH+]c1 ZINC000225357932 456078905 /nfs/dbraw/zinc/07/89/05/456078905.db2.gz VKQPAQSNIUPCDL-UHFFFAOYSA-N 1 2 326.227 3.329 40 0 EGABLO CN(C(=O)Cc1c[nH+]cn1C)c1ccc(OCc2ccccc2)cc1 ZINC000225447998 456083351 /nfs/dbraw/zinc/08/33/51/456083351.db2.gz DMPICCTUBZSOKW-UHFFFAOYSA-N 1 2 335.407 3.205 40 0 EGABLO CC[C@H](C)c1ccc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000332079090 457299361 /nfs/dbraw/zinc/29/93/61/457299361.db2.gz HYVBYBUSIGRNOL-HOCLYGCPSA-N 1 2 347.484 3.112 40 0 EGABLO Cc1cc(CO)cc(N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)[nH+]1 ZINC000663751270 461787764 /nfs/dbraw/zinc/78/77/64/461787764.db2.gz YZVYISQYFGWHLT-MRXNPFEDSA-N 1 2 335.411 3.009 40 0 EGABLO Cc1cc(CO)cc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)[nH+]1 ZINC000663751270 461787772 /nfs/dbraw/zinc/78/77/72/461787772.db2.gz YZVYISQYFGWHLT-MRXNPFEDSA-N 1 2 335.411 3.009 40 0 EGABLO COCc1ccccc1/C=C(\C)C[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC000646048637 462502942 /nfs/dbraw/zinc/50/29/42/462502942.db2.gz IRIKQHGKIJXQAC-TVADFSRQSA-N 1 2 344.499 3.033 40 0 EGABLO CCn1cc2c(n1)C[N@@H+](Cc1cccs1)C[C@@H]2COCC1CC1 ZINC000096060416 517882094 /nfs/dbraw/zinc/88/20/94/517882094.db2.gz USHNZWLSVGWLLU-OAHLLOKOSA-N 1 2 331.485 3.491 40 0 EGABLO CCn1cc2c(n1)C[N@H+](Cc1cccs1)C[C@@H]2COCC1CC1 ZINC000096060416 517882099 /nfs/dbraw/zinc/88/20/99/517882099.db2.gz USHNZWLSVGWLLU-OAHLLOKOSA-N 1 2 331.485 3.491 40 0 EGABLO Cc1cc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)cc[nH+]1 ZINC000179827458 547050766 /nfs/dbraw/zinc/05/07/66/547050766.db2.gz SSENEXYGBWONBU-UHFFFAOYSA-N 1 2 329.375 3.357 40 0 EGABLO CC(C)c1nnc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)s1 ZINC000333842418 547543966 /nfs/dbraw/zinc/54/39/66/547543966.db2.gz NOGARQSDWGFTNW-JOCQHMNTSA-N 1 2 345.472 3.210 40 0 EGABLO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(O)cc1 ZINC000199427212 1296088545 /nfs/dbraw/zinc/08/85/45/1296088545.db2.gz MIGSKVNSBIJJER-IBGZPJMESA-N 1 2 338.451 3.234 40 0 EGABLO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(O)cc1 ZINC000199427212 1296088555 /nfs/dbraw/zinc/08/85/55/1296088555.db2.gz MIGSKVNSBIJJER-IBGZPJMESA-N 1 2 338.451 3.234 40 0 EGABLO C[C@H](CC(=O)N1CCC[C@H](c2cc3cccnc3[nH]2)C1)n1cc[nH+]c1 ZINC000019455209 202008375 /nfs/dbraw/zinc/00/83/75/202008375.db2.gz XMYHCMINJYPGJC-ZBFHGGJFSA-N 1 2 337.427 3.117 40 0 EGABLO COc1cc(CNCC[NH+](C)C)ccc1OCc1ccc(C)cc1 ZINC000022074915 202078992 /nfs/dbraw/zinc/07/89/92/202078992.db2.gz VXCXPIFSEJIOHS-UHFFFAOYSA-N 1 2 328.456 3.234 40 0 EGABLO CCOC[C@H](O)COc1ccc([NH2+]OCCCSC(C)C)cc1 ZINC000021993034 202076053 /nfs/dbraw/zinc/07/60/53/202076053.db2.gz JZHFMVGZSREJEX-INIZCTEOSA-N 1 2 343.489 3.338 40 0 EGABLO O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050744 202112107 /nfs/dbraw/zinc/11/21/07/202112107.db2.gz ZIRDDKCJTBQTPU-UHFFFAOYSA-N 1 2 346.390 3.251 40 0 EGABLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1nnc(C(C)C)s1 ZINC000025323850 202129837 /nfs/dbraw/zinc/12/98/37/202129837.db2.gz NNZBENRWLNQPQX-UHFFFAOYSA-N 1 2 329.429 3.212 40 0 EGABLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(F)cc1OCC1CC1 ZINC000077724060 202392702 /nfs/dbraw/zinc/39/27/02/202392702.db2.gz XZNKYBFQVMRODO-UHFFFAOYSA-N 1 2 332.379 3.023 40 0 EGABLO O=C(COc1ccccc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000038755207 202406682 /nfs/dbraw/zinc/40/66/82/202406682.db2.gz IWOUIIBFUAJQLW-UHFFFAOYSA-N 1 2 341.798 3.221 40 0 EGABLO Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 ZINC000252477768 201183725 /nfs/dbraw/zinc/18/37/25/201183725.db2.gz VFPZFEGQNJRYCO-BZUAXINKSA-N 1 2 340.427 3.022 40 0 EGABLO CSCc1ccccc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000281198369 201325569 /nfs/dbraw/zinc/32/55/69/201325569.db2.gz KXOOJBJSMOWYGS-UHFFFAOYSA-N 1 2 328.428 3.465 40 0 EGABLO CC(C)(C)n1ncnc1C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000330032921 201363564 /nfs/dbraw/zinc/36/35/64/201363564.db2.gz UWPPUSUWIHDWRY-SFHVURJKSA-N 1 2 342.487 3.295 40 0 EGABLO CC(C)(C)n1ncnc1C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000330032921 201363567 /nfs/dbraw/zinc/36/35/67/201363567.db2.gz UWPPUSUWIHDWRY-SFHVURJKSA-N 1 2 342.487 3.295 40 0 EGABLO Cc1ccc([C@H](CNC(=O)C2CCCCC2)[NH+]2CCOCC2)cc1 ZINC000023105879 212348205 /nfs/dbraw/zinc/34/82/05/212348205.db2.gz KVUVQCVMQKUOFG-IBGZPJMESA-N 1 2 330.472 3.065 40 0 EGABLO CN(Cc1ccco1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000242305036 243017939 /nfs/dbraw/zinc/01/79/39/243017939.db2.gz YUFXFQJEJPRTIC-DLBZAZTESA-N 1 2 349.381 3.145 40 0 EGABLO CN(Cc1ccco1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000242305036 243017946 /nfs/dbraw/zinc/01/79/46/243017946.db2.gz YUFXFQJEJPRTIC-DLBZAZTESA-N 1 2 349.381 3.145 40 0 EGABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cc4cc(F)ccc4n3C)C2)[nH+]1 ZINC000257208539 244144656 /nfs/dbraw/zinc/14/46/56/244144656.db2.gz BMOOYXJKODOYLA-CYBMUJFWSA-N 1 2 340.402 3.369 40 0 EGABLO c1csc(Nc2nccc([C@H]3CCC[N@H+]3Cc3cccnc3)n2)n1 ZINC000072377647 203209470 /nfs/dbraw/zinc/20/94/70/203209470.db2.gz YZAOCCGJYSVOPK-OAHLLOKOSA-N 1 2 338.440 3.409 40 0 EGABLO c1csc(Nc2nccc([C@H]3CCC[N@@H+]3Cc3cccnc3)n2)n1 ZINC000072377647 203209473 /nfs/dbraw/zinc/20/94/73/203209473.db2.gz YZAOCCGJYSVOPK-OAHLLOKOSA-N 1 2 338.440 3.409 40 0 EGABLO COc1ccc(C(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)cc1F ZINC000257242748 244249154 /nfs/dbraw/zinc/24/91/54/244249154.db2.gz IDYQTWSVJVZQPQ-INIZCTEOSA-N 1 2 343.402 3.273 40 0 EGABLO Cc1ccc(C2=NO[C@H]3C[N@@H+](Cc4cnc(C(C)C)nc4)C[C@@H]23)cc1 ZINC000072343267 203203302 /nfs/dbraw/zinc/20/33/02/203203302.db2.gz KBKQYYDTNQQARW-MSOLQXFVSA-N 1 2 336.439 3.143 40 0 EGABLO Cc1ccc(C2=NO[C@H]3C[N@H+](Cc4cnc(C(C)C)nc4)C[C@@H]23)cc1 ZINC000072343267 203203304 /nfs/dbraw/zinc/20/33/04/203203304.db2.gz KBKQYYDTNQQARW-MSOLQXFVSA-N 1 2 336.439 3.143 40 0 EGABLO Cc1ccc(C2=NO[C@H]3C[N@@H+](Cc4cnc(C(C)C)nc4)C[C@H]23)cc1 ZINC000072343265 203203553 /nfs/dbraw/zinc/20/35/53/203203553.db2.gz KBKQYYDTNQQARW-ROUUACIJSA-N 1 2 336.439 3.143 40 0 EGABLO Cc1ccc(C2=NO[C@H]3C[N@H+](Cc4cnc(C(C)C)nc4)C[C@H]23)cc1 ZINC000072343265 203203557 /nfs/dbraw/zinc/20/35/57/203203557.db2.gz KBKQYYDTNQQARW-ROUUACIJSA-N 1 2 336.439 3.143 40 0 EGABLO Cc1nc(N2CCC[C@H](c3ccnc(Nc4ncccn4)c3)C2)cc[nH+]1 ZINC000072369089 203208777 /nfs/dbraw/zinc/20/87/77/203208777.db2.gz VJDNMHHHNOQIDN-INIZCTEOSA-N 1 2 347.426 3.098 40 0 EGABLO COc1cccc(C(=O)Cn2cc(-c3ccc(F)cc3)n(C)c2=[NH2+])c1 ZINC000334157189 258005028 /nfs/dbraw/zinc/00/50/28/258005028.db2.gz IDBOSWJZEGFIDK-UHFFFAOYSA-N 1 2 339.370 3.004 40 0 EGABLO COc1ccc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)nn1 ZINC000283284185 286309487 /nfs/dbraw/zinc/30/94/87/286309487.db2.gz XKMVUOLTZQMTSU-CRAIPNDOSA-N 1 2 327.428 3.064 40 0 EGABLO COc1ccc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)nn1 ZINC000283284185 286309488 /nfs/dbraw/zinc/30/94/88/286309488.db2.gz XKMVUOLTZQMTSU-CRAIPNDOSA-N 1 2 327.428 3.064 40 0 EGABLO COc1cc([C@H]2Nc3cc(Cl)ccc3C3=[NH+]CCN32)ccc1O ZINC000012188504 277389030 /nfs/dbraw/zinc/38/90/30/277389030.db2.gz QKXJDMDBUISVJZ-INIZCTEOSA-N 1 2 329.787 3.241 40 0 EGABLO COc1cc2c(c3c1OCO3)C[N@H+](Cc1ccccc1Cl)C[C@H]2O ZINC000095470482 277390786 /nfs/dbraw/zinc/39/07/86/277390786.db2.gz XPPXNJLJUGIODT-OAHLLOKOSA-N 1 2 347.798 3.127 40 0 EGABLO COc1cc2c(c3c1OCO3)C[N@@H+](Cc1ccccc1Cl)C[C@H]2O ZINC000095470482 277390787 /nfs/dbraw/zinc/39/07/87/277390787.db2.gz XPPXNJLJUGIODT-OAHLLOKOSA-N 1 2 347.798 3.127 40 0 EGABLO CCc1cnccc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000130114111 323219358 /nfs/dbraw/zinc/21/93/58/323219358.db2.gz XFPFTDNNDINSIG-CQSZACIVSA-N 1 2 329.469 3.225 40 0 EGABLO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000003584114 452781813 /nfs/dbraw/zinc/78/18/13/452781813.db2.gz FBRACFYLNVFMGV-UHFFFAOYSA-N 1 2 338.329 3.183 40 0 EGABLO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000003584114 452781824 /nfs/dbraw/zinc/78/18/24/452781824.db2.gz FBRACFYLNVFMGV-UHFFFAOYSA-N 1 2 338.329 3.183 40 0 EGABLO O=C(Nc1ccc2c(c1)CCC2)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000012680424 453391532 /nfs/dbraw/zinc/39/15/32/453391532.db2.gz AGUYBFMFXCNZIN-UHFFFAOYSA-N 1 2 336.435 3.260 40 0 EGABLO C[N@@H+]1CCc2nc(NC(=O)CCn3ccc4ccccc43)sc2C1 ZINC000032845377 453893525 /nfs/dbraw/zinc/89/35/25/453893525.db2.gz OREYCOCTWZKWQG-UHFFFAOYSA-N 1 2 340.452 3.115 40 0 EGABLO C[N@H+]1CCc2nc(NC(=O)CCn3ccc4ccccc43)sc2C1 ZINC000032845377 453893529 /nfs/dbraw/zinc/89/35/29/453893529.db2.gz OREYCOCTWZKWQG-UHFFFAOYSA-N 1 2 340.452 3.115 40 0 EGABLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc[nH]c3=S)n2)CC1 ZINC000032889380 453895264 /nfs/dbraw/zinc/89/52/64/453895264.db2.gz YERTXJKHMPLVNW-UHFFFAOYSA-N 1 2 348.497 3.311 40 0 EGABLO CC[NH+](CC)[C@H]1COc2c(C)c(C)c(Br)cc2C1=O ZINC000055125443 453964576 /nfs/dbraw/zinc/96/45/76/453964576.db2.gz LUUWJRSIDQXULQ-ZDUSSCGKSA-N 1 2 326.234 3.351 40 0 EGABLO CC[C@@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057669556 454140120 /nfs/dbraw/zinc/14/01/20/454140120.db2.gz CLQOXGKZKMOMJC-SFHVURJKSA-N 1 2 340.475 3.062 40 0 EGABLO Cc1noc(C)c1C[N@@H+]1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC000096041614 454266445 /nfs/dbraw/zinc/26/64/45/454266445.db2.gz ZSSGBCLAGUSDEQ-IPMKNSEASA-N 1 2 334.460 3.230 40 0 EGABLO Cc1noc(C)c1C[N@H+]1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC000096041614 454266454 /nfs/dbraw/zinc/26/64/54/454266454.db2.gz ZSSGBCLAGUSDEQ-IPMKNSEASA-N 1 2 334.460 3.230 40 0 EGABLO CCOC[C@H]1C[N@H+](Cc2ccsc2)Cc2ncn(CC3CC3)c21 ZINC000096045115 454268399 /nfs/dbraw/zinc/26/83/99/454268399.db2.gz ZWQASEOXQYEUJP-MRXNPFEDSA-N 1 2 331.485 3.491 40 0 EGABLO CCOC[C@H]1C[N@@H+](Cc2ccsc2)Cc2ncn(CC3CC3)c21 ZINC000096045115 454268402 /nfs/dbraw/zinc/26/84/02/454268402.db2.gz ZWQASEOXQYEUJP-MRXNPFEDSA-N 1 2 331.485 3.491 40 0 EGABLO CCOC[C@H]1CN(Cc2ccsc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045115 454268405 /nfs/dbraw/zinc/26/84/05/454268405.db2.gz ZWQASEOXQYEUJP-MRXNPFEDSA-N 1 2 331.485 3.491 40 0 EGABLO CCC(=O)c1c[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000072223651 454274994 /nfs/dbraw/zinc/27/49/94/454274994.db2.gz ZNRZDRPNBYEQKZ-UHFFFAOYSA-N 1 2 333.432 3.040 40 0 EGABLO O=C(c1cccs1)N1CC[C@]2(CC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000096228694 454308782 /nfs/dbraw/zinc/30/87/82/454308782.db2.gz KSFYYYDPFHOXNW-SFHVURJKSA-N 1 2 330.428 3.378 40 0 EGABLO O=C(c1cccs1)N1CC[C@]2(CC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000096228694 454308785 /nfs/dbraw/zinc/30/87/85/454308785.db2.gz KSFYYYDPFHOXNW-SFHVURJKSA-N 1 2 330.428 3.378 40 0 EGABLO O=C(NCCc1c[nH]c2ccccc12)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047268805 454349770 /nfs/dbraw/zinc/34/97/70/454349770.db2.gz SXDGNMLPJUKEFI-UHFFFAOYSA-N 1 2 344.418 3.385 40 0 EGABLO OCC[C@@H]1CCCCN1c1ccc(CNc2ccc(Cl)cn2)c[nH+]1 ZINC000096453592 454356176 /nfs/dbraw/zinc/35/61/76/454356176.db2.gz ICIULFSQALKXSP-INIZCTEOSA-N 1 2 346.862 3.483 40 0 EGABLO COc1ccc([C@@H](CO)[N@H+](C)Cc2nc(-c3ccco3)oc2C)cc1 ZINC000079091236 454366819 /nfs/dbraw/zinc/36/68/19/454366819.db2.gz QSSSYZZQTVNZRD-QGZVFWFLSA-N 1 2 342.395 3.417 40 0 EGABLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2nc(-c3ccco3)oc2C)cc1 ZINC000079091236 454366823 /nfs/dbraw/zinc/36/68/23/454366823.db2.gz QSSSYZZQTVNZRD-QGZVFWFLSA-N 1 2 342.395 3.417 40 0 EGABLO COc1ccc([C@H](CO)[N@H+](C)Cc2nc(-c3ccco3)oc2C)cc1 ZINC000079091231 454367034 /nfs/dbraw/zinc/36/70/34/454367034.db2.gz QSSSYZZQTVNZRD-KRWDZBQOSA-N 1 2 342.395 3.417 40 0 EGABLO COc1ccc([C@H](CO)[N@@H+](C)Cc2nc(-c3ccco3)oc2C)cc1 ZINC000079091231 454367039 /nfs/dbraw/zinc/36/70/39/454367039.db2.gz QSSSYZZQTVNZRD-KRWDZBQOSA-N 1 2 342.395 3.417 40 0 EGABLO COc1ccc2oc([C@@H](C)[NH2+]Cc3nnnn3C(C)C)c(C)c2c1 ZINC000096502747 454372500 /nfs/dbraw/zinc/37/25/00/454372500.db2.gz MUHHGXVVOVXAQF-GFCCVEGCSA-N 1 2 329.404 3.168 40 0 EGABLO C[NH+](C)[C@H](CNC(=O)CC[C@H]1CCCCO1)c1c(F)cccc1F ZINC000079362829 454402024 /nfs/dbraw/zinc/40/20/24/454402024.db2.gz QDKBFZQHSBQSNI-CZUORRHYSA-N 1 2 340.414 3.033 40 0 EGABLO Cc1nn(C)cc1CNc1cccc(-c2ccc3c(c2)OCCO3)[nH+]1 ZINC000097094825 454405519 /nfs/dbraw/zinc/40/55/19/454405519.db2.gz DVWYQPMNUGVCKO-UHFFFAOYSA-N 1 2 336.395 3.174 40 0 EGABLO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1SCCc2sccc21 ZINC000079461713 454419269 /nfs/dbraw/zinc/41/92/69/454419269.db2.gz IGGCOXUGIYBCRZ-OAHLLOKOSA-N 1 2 342.449 3.298 40 0 EGABLO O=C(CSC[C@@H]1CCCCO1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000170762096 454970999 /nfs/dbraw/zinc/97/09/99/454970999.db2.gz CKVLWKLQKKKAGO-AWEZNQCLSA-N 1 2 349.431 3.252 40 0 EGABLO CC(C)(C)c1noc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)n1 ZINC000179931456 455100539 /nfs/dbraw/zinc/10/05/39/455100539.db2.gz NXHCLUVLJPJPSR-UHFFFAOYSA-N 1 2 325.294 3.179 40 0 EGABLO CCC[C@@H]([NH2+][C@H](C)c1cn[nH]c1C)C(=O)N1CCc2sccc2C1 ZINC000180407252 455164589 /nfs/dbraw/zinc/16/45/89/455164589.db2.gz BCMQNJNIUNOMKN-MLGOLLRUSA-N 1 2 346.500 3.184 40 0 EGABLO O=C(Cc1ccc(Cl)cc1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000244998652 455278321 /nfs/dbraw/zinc/27/83/21/455278321.db2.gz KOAURBRLPSRJKB-UHFFFAOYSA-N 1 2 330.815 3.348 40 0 EGABLO CC(C)(C)n1cc(C[NH+]2CCC(OCc3ccccc3)CC2)nn1 ZINC000191198054 455462883 /nfs/dbraw/zinc/46/28/83/455462883.db2.gz DGXIRGQPRXXXTO-UHFFFAOYSA-N 1 2 328.460 3.214 40 0 EGABLO c1cc2n(n1)C[C@@H](CNc1ccccn1)C[N@@H+](Cc1ccsc1)C2 ZINC000247926753 455656093 /nfs/dbraw/zinc/65/60/93/455656093.db2.gz BAMCECNJBXIIJO-INIZCTEOSA-N 1 2 339.468 3.084 40 0 EGABLO c1cc2n(n1)C[C@@H](CNc1ccccn1)C[N@H+](Cc1ccsc1)C2 ZINC000247926753 455656102 /nfs/dbraw/zinc/65/61/02/455656102.db2.gz BAMCECNJBXIIJO-INIZCTEOSA-N 1 2 339.468 3.084 40 0 EGABLO Cc1nc(CO[C@@H]2Cn3cccc3C[N@H+](Cc3ccco3)C2)cs1 ZINC000248058251 455675938 /nfs/dbraw/zinc/67/59/38/455675938.db2.gz VBCTUDGDHVARKT-SFHVURJKSA-N 1 2 343.452 3.447 40 0 EGABLO Cc1nc(CO[C@@H]2Cn3cccc3C[N@@H+](Cc3ccco3)C2)cs1 ZINC000248058251 455675944 /nfs/dbraw/zinc/67/59/44/455675944.db2.gz VBCTUDGDHVARKT-SFHVURJKSA-N 1 2 343.452 3.447 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)Cc3cccc(OC)c3)C2)cc[nH+]1 ZINC000257285998 455882878 /nfs/dbraw/zinc/88/28/78/455882878.db2.gz PJSWLYUMCNZFHG-KRWDZBQOSA-N 1 2 339.439 3.081 40 0 EGABLO CCCn1ccc(C(=O)N2CCC(Cc3cc[nH+]c(C)c3)CC2)n1 ZINC000257294735 455885105 /nfs/dbraw/zinc/88/51/05/455885105.db2.gz QVMGEALGBZXSAO-UHFFFAOYSA-N 1 2 326.444 3.091 40 0 EGABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)CCC1CCCCC1 ZINC000224350657 456065408 /nfs/dbraw/zinc/06/54/08/456065408.db2.gz CZVVAYBTASJEOW-UHFFFAOYSA-N 1 2 345.491 3.442 40 0 EGABLO Fc1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225453509 456083802 /nfs/dbraw/zinc/08/38/02/456083802.db2.gz OHDLYFXLTHNDHN-UHFFFAOYSA-N 1 2 326.400 3.498 40 0 EGABLO Nc1[nH+]cnc(N2CCC(OCc3ccc(F)cc3)CC2)c1Cl ZINC000225484219 456087239 /nfs/dbraw/zinc/08/72/39/456087239.db2.gz WQBWEVCNYIXZAT-UHFFFAOYSA-N 1 2 336.798 3.037 40 0 EGABLO Nc1nc[nH+]c(N2CCC(OCc3ccc(F)cc3)CC2)c1Cl ZINC000225484219 456087242 /nfs/dbraw/zinc/08/72/42/456087242.db2.gz WQBWEVCNYIXZAT-UHFFFAOYSA-N 1 2 336.798 3.037 40 0 EGABLO Cc1ccc(C(=O)N2CC([N@@H+]3CCc4sccc4C3)C2)cc1F ZINC000390826770 457442813 /nfs/dbraw/zinc/44/28/13/457442813.db2.gz BULSXYONMYAWJK-UHFFFAOYSA-N 1 2 330.428 3.078 40 0 EGABLO Cc1ccc(C(=O)N2CC([N@H+]3CCc4sccc4C3)C2)cc1F ZINC000390826770 457442818 /nfs/dbraw/zinc/44/28/18/457442818.db2.gz BULSXYONMYAWJK-UHFFFAOYSA-N 1 2 330.428 3.078 40 0 EGABLO C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095435167 524403265 /nfs/dbraw/zinc/40/32/65/524403265.db2.gz SWICOHGJYICKPT-ZDUSSCGKSA-N 1 2 339.420 3.325 40 0 EGABLO CC(C)C[N@@H+]1CCO[C@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 ZINC000257254487 535127998 /nfs/dbraw/zinc/12/79/98/535127998.db2.gz KDGLPBRHBLYWPA-IBGZPJMESA-N 1 2 347.434 3.200 40 0 EGABLO CC(C)C[N@H+]1CCO[C@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 ZINC000257254487 535128001 /nfs/dbraw/zinc/12/80/01/535128001.db2.gz KDGLPBRHBLYWPA-IBGZPJMESA-N 1 2 347.434 3.200 40 0 EGABLO C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000079040069 546591440 /nfs/dbraw/zinc/59/14/40/546591440.db2.gz ORSHXUHKJATBEK-AEFFLSMTSA-N 1 2 345.487 3.104 40 0 EGABLO Cc1n[nH]cc1C[N@@H+]1CC2(CCOCC2)[C@H]1c1cnn(C(C)(C)C)c1 ZINC000685938902 550456492 /nfs/dbraw/zinc/45/64/92/550456492.db2.gz XOERMCRLUQUKKD-QGZVFWFLSA-N 1 2 343.475 3.023 40 0 EGABLO Cc1n[nH]cc1C[N@H+]1CC2(CCOCC2)[C@H]1c1cnn(C(C)(C)C)c1 ZINC000685938902 550456495 /nfs/dbraw/zinc/45/64/95/550456495.db2.gz XOERMCRLUQUKKD-QGZVFWFLSA-N 1 2 343.475 3.023 40 0 EGABLO CCCn1cc(-c2c[nH+]cn2CCc2ccc3c(c2)OCCO3)cn1 ZINC000019719662 202017203 /nfs/dbraw/zinc/01/72/03/202017203.db2.gz FJYJMSRMGJDRHB-UHFFFAOYSA-N 1 2 338.411 3.171 40 0 EGABLO Fc1ccc(-c2cc(CC3([NH2+]Cc4ccco4)COC3)no2)cc1 ZINC000067897871 202037864 /nfs/dbraw/zinc/03/78/64/202037864.db2.gz YQWBGLCLGLSPMV-UHFFFAOYSA-N 1 2 328.343 3.175 40 0 biogenic,in-vitro EGABLO CCc1[nH+]c2ccccc2n1CC(=O)OCC(=O)c1ccc(C)cc1 ZINC000024419140 202116276 /nfs/dbraw/zinc/11/62/76/202116276.db2.gz JOUDUKGIBRFGAU-UHFFFAOYSA-N 1 2 336.391 3.333 40 0 EGABLO CC[C@H](NC(=O)[C@@H](C)n1cc[nH+]c1)c1nc(C(F)(F)F)cs1 ZINC000073277678 202369805 /nfs/dbraw/zinc/36/98/05/202369805.db2.gz RJJMZPZQEBMCMQ-BDAKNGLRSA-N 1 2 332.351 3.187 40 0 EGABLO CCO[C@@H]1CCCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000077446168 202393153 /nfs/dbraw/zinc/39/31/53/202393153.db2.gz RLXYHENLUGKIMF-MRXNPFEDSA-N 1 2 328.416 3.120 40 0 EGABLO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000192816381 201054304 /nfs/dbraw/zinc/05/43/04/201054304.db2.gz AGROWZKYLHXCQW-CYBMUJFWSA-N 1 2 343.402 3.286 40 0 EGABLO O=C(c1cccc(Br)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000239846265 201152869 /nfs/dbraw/zinc/15/28/69/201152869.db2.gz LARBRDWIZWTNGT-OAHLLOKOSA-N 1 2 347.212 3.138 40 0 EGABLO CCCn1cc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cn1 ZINC000242178781 243012483 /nfs/dbraw/zinc/01/24/83/243012483.db2.gz XAVOGRTTWDHNCW-UHFFFAOYSA-N 1 2 347.422 3.461 40 0 EGABLO CCn1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c(C(C)C)n1 ZINC000091212055 203073372 /nfs/dbraw/zinc/07/33/72/203073372.db2.gz RRVDHIQCYJNYDK-UHFFFAOYSA-N 1 2 337.427 3.142 40 0 EGABLO Cc1cc(CC2CCN(C(=O)c3cnc(C4CC4)nc3)CC2)cc[nH+]1 ZINC000257235926 244230633 /nfs/dbraw/zinc/23/06/33/244230633.db2.gz HACIDTKLKZPYRE-UHFFFAOYSA-N 1 2 336.439 3.152 40 0 EGABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000257236804 244231640 /nfs/dbraw/zinc/23/16/40/244231640.db2.gz HDVWKDPGJWCFKR-AWEZNQCLSA-N 1 2 340.452 3.048 40 0 EGABLO Cc1cc(Nc2ccccn2)nc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072360081 203204933 /nfs/dbraw/zinc/20/49/33/203204933.db2.gz CINRPQDEVSNTGX-OAHLLOKOSA-N 1 2 349.442 3.026 40 0 EGABLO Cc1cc(Nc2ccccn2)nc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072360081 203204937 /nfs/dbraw/zinc/20/49/37/203204937.db2.gz CINRPQDEVSNTGX-OAHLLOKOSA-N 1 2 349.442 3.026 40 0 EGABLO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000257241269 244244534 /nfs/dbraw/zinc/24/45/34/244244534.db2.gz HXJLWBMQTWUHCY-HNNXBMFYSA-N 1 2 349.442 3.026 40 0 EGABLO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000257241269 244244536 /nfs/dbraw/zinc/24/45/36/244244536.db2.gz HXJLWBMQTWUHCY-HNNXBMFYSA-N 1 2 349.442 3.026 40 0 EGABLO COc1c2c(cc3c1[C@H](CC(=O)c1cccs1)[N@H+](C)CC3)OCO2 ZINC000020111852 286188549 /nfs/dbraw/zinc/18/85/49/286188549.db2.gz PMZKRRGWVUGHGX-LBPRGKRZSA-N 1 2 345.420 3.287 40 0 biogenic EGABLO COc1c2c(cc3c1[C@H](CC(=O)c1cccs1)[N@@H+](C)CC3)OCO2 ZINC000020111852 286188551 /nfs/dbraw/zinc/18/85/51/286188551.db2.gz PMZKRRGWVUGHGX-LBPRGKRZSA-N 1 2 345.420 3.287 40 0 biogenic EGABLO CO[C@@H](C(=O)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21)c1ccccc1 ZINC000096426007 277274906 /nfs/dbraw/zinc/27/49/06/277274906.db2.gz HLVNFLALAMMCRC-UYAOXDASSA-N 1 2 347.418 3.401 40 0 EGABLO Cc1[nH+]c([C@]2(C)CCCN(C(=O)c3cncs3)C2)c2sccn12 ZINC000257259655 282003224 /nfs/dbraw/zinc/00/32/24/282003224.db2.gz KZIUSJUIKOJMIH-MRXNPFEDSA-N 1 2 346.481 3.355 40 0 EGABLO Cc1[nH+]c([C@@H]2CCCCN2C(=O)c2cccnc2)c2sccn12 ZINC000257331115 293365083 /nfs/dbraw/zinc/36/50/83/293365083.db2.gz XRKUUXRMGRFEHZ-AWEZNQCLSA-N 1 2 326.425 3.467 40 0 EGABLO Cc1c[nH]c([C@H]2COCCN2Cc2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000257269178 301025430 /nfs/dbraw/zinc/02/54/30/301025430.db2.gz MOWUSZVYXJWENC-CQSZACIVSA-N 1 2 325.334 3.310 40 0 EGABLO CC[C@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000097374026 323215702 /nfs/dbraw/zinc/21/57/02/323215702.db2.gz BZZMJZFDHNQCFP-QWRGUYRKSA-N 1 2 349.422 3.461 40 0 EGABLO COC(=O)C1=C([NH2+]Nc2ccccc2)CN(c2ccc(Cl)cc2)C1 ZINC000000044375 452495657 /nfs/dbraw/zinc/49/56/57/452495657.db2.gz ZDWTZDNSPAWZFY-UHFFFAOYSA-N 1 2 343.814 3.204 40 0 EGABLO C[C@@H](Nc1nc(Nc2ccc(F)cc2)nc(NN)[nH+]1)c1ccccc1 ZINC000005696642 452895937 /nfs/dbraw/zinc/89/59/37/452895937.db2.gz RIFZSAVUWGBFGS-LLVKDONJSA-N 1 2 339.378 3.213 40 0 EGABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[N@H+](Cc1cccs1)CC3 ZINC000012219929 453350075 /nfs/dbraw/zinc/35/00/75/453350075.db2.gz SLRNYNMIHPHGFA-UHFFFAOYSA-N 1 2 342.468 3.352 40 0 EGABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[N@@H+](Cc1cccs1)CC3 ZINC000012219929 453350079 /nfs/dbraw/zinc/35/00/79/453350079.db2.gz SLRNYNMIHPHGFA-UHFFFAOYSA-N 1 2 342.468 3.352 40 0 EGABLO Cc1nc2cc([C@H]3CC[N@H+](Cc4cccc(F)c4)C3)[nH]n2c(=O)c1C ZINC000012255193 453351640 /nfs/dbraw/zinc/35/16/40/453351640.db2.gz DWCYEMRZHXXBFI-HNNXBMFYSA-N 1 2 340.402 3.180 40 0 EGABLO Cc1nc2cc([C@H]3CC[N@@H+](Cc4cccc(F)c4)C3)[nH]n2c(=O)c1C ZINC000012255193 453351649 /nfs/dbraw/zinc/35/16/49/453351649.db2.gz DWCYEMRZHXXBFI-HNNXBMFYSA-N 1 2 340.402 3.180 40 0 EGABLO Cc1cc(C)cc(NC(=S)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000013769463 453488135 /nfs/dbraw/zinc/48/81/35/453488135.db2.gz NKTIFFURJXIYIY-UHFFFAOYSA-N 1 2 329.469 3.411 40 0 EGABLO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)on1 ZINC000014901565 453547371 /nfs/dbraw/zinc/54/73/71/453547371.db2.gz SKOBSTHTSJYDMF-UHFFFAOYSA-N 1 2 327.306 3.072 40 0 EGABLO Cc1cc(NC(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)on1 ZINC000014901565 453547374 /nfs/dbraw/zinc/54/73/74/453547374.db2.gz SKOBSTHTSJYDMF-UHFFFAOYSA-N 1 2 327.306 3.072 40 0 EGABLO CC[N@H+](CCCNS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000015364892 453569366 /nfs/dbraw/zinc/56/93/66/453569366.db2.gz PCSZPZPDRISREI-UHFFFAOYSA-N 1 2 332.469 3.190 40 0 EGABLO CC[N@@H+](CCCNS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000015364892 453569371 /nfs/dbraw/zinc/56/93/71/453569371.db2.gz PCSZPZPDRISREI-UHFFFAOYSA-N 1 2 332.469 3.190 40 0 EGABLO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)cc1 ZINC000015674644 453582470 /nfs/dbraw/zinc/58/24/70/453582470.db2.gz NRICCFHEJCIMET-MOPGFXCFSA-N 1 2 349.434 3.277 40 0 biogenic,in-vitro EGABLO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)cc1 ZINC000015674644 453582472 /nfs/dbraw/zinc/58/24/72/453582472.db2.gz NRICCFHEJCIMET-MOPGFXCFSA-N 1 2 349.434 3.277 40 0 biogenic,in-vitro EGABLO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016035461 453592306 /nfs/dbraw/zinc/59/23/06/453592306.db2.gz LKESYTWSCKOIMC-OUAUKWLOSA-N 1 2 331.243 3.430 40 0 EGABLO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016035461 453592311 /nfs/dbraw/zinc/59/23/11/453592311.db2.gz LKESYTWSCKOIMC-OUAUKWLOSA-N 1 2 331.243 3.430 40 0 EGABLO O=C(NCc1[nH+]ccn1CCCc1ccccc1)[C@H]1CCCS1 ZINC000081931280 453917827 /nfs/dbraw/zinc/91/78/27/453917827.db2.gz MQYBCWWCYQDOTF-MRXNPFEDSA-N 1 2 329.469 3.028 40 0 EGABLO O=C(CCC(=O)c1cccs1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000040460777 453951106 /nfs/dbraw/zinc/95/11/06/453951106.db2.gz JFVVUWGHDVUXOK-UHFFFAOYSA-N 1 2 349.481 3.402 40 0 EGABLO COC[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045100 454268608 /nfs/dbraw/zinc/26/86/08/454268608.db2.gz XJEDNRZMFDXQET-HNNXBMFYSA-N 1 2 347.409 3.317 40 0 EGABLO COc1ccc(C(F)(F)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000096484894 454366203 /nfs/dbraw/zinc/36/62/03/454366203.db2.gz PIEKXCFCHNRBIX-CJNGLKHVSA-N 1 2 349.381 3.093 40 0 EGABLO COc1ccc(C(F)(F)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000096484895 454366470 /nfs/dbraw/zinc/36/64/70/454366470.db2.gz PIEKXCFCHNRBIX-BBRMVZONSA-N 1 2 349.381 3.093 40 0 EGABLO C[NH+](C)[C@@H](CNC(=O)CC[C@H]1CCCCO1)c1c(F)cccc1F ZINC000079362823 454401974 /nfs/dbraw/zinc/40/19/74/454401974.db2.gz QDKBFZQHSBQSNI-CJNGLKHVSA-N 1 2 340.414 3.033 40 0 EGABLO O[C@H]1CCCN(c2[nH+]c3ccccc3n2Cc2ccc(F)cc2)C1 ZINC000091356270 454430301 /nfs/dbraw/zinc/43/03/01/454430301.db2.gz SXSGYNIHJYJENG-INIZCTEOSA-N 1 2 325.387 3.185 40 0 EGABLO O=C(CC1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1)N1CCCC1 ZINC000121527918 454447683 /nfs/dbraw/zinc/44/76/83/454447683.db2.gz RDCDWSJHNZJOBV-UHFFFAOYSA-N 1 2 340.389 3.328 40 0 EGABLO O=C(CCc1c[nH]c2ccccc12)N1CC[NH+](Cc2ccco2)CC1 ZINC000065514366 454580796 /nfs/dbraw/zinc/58/07/96/454580796.db2.gz AMARULKXWOQQIJ-UHFFFAOYSA-N 1 2 337.423 3.038 40 0 EGABLO Cc1nc(N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc[nH+]1 ZINC000154223843 454876339 /nfs/dbraw/zinc/87/63/39/454876339.db2.gz PXWKKAXLNULFHY-AWEZNQCLSA-N 1 2 339.443 3.214 40 0 EGABLO Cc1c[nH+]ccc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000112496643 454888376 /nfs/dbraw/zinc/88/83/76/454888376.db2.gz OAHLRAKGVKKZBH-UHFFFAOYSA-N 1 2 345.193 3.092 40 0 EGABLO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C(C)(C)c2ccccc2)c(C)[nH+]1 ZINC000126793498 454918779 /nfs/dbraw/zinc/91/87/79/454918779.db2.gz LSLDQBQHKUCPIJ-HNNXBMFYSA-N 1 2 339.439 3.119 40 0 EGABLO Cc1ccc(NC(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c(C)[nH+]1 ZINC000152176623 455082336 /nfs/dbraw/zinc/08/23/36/455082336.db2.gz SLXSCNQCMFFVED-AWEZNQCLSA-N 1 2 329.404 3.478 40 0 EGABLO CCC[C@H]([NH2+][C@H](C)c1cn[nH]c1C)C(=O)N1CCc2sccc2C1 ZINC000180407230 455164629 /nfs/dbraw/zinc/16/46/29/455164629.db2.gz BCMQNJNIUNOMKN-WBMJQRKESA-N 1 2 346.500 3.184 40 0 EGABLO Cn1ncc2c1nc[nH+]c2NCCc1csc(-c2ccccc2)n1 ZINC000175732896 455489521 /nfs/dbraw/zinc/48/95/21/455489521.db2.gz RUBVKYFGWYEPSP-UHFFFAOYSA-N 1 2 336.424 3.141 40 0 EGABLO Fc1ccc(C[NH+]2CC3(C2)OCC[C@H]3COCc2ccncc2)cc1 ZINC000247559036 455625055 /nfs/dbraw/zinc/62/50/55/455625055.db2.gz YGNDWWWGSUQFBV-SFHVURJKSA-N 1 2 342.414 3.028 40 0 EGABLO Cc1nc(CO[C@H]2Cn3cccc3C[N@H+](Cc3ccco3)C2)cs1 ZINC000248058246 455676190 /nfs/dbraw/zinc/67/61/90/455676190.db2.gz VBCTUDGDHVARKT-GOSISDBHSA-N 1 2 343.452 3.447 40 0 EGABLO Cc1nc(CO[C@H]2Cn3cccc3C[N@@H+](Cc3ccco3)C2)cs1 ZINC000248058246 455676193 /nfs/dbraw/zinc/67/61/93/455676193.db2.gz VBCTUDGDHVARKT-GOSISDBHSA-N 1 2 343.452 3.447 40 0 EGABLO C[C@@H]1CCN(C(=O)NCC2CCC(F)(F)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000253398002 455839098 /nfs/dbraw/zinc/83/90/98/455839098.db2.gz JONNTNPZRJQGOD-HIFRSBDPSA-N 1 2 340.418 3.301 40 0 EGABLO C[C@H]1CN(c2cc(N3CCCC3)[nH+]cn2)C[C@@H](c2ccsc2)O1 ZINC000253433099 455848624 /nfs/dbraw/zinc/84/86/24/455848624.db2.gz RVKGMDTZNTYLPC-ZFWWWQNUSA-N 1 2 330.457 3.105 40 0 EGABLO C[C@H]1CN(c2cc(N3CCCC3)nc[nH+]2)C[C@@H](c2ccsc2)O1 ZINC000253433099 455848632 /nfs/dbraw/zinc/84/86/32/455848632.db2.gz RVKGMDTZNTYLPC-ZFWWWQNUSA-N 1 2 330.457 3.105 40 0 EGABLO C[C@@H]1CN(c2cc(N3CCCC3)[nH+]cn2)C[C@@H](c2ccsc2)O1 ZINC000253433097 455848735 /nfs/dbraw/zinc/84/87/35/455848735.db2.gz RVKGMDTZNTYLPC-HIFRSBDPSA-N 1 2 330.457 3.105 40 0 EGABLO C[C@@H]1CN(c2cc(N3CCCC3)nc[nH+]2)C[C@@H](c2ccsc2)O1 ZINC000253433097 455848742 /nfs/dbraw/zinc/84/87/42/455848742.db2.gz RVKGMDTZNTYLPC-HIFRSBDPSA-N 1 2 330.457 3.105 40 0 EGABLO C[C@H]1CN(c2cc(N3CCCC3)[nH+]cn2)C[C@H](c2ccsc2)O1 ZINC000253433096 455849095 /nfs/dbraw/zinc/84/90/95/455849095.db2.gz RVKGMDTZNTYLPC-DZGCQCFKSA-N 1 2 330.457 3.105 40 0 EGABLO C[C@H]1CN(c2cc(N3CCCC3)nc[nH+]2)C[C@H](c2ccsc2)O1 ZINC000253433096 455849100 /nfs/dbraw/zinc/84/91/00/455849100.db2.gz RVKGMDTZNTYLPC-DZGCQCFKSA-N 1 2 330.457 3.105 40 0 EGABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](Oc1ncccc1F)CCO2 ZINC000253599549 455854768 /nfs/dbraw/zinc/85/47/68/455854768.db2.gz RCVPPSOVHOYKOU-AWEZNQCLSA-N 1 2 348.443 3.403 40 0 EGABLO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](Cc4ncc[nH]4)[C@@H]3C[C@H]21 ZINC000257204859 455880074 /nfs/dbraw/zinc/88/00/74/455880074.db2.gz AWOMQSYRHOWXOS-LFEHRJTNSA-N 1 2 339.439 3.301 40 0 EGABLO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4ncc[nH]4)[C@@H]3C[C@H]21 ZINC000257204859 455880080 /nfs/dbraw/zinc/88/00/80/455880080.db2.gz AWOMQSYRHOWXOS-LFEHRJTNSA-N 1 2 339.439 3.301 40 0 EGABLO Cc1ccc2nc(C(=O)N3CCC[C@@H]3c3cc[nH+]c(N(C)C)c3)cn2c1 ZINC000257332861 455894490 /nfs/dbraw/zinc/89/44/90/455894490.db2.gz XZAVDVUMTIZKHN-QGZVFWFLSA-N 1 2 349.438 3.081 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)COc3ccccc3F)C2)cc[nH+]1 ZINC000257339917 455896340 /nfs/dbraw/zinc/89/63/40/455896340.db2.gz ZDSGRRDINLGTFN-OAHLLOKOSA-N 1 2 343.402 3.047 40 0 EGABLO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@H+](Cc1ccccc1Cl)C2 ZINC000225479712 456086136 /nfs/dbraw/zinc/08/61/36/456086136.db2.gz UXEYSOAGOKHBSS-BBRMVZONSA-N 1 2 328.799 3.314 40 0 biogenic,in-vitro EGABLO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@@H+](Cc1ccccc1Cl)C2 ZINC000225479712 456086140 /nfs/dbraw/zinc/08/61/40/456086140.db2.gz UXEYSOAGOKHBSS-BBRMVZONSA-N 1 2 328.799 3.314 40 0 biogenic,in-vitro EGABLO O=C(Nc1ccn2cc[nH+]c2c1)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000333450185 456219980 /nfs/dbraw/zinc/21/99/80/456219980.db2.gz YJECKNLQBWCMSN-QGZVFWFLSA-N 1 2 340.427 3.147 40 0 EGABLO CC(C)Cn1ncc(Nc2ncnc3c2C[N@H+](C)CC3)c1C(C)C ZINC000329143285 456843219 /nfs/dbraw/zinc/84/32/19/456843219.db2.gz VMKIBBNPXPWASZ-UHFFFAOYSA-N 1 2 328.464 3.184 40 0 EGABLO CC(C)Cn1ncc(Nc2ncnc3c2C[N@@H+](C)CC3)c1C(C)C ZINC000329143285 456843223 /nfs/dbraw/zinc/84/32/23/456843223.db2.gz VMKIBBNPXPWASZ-UHFFFAOYSA-N 1 2 328.464 3.184 40 0 EGABLO Cn1cc[nH+]c1[C@H](NC(=O)CCc1ccccc1F)c1ccccc1 ZINC000029068605 527463702 /nfs/dbraw/zinc/46/37/02/527463702.db2.gz JZZRAGCXAAEDGW-LJQANCHMSA-N 1 2 337.398 3.398 40 0 EGABLO Cc1cc(CNc2ccccc2CS(C)(=O)=O)c2c([nH+]1)CCCC2 ZINC001334158254 1390491494 /nfs/dbraw/zinc/49/14/94/1390491494.db2.gz YFYRTRPXKRUKHX-UHFFFAOYSA-N 1 2 344.480 3.426 40 0 EGABLO Cc1csc2c(C3CCN(C(=O)c4ccccn4)CC3)[nH+]c(C)n12 ZINC000019240562 202000425 /nfs/dbraw/zinc/00/04/25/202000425.db2.gz FIIVLZBMOHXTAJ-UHFFFAOYSA-N 1 2 340.452 3.427 40 0 EGABLO O=C(CCCn1cc[nH+]c1)Nc1ncc(Cc2ccccc2F)s1 ZINC000019349651 202005518 /nfs/dbraw/zinc/00/55/18/202005518.db2.gz ZJEHVXYXOUWFJY-UHFFFAOYSA-N 1 2 344.415 3.488 40 0 EGABLO Cc1cccc(O[C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000020454151 202043396 /nfs/dbraw/zinc/04/33/96/202043396.db2.gz RDQGIGVLXOVNCR-MRXNPFEDSA-N 1 2 335.407 3.264 40 0 EGABLO C[C@@H](NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccco1 ZINC000022609921 202088682 /nfs/dbraw/zinc/08/86/82/202088682.db2.gz FDBLIRWHVBMWKX-CABCVRRESA-N 1 2 348.468 3.200 40 0 EGABLO C[C@@H](NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccco1 ZINC000022609921 202088685 /nfs/dbraw/zinc/08/86/85/202088685.db2.gz FDBLIRWHVBMWKX-CABCVRRESA-N 1 2 348.468 3.200 40 0 EGABLO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)c(C)o1 ZINC000025468815 202131790 /nfs/dbraw/zinc/13/17/90/202131790.db2.gz VGQOOOXTQIVOOO-MRXNPFEDSA-N 1 2 327.359 3.288 40 0 EGABLO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)c(C)o1 ZINC000025468810 202131823 /nfs/dbraw/zinc/13/18/23/202131823.db2.gz VGQOOOXTQIVOOO-INIZCTEOSA-N 1 2 327.359 3.288 40 0 EGABLO CCO[C@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)nc1)C1=CCCC1 ZINC000073010698 202368937 /nfs/dbraw/zinc/36/89/37/202368937.db2.gz YPJUVFDETNJWOT-MRXNPFEDSA-N 1 2 326.400 3.111 40 0 EGABLO COc1ccccc1Oc1ccc(C(=O)NCCCn2cc[nH+]c2)o1 ZINC000072265326 202358964 /nfs/dbraw/zinc/35/89/64/202358964.db2.gz LZHAENYJUAEZEV-UHFFFAOYSA-N 1 2 341.367 3.097 40 0 EGABLO O=C(Cn1cc[nH+]c1)NCc1ccccc1Oc1ccccc1F ZINC000073471454 202370238 /nfs/dbraw/zinc/37/02/38/202370238.db2.gz YYXPHGCHMONBKY-UHFFFAOYSA-N 1 2 325.343 3.131 40 0 EGABLO CC(=O)Nc1ccc(C[NH2+]C(C)(C)c2noc(C(C)(C)C)n2)cc1 ZINC000078555841 202397658 /nfs/dbraw/zinc/39/76/58/202397658.db2.gz ZVQIAMAWAXOSBF-UHFFFAOYSA-N 1 2 330.432 3.350 40 0 EGABLO Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000192816394 201054355 /nfs/dbraw/zinc/05/43/55/201054355.db2.gz AGROWZKYLHXCQW-ZDUSSCGKSA-N 1 2 343.402 3.286 40 0 EGABLO CSc1ccccc1C[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000280632810 201325788 /nfs/dbraw/zinc/32/57/88/201325788.db2.gz YYNULEHUWCQCBN-UHFFFAOYSA-N 1 2 339.464 3.287 40 0 EGABLO CSc1ccccc1C[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000280632810 201325790 /nfs/dbraw/zinc/32/57/90/201325790.db2.gz YYNULEHUWCQCBN-UHFFFAOYSA-N 1 2 339.464 3.287 40 0 EGABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)COc1ccccc1C ZINC000226260312 242092047 /nfs/dbraw/zinc/09/20/47/242092047.db2.gz AUVCYGBBDWYPPL-UHFFFAOYSA-N 1 2 327.428 3.441 40 0 EGABLO O=C(NCCn1cc[nH+]c1)N1CC=C(c2cccc3ccccc32)C1 ZINC000242048159 243009219 /nfs/dbraw/zinc/00/92/19/243009219.db2.gz VTJBULGRKQGDHB-UHFFFAOYSA-N 1 2 332.407 3.145 40 0 EGABLO COc1ccc2cc(CN3CCOC[C@@H]3c3[nH]cc(C)[nH+]3)ccc2c1 ZINC000257210620 244150852 /nfs/dbraw/zinc/15/08/52/244150852.db2.gz BVLMTIVWFPDCKK-LJQANCHMSA-N 1 2 337.423 3.453 40 0 EGABLO Cc1cc(C(F)(F)F)nc([C@]2(C)CCCN2Cc2c[nH+]cn2C)n1 ZINC000257231991 244216390 /nfs/dbraw/zinc/21/63/90/244216390.db2.gz GIXVSCQJTCIPPE-HNNXBMFYSA-N 1 2 339.365 3.049 40 0 EGABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccs2)C3)CC1 ZINC000072335499 203202155 /nfs/dbraw/zinc/20/21/55/203202155.db2.gz WQNVZZFDYTVBDC-UHFFFAOYSA-N 1 2 344.484 3.038 40 0 EGABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccs2)C3)CC1 ZINC000072335499 203202159 /nfs/dbraw/zinc/20/21/59/203202159.db2.gz WQNVZZFDYTVBDC-UHFFFAOYSA-N 1 2 344.484 3.038 40 0 EGABLO CC(C)c1ncc(C(=O)N2Cc3[nH+]ccn3C[C@H]2c2ccccc2)cn1 ZINC000257269306 244369081 /nfs/dbraw/zinc/36/90/81/244369081.db2.gz MPKNICYCVDCRBJ-KRWDZBQOSA-N 1 2 347.422 3.194 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)cc[nH+]1 ZINC000257270932 244375674 /nfs/dbraw/zinc/37/56/74/244375674.db2.gz MWFWTADZELRZEZ-AWEZNQCLSA-N 1 2 341.459 3.164 40 0 EGABLO Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)s1 ZINC000257275154 244391808 /nfs/dbraw/zinc/39/18/08/244391808.db2.gz NOCCPEXUURYNPI-HNNXBMFYSA-N 1 2 344.484 3.127 40 0 EGABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2cccs2)c1 ZINC000257279845 278022422 /nfs/dbraw/zinc/02/24/22/278022422.db2.gz OIKIJVWHSFJWPK-OAHLLOKOSA-N 1 2 339.420 3.351 40 0 EGABLO Cc1cncc(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000097378544 323215735 /nfs/dbraw/zinc/21/57/35/323215735.db2.gz QPMBHMUOEJEBAH-OAHLLOKOSA-N 1 2 344.484 3.040 40 0 EGABLO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1cccc(OC)c1 ZINC000000807999 452635464 /nfs/dbraw/zinc/63/54/64/452635464.db2.gz LXBHUSQAYZBWAQ-HNNXBMFYSA-N 1 2 340.423 3.437 40 0 EGABLO C[C@H]1CCC[N@H+](Cc2nnnn2-c2ccc(Cl)c(Cl)c2)C1 ZINC000004129616 452795421 /nfs/dbraw/zinc/79/54/21/452795421.db2.gz FKJYIZVTNKFGPS-JTQLQIEISA-N 1 2 326.231 3.201 40 0 EGABLO C[C@H]1CCC[N@@H+](Cc2nnnn2-c2ccc(Cl)c(Cl)c2)C1 ZINC000004129616 452795424 /nfs/dbraw/zinc/79/54/24/452795424.db2.gz FKJYIZVTNKFGPS-JTQLQIEISA-N 1 2 326.231 3.201 40 0 EGABLO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccccc1OC ZINC000005585249 452885912 /nfs/dbraw/zinc/88/59/12/452885912.db2.gz DZPMIZFNUCDFBO-OAHLLOKOSA-N 1 2 340.423 3.437 40 0 EGABLO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCCCC1 ZINC000014670791 453541611 /nfs/dbraw/zinc/54/16/11/453541611.db2.gz OBKZJJBLUVYOAX-OAHLLOKOSA-N 1 2 329.469 3.446 40 0 EGABLO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCCCC1 ZINC000014670791 453541613 /nfs/dbraw/zinc/54/16/13/453541613.db2.gz OBKZJJBLUVYOAX-OAHLLOKOSA-N 1 2 329.469 3.446 40 0 EGABLO CC[C@@H](C)[N@@H+](CN1C(=S)SC2=NC(=O)CCCN21)[C@@H](C)CC ZINC000017268733 453632283 /nfs/dbraw/zinc/63/22/83/453632283.db2.gz XBEMVZXYXJVNCA-TXEJJXNPSA-N 1 2 342.534 3.070 40 0 EGABLO CC[C@@H](C)[N@H+](CN1C(=S)SC2=NC(=O)CCCN21)[C@@H](C)CC ZINC000017268733 453632288 /nfs/dbraw/zinc/63/22/88/453632288.db2.gz XBEMVZXYXJVNCA-TXEJJXNPSA-N 1 2 342.534 3.070 40 0 EGABLO O=C(Cc1ccc2c(c1)CCCC2)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000031285299 453843901 /nfs/dbraw/zinc/84/39/01/453843901.db2.gz PXZCUWSFAURSRT-UHFFFAOYSA-N 1 2 349.478 3.420 40 0 EGABLO O=C(OCC[NH+]1CCOCC1)[C@H](c1ccccc1)C1CCCCC1 ZINC000032130742 453865013 /nfs/dbraw/zinc/86/50/13/453865013.db2.gz LTQNGVKSCYZOJZ-LJQANCHMSA-N 1 2 331.456 3.226 40 0 EGABLO C[C@H](c1ccccn1)[NH+]1CCN(C(=O)N(C)c2ccc(F)cc2)CC1 ZINC000190865125 455393583 /nfs/dbraw/zinc/39/35/83/455393583.db2.gz WXKZIASKVPEPQW-OAHLLOKOSA-N 1 2 342.418 3.156 40 0 EGABLO CCN(C)C(=O)c1nc2c(n1C(C)C)CC[N@H+](Cc1ccccc1)C2 ZINC000096264913 454314297 /nfs/dbraw/zinc/31/42/97/454314297.db2.gz HJFCSWAZFLGHJT-UHFFFAOYSA-N 1 2 340.471 3.114 40 0 EGABLO CCN(C)C(=O)c1nc2c(n1C(C)C)CC[N@@H+](Cc1ccccc1)C2 ZINC000096264913 454314300 /nfs/dbraw/zinc/31/43/00/454314300.db2.gz HJFCSWAZFLGHJT-UHFFFAOYSA-N 1 2 340.471 3.114 40 0 EGABLO CCc1cccc2c(CC(=O)N[C@@H]3CCC[C@@H]3n3cc[nH+]c3)c[nH]c21 ZINC000078769281 454315422 /nfs/dbraw/zinc/31/54/22/454315422.db2.gz JJCQBUXNZLQFNC-MSOLQXFVSA-N 1 2 336.439 3.379 40 0 EGABLO COc1cc[nH+]cc1NC(=O)CN(Cc1cccnc1)c1ccccc1 ZINC000096411216 454329311 /nfs/dbraw/zinc/32/93/11/454329311.db2.gz NZUDFUHKIOYDMQ-UHFFFAOYSA-N 1 2 348.406 3.131 40 0 EGABLO COc1ccccc1COC[C@@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000096417583 454333498 /nfs/dbraw/zinc/33/34/98/454333498.db2.gz CIEWBFJJTSRNQV-SFHVURJKSA-N 1 2 338.407 3.136 40 0 EGABLO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@@H]2OCCc3ccccc32)CC1 ZINC000096424300 454337885 /nfs/dbraw/zinc/33/78/85/454337885.db2.gz NZSOVVZNEIOMTQ-UWJYYQICSA-N 1 2 337.467 3.074 40 0 EGABLO Cc1nc(C)c(CNC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)s1 ZINC000096434636 454345636 /nfs/dbraw/zinc/34/56/36/454345636.db2.gz UUCZWWBVBQQNOO-UHFFFAOYSA-N 1 2 341.440 3.482 40 0 EGABLO c1cn(Cc2ccccc2)c(CNc2ccc(-n3cncn3)cc2)[nH+]1 ZINC000096450116 454355213 /nfs/dbraw/zinc/35/52/13/454355213.db2.gz CMJUWGAKKHJWIK-UHFFFAOYSA-N 1 2 330.395 3.124 40 0 EGABLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)N[C@@H]1CCCSC1 ZINC000096452348 454356112 /nfs/dbraw/zinc/35/61/12/454356112.db2.gz YVZCQVXNCSGCAR-MRXNPFEDSA-N 1 2 348.516 3.157 40 0 EGABLO C[C@H]1CCC[C@H](OCC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000079032153 454359083 /nfs/dbraw/zinc/35/90/83/454359083.db2.gz GEQAHFDWRNGMAI-WMZOPIPTSA-N 1 2 346.471 3.053 40 0 EGABLO CC[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccs1 ZINC000096468872 454361160 /nfs/dbraw/zinc/36/11/60/454361160.db2.gz FVWJFVRDCPYTCF-HUUCEWRRSA-N 1 2 331.441 3.457 40 0 EGABLO Cc1cnc(C[NH2+][C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)o1 ZINC000096491764 454368665 /nfs/dbraw/zinc/36/86/65/454368665.db2.gz BCFJNOJOOSIIQB-CQSZACIVSA-N 1 2 336.395 3.481 40 0 EGABLO Cc1nc2cc(C(=O)N3CC[N@@H+](C)[C@@H](c4ccccc4)C3)ccc2[nH]1 ZINC000096739991 454380312 /nfs/dbraw/zinc/38/03/12/454380312.db2.gz LQRWSFOOHAWADK-LJQANCHMSA-N 1 2 334.423 3.000 40 0 EGABLO Cc1nc2cc(C(=O)N3CC[N@H+](C)[C@@H](c4ccccc4)C3)ccc2[nH]1 ZINC000096739991 454380317 /nfs/dbraw/zinc/38/03/17/454380317.db2.gz LQRWSFOOHAWADK-LJQANCHMSA-N 1 2 334.423 3.000 40 0 EGABLO CCN(CC)c1cc(NC[C@H]2CCCN2C(=O)OC(C)(C)C)[nH+]cn1 ZINC000079440163 454416275 /nfs/dbraw/zinc/41/62/75/454416275.db2.gz INEDDVOSRSSGDN-CQSZACIVSA-N 1 2 349.479 3.134 40 0 EGABLO CCN(CC)c1cc(NC[C@H]2CCCN2C(=O)OC(C)(C)C)nc[nH+]1 ZINC000079440163 454416279 /nfs/dbraw/zinc/41/62/79/454416279.db2.gz INEDDVOSRSSGDN-CQSZACIVSA-N 1 2 349.479 3.134 40 0 EGABLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](c3ccc(C)o3)C2)o1 ZINC000093864661 454740572 /nfs/dbraw/zinc/74/05/72/454740572.db2.gz BBTSHICVPFTBOV-KRWDZBQOSA-N 1 2 327.384 3.453 40 0 EGABLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@H](c3ccc(C)o3)C2)o1 ZINC000093864661 454740576 /nfs/dbraw/zinc/74/05/76/454740576.db2.gz BBTSHICVPFTBOV-KRWDZBQOSA-N 1 2 327.384 3.453 40 0 EGABLO CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(C)[nH+]c2C)o1 ZINC000162258784 454763305 /nfs/dbraw/zinc/76/33/05/454763305.db2.gz VKNQOZWUNPQRKZ-INIZCTEOSA-N 1 2 329.400 3.459 40 0 EGABLO COC(=O)[C@@H](c1cccc(Cl)c1Cl)[N@H+](C)C[C@H]1CCOC1 ZINC000110712685 454852252 /nfs/dbraw/zinc/85/22/52/454852252.db2.gz XOSQDPYYUPBOLQ-QMTHXVAHSA-N 1 2 332.227 3.176 40 0 EGABLO COC(=O)[C@@H](c1cccc(Cl)c1Cl)[N@@H+](C)C[C@H]1CCOC1 ZINC000110712685 454852253 /nfs/dbraw/zinc/85/22/53/454852253.db2.gz XOSQDPYYUPBOLQ-QMTHXVAHSA-N 1 2 332.227 3.176 40 0 EGABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171724149 455089216 /nfs/dbraw/zinc/08/92/16/455089216.db2.gz ACDJERFZDKGWFR-AWEZNQCLSA-N 1 2 340.452 3.207 40 0 EGABLO CN(C)c1noc(C[NH2+]C(C)(C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000192819612 455700001 /nfs/dbraw/zinc/70/00/01/455700001.db2.gz JVGHEMBGHYOKMK-UHFFFAOYSA-N 1 2 344.337 3.059 40 0 EGABLO COCc1noc(C[N@@H+]2C[C@H](C)CC[C@H]2c2ccccc2OC)n1 ZINC000253417485 455841896 /nfs/dbraw/zinc/84/18/96/455841896.db2.gz WMWBEAPQEUZFJO-HIFRSBDPSA-N 1 2 331.416 3.198 40 0 EGABLO COCc1noc(C[N@H+]2C[C@H](C)CC[C@H]2c2ccccc2OC)n1 ZINC000253417485 455841898 /nfs/dbraw/zinc/84/18/98/455841898.db2.gz WMWBEAPQEUZFJO-HIFRSBDPSA-N 1 2 331.416 3.198 40 0 EGABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2Cc2csc(C)n2)c1 ZINC000257284322 455883064 /nfs/dbraw/zinc/88/30/64/455883064.db2.gz PCFOFCQAIFWOPT-KRWDZBQOSA-N 1 2 340.452 3.414 40 0 EGABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cn(C)c4ccccc34)C2)[nH+]1 ZINC000257299132 455886145 /nfs/dbraw/zinc/88/61/45/455886145.db2.gz ROVVDDRIZGUHBS-HNNXBMFYSA-N 1 2 336.439 3.240 40 0 EGABLO Cc1cc(C(F)(F)F)nc([C@@]2(C)CCCN2Cc2[nH+]ccn2C)n1 ZINC000257322180 455891845 /nfs/dbraw/zinc/89/18/45/455891845.db2.gz WEXFGHVJNZVNEG-OAHLLOKOSA-N 1 2 339.365 3.049 40 0 EGABLO CN(C)c1cc([C@@H]2CCCN2C(=O)Cc2ccccc2F)cc[nH+]1 ZINC000257331393 455893300 /nfs/dbraw/zinc/89/33/00/455893300.db2.gz XSRCHCUVZKBENS-KRWDZBQOSA-N 1 2 327.403 3.193 40 0 EGABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3c(C)oc4c3CCCC4)C2)[nH+]1 ZINC000257333279 455894545 /nfs/dbraw/zinc/89/45/45/455894545.db2.gz YAXZODNLLXPBQD-CQSZACIVSA-N 1 2 327.428 3.138 40 0 EGABLO COc1ccc2cc(NC(=O)C3CC[NH+](CC(F)F)CC3)ccc2n1 ZINC000225558129 456092496 /nfs/dbraw/zinc/09/24/96/456092496.db2.gz JBDNCENMGCWCQR-UHFFFAOYSA-N 1 2 349.381 3.159 40 0 EGABLO Cc1[nH+]c([C@]2(C)CCCN(C(=O)C3CCOCC3)C2)c2sccn12 ZINC000585178892 459831415 /nfs/dbraw/zinc/83/14/15/459831415.db2.gz DVMTYDBSQVHRLQ-GOSISDBHSA-N 1 2 347.484 3.011 40 0 EGABLO COc1ccc(Cl)cc1C(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575604989 459979430 /nfs/dbraw/zinc/97/94/30/459979430.db2.gz FBCSPWKKQRUFEG-HNNXBMFYSA-N 1 2 346.814 3.427 40 0 EGABLO C[C@H]1C[C@@H](NC(=O)Nc2nc(C3CCOCC3)cs2)c2[nH+]ccn21 ZINC000333183538 518184856 /nfs/dbraw/zinc/18/48/56/518184856.db2.gz MJOHREIWRGDLRI-CMPLNLGQSA-N 1 2 347.444 3.061 40 0 EGABLO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000008025001 525922172 /nfs/dbraw/zinc/92/21/72/525922172.db2.gz SOXCNMGOBRWRSU-OAHLLOKOSA-N 1 2 329.444 3.154 40 0 EGABLO Cc1ccc(NC(=O)N2CC[C@@H](Cc3nccs3)C2)c(N(C)C)[nH+]1 ZINC000930506409 1328879912 /nfs/dbraw/zinc/87/99/12/1328879912.db2.gz VVCBBOWUAYHDPM-ZDUSSCGKSA-N 1 2 345.472 3.009 40 0 EGABLO CCn1c(C)[nH+]c2cc(NC(=O)c3cc(-c4ccccn4)[nH]n3)ccc21 ZINC000019657058 202015828 /nfs/dbraw/zinc/01/58/28/202015828.db2.gz NYTAQKPTEBFBAL-UHFFFAOYSA-N 1 2 346.394 3.402 40 0 EGABLO COc1ccccc1CCCn1c[nH+]cc1-c1cnc(N(C)C)nc1 ZINC000019719329 202016088 /nfs/dbraw/zinc/01/60/88/202016088.db2.gz MTCFHVRSTCVEHP-UHFFFAOYSA-N 1 2 337.427 3.048 40 0 EGABLO CCn1nc(C)c(-c2c[nH+]cn2C[C@@H](C)n2nc(C)cc2C)c1C ZINC000019719593 202016548 /nfs/dbraw/zinc/01/65/48/202016548.db2.gz GIKHQUAARXXUMR-CQSZACIVSA-N 1 2 326.448 3.458 40 0 EGABLO CC(=O)c1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)s1 ZINC000029069827 202180706 /nfs/dbraw/zinc/18/07/06/202180706.db2.gz QFBWNOBXUDNFQW-MRXNPFEDSA-N 1 2 339.420 3.204 40 0 EGABLO CC(=O)Nc1nc(C[N@H+](C)CCOc2ccccc2Cl)cs1 ZINC000029154198 202182338 /nfs/dbraw/zinc/18/23/38/202182338.db2.gz IAXJIUWIEBTHAA-UHFFFAOYSA-N 1 2 339.848 3.266 40 0 EGABLO CC(=O)Nc1nc(C[N@@H+](C)CCOc2ccccc2Cl)cs1 ZINC000029154198 202182340 /nfs/dbraw/zinc/18/23/40/202182340.db2.gz IAXJIUWIEBTHAA-UHFFFAOYSA-N 1 2 339.848 3.266 40 0 EGABLO CCc1[nH+]c(C)ccc1OCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000193725080 240284825 /nfs/dbraw/zinc/28/48/25/240284825.db2.gz QFBZIUFSBPMBMW-LBPRGKRZSA-N 1 2 330.350 3.132 40 0 EGABLO Cc1cc(N(C)C)[nH+]c2ccc(S(=O)(=O)Nc3ccccc3)cc12 ZINC000217439856 241251323 /nfs/dbraw/zinc/25/13/23/241251323.db2.gz RUVIKBNJHPCLRG-UHFFFAOYSA-N 1 2 341.436 3.410 40 0 EGABLO COCc1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000241816014 243003151 /nfs/dbraw/zinc/00/31/51/243003151.db2.gz SEWVNRUTVSZVHI-UHFFFAOYSA-N 1 2 335.407 3.259 40 0 EGABLO CNc1cc([C@H]2CCCN2C(=O)Cn2c(C)nc3ccccc32)cc[nH+]1 ZINC000257214457 244164085 /nfs/dbraw/zinc/16/40/85/244164085.db2.gz CMCJGRPIGGXWQG-QGZVFWFLSA-N 1 2 349.438 3.145 40 0 EGABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)C2CCCC2)n1 ZINC000072378513 203209090 /nfs/dbraw/zinc/20/90/90/203209090.db2.gz FNBUWKGDNCCNGC-INIZCTEOSA-N 1 2 339.443 3.078 40 0 EGABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2Cc2cncs2)cc1 ZINC000257234390 244223454 /nfs/dbraw/zinc/22/34/54/244223454.db2.gz GTHUYZJWOBSRQL-INIZCTEOSA-N 1 2 326.425 3.105 40 0 EGABLO Cc1csc(NC(=O)C[NH+]2CCC(c3ccccc3F)CC2)n1 ZINC000072342087 203203642 /nfs/dbraw/zinc/20/36/42/203203642.db2.gz NSYFAHKIAUXTPP-UHFFFAOYSA-N 1 2 333.432 3.409 40 0 EGABLO Cc1cn(C)c([C@@H]2CCN(C(=O)CCc3ccc(Cl)cc3)C2)[nH+]1 ZINC000257240278 244241210 /nfs/dbraw/zinc/24/12/10/244241210.db2.gz HSVLWTXEIPGDCF-OAHLLOKOSA-N 1 2 331.847 3.331 40 0 EGABLO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cn2)cc(N(C)C)n1 ZINC000257247421 244261326 /nfs/dbraw/zinc/26/13/26/244261326.db2.gz IYYVNRBDSFVYTG-INIZCTEOSA-N 1 2 331.851 3.237 40 0 EGABLO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cn2)cc(N(C)C)n1 ZINC000257247421 244261329 /nfs/dbraw/zinc/26/13/29/244261329.db2.gz IYYVNRBDSFVYTG-INIZCTEOSA-N 1 2 331.851 3.237 40 0 EGABLO O=C(c1ccc2c(c1)OCO2)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257258183 244288311 /nfs/dbraw/zinc/28/83/11/244288311.db2.gz KSSGKCMPVCCZKO-MRXNPFEDSA-N 1 2 347.374 3.009 40 0 EGABLO Cc1cc(N2CCC[C@H]2c2ccnc(Nc3ncccn3)c2)nc[nH+]1 ZINC000257269588 244372823 /nfs/dbraw/zinc/37/28/23/244372823.db2.gz MQOQRHPJPFHVCM-HNNXBMFYSA-N 1 2 333.399 3.055 40 0 EGABLO O=C(c1ccc(Cl)cc1)N1CCC2(CC1)NC(=O)[C@H]1CCCC[N@H+]12 ZINC000096429882 218803572 /nfs/dbraw/zinc/80/35/72/218803572.db2.gz JZUBTBBNLWVGEO-OAHLLOKOSA-N 1 2 347.846 3.097 40 0 EGABLO O=C(c1ccc(Cl)cc1)N1CCC2(CC1)NC(=O)[C@H]1CCCC[N@@H+]12 ZINC000096429882 218803576 /nfs/dbraw/zinc/80/35/76/218803576.db2.gz JZUBTBBNLWVGEO-OAHLLOKOSA-N 1 2 347.846 3.097 40 0 EGABLO O=c1c2sccc2nc2n1CC[N@@H+](Cc1ccccc1Cl)CC2 ZINC000019349434 285216188 /nfs/dbraw/zinc/21/61/88/285216188.db2.gz VSGRLUFVVMNDIJ-UHFFFAOYSA-N 1 2 345.855 3.170 40 0 EGABLO O=c1c2sccc2nc2n1CC[N@H+](Cc1ccccc1Cl)CC2 ZINC000019349434 285216189 /nfs/dbraw/zinc/21/61/89/285216189.db2.gz VSGRLUFVVMNDIJ-UHFFFAOYSA-N 1 2 345.855 3.170 40 0 EGABLO Cc1cc(NC(=O)NC[C@@H](O)c2cccc(OC(C)C)c2)cc[nH+]1 ZINC000119624698 221362689 /nfs/dbraw/zinc/36/26/89/221362689.db2.gz CWASLCUWPBBHHG-QGZVFWFLSA-N 1 2 329.400 3.032 40 0 EGABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257224051 293344012 /nfs/dbraw/zinc/34/40/12/293344012.db2.gz FACJRXXSNIPMOV-INIZCTEOSA-N 1 2 349.442 3.374 40 0 EGABLO C[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ncc(-c2ccccc2)o1 ZINC000097374516 323215781 /nfs/dbraw/zinc/21/57/81/323215781.db2.gz DTRGRHWPFCLCAI-AWEZNQCLSA-N 1 2 346.390 3.200 40 0 EGABLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccccn3)CC2)c1 ZINC000240569370 455264654 /nfs/dbraw/zinc/26/46/54/455264654.db2.gz HAAOBVIWYISPBJ-OAHLLOKOSA-N 1 2 340.427 3.001 40 0 EGABLO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1Cc1ncnn1CCF ZINC000242048164 455270295 /nfs/dbraw/zinc/27/02/95/455270295.db2.gz VTKBWWXJRYULKQ-GOEBONIOSA-N 1 2 332.423 3.229 40 0 EGABLO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cc1ncnn1CCF ZINC000242048164 455270299 /nfs/dbraw/zinc/27/02/99/455270299.db2.gz VTKBWWXJRYULKQ-GOEBONIOSA-N 1 2 332.423 3.229 40 0 EGABLO CCOc1cc2c(cc1C[N@H+](C)Cc1[nH]nc3c1CCCC3)OCO2 ZINC000012147135 453347827 /nfs/dbraw/zinc/34/78/27/453347827.db2.gz RLMUWOSSSKIUIE-UHFFFAOYSA-N 1 2 343.427 3.048 40 0 EGABLO CCOc1cc2c(cc1C[N@@H+](C)Cc1[nH]nc3c1CCCC3)OCO2 ZINC000012147135 453347832 /nfs/dbraw/zinc/34/78/32/453347832.db2.gz RLMUWOSSSKIUIE-UHFFFAOYSA-N 1 2 343.427 3.048 40 0 EGABLO CCSc1nnc(NC(=O)Cn2c(CC)[nH+]c3ccccc32)s1 ZINC000012547813 453372984 /nfs/dbraw/zinc/37/29/84/453372984.db2.gz UYHNPXFDGIDDFV-UHFFFAOYSA-N 1 2 347.469 3.201 40 0 EGABLO Cc1nc2cc([C@H]3CC[N@H+](Cc4ccccc4F)C3)[nH]n2c(=O)c1C ZINC000012746447 453397341 /nfs/dbraw/zinc/39/73/41/453397341.db2.gz AJQOACVTBOAOGE-HNNXBMFYSA-N 1 2 340.402 3.180 40 0 EGABLO Cc1nc2cc([C@H]3CC[N@@H+](Cc4ccccc4F)C3)[nH]n2c(=O)c1C ZINC000012746447 453397343 /nfs/dbraw/zinc/39/73/43/453397343.db2.gz AJQOACVTBOAOGE-HNNXBMFYSA-N 1 2 340.402 3.180 40 0 EGABLO O=C(c1cc(F)ccc1F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000028211054 453822740 /nfs/dbraw/zinc/82/27/40/453822740.db2.gz YANOTBJMGUTWOM-QPJJXVBHSA-N 1 2 342.389 3.436 40 0 EGABLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000045584780 454168706 /nfs/dbraw/zinc/16/87/06/454168706.db2.gz ZQDHCPCEJGAPPR-INIZCTEOSA-N 1 2 329.444 3.289 40 0 EGABLO Cc1ccc2[nH+]c(CNC(=O)Cc3c(F)cccc3Cl)cn2c1 ZINC000059888224 454263894 /nfs/dbraw/zinc/26/38/94/454263894.db2.gz JVXUWMDUEDBRNG-UHFFFAOYSA-N 1 2 331.778 3.294 40 0 EGABLO Fc1ccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)cc1 ZINC000096042161 454267533 /nfs/dbraw/zinc/26/75/33/454267533.db2.gz IXVWJAHEDOMSDT-SLFFLAALSA-N 1 2 342.414 3.169 40 0 EGABLO Fc1ccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)cc1 ZINC000096042161 454267538 /nfs/dbraw/zinc/26/75/38/454267538.db2.gz IXVWJAHEDOMSDT-SLFFLAALSA-N 1 2 342.414 3.169 40 0 EGABLO Cn1ncc2c1C[N@H+](Cc1ccccc1F)C[C@@H]2COCC1CC1 ZINC000096044657 454268192 /nfs/dbraw/zinc/26/81/92/454268192.db2.gz NIDLUBNISWSWOR-MRXNPFEDSA-N 1 2 329.419 3.085 40 0 EGABLO Cn1ncc2c1C[N@@H+](Cc1ccccc1F)C[C@@H]2COCC1CC1 ZINC000096044657 454268195 /nfs/dbraw/zinc/26/81/95/454268195.db2.gz NIDLUBNISWSWOR-MRXNPFEDSA-N 1 2 329.419 3.085 40 0 EGABLO Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(Cc1ccc(F)cc1)C2 ZINC000096060238 454276167 /nfs/dbraw/zinc/27/61/67/454276167.db2.gz ZOFRGXRCHJSWAE-INIZCTEOSA-N 1 2 329.419 3.085 40 0 EGABLO Cn1cnc2c1[C@H](COCC1CC1)C[N@H+](Cc1ccc(F)cc1)C2 ZINC000096060238 454276172 /nfs/dbraw/zinc/27/61/72/454276172.db2.gz ZOFRGXRCHJSWAE-INIZCTEOSA-N 1 2 329.419 3.085 40 0 EGABLO Cn1cnc2c1[C@H](COCC1CC1)C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096060238 454276177 /nfs/dbraw/zinc/27/61/77/454276177.db2.gz ZOFRGXRCHJSWAE-INIZCTEOSA-N 1 2 329.419 3.085 40 0 EGABLO c1coc(COCc2ncn3c2C[N@H+](Cc2ccco2)CCC3)c1 ZINC000096059031 454276512 /nfs/dbraw/zinc/27/65/12/454276512.db2.gz NYLRZLHPHPKVGR-UHFFFAOYSA-N 1 2 327.384 3.192 40 0 EGABLO c1coc(COCc2ncn3c2C[N@@H+](Cc2ccco2)CCC3)c1 ZINC000096059031 454276518 /nfs/dbraw/zinc/27/65/18/454276518.db2.gz NYLRZLHPHPKVGR-UHFFFAOYSA-N 1 2 327.384 3.192 40 0 EGABLO COC[C@H]1C[N@H+](Cc2ccoc2)Cc2cn(CC3CCCC3)nc21 ZINC000096059985 454276768 /nfs/dbraw/zinc/27/67/68/454276768.db2.gz JZPUJCDMEHXWID-GOSISDBHSA-N 1 2 329.444 3.412 40 0 EGABLO COC[C@H]1C[N@@H+](Cc2ccoc2)Cc2cn(CC3CCCC3)nc21 ZINC000096059985 454276773 /nfs/dbraw/zinc/27/67/73/454276773.db2.gz JZPUJCDMEHXWID-GOSISDBHSA-N 1 2 329.444 3.412 40 0 EGABLO CCOC[C@@H]1C[N@H+](Cc2ccsc2)Cc2nn(CC3CC3)cc21 ZINC000096060472 454277029 /nfs/dbraw/zinc/27/70/29/454277029.db2.gz FLODZETYOWZNMO-INIZCTEOSA-N 1 2 331.485 3.491 40 0 EGABLO CCOC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2nn(CC3CC3)cc21 ZINC000096060472 454277032 /nfs/dbraw/zinc/27/70/32/454277032.db2.gz FLODZETYOWZNMO-INIZCTEOSA-N 1 2 331.485 3.491 40 0 EGABLO COC[C@H]1C[N@H+](Cc2ccccn2)Cc2cn(CC3CCCC3)nc21 ZINC000096198178 454303044 /nfs/dbraw/zinc/30/30/44/454303044.db2.gz SFTBJAIXMGUXES-GOSISDBHSA-N 1 2 340.471 3.214 40 0 EGABLO COC[C@H]1C[N@@H+](Cc2ccccn2)Cc2cn(CC3CCCC3)nc21 ZINC000096198178 454303046 /nfs/dbraw/zinc/30/30/46/454303046.db2.gz SFTBJAIXMGUXES-GOSISDBHSA-N 1 2 340.471 3.214 40 0 EGABLO CC[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc(F)cc1F ZINC000096415314 454331560 /nfs/dbraw/zinc/33/15/60/454331560.db2.gz WEDPHVYBSRGCCA-MRXNPFEDSA-N 1 2 336.386 3.392 40 0 EGABLO CC(C)(C)c1nnc(C[N@H+](C[C@@H](O)c2ccc(F)cc2)C2CC2)o1 ZINC000096424453 454338470 /nfs/dbraw/zinc/33/84/70/454338470.db2.gz PNEAEBUERCAQOF-OAHLLOKOSA-N 1 2 333.407 3.204 40 0 EGABLO CC(C)(C)c1nnc(C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C2CC2)o1 ZINC000096424453 454338474 /nfs/dbraw/zinc/33/84/74/454338474.db2.gz PNEAEBUERCAQOF-OAHLLOKOSA-N 1 2 333.407 3.204 40 0 EGABLO C[C@@H](NC(=O)[C@H]1COc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432053 454343394 /nfs/dbraw/zinc/34/33/94/454343394.db2.gz NDNZMHWSVNIHFW-KDOFPFPSSA-N 1 2 333.391 3.226 40 0 EGABLO C[C@@H](NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1nccs1 ZINC000096439953 454349598 /nfs/dbraw/zinc/34/95/98/454349598.db2.gz SXZHTJRVEVPRGS-QWHCGFSZSA-N 1 2 341.440 3.450 40 0 EGABLO O=C(CN1CCCCCC1=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000078991597 454351445 /nfs/dbraw/zinc/35/14/45/454351445.db2.gz LEARANYGGUEDNP-UHFFFAOYSA-N 1 2 339.395 3.215 40 0 EGABLO COc1cc(/C=C/C(=O)Nc2cc[nH+]c(C)c2)cc(OC)c1OC ZINC000079001781 454352389 /nfs/dbraw/zinc/35/23/89/454352389.db2.gz DIXIWITWLHCXLQ-AATRIKPKSA-N 1 2 328.368 3.068 40 0 EGABLO CC(C)c1cnc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)o1 ZINC000096492002 454369849 /nfs/dbraw/zinc/36/98/49/454369849.db2.gz DCRCZSOFAGKHMQ-NSHDSACASA-N 1 2 340.420 3.191 40 0 EGABLO Cc1cc(N2CCC(NC(=O)c3cccc(C)c3Cl)CC2)nc[nH+]1 ZINC000097229711 454427108 /nfs/dbraw/zinc/42/71/08/454427108.db2.gz RVVAEBWYMHUCSN-UHFFFAOYSA-N 1 2 344.846 3.146 40 0 EGABLO c1cn(CCOc2ccccc2N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c[nH+]1 ZINC000097376942 454434880 /nfs/dbraw/zinc/43/48/80/454434880.db2.gz JYBKIBVXMYRWRI-LZQZEXGQSA-N 1 2 339.439 3.332 40 0 EGABLO Fc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2COCc1ccccn1 ZINC000247489770 455611180 /nfs/dbraw/zinc/61/11/80/455611180.db2.gz BCFJCDPBGMIWPT-QGZVFWFLSA-N 1 2 342.414 3.028 40 0 EGABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](C[C@@H]4CC=CCC4)C3)[nH]n2c1=O ZINC000247931681 455656388 /nfs/dbraw/zinc/65/63/88/455656388.db2.gz CPSVYTXBEBUPBS-HZPDHXFCSA-N 1 2 340.471 3.451 40 0 EGABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](C[C@@H]4CC=CCC4)C3)[nH]n2c1=O ZINC000247931681 455656392 /nfs/dbraw/zinc/65/63/92/455656392.db2.gz CPSVYTXBEBUPBS-HZPDHXFCSA-N 1 2 340.471 3.451 40 0 EGABLO Cc1ncsc1C[N@H+]1CCC[C@]1(C)c1nc(C)cc(N(C)C)n1 ZINC000257296116 455884977 /nfs/dbraw/zinc/88/49/77/455884977.db2.gz RBIGPMCEYYUMLQ-QGZVFWFLSA-N 1 2 331.489 3.127 40 0 EGABLO Cc1ncsc1C[N@@H+]1CCC[C@]1(C)c1nc(C)cc(N(C)C)n1 ZINC000257296116 455884984 /nfs/dbraw/zinc/88/49/84/455884984.db2.gz RBIGPMCEYYUMLQ-QGZVFWFLSA-N 1 2 331.489 3.127 40 0 EGABLO Cc1ncsc1C[N@H+]1CCC[C@@]1(C)c1nc(C)cc(N(C)C)n1 ZINC000257296115 455885158 /nfs/dbraw/zinc/88/51/58/455885158.db2.gz RBIGPMCEYYUMLQ-KRWDZBQOSA-N 1 2 331.489 3.127 40 0 EGABLO Cc1ncsc1C[N@@H+]1CCC[C@@]1(C)c1nc(C)cc(N(C)C)n1 ZINC000257296115 455885161 /nfs/dbraw/zinc/88/51/61/455885161.db2.gz RBIGPMCEYYUMLQ-KRWDZBQOSA-N 1 2 331.489 3.127 40 0 EGABLO Cc1cc(-c2nccn2C)nc(CC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000257298145 455885398 /nfs/dbraw/zinc/88/53/98/455885398.db2.gz RKKAGOYMHJQXOF-UHFFFAOYSA-N 1 2 348.454 3.040 40 0 EGABLO Cc1ncc(-c2nccnc2C[C@H]2CCCN(c3cccc[nH+]3)C2)n1C ZINC000257312086 455889008 /nfs/dbraw/zinc/88/90/08/455889008.db2.gz UMLJUXOJHRZMHY-MRXNPFEDSA-N 1 2 348.454 3.040 40 0 EGABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)[nH+]1 ZINC000257339838 455896250 /nfs/dbraw/zinc/89/62/50/455896250.db2.gz ZDLFCXHGCUQUGU-MRXNPFEDSA-N 1 2 334.423 3.297 40 0 EGABLO O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000225509384 456089540 /nfs/dbraw/zinc/08/95/40/456089540.db2.gz KLSOOMIVDPJXMN-QGZVFWFLSA-N 1 2 331.419 3.420 40 0 EGABLO O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000225509384 456089544 /nfs/dbraw/zinc/08/95/44/456089544.db2.gz KLSOOMIVDPJXMN-QGZVFWFLSA-N 1 2 331.419 3.420 40 0 EGABLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC000329792052 456940530 /nfs/dbraw/zinc/94/05/30/456940530.db2.gz FDZWUCJLTPHKLP-CYBMUJFWSA-N 1 2 340.452 3.143 40 0 EGABLO Cc1cccc(CO[C@@H]2CCOC3(C[NH+](Cc4ccccc4)C3)C2)n1 ZINC000585105431 459825258 /nfs/dbraw/zinc/82/52/58/459825258.db2.gz WKUFDXAAHARERJ-HXUWFJFHSA-N 1 2 338.451 3.340 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)COc3ccccc3F)C2)cc[nH+]1 ZINC000257339916 522574608 /nfs/dbraw/zinc/57/46/08/522574608.db2.gz ZDSGRRDINLGTFN-HNNXBMFYSA-N 1 2 343.402 3.047 40 0 EGABLO Cc1cc(C)c(-c2cc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)n[nH]2)cc1C ZINC000137777284 546844664 /nfs/dbraw/zinc/84/46/64/546844664.db2.gz FXYCFIAZXNCYLI-HNNXBMFYSA-N 1 2 349.438 3.400 40 0 EGABLO CCc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)o1 ZINC000097953707 219065146 /nfs/dbraw/zinc/06/51/46/219065146.db2.gz HFVABEDUAQQVIN-XUVXKRRUSA-N 1 2 349.471 3.017 40 0 EGABLO CCc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)o1 ZINC000097953707 219065149 /nfs/dbraw/zinc/06/51/49/219065149.db2.gz HFVABEDUAQQVIN-XUVXKRRUSA-N 1 2 349.471 3.017 40 0 EGABLO COc1ccc(C(=O)C[NH+]2CCC(c3nnc(C(C)C)o3)CC2)cc1 ZINC000049377251 214004025 /nfs/dbraw/zinc/00/40/25/214004025.db2.gz HPNDFHHYDMIKKO-UHFFFAOYSA-N 1 2 343.427 3.264 40 0 EGABLO Cc1nc(N2CCC[C@@H](c3ccnc(Nc4ncccn4)c3)C2)cc[nH+]1 ZINC000072369090 216176548 /nfs/dbraw/zinc/17/65/48/216176548.db2.gz VJDNMHHHNOQIDN-MRXNPFEDSA-N 1 2 347.426 3.098 40 0 EGABLO Cn1cc(C[N@@H+]2CCC[C@H]2c2cncc(Oc3ccccc3)n2)cn1 ZINC000072384180 216185631 /nfs/dbraw/zinc/18/56/31/216185631.db2.gz CFJFMHCUYUNLFH-SFHVURJKSA-N 1 2 335.411 3.340 40 0 EGABLO Cn1cc(C[N@H+]2CCC[C@H]2c2cncc(Oc3ccccc3)n2)cn1 ZINC000072384180 216185634 /nfs/dbraw/zinc/18/56/34/216185634.db2.gz CFJFMHCUYUNLFH-SFHVURJKSA-N 1 2 335.411 3.340 40 0 EGABLO Cc1ccc(CNC(=O)[C@H](C)[N@H+](C)Cc2ccc(F)cc2F)cc1 ZINC000022965037 212338865 /nfs/dbraw/zinc/33/88/65/212338865.db2.gz DNIVRWKNYSAPOG-AWEZNQCLSA-N 1 2 332.394 3.410 40 0 EGABLO Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)Cc2ccc(F)cc2F)cc1 ZINC000022965037 212338869 /nfs/dbraw/zinc/33/88/69/212338869.db2.gz DNIVRWKNYSAPOG-AWEZNQCLSA-N 1 2 332.394 3.410 40 0 EGABLO c1csc(C[N@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n1 ZINC000257212259 244152309 /nfs/dbraw/zinc/15/23/09/244152309.db2.gz CCOGPLPZSVKBRC-HKUYNNGSSA-N 1 2 344.480 3.483 40 0 EGABLO c1csc(C[N@@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n1 ZINC000257212259 244152316 /nfs/dbraw/zinc/15/23/16/244152316.db2.gz CCOGPLPZSVKBRC-HKUYNNGSSA-N 1 2 344.480 3.483 40 0 EGABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc4cccc(F)c4[nH]3)C2)[nH+]1 ZINC000257227464 244205244 /nfs/dbraw/zinc/20/52/44/244205244.db2.gz FPKJZCQFTCMCKT-CQSZACIVSA-N 1 2 340.402 3.369 40 0 EGABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2ccsc2)c1 ZINC000257229949 244209619 /nfs/dbraw/zinc/20/96/19/244209619.db2.gz GACQFWOGVHOTPX-INIZCTEOSA-N 1 2 339.420 3.351 40 0 EGABLO CCN(Cc1ccccc1)C(=O)c1cc(C)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000257237388 244232235 /nfs/dbraw/zinc/23/22/35/244232235.db2.gz HGGARWRQNIZSBZ-SFHVURJKSA-N 1 2 338.455 3.214 40 0 EGABLO CCN(Cc1ccccc1)C(=O)c1cc(C)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000257237388 244232241 /nfs/dbraw/zinc/23/22/41/244232241.db2.gz HGGARWRQNIZSBZ-SFHVURJKSA-N 1 2 338.455 3.214 40 0 EGABLO c1c[nH+]c(CN2CCCC[C@H]2c2csc(Nc3cnccn3)n2)[nH]1 ZINC000257238127 244235784 /nfs/dbraw/zinc/23/57/84/244235784.db2.gz HJRNHTOBZZNFPJ-ZDUSSCGKSA-N 1 2 341.444 3.127 40 0 EGABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cc(C4CCCCC4)no3)C2)[nH+]1 ZINC000257241151 244243839 /nfs/dbraw/zinc/24/38/39/244243839.db2.gz HWUQZYUTIKHZRJ-HNNXBMFYSA-N 1 2 342.443 3.394 40 0 EGABLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cn2)cc(N(C)C)n1 ZINC000257247422 244260357 /nfs/dbraw/zinc/26/03/57/244260357.db2.gz IYYVNRBDSFVYTG-MRXNPFEDSA-N 1 2 331.851 3.237 40 0 EGABLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cn2)cc(N(C)C)n1 ZINC000257247422 244260363 /nfs/dbraw/zinc/26/03/63/244260363.db2.gz IYYVNRBDSFVYTG-MRXNPFEDSA-N 1 2 331.851 3.237 40 0 EGABLO CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H](c2[nH+]c(C)cn2C)C1 ZINC000257258483 244290749 /nfs/dbraw/zinc/29/07/49/244290749.db2.gz KUEZSZHXOUEZIG-HNNXBMFYSA-N 1 2 343.475 3.088 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)Cc3ccccc3OC)C2)cc[nH+]1 ZINC000257310896 244489867 /nfs/dbraw/zinc/48/98/67/244489867.db2.gz UHBQRUBVGSEOQK-QGZVFWFLSA-N 1 2 339.439 3.081 40 0 EGABLO Fc1ccccc1C[N@@H+]1CCC[C@@H]1c1nnc(-c2cnccn2)o1 ZINC000019349064 212020145 /nfs/dbraw/zinc/02/01/45/212020145.db2.gz GPNHEPKARYSZMA-OAHLLOKOSA-N 1 2 325.347 3.003 40 0 EGABLO Fc1ccccc1C[N@H+]1CCC[C@@H]1c1nnc(-c2cnccn2)o1 ZINC000019349064 212020151 /nfs/dbraw/zinc/02/01/51/212020151.db2.gz GPNHEPKARYSZMA-OAHLLOKOSA-N 1 2 325.347 3.003 40 0 EGABLO COC(=O)[C@H](CC(C)C)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000078673800 217099491 /nfs/dbraw/zinc/09/94/91/217099491.db2.gz DFWHDEACDLPYAW-KRWDZBQOSA-N 1 2 342.395 3.191 40 0 EGABLO CCc1[nH+]c2cc(NC(=O)c3cnc(C(C)(C)C)nc3)ccc2n1C ZINC000012147379 211308264 /nfs/dbraw/zinc/30/82/64/211308264.db2.gz VMXCECINRXHSBL-UHFFFAOYSA-N 1 2 337.427 3.476 40 0 EGABLO Cc1c(C[N@H+](C)Cc2[nH]nc3c2CCCC3)cnn1Cc1ccccc1 ZINC000012147142 211305842 /nfs/dbraw/zinc/30/58/42/211305842.db2.gz XXIOTFNLCXOTCL-UHFFFAOYSA-N 1 2 349.482 3.474 40 0 EGABLO Cc1c(C[N@@H+](C)Cc2[nH]nc3c2CCCC3)cnn1Cc1ccccc1 ZINC000012147142 211305846 /nfs/dbraw/zinc/30/58/46/211305846.db2.gz XXIOTFNLCXOTCL-UHFFFAOYSA-N 1 2 349.482 3.474 40 0 EGABLO CC[C@@H](NC(=O)NCc1cn2c(cccc2C)[nH+]1)c1c(C)noc1C ZINC000095441277 218385412 /nfs/dbraw/zinc/38/54/12/218385412.db2.gz MZLVEDVXBHWSSF-OAHLLOKOSA-N 1 2 341.415 3.198 40 0 EGABLO CC(=O)c1ccc(OC[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000005587677 210496719 /nfs/dbraw/zinc/49/67/19/210496719.db2.gz XLMIKARJXJFVNQ-KRWDZBQOSA-N 1 2 338.407 3.296 40 0 EGABLO COc1ccc(C[NH2+]C2(c3ccccc3Br)CC2)nn1 ZINC000330033167 258001780 /nfs/dbraw/zinc/00/17/80/258001780.db2.gz WUKYVWDCENUITR-UHFFFAOYSA-N 1 2 334.217 3.027 40 0 EGABLO COc1ccc([C@H]2CN(C(C)=O)CC[N@@H+]2Cc2cccs2)cc1 ZINC000257293073 286378718 /nfs/dbraw/zinc/37/87/18/286378718.db2.gz QNZWJJLISVRCKS-GOSISDBHSA-N 1 2 330.453 3.162 40 0 EGABLO COc1ccc([C@H]2CN(C(C)=O)CC[N@H+]2Cc2cccs2)cc1 ZINC000257293073 286378720 /nfs/dbraw/zinc/37/87/20/286378720.db2.gz QNZWJJLISVRCKS-GOSISDBHSA-N 1 2 330.453 3.162 40 0 EGABLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)o1 ZINC000097373722 323215756 /nfs/dbraw/zinc/21/57/56/323215756.db2.gz LBXCPBZOBSCYLQ-MNOVXSKESA-N 1 2 329.379 3.423 40 0 EGABLO CC1CCN(c2nc(N3CCCCC3)[nH+]c(N3CCCCC3)n2)CC1 ZINC000000290772 452555266 /nfs/dbraw/zinc/55/52/66/452555266.db2.gz LFGIIJAAPULQBU-UHFFFAOYSA-N 1 2 344.507 3.089 40 0 EGABLO CC1CCN(c2nc(N3CCCCC3)nc(N3CCCCC3)[nH+]2)CC1 ZINC000000290772 452555278 /nfs/dbraw/zinc/55/52/78/452555278.db2.gz LFGIIJAAPULQBU-UHFFFAOYSA-N 1 2 344.507 3.089 40 0 EGABLO Cc1ccn2c(c1)[nH+]c(-c1ccc(O)cc1O)c2NC[C@@H]1CCCO1 ZINC000000417370 452583885 /nfs/dbraw/zinc/58/38/85/452583885.db2.gz JTTMQHGPZJXUAK-AWEZNQCLSA-N 1 2 339.395 3.312 40 0 EGABLO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCN(c4ccccn4)CC3)o2)cc1 ZINC000008268218 453184354 /nfs/dbraw/zinc/18/43/54/453184354.db2.gz LKYBTHTZWZJSJQ-INIZCTEOSA-N 1 2 349.438 3.323 40 0 EGABLO CCSc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000015880142 453588286 /nfs/dbraw/zinc/58/82/86/453588286.db2.gz GHTICVVGJMPHMB-UHFFFAOYSA-N 1 2 333.482 3.495 40 0 EGABLO CCSc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000015880142 453588288 /nfs/dbraw/zinc/58/82/88/453588288.db2.gz GHTICVVGJMPHMB-UHFFFAOYSA-N 1 2 333.482 3.495 40 0 EGABLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000017337842 453634475 /nfs/dbraw/zinc/63/44/75/453634475.db2.gz GKVNSIVDBFFHDK-UHFFFAOYSA-N 1 2 339.395 3.255 40 0 EGABLO Cc1ccc(CN2CNC(Nc3nc(C)c4ccccc4n3)=[NH+]C2)cc1 ZINC000020634222 453667154 /nfs/dbraw/zinc/66/71/54/453667154.db2.gz OGJRPITYJMNUHP-UHFFFAOYSA-N 1 2 346.438 3.035 40 0 EGABLO CC[C@H](C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1)c1ccccc1 ZINC000044448692 454102390 /nfs/dbraw/zinc/10/23/90/454102390.db2.gz USHQPCGGEBTICA-SFHVURJKSA-N 1 2 341.455 3.129 40 0 EGABLO c1coc(CN2Cc3[nH+]cn(CC4CC4)c3[C@@H](COCC3CC3)C2)c1 ZINC000096045147 454268043 /nfs/dbraw/zinc/26/80/43/454268043.db2.gz WCJZOICLJDARPZ-QGZVFWFLSA-N 1 2 341.455 3.412 40 0 EGABLO c1coc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)c1 ZINC000096045147 454268046 /nfs/dbraw/zinc/26/80/46/454268046.db2.gz WCJZOICLJDARPZ-QGZVFWFLSA-N 1 2 341.455 3.412 40 0 EGABLO c1coc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)c1 ZINC000096045147 454268050 /nfs/dbraw/zinc/26/80/50/454268050.db2.gz WCJZOICLJDARPZ-QGZVFWFLSA-N 1 2 341.455 3.412 40 0 EGABLO C[N@@H+]1CCN(C(=O)CCC(=O)c2cccs2)[C@@H](c2ccccc2)C1 ZINC000046763152 454282162 /nfs/dbraw/zinc/28/21/62/454282162.db2.gz RSAHGNNXZRBNDQ-MRXNPFEDSA-N 1 2 342.464 3.226 40 0 EGABLO C[N@H+]1CCN(C(=O)CCC(=O)c2cccs2)[C@@H](c2ccccc2)C1 ZINC000046763152 454282168 /nfs/dbraw/zinc/28/21/68/454282168.db2.gz RSAHGNNXZRBNDQ-MRXNPFEDSA-N 1 2 342.464 3.226 40 0 EGABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(c3ncccn3)C2)n1 ZINC000072379212 454293834 /nfs/dbraw/zinc/29/38/34/454293834.db2.gz WIGQHKBBZCPWJW-HNNXBMFYSA-N 1 2 334.427 3.004 40 0 EGABLO CC[C@H](C(=O)N1CCC(Nc2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC000096429342 454341466 /nfs/dbraw/zinc/34/14/66/454341466.db2.gz QPMFAETXBAJJAY-SFHVURJKSA-N 1 2 338.455 3.382 40 0 EGABLO Cc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1C(=O)N(C)C ZINC000096482928 454364729 /nfs/dbraw/zinc/36/47/29/454364729.db2.gz MNPVPFVHIQWOQR-UHFFFAOYSA-N 1 2 334.423 3.495 40 0 EGABLO COc1ccc(C(F)(F)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000096484896 454366591 /nfs/dbraw/zinc/36/65/91/454366591.db2.gz PIEKXCFCHNRBIX-CZUORRHYSA-N 1 2 349.381 3.093 40 0 EGABLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000097233871 454428943 /nfs/dbraw/zinc/42/89/43/454428943.db2.gz SEQQJUWCRNUFSG-ACJLOTCBSA-N 1 2 348.878 3.096 40 0 EGABLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)C2CCOCC2)CC1 ZINC000093022422 454672351 /nfs/dbraw/zinc/67/23/51/454672351.db2.gz OHLFHMFPRFBWJF-UHFFFAOYSA-N 1 2 341.455 3.189 40 0 EGABLO CCNc1ccc(Cl)cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000192208504 455573666 /nfs/dbraw/zinc/57/36/66/455573666.db2.gz CNJZHUOCNVWZRC-UHFFFAOYSA-N 1 2 332.835 3.446 40 0 EGABLO Fc1cccnc1O[C@@H]1CCOC2(C[NH+](Cc3ccccc3)C2)C1 ZINC000247510692 455615841 /nfs/dbraw/zinc/61/58/41/455615841.db2.gz IIPPJZDFKMNDTE-MRXNPFEDSA-N 1 2 328.387 3.033 40 0 EGABLO CN(C)c1noc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)n1 ZINC000192784081 455692797 /nfs/dbraw/zinc/69/27/97/455692797.db2.gz LLMQFEZCEXVSJQ-QGZVFWFLSA-N 1 2 340.402 3.348 40 0 EGABLO CCc1nnc([C@H]2C[N@H+](CCSC3CCCCC3)CCO2)o1 ZINC000252489438 455811805 /nfs/dbraw/zinc/81/18/05/455811805.db2.gz JRCKMPUAQBCCJF-CQSZACIVSA-N 1 2 325.478 3.071 40 0 EGABLO CCc1nnc([C@H]2C[N@@H+](CCSC3CCCCC3)CCO2)o1 ZINC000252489438 455811810 /nfs/dbraw/zinc/81/18/10/455811810.db2.gz JRCKMPUAQBCCJF-CQSZACIVSA-N 1 2 325.478 3.071 40 0 EGABLO C[C@@H]1C[C@H](c2cccnc2)N(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000252536499 455820060 /nfs/dbraw/zinc/82/00/60/455820060.db2.gz ISEKRDJEQPBGAK-GDBMZVCRSA-N 1 2 341.484 3.012 40 0 EGABLO C[C@@H]1C[C@H](c2cccnc2)N(c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000252536499 455820064 /nfs/dbraw/zinc/82/00/64/455820064.db2.gz ISEKRDJEQPBGAK-GDBMZVCRSA-N 1 2 341.484 3.012 40 0 EGABLO c1cn(CCOc2ccccc2N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c[nH+]1 ZINC000253369924 455835363 /nfs/dbraw/zinc/83/53/63/455835363.db2.gz JYBKIBVXMYRWRI-KFKAGJAMSA-N 1 2 339.439 3.332 40 0 EGABLO Cc1cc([C@@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)nc(C)n1 ZINC000257300121 455886494 /nfs/dbraw/zinc/88/64/94/455886494.db2.gz RSYZFSIRXBPCEP-FQEVSTJZSA-N 1 2 334.423 3.215 40 0 EGABLO Cc1cc([C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)nc(C)n1 ZINC000257300121 455886497 /nfs/dbraw/zinc/88/64/97/455886497.db2.gz RSYZFSIRXBPCEP-FQEVSTJZSA-N 1 2 334.423 3.215 40 0 EGABLO CNc1cc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2)cc[nH+]1 ZINC000257307746 455887459 /nfs/dbraw/zinc/88/74/59/455887459.db2.gz TTXLKADWYJSMNX-INIZCTEOSA-N 1 2 329.375 3.005 40 0 EGABLO O=C(C[NH+]1CCC(c2cncc(Cl)n2)CC1)Nc1ccccc1F ZINC000257322784 455891535 /nfs/dbraw/zinc/89/15/35/455891535.db2.gz WHJSBALAUZHDES-UHFFFAOYSA-N 1 2 348.809 3.087 40 0 EGABLO Cc1cc(CNC(=O)Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)on1 ZINC000272637628 456021722 /nfs/dbraw/zinc/02/17/22/456021722.db2.gz CRUPRXKMBRYKFV-AWEZNQCLSA-N 1 2 343.431 3.387 40 0 EGABLO CN(C)c1nc(N(C)C)c(NC(=O)c2ccc3ccccc3c2)c[nH+]1 ZINC000224349321 456065395 /nfs/dbraw/zinc/06/53/95/456065395.db2.gz GBOPOSPZBYDZGP-UHFFFAOYSA-N 1 2 335.411 3.014 40 0 EGABLO Cc1cccc(C(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)c1 ZINC000224354656 456066289 /nfs/dbraw/zinc/06/62/89/456066289.db2.gz GWMWXPITZXNOFR-UHFFFAOYSA-N 1 2 339.443 3.094 40 0 EGABLO O=C(OCc1ccc(-n2cc[nH+]c2)nc1)c1cccnc1C(F)(F)F ZINC000225562078 456093556 /nfs/dbraw/zinc/09/35/56/456093556.db2.gz MKWHNRRIPGUSJW-UHFFFAOYSA-N 1 2 348.284 3.038 40 0 EGABLO CC[C@H](C)c1ccc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000332079089 457299373 /nfs/dbraw/zinc/29/93/73/457299373.db2.gz HYVBYBUSIGRNOL-GOEBONIOSA-N 1 2 347.484 3.112 40 0 EGABLO C/C(=C\c1ccc(F)cc1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000585139985 459829223 /nfs/dbraw/zinc/82/92/23/459829223.db2.gz FVQXGTOAIFAYBG-SDNWHVSQSA-N 1 2 336.370 3.126 40 0 EGABLO Cc1cccc(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCSCC2)c1 ZINC000245039107 524341991 /nfs/dbraw/zinc/34/19/91/524341991.db2.gz OFNBMMZVGGPFQE-KRWDZBQOSA-N 1 2 344.480 3.037 40 0 EGABLO C[C@@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1cscc1C(F)F ZINC000903634078 1317714593 /nfs/dbraw/zinc/71/45/93/1317714593.db2.gz UTGKLZLWKFGRSE-MRVPVSSYSA-N 1 2 330.381 3.221 40 0 EGABLO Cc1sc2c([C@H]3CCCN(c4cnccn4)C3)[nH+]c(C)n2c1C ZINC000072368895 216176062 /nfs/dbraw/zinc/17/60/62/216176062.db2.gz NJLGOTRHLTYXTJ-AWEZNQCLSA-N 1 2 327.457 3.495 40 0 EGABLO COc1ccccc1[C@@H](Nc1cncc(SC)n1)c1[nH+]ccn1C ZINC000131230292 223215141 /nfs/dbraw/zinc/21/51/41/223215141.db2.gz GUBRHUBVBGCYIA-MRXNPFEDSA-N 1 2 341.440 3.142 40 0 EGABLO CCc1noc(CN(C)C(=O)c2ccc(Oc3cc[nH+]cc3)cc2)n1 ZINC000072573804 216277676 /nfs/dbraw/zinc/27/76/76/216277676.db2.gz GEZAQZDXJSOYDL-UHFFFAOYSA-N 1 2 338.367 3.092 40 0 EGABLO Cc1nc(C(C)(C)[NH2+]Cc2cc(=O)n3cccc(C)c3n2)sc1C ZINC000072866471 216322933 /nfs/dbraw/zinc/32/29/33/216322933.db2.gz CVXNRTLSHFJWRG-UHFFFAOYSA-N 1 2 342.468 3.101 40 0 EGABLO Cn1nnc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)n1 ZINC000193476103 240178559 /nfs/dbraw/zinc/17/85/59/240178559.db2.gz UUPNCNPKISWRCV-CYBMUJFWSA-N 1 2 327.354 3.106 40 0 EGABLO S=C(NCc1nc(-c2ccc(Cl)cc2)no1)Nc1cc[nH+]cc1 ZINC000225821577 242052616 /nfs/dbraw/zinc/05/26/16/242052616.db2.gz CLVDYRZXOYIICJ-UHFFFAOYSA-N 1 2 345.815 3.272 40 0 EGABLO Cc1nc(N2CCC[C@H](c3nnc4ccccn43)C2)c2c([nH+]1)CCCC2 ZINC000242263352 243014587 /nfs/dbraw/zinc/01/45/87/243014587.db2.gz XYIFVAWYCVPORU-HNNXBMFYSA-N 1 2 348.454 3.091 40 0 EGABLO O=C(NCCc1cccc2[nH]ccc21)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000253398372 243903471 /nfs/dbraw/zinc/90/34/71/243903471.db2.gz SVFBROQIXOBDKU-QGZVFWFLSA-N 1 2 337.427 3.370 40 0 EGABLO c1nc(C[N@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cs1 ZINC000257204657 244130575 /nfs/dbraw/zinc/13/05/75/244130575.db2.gz AVUFSZZAGAHJQZ-ROUUACIJSA-N 1 2 330.453 3.093 40 0 EGABLO c1nc(C[N@@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cs1 ZINC000257204657 244130581 /nfs/dbraw/zinc/13/05/81/244130581.db2.gz AVUFSZZAGAHJQZ-ROUUACIJSA-N 1 2 330.453 3.093 40 0 EGABLO Cc1cc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)nc(C)n1 ZINC000257220636 244180083 /nfs/dbraw/zinc/18/00/83/244180083.db2.gz DLNZMBJIYRDOCV-LJQANCHMSA-N 1 2 349.438 3.057 40 0 EGABLO Cc1cc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)nc(C)n1 ZINC000257220636 244180093 /nfs/dbraw/zinc/18/00/93/244180093.db2.gz DLNZMBJIYRDOCV-LJQANCHMSA-N 1 2 349.438 3.057 40 0 EGABLO O=C(c1ccc2c(c1)OCO2)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257258182 244286794 /nfs/dbraw/zinc/28/67/94/244286794.db2.gz KSSGKCMPVCCZKO-INIZCTEOSA-N 1 2 347.374 3.009 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)cc[nH+]1 ZINC000257270933 244377516 /nfs/dbraw/zinc/37/75/16/244377516.db2.gz MWFWTADZELRZEZ-CQSZACIVSA-N 1 2 341.459 3.164 40 0 EGABLO Cc1cc(C[N@@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)no1 ZINC000257275794 244391636 /nfs/dbraw/zinc/39/16/36/244391636.db2.gz NQXHZDFDWGOYDP-PMACEKPBSA-N 1 2 342.439 3.323 40 0 EGABLO Cc1cc(C[N@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)no1 ZINC000257275794 244391643 /nfs/dbraw/zinc/39/16/43/244391643.db2.gz NQXHZDFDWGOYDP-PMACEKPBSA-N 1 2 342.439 3.323 40 0 EGABLO Cc1nn(C)c(Cl)c1C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(C3CC3)ncc12 ZINC000019577884 212045306 /nfs/dbraw/zinc/04/53/06/212045306.db2.gz SEGFDOPLJWYZPT-BLLLJJGKSA-N 1 2 343.862 3.311 40 0 EGABLO Cc1nn(C)c(Cl)c1C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(C3CC3)ncc12 ZINC000019577884 212045309 /nfs/dbraw/zinc/04/53/09/212045309.db2.gz SEGFDOPLJWYZPT-BLLLJJGKSA-N 1 2 343.862 3.311 40 0 EGABLO Cc1nc([C@@H](Cc2ccsc2)NC(=O)Cn2cc[nH+]c2)sc1C ZINC000019559795 212042297 /nfs/dbraw/zinc/04/22/97/212042297.db2.gz JXAUJWWUFKCJDM-CQSZACIVSA-N 1 2 346.481 3.118 40 0 EGABLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1nccs1 ZINC000078602451 217083810 /nfs/dbraw/zinc/08/38/10/217083810.db2.gz QLDVQTZPDPUGJM-ZDUSSCGKSA-N 1 2 345.472 3.089 40 0 EGABLO CCOc1nnc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)s1 ZINC000078776774 217120044 /nfs/dbraw/zinc/12/00/44/217120044.db2.gz YBLGUFXOGZSCTO-GFCCVEGCSA-N 1 2 343.456 3.193 40 0 EGABLO CCOc1nnc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)s1 ZINC000078776774 217120049 /nfs/dbraw/zinc/12/00/49/217120049.db2.gz YBLGUFXOGZSCTO-GFCCVEGCSA-N 1 2 343.456 3.193 40 0 EGABLO Cc1ccc2[nH+]c(-c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)cn2c1 ZINC000012088202 211289879 /nfs/dbraw/zinc/28/98/79/211289879.db2.gz JGIGSKKQZOOIEG-CYBMUJFWSA-N 1 2 341.436 3.020 40 0 EGABLO C[C@H]1CCN(C(=O)Nc2cccc(OCCF)c2)C[C@H]1n1cc[nH+]c1 ZINC000123150439 222225774 /nfs/dbraw/zinc/22/57/74/222225774.db2.gz IRKHFQURCCYDAG-WMLDXEAASA-N 1 2 346.406 3.346 40 0 EGABLO CCN(C(=O)NCc1[nH+]cc(C)c(OC)c1C)[C@@H](C)c1cccnc1 ZINC000096406833 276062550 /nfs/dbraw/zinc/06/25/50/276062550.db2.gz QKRPSSCPYYNZPY-HNNXBMFYSA-N 1 2 342.443 3.395 40 0 EGABLO CN(C)[C@@H](C[C@H](C(=O)c1ccccc1)[NH+](C)C)C(=O)c1ccccc1 ZINC000026532559 289366550 /nfs/dbraw/zinc/36/65/50/289366550.db2.gz VBJLWFXZQRWVRV-KDURUIRLSA-N 1 2 338.451 3.003 40 0 EGABLO CN(C)[C@H](C[C@@H](C(=O)c1ccccc1)[NH+](C)C)C(=O)c1ccccc1 ZINC000026532559 289366553 /nfs/dbraw/zinc/36/65/53/289366553.db2.gz VBJLWFXZQRWVRV-KDURUIRLSA-N 1 2 338.451 3.003 40 0 EGABLO CC(=O)c1ccccc1OC[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000000810213 452636727 /nfs/dbraw/zinc/63/67/27/452636727.db2.gz OADIHEMUOPSZJV-INIZCTEOSA-N 1 2 338.407 3.296 40 0 EGABLO Nc1nc(N)c2cc([S@@](=O)c3ccc4ccccc4c3)ccc2[nH+]1 ZINC000005386242 452865855 /nfs/dbraw/zinc/86/58/55/452865855.db2.gz QSWGIUCUSOBPPC-XMMPIXPASA-N 1 2 334.404 3.114 40 0 EGABLO CCSc1ccccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000015880136 453588209 /nfs/dbraw/zinc/58/82/09/453588209.db2.gz DPRXHYQDBCSLGN-UHFFFAOYSA-N 1 2 333.482 3.495 40 0 EGABLO CCSc1ccccc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000015880136 453588216 /nfs/dbraw/zinc/58/82/16/453588216.db2.gz DPRXHYQDBCSLGN-UHFFFAOYSA-N 1 2 333.482 3.495 40 0 EGABLO S=C(Nc1ccccc1Cl)N1CC[NH+](Cc2ccccn2)CC1 ZINC000016704498 453620311 /nfs/dbraw/zinc/62/03/11/453620311.db2.gz RPXPGUKBIFSFPB-UHFFFAOYSA-N 1 2 346.887 3.250 40 0 EGABLO Cc1csc2c([C@@H]3CCCN(C(=O)c4ccccn4)C3)[nH+]c(C)n12 ZINC000019240439 453655118 /nfs/dbraw/zinc/65/51/18/453655118.db2.gz WFWAJPZXPQSSPV-CQSZACIVSA-N 1 2 340.452 3.427 40 0 EGABLO CCOc1cccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000030861681 453840146 /nfs/dbraw/zinc/84/01/46/453840146.db2.gz KDGVLMYQONOELI-UHFFFAOYSA-N 1 2 340.423 3.170 40 0 EGABLO COc1ccc(CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000030946189 453842289 /nfs/dbraw/zinc/84/22/89/453842289.db2.gz GXMYYTUJABNZTC-UHFFFAOYSA-N 1 2 335.407 3.212 40 0 EGABLO Brc1cnc(Nc2ccc(N3CCCCC3)[nH+]c2)nc1 ZINC000067348992 453923611 /nfs/dbraw/zinc/92/36/11/453923611.db2.gz DLSMERZCNDGNLS-UHFFFAOYSA-N 1 2 334.221 3.368 40 0 EGABLO CC(C)n1nccc1NC(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000044888927 454123837 /nfs/dbraw/zinc/12/38/37/454123837.db2.gz HUHYTBFYASRRTM-UHFFFAOYSA-N 1 2 326.853 3.249 40 0 EGABLO CC(C)n1nccc1NC(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000044888927 454123842 /nfs/dbraw/zinc/12/38/42/454123842.db2.gz HUHYTBFYASRRTM-UHFFFAOYSA-N 1 2 326.853 3.249 40 0 EGABLO CCOC(=O)c1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000044911532 454126568 /nfs/dbraw/zinc/12/65/68/454126568.db2.gz CHYIFRUWKQYUBI-UHFFFAOYSA-N 1 2 349.390 3.360 40 0 EGABLO COc1ccc([C@H]([NH3+])c2nnc(-c3cccc(Cl)c3)[nH]2)cc1OC ZINC000095533804 454230589 /nfs/dbraw/zinc/23/05/89/454230589.db2.gz ONKSNUCTUBEOGT-HNNXBMFYSA-N 1 2 344.802 3.190 40 0 EGABLO COC[C@@H]1CN(Cc2ccccc2F)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045096 454267958 /nfs/dbraw/zinc/26/79/58/454267958.db2.gz BFKYDMWJFCDDIB-INIZCTEOSA-N 1 2 329.419 3.178 40 0 EGABLO COC[C@@H]1C[N@H+](Cc2ccccc2F)Cc2ncn(CC3CC3)c21 ZINC000096045096 454267963 /nfs/dbraw/zinc/26/79/63/454267963.db2.gz BFKYDMWJFCDDIB-INIZCTEOSA-N 1 2 329.419 3.178 40 0 EGABLO COC[C@@H]1C[N@@H+](Cc2ccccc2F)Cc2ncn(CC3CC3)c21 ZINC000096045096 454267967 /nfs/dbraw/zinc/26/79/67/454267967.db2.gz BFKYDMWJFCDDIB-INIZCTEOSA-N 1 2 329.419 3.178 40 0 EGABLO CCn1cc2c(n1)C[N@@H+](Cc1ccc(C)o1)C[C@@H]2COCC1CC1 ZINC000096060426 454276062 /nfs/dbraw/zinc/27/60/62/454276062.db2.gz MVHSCQULNUNIMN-MRXNPFEDSA-N 1 2 329.444 3.330 40 0 EGABLO CCn1cc2c(n1)C[N@H+](Cc1ccc(C)o1)C[C@@H]2COCC1CC1 ZINC000096060426 454276067 /nfs/dbraw/zinc/27/60/67/454276067.db2.gz MVHSCQULNUNIMN-MRXNPFEDSA-N 1 2 329.444 3.330 40 0 EGABLO Cc1nnc2n1CCC[C@H]2[NH2+]Cc1cc(F)ccc1Br ZINC000090188600 454291788 /nfs/dbraw/zinc/29/17/88/454291788.db2.gz VFZMHTJTAFQZOX-CYBMUJFWSA-N 1 2 339.212 3.113 40 0 EGABLO COC[C@@H]1c2c(cnn2CC2CC2)CC[N@H+]1Cc1ccc(OC)cc1 ZINC000096197857 454301756 /nfs/dbraw/zinc/30/17/56/454301756.db2.gz BKPZEDONRSDWAR-LJQANCHMSA-N 1 2 341.455 3.048 40 0 EGABLO COC[C@@H]1c2c(cnn2CC2CC2)CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000096197857 454301758 /nfs/dbraw/zinc/30/17/58/454301758.db2.gz BKPZEDONRSDWAR-LJQANCHMSA-N 1 2 341.455 3.048 40 0 EGABLO O=C(NCCSC1CCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060627034 454307455 /nfs/dbraw/zinc/30/74/55/454307455.db2.gz WKRGZUSCXJUKEE-UHFFFAOYSA-N 1 2 329.469 3.337 40 0 EGABLO CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CCN(Cc1ccco1)C2 ZINC000096254158 454313524 /nfs/dbraw/zinc/31/35/24/454313524.db2.gz NYYBZZNEKZDUKD-UHFFFAOYSA-N 1 2 327.432 3.023 40 0 EGABLO Cc1ccc(N2CCCC2)c(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000096408402 454326414 /nfs/dbraw/zinc/32/64/14/454326414.db2.gz GBLWQHJFCMXQSX-UHFFFAOYSA-N 1 2 338.455 3.269 40 0 EGABLO CCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(SC)s2)C12CCCC2 ZINC000096419756 454335117 /nfs/dbraw/zinc/33/51/17/454335117.db2.gz XXGOUAYPXUHURK-RYUDHWBXSA-N 1 2 327.519 3.430 40 0 EGABLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(SC)s2)C12CCCC2 ZINC000096419756 454335121 /nfs/dbraw/zinc/33/51/21/454335121.db2.gz XXGOUAYPXUHURK-RYUDHWBXSA-N 1 2 327.519 3.430 40 0 EGABLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nnc(SC)s2)C12CCCC2 ZINC000096419757 454335385 /nfs/dbraw/zinc/33/53/85/454335385.db2.gz XXGOUAYPXUHURK-VXGBXAGGSA-N 1 2 327.519 3.430 40 0 EGABLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(SC)s2)C12CCCC2 ZINC000096419757 454335389 /nfs/dbraw/zinc/33/53/89/454335389.db2.gz XXGOUAYPXUHURK-VXGBXAGGSA-N 1 2 327.519 3.430 40 0 EGABLO CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1C[C@H]1c1ccccc1 ZINC000096440102 454349282 /nfs/dbraw/zinc/34/92/82/454349282.db2.gz QFJSFQANYOPGMQ-SJORKVTESA-N 1 2 326.444 3.142 40 0 EGABLO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000096447986 454354462 /nfs/dbraw/zinc/35/44/62/454354462.db2.gz RMJOUQSGJVOVEZ-CYBMUJFWSA-N 1 2 344.459 3.256 40 0 EGABLO Cc1cnc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)o1 ZINC000096491763 454368263 /nfs/dbraw/zinc/36/82/63/454368263.db2.gz BCFJNOJOOSIIQB-AWEZNQCLSA-N 1 2 336.395 3.481 40 0 EGABLO CCn1cc[nH+]c1-c1cccc(NC(=O)c2cc(C(=O)OC)co2)c1 ZINC000097376329 454434622 /nfs/dbraw/zinc/43/46/22/454434622.db2.gz QXEROTGJGOFXJO-UHFFFAOYSA-N 1 2 339.351 3.202 40 0 EGABLO Cc1ccoc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000126905126 454925349 /nfs/dbraw/zinc/92/53/49/454925349.db2.gz WZLNHYWQVHQCNZ-JKSUJKDBSA-N 1 2 348.830 3.043 40 0 EGABLO Cc1ccoc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000126905126 454925353 /nfs/dbraw/zinc/92/53/53/454925353.db2.gz WZLNHYWQVHQCNZ-JKSUJKDBSA-N 1 2 348.830 3.043 40 0 EGABLO COCc1noc([C@@H](C)[NH+]2CCC(Nc3cccc(C)c3)CC2)n1 ZINC000182186218 455455789 /nfs/dbraw/zinc/45/57/89/455455789.db2.gz YNFIMSIUNABZFY-CQSZACIVSA-N 1 2 330.432 3.162 40 0 EGABLO Cc1cncc(CO[C@@H]2CCOC3(C[NH+](Cc4cccs4)C3)C2)c1 ZINC000247949608 455659014 /nfs/dbraw/zinc/65/90/14/455659014.db2.gz XRHHRLZRAKBSHT-QGZVFWFLSA-N 1 2 344.480 3.402 40 0 EGABLO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(Br)o1 ZINC000193015894 455735143 /nfs/dbraw/zinc/73/51/43/455735143.db2.gz ZZAPSQGSXFGFGE-WPRPVWTQSA-N 1 2 325.210 3.128 40 0 EGABLO C[C@@H]1CCN(C(=O)NCC2CCC(F)(F)CC2)C[C@H]1n1cc[nH+]c1 ZINC000253398003 455839107 /nfs/dbraw/zinc/83/91/07/455839107.db2.gz JONNTNPZRJQGOD-UKRRQHHQSA-N 1 2 340.418 3.301 40 0 EGABLO CCCCc1[nH]c(CN2CCN(C(C)=O)[C@H](c3ccccc3)C2)c[nH+]1 ZINC000257278835 455881803 /nfs/dbraw/zinc/88/18/03/455881803.db2.gz ODVUWYBPLXQILD-IBGZPJMESA-N 1 2 340.471 3.158 40 0 EGABLO CCCCc1[nH]cc(CN2CCN(C(C)=O)[C@H](c3ccccc3)C2)[nH+]1 ZINC000257278835 455881809 /nfs/dbraw/zinc/88/18/09/455881809.db2.gz ODVUWYBPLXQILD-IBGZPJMESA-N 1 2 340.471 3.158 40 0 EGABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1Cc1cncs1 ZINC000257308594 455887426 /nfs/dbraw/zinc/88/74/26/455887426.db2.gz TXHUDMRSGWVPID-OAHLLOKOSA-N 1 2 326.425 3.105 40 0 EGABLO c1[nH]c(CN2CCCC[C@H]2c2csc(Nc3cnccn3)n2)c[nH+]1 ZINC000257331590 455893157 /nfs/dbraw/zinc/89/31/57/455893157.db2.gz XTNHDBVLZVEHMQ-AWEZNQCLSA-N 1 2 341.444 3.127 40 0 EGABLO c1[nH]cc(CN2CCCC[C@H]2c2csc(Nc3cnccn3)n2)[nH+]1 ZINC000257331590 455893160 /nfs/dbraw/zinc/89/31/60/455893160.db2.gz XTNHDBVLZVEHMQ-AWEZNQCLSA-N 1 2 341.444 3.127 40 0 EGABLO Cc1ccc(C(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)cc1C ZINC000224351048 456065050 /nfs/dbraw/zinc/06/50/50/456065050.db2.gz XUNSQAXACVYCCN-UHFFFAOYSA-N 1 2 339.443 3.012 40 0 EGABLO Cc1cc(C)cc(C(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)c1 ZINC000224353064 456066559 /nfs/dbraw/zinc/06/65/59/456066559.db2.gz YXFMEQLIAJGJOU-UHFFFAOYSA-N 1 2 339.443 3.012 40 0 EGABLO Clc1ccc(N2CC[C@@H](Nc3cc(N4CCCC4)nc[nH+]3)C2)cc1 ZINC000302829210 456413318 /nfs/dbraw/zinc/41/33/18/456413318.db2.gz JOAHRVGKGQDDRF-OAHLLOKOSA-N 1 2 343.862 3.421 40 0 EGABLO Clc1ccc(N2CC[C@@H](Nc3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000302829210 456413322 /nfs/dbraw/zinc/41/33/22/456413322.db2.gz JOAHRVGKGQDDRF-OAHLLOKOSA-N 1 2 343.862 3.421 40 0 EGABLO Cc1ccc(CNC(=O)c2nc([C@H]3CCC[N@H+]3C)n3ccccc23)cc1 ZINC000306137900 456567771 /nfs/dbraw/zinc/56/77/71/456567771.db2.gz RJROMCOZXUAFOQ-GOSISDBHSA-N 1 2 348.450 3.339 40 0 EGABLO Cc1ccc(CNC(=O)c2nc([C@H]3CCC[N@@H+]3C)n3ccccc23)cc1 ZINC000306137900 456567776 /nfs/dbraw/zinc/56/77/76/456567776.db2.gz RJROMCOZXUAFOQ-GOSISDBHSA-N 1 2 348.450 3.339 40 0 EGABLO CC[C@@H]1CC[C@@H](C(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)O1 ZINC000585141575 459830128 /nfs/dbraw/zinc/83/01/28/459830128.db2.gz VVJUQJYGGQKHNM-PMPSAXMXSA-N 1 2 331.391 3.054 40 0 EGABLO CC(=O)N1CCC[C@@H](c2cccc(-c3c[nH+]c4ccc(C)cn43)n2)C1 ZINC000585262764 459831449 /nfs/dbraw/zinc/83/14/49/459831449.db2.gz CYUZTGKPZIDIBR-MRXNPFEDSA-N 1 2 334.423 3.431 40 0 EGABLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1C[C@H]1c1ccccc1 ZINC000066317649 215033004 /nfs/dbraw/zinc/03/30/04/215033004.db2.gz UFYZDMJVNRAFRX-PMACEKPBSA-N 1 2 331.419 3.351 40 0 EGABLO Cc1cccc(C[N@H+](Cn2nc(C(C)(C)C)ccc2=O)C2CC2)c1 ZINC000066793118 215079454 /nfs/dbraw/zinc/07/94/54/215079454.db2.gz XIXLVXPQUYSNKO-UHFFFAOYSA-N 1 2 325.456 3.471 40 0 EGABLO Cc1cccc(C[N@@H+](Cn2nc(C(C)(C)C)ccc2=O)C2CC2)c1 ZINC000066793118 215079455 /nfs/dbraw/zinc/07/94/55/215079455.db2.gz XIXLVXPQUYSNKO-UHFFFAOYSA-N 1 2 325.456 3.471 40 0 EGABLO Cn1cc[nH+]c1[C@H](NC(=O)CCOc1ccccc1)c1ccccc1 ZINC000023774063 212394298 /nfs/dbraw/zinc/39/42/98/212394298.db2.gz WAJMEJJQZZPSLT-LJQANCHMSA-N 1 2 335.407 3.095 40 0 EGABLO Fc1ccc(F)c(C[NH+]2CC3(C2)CO[C@@H](Cc2cccnc2)C3)c1 ZINC000257209192 244143444 /nfs/dbraw/zinc/14/34/44/244143444.db2.gz BPINKFXWTWGDDW-KRWDZBQOSA-N 1 2 330.378 3.193 40 0 EGABLO Cc1[nH+]c([C@@]2(C)CCCN(c3cc(C)ncn3)C2)c2sccn12 ZINC000257211206 244149698 /nfs/dbraw/zinc/14/96/98/244149698.db2.gz BXXDSZSOYHMNNE-KRWDZBQOSA-N 1 2 327.457 3.361 40 0 EGABLO Cc1ccc(CC(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)s1 ZINC000257210591 244150630 /nfs/dbraw/zinc/15/06/30/244150630.db2.gz BVHGXXFFZJKPMZ-INIZCTEOSA-N 1 2 329.469 3.424 40 0 EGABLO Cc1cc(N2CCC(c3ccnc(Nc4ncccn4)c3)CC2)nc[nH+]1 ZINC000257226137 244201906 /nfs/dbraw/zinc/20/19/06/244201906.db2.gz FJGSETGUOGMHCV-UHFFFAOYSA-N 1 2 347.426 3.098 40 0 EGABLO Cc1cccc2nc(C(=O)N3CCC[C@H]3c3cc[nH+]c(N(C)C)c3)cn21 ZINC000257219975 244180053 /nfs/dbraw/zinc/18/00/53/244180053.db2.gz DJAPAZGQYMHZCF-KRWDZBQOSA-N 1 2 349.438 3.081 40 0 EGABLO Cc1cn(C)c([C@H]2CCN(C(=O)CCc3ccc(Cl)cc3)C2)[nH+]1 ZINC000257240277 244241530 /nfs/dbraw/zinc/24/15/30/244241530.db2.gz HSVLWTXEIPGDCF-HNNXBMFYSA-N 1 2 331.847 3.331 40 0 EGABLO c1cc(C[N@H+]2CCO[C@H](c3nc(-c4ccccc4)no3)C2)cs1 ZINC000019374379 212024807 /nfs/dbraw/zinc/02/48/07/212024807.db2.gz MXPJJCQXNHIGQH-HNNXBMFYSA-N 1 2 327.409 3.372 40 0 EGABLO c1cc(C[N@@H+]2CCO[C@H](c3nc(-c4ccccc4)no3)C2)cs1 ZINC000019374379 212024802 /nfs/dbraw/zinc/02/48/02/212024802.db2.gz MXPJJCQXNHIGQH-HNNXBMFYSA-N 1 2 327.409 3.372 40 0 EGABLO CSc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)o1 ZINC000078996113 217168310 /nfs/dbraw/zinc/16/83/10/217168310.db2.gz FIBIBPQJOALDOV-HNNXBMFYSA-N 1 2 345.399 3.394 40 0 EGABLO Cc1c[nH+]ccc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000079029289 217178028 /nfs/dbraw/zinc/17/80/28/217178028.db2.gz BCEALOVPOGMZFX-UHFFFAOYSA-N 1 2 332.303 3.089 40 0 EGABLO Cc1ccc2[nH+]c(-c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)cn2c1 ZINC000012088203 211289423 /nfs/dbraw/zinc/28/94/23/211289423.db2.gz JGIGSKKQZOOIEG-ZDUSSCGKSA-N 1 2 341.436 3.020 40 0 EGABLO Cc1onc(-c2ccccc2)c1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000011534341 211220470 /nfs/dbraw/zinc/22/04/70/211220470.db2.gz PRSQQFCFCDXAPX-UHFFFAOYSA-N 1 2 346.390 3.270 40 0 EGABLO Clc1ccc2c(c1)N[C@@H](c1cccc3nccnc31)N1CC[NH+]=C21 ZINC000012188541 279292811 /nfs/dbraw/zinc/29/28/11/279292811.db2.gz FUCOAUVAYYCAFA-GOSISDBHSA-N 1 2 335.798 3.470 40 0 EGABLO Nc1c(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)ccnc1-c1ccccc1 ZINC000225557771 295345118 /nfs/dbraw/zinc/34/51/18/295345118.db2.gz YXIBHSMFTBVUED-INIZCTEOSA-N 1 2 347.422 3.421 40 0 EGABLO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCCCN3c3cc[nH+]c(C)n3)n2)n1 ZINC000257207096 301023942 /nfs/dbraw/zinc/02/39/42/301023942.db2.gz BGHYNNFPYSNUAG-INIZCTEOSA-N 1 2 349.442 3.314 40 0 EGABLO C[C@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(F)cc1F ZINC000390835655 324284352 /nfs/dbraw/zinc/28/43/52/324284352.db2.gz UFEAIZISPCSIOH-GFCCVEGCSA-N 1 2 348.397 3.381 40 0 EGABLO C[C@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(F)cc1F ZINC000390835655 324284357 /nfs/dbraw/zinc/28/43/57/324284357.db2.gz UFEAIZISPCSIOH-GFCCVEGCSA-N 1 2 348.397 3.381 40 0 EGABLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000180847528 455255298 /nfs/dbraw/zinc/25/52/98/455255298.db2.gz ZVKMZVYRPYPLMF-UGSOOPFHSA-N 1 2 348.878 3.096 40 0 EGABLO Cc1cc(O[C@H](C)C(=O)NCCCn2cc[nH+]c2)cc(C)c1Cl ZINC000008025053 453152330 /nfs/dbraw/zinc/15/23/30/453152330.db2.gz JKTKTBAGILAPSR-CQSZACIVSA-N 1 2 335.835 3.127 40 0 EGABLO CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000012629688 453385647 /nfs/dbraw/zinc/38/56/47/453385647.db2.gz KCGAWOKCQQXZEB-AWEZNQCLSA-N 1 2 348.406 3.322 40 0 EGABLO CC(C)c1noc([C@@H]2C[C@@H](O)C[N@@H+]2Cc2cc3ccccc3o2)n1 ZINC000015674758 453582489 /nfs/dbraw/zinc/58/24/89/453582489.db2.gz XBKYXBYRYQYQBH-HIFRSBDPSA-N 1 2 327.384 3.247 40 0 biogenic,in-vitro EGABLO CC(C)c1noc([C@@H]2C[C@@H](O)C[N@H+]2Cc2cc3ccccc3o2)n1 ZINC000015674758 453582492 /nfs/dbraw/zinc/58/24/92/453582492.db2.gz XBKYXBYRYQYQBH-HIFRSBDPSA-N 1 2 327.384 3.247 40 0 biogenic,in-vitro EGABLO Nc1ccc2[nH]c(-c3cccc(I)c3)[nH+]c2c1 ZINC000020480704 453666348 /nfs/dbraw/zinc/66/63/48/453666348.db2.gz MPPVNUQAAHKTRG-UHFFFAOYSA-N 1 2 335.148 3.417 40 0 EGABLO Cc1cc(C)cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000024758696 453746409 /nfs/dbraw/zinc/74/64/09/453746409.db2.gz HSHMVUONLPYIOC-FQEVSTJZSA-N 1 2 338.451 3.107 40 0 EGABLO Cc1nc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)oc1C ZINC000081583347 453891731 /nfs/dbraw/zinc/89/17/31/453891731.db2.gz FDNFDYUEQFAWJO-QGZVFWFLSA-N 1 2 345.418 3.101 40 0 EGABLO Cc1nc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)oc1C ZINC000081583347 453891736 /nfs/dbraw/zinc/89/17/36/453891736.db2.gz FDNFDYUEQFAWJO-QGZVFWFLSA-N 1 2 345.418 3.101 40 0 EGABLO CCOc1cc(-c2n[nH]c([C@H]([NH3+])Cc3ccccc3)n2)ccc1OC ZINC000095534934 454230442 /nfs/dbraw/zinc/23/04/42/454230442.db2.gz RTSQATQZVLWKPK-OAHLLOKOSA-N 1 2 338.411 3.122 40 0 EGABLO CCOC[C@@H]1CN(Cc2ccc(C)o2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060314 454275910 /nfs/dbraw/zinc/27/59/10/454275910.db2.gz NDQPTNMXVNQELU-INIZCTEOSA-N 1 2 329.444 3.330 40 0 EGABLO CCOC[C@@H]1C[N@H+](Cc2ccc(C)o2)Cc2ncn(CC3CC3)c21 ZINC000096060314 454275911 /nfs/dbraw/zinc/27/59/11/454275911.db2.gz NDQPTNMXVNQELU-INIZCTEOSA-N 1 2 329.444 3.330 40 0 EGABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C)o2)Cc2ncn(CC3CC3)c21 ZINC000096060314 454275915 /nfs/dbraw/zinc/27/59/15/454275915.db2.gz NDQPTNMXVNQELU-INIZCTEOSA-N 1 2 329.444 3.330 40 0 EGABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2csc3ccccc23)C1 ZINC000096207038 454304137 /nfs/dbraw/zinc/30/41/37/454304137.db2.gz FDAOXXIKLALBPR-ZDUSSCGKSA-N 1 2 341.436 3.016 40 0 EGABLO O=C(c1cccc(C(F)(F)F)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120514452 454312211 /nfs/dbraw/zinc/31/22/11/454312211.db2.gz JGZWRIXZFCLZEP-OAHLLOKOSA-N 1 2 336.313 3.394 40 0 EGABLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000096423015 454337970 /nfs/dbraw/zinc/33/79/70/454337970.db2.gz JEJGGPGUISSLIC-OAHLLOKOSA-N 1 2 346.862 3.102 40 0 EGABLO Cc1cc(CC(=O)N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)no1 ZINC000096425999 454339536 /nfs/dbraw/zinc/33/95/36/454339536.db2.gz RCNFTYAOKFVNAF-CQSZACIVSA-N 1 2 347.846 3.084 40 0 EGABLO COc1ccc(NC(C)=O)c(NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000096427457 454340626 /nfs/dbraw/zinc/34/06/26/454340626.db2.gz QBPZFZASDDJUPL-UHFFFAOYSA-N 1 2 342.321 3.025 40 0 EGABLO CO[C@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000096432106 454343030 /nfs/dbraw/zinc/34/30/30/454343030.db2.gz TUOKDCWXFAZQAF-KXBFYZLASA-N 1 2 335.407 3.437 40 0 EGABLO CC[C@@H](Oc1ccccc1C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000096454286 454357443 /nfs/dbraw/zinc/35/74/43/454357443.db2.gz HRTOAGSJPVZHBP-JKSUJKDBSA-N 1 2 327.428 3.282 40 0 EGABLO C[C@@H](c1nc(-c2ccc(S(C)(=O)=O)cc2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000191170944 455457682 /nfs/dbraw/zinc/45/76/82/455457682.db2.gz OVBKRLBPLAVDNX-UPJWGTAASA-N 1 2 349.456 3.074 40 0 EGABLO C[C@@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)Cc1cccs1 ZINC000074628915 454611640 /nfs/dbraw/zinc/61/16/40/454611640.db2.gz HOALZYOKNQGGRY-KGLIPLIRSA-N 1 2 332.473 3.239 40 0 EGABLO CS(=O)(=O)C[C@@H]([NH2+]Cc1cc(F)ccc1Cl)c1ccccc1 ZINC000189346562 455181594 /nfs/dbraw/zinc/18/15/94/455181594.db2.gz PPAJMXPMFROSEK-MRXNPFEDSA-N 1 2 341.835 3.355 40 0 EGABLO Cc1ccncc1CO[C@H]1CCOC2(C[NH+](Cc3ccsc3)C2)C1 ZINC000247822036 455647277 /nfs/dbraw/zinc/64/72/77/455647277.db2.gz HCSOJNDFCSTKND-SFHVURJKSA-N 1 2 344.480 3.402 40 0 EGABLO CCc1nnc(C[N@@H+]2C[C@H](C)CC[C@@H]2c2ccccc2OC)n1C ZINC000253417476 455841699 /nfs/dbraw/zinc/84/16/99/455841699.db2.gz VXGUNEJGFKPHJT-GDBMZVCRSA-N 1 2 328.460 3.359 40 0 EGABLO CCc1nnc(C[N@H+]2C[C@H](C)CC[C@@H]2c2ccccc2OC)n1C ZINC000253417476 455841703 /nfs/dbraw/zinc/84/17/03/455841703.db2.gz VXGUNEJGFKPHJT-GDBMZVCRSA-N 1 2 328.460 3.359 40 0 EGABLO CC(C)c1ncc(C[N@@H+]2CCCC[C@@H]2c2ccnc(N(C)C)n2)cn1 ZINC000257274169 455880518 /nfs/dbraw/zinc/88/05/18/455880518.db2.gz NJVRLNNGJCARIE-QGZVFWFLSA-N 1 2 340.475 3.183 40 0 EGABLO CC(C)c1ncc(C[N@H+]2CCCC[C@@H]2c2ccnc(N(C)C)n2)cn1 ZINC000257274169 455880521 /nfs/dbraw/zinc/88/05/21/455880521.db2.gz NJVRLNNGJCARIE-QGZVFWFLSA-N 1 2 340.475 3.183 40 0 EGABLO Cc1onc(C(C)C)c1C(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257343783 455895765 /nfs/dbraw/zinc/89/57/65/455895765.db2.gz ZUKBFJHECNKSKY-HNNXBMFYSA-N 1 2 342.443 3.242 40 0 EGABLO O=C(Nc1ccc2sccc2c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000195546456 455982985 /nfs/dbraw/zinc/98/29/85/455982985.db2.gz WRFMWMHIHGLATH-MRXNPFEDSA-N 1 2 345.468 3.230 40 0 EGABLO COc1ccc(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000222910838 456051821 /nfs/dbraw/zinc/05/18/21/456051821.db2.gz KXYQNAGGESZDOV-UHFFFAOYSA-N 1 2 335.407 3.048 40 0 EGABLO C[C@@H](COc1ccccc1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000223072984 456053683 /nfs/dbraw/zinc/05/36/83/456053683.db2.gz OLZNVRJZBUVCPX-INIZCTEOSA-N 1 2 335.407 3.129 40 0 EGABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)c1ccc(Cl)cc1 ZINC000224351751 456065357 /nfs/dbraw/zinc/06/53/57/456065357.db2.gz RVKQFNXDTQBLOP-UHFFFAOYSA-N 1 2 345.834 3.049 40 0 EGABLO CCc1ccc(OCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000225165791 456074410 /nfs/dbraw/zinc/07/44/10/456074410.db2.gz FBLOBVNVUHFTCJ-UHFFFAOYSA-N 1 2 349.434 3.303 40 0 EGABLO Fc1ccccc1NC(=S)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000225453106 456084843 /nfs/dbraw/zinc/08/48/43/456084843.db2.gz SOROSPPAGMWFES-UHFFFAOYSA-N 1 2 326.400 3.498 40 0 EGABLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@H]1c1ccsc1 ZINC000263806120 456229376 /nfs/dbraw/zinc/22/93/76/456229376.db2.gz RYXRCACGSZETHZ-HNNXBMFYSA-N 1 2 330.457 3.328 40 0 EGABLO Clc1ccc(N2CC[C@H](Nc3cc(N4CCCC4)nc[nH+]3)C2)cc1 ZINC000302829209 456412703 /nfs/dbraw/zinc/41/27/03/456412703.db2.gz JOAHRVGKGQDDRF-HNNXBMFYSA-N 1 2 343.862 3.421 40 0 EGABLO Clc1ccc(N2CC[C@H](Nc3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000302829209 456412705 /nfs/dbraw/zinc/41/27/05/456412705.db2.gz JOAHRVGKGQDDRF-HNNXBMFYSA-N 1 2 343.862 3.421 40 0 EGABLO COc1cccc([C@H]2C[C@H](O)CN2c2[nH+]c3cccc(F)c3n2C)c1 ZINC000669662426 461757131 /nfs/dbraw/zinc/75/71/31/461757131.db2.gz RDVHAGDOTPITKE-SUMWQHHRSA-N 1 2 341.386 3.033 40 0 EGABLO C[C@@H](c1nc(-c2ccc(S(C)(=O)=O)cc2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000191170913 534133093 /nfs/dbraw/zinc/13/30/93/534133093.db2.gz OVBKRLBPLAVDNX-XQQFMLRXSA-N 1 2 349.456 3.074 40 0 EGABLO C[C@@H](c1nc(-c2ccc(S(C)(=O)=O)cc2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000191170913 534133097 /nfs/dbraw/zinc/13/30/97/534133097.db2.gz OVBKRLBPLAVDNX-XQQFMLRXSA-N 1 2 349.456 3.074 40 0 EGABLO CCCCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1(C)C ZINC000368456667 168358641 /nfs/dbraw/zinc/35/86/41/168358641.db2.gz BYOINRXQQMSGAR-VNQPRFMTSA-N 1 2 333.476 3.272 40 0 EGABLO Cc1ccc(-n2ncc3c2nc[nH+]c3NCCCOC(C)C)cc1 ZINC000004354864 210178608 /nfs/dbraw/zinc/17/86/08/210178608.db2.gz CPMNBNVCQPOTEX-UHFFFAOYSA-N 1 2 325.416 3.351 40 0 EGABLO CC(C)Oc1cc(C(=O)NCCCn2cc[nH+]c2)cc2occc21 ZINC000072240195 216080062 /nfs/dbraw/zinc/08/00/62/216080062.db2.gz BKRIQUBXFZVJOM-UHFFFAOYSA-N 1 2 327.384 3.237 40 0 EGABLO c1c[nH]c(C[N@@H+]2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)n1 ZINC000072362996 216169626 /nfs/dbraw/zinc/16/96/26/216169626.db2.gz KDHMXMSJJYTDGA-OAHLLOKOSA-N 1 2 335.411 3.372 40 0 EGABLO c1c[nH]c(C[N@H+]2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)n1 ZINC000072362996 216169630 /nfs/dbraw/zinc/16/96/30/216169630.db2.gz KDHMXMSJJYTDGA-OAHLLOKOSA-N 1 2 335.411 3.372 40 0 EGABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000072378404 216179489 /nfs/dbraw/zinc/17/94/89/216179489.db2.gz KLZGVUNDBMHGSH-KRWDZBQOSA-N 1 2 347.422 3.202 40 0 EGABLO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCN1C(=O)c1ccncc1 ZINC000072389530 216189424 /nfs/dbraw/zinc/18/94/24/216189424.db2.gz IOJCRZAJYFLYEQ-LJQANCHMSA-N 1 2 341.430 3.203 40 0 EGABLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCN1C(=O)c1ccncc1 ZINC000072389530 216189427 /nfs/dbraw/zinc/18/94/27/216189427.db2.gz IOJCRZAJYFLYEQ-LJQANCHMSA-N 1 2 341.430 3.203 40 0 EGABLO Cc1ccc(OCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC000225179334 241804521 /nfs/dbraw/zinc/80/45/21/241804521.db2.gz YVJUBKPCSGOYID-UHFFFAOYSA-N 1 2 349.434 3.357 40 0 EGABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000226261756 242093132 /nfs/dbraw/zinc/09/31/32/242093132.db2.gz MFSHDQMGURTRAD-UHFFFAOYSA-N 1 2 343.427 3.385 40 0 EGABLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)on1 ZINC000253369365 243880108 /nfs/dbraw/zinc/88/01/08/243880108.db2.gz BNZPHNPCONUVEA-WBVHZDCISA-N 1 2 349.381 3.215 40 0 EGABLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)on1 ZINC000253369365 243880114 /nfs/dbraw/zinc/88/01/14/243880114.db2.gz BNZPHNPCONUVEA-WBVHZDCISA-N 1 2 349.381 3.215 40 0 EGABLO c1coc(C[N@@H+]2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)c1 ZINC000253588553 244026392 /nfs/dbraw/zinc/02/63/92/244026392.db2.gz HPAOOOVERHQPEQ-LJQANCHMSA-N 1 2 344.455 3.471 40 0 EGABLO c1coc(C[N@H+]2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)c1 ZINC000253588553 244026403 /nfs/dbraw/zinc/02/64/03/244026403.db2.gz HPAOOOVERHQPEQ-LJQANCHMSA-N 1 2 344.455 3.471 40 0 EGABLO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCn1cc[nH+]c1 ZINC000020456297 212131590 /nfs/dbraw/zinc/13/15/90/212131590.db2.gz CCMFFELGIHACHS-LJQANCHMSA-N 1 2 337.423 3.400 40 0 EGABLO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000257210431 244148947 /nfs/dbraw/zinc/14/89/47/244148947.db2.gz BUNXBFTWRXRXMD-OAHLLOKOSA-N 1 2 349.442 3.026 40 0 EGABLO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000257210431 244148952 /nfs/dbraw/zinc/14/89/52/244148952.db2.gz BUNXBFTWRXRXMD-OAHLLOKOSA-N 1 2 349.442 3.026 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)COc3cccc(F)c3)C2)cc[nH+]1 ZINC000257242831 244247591 /nfs/dbraw/zinc/24/75/91/244247591.db2.gz IEJCZXDBQOXNRL-HNNXBMFYSA-N 1 2 343.402 3.047 40 0 EGABLO Fc1cccc(C[N@@H+]2CCC[C@H]2c2nnc(-c3cnccn3)o2)c1F ZINC000019292738 212013303 /nfs/dbraw/zinc/01/33/03/212013303.db2.gz CNVPPWUEIRCMEJ-AWEZNQCLSA-N 1 2 343.337 3.142 40 0 EGABLO Fc1cccc(C[N@H+]2CCC[C@H]2c2nnc(-c3cnccn3)o2)c1F ZINC000019292738 212013305 /nfs/dbraw/zinc/01/33/05/212013305.db2.gz CNVPPWUEIRCMEJ-AWEZNQCLSA-N 1 2 343.337 3.142 40 0 EGABLO Cc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)o1 ZINC000097374078 219017453 /nfs/dbraw/zinc/01/74/53/219017453.db2.gz JUJRHBKOHFTYLS-HZMBPMFUSA-N 1 2 337.217 3.228 40 0 EGABLO CCn1c(C)nnc1C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000097373727 323215526 /nfs/dbraw/zinc/21/55/26/323215526.db2.gz DWUPDSMYKKXIMK-GFCCVEGCSA-N 1 2 342.422 3.090 40 0 EGABLO c1c(CNc2ccc(-c3ccccc3)c[nH+]2)nnn1Cc1cccnc1 ZINC000162226407 323223725 /nfs/dbraw/zinc/22/37/25/323223725.db2.gz WLVXFZUKHJGMPE-UHFFFAOYSA-N 1 2 342.406 3.396 40 0 EGABLO CCC1(CC)C[N@H+](Cc2noc(C3CCOCC3)n2)CCS1 ZINC000390834417 324284229 /nfs/dbraw/zinc/28/42/29/324284229.db2.gz YJFNBXLASSFKEP-UHFFFAOYSA-N 1 2 325.478 3.071 40 0 EGABLO CCC1(CC)C[N@@H+](Cc2noc(C3CCOCC3)n2)CCS1 ZINC000390834417 324284234 /nfs/dbraw/zinc/28/42/34/324284234.db2.gz YJFNBXLASSFKEP-UHFFFAOYSA-N 1 2 325.478 3.071 40 0 EGABLO C[C@@H](NC(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)c1ccco1 ZINC000240333417 455263777 /nfs/dbraw/zinc/26/37/77/455263777.db2.gz FDBLIRWHVBMWKX-HUUCEWRRSA-N 1 2 348.468 3.200 40 0 EGABLO C[C@@H](NC(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1)c1ccco1 ZINC000240333417 455263781 /nfs/dbraw/zinc/26/37/81/455263781.db2.gz FDBLIRWHVBMWKX-HUUCEWRRSA-N 1 2 348.468 3.200 40 0 EGABLO CCOC(=O)Cc1csc(SCc2cn3cccc(C)c3[nH+]2)n1 ZINC000005983415 452913689 /nfs/dbraw/zinc/91/36/89/452913689.db2.gz SXLMAHABFLYMKL-UHFFFAOYSA-N 1 2 347.465 3.497 40 0 EGABLO O=C1OCCN1c1cccc2c1CC[N@H+](Cc1nc3ccccc3o1)C2 ZINC000075916900 453938822 /nfs/dbraw/zinc/93/88/22/453938822.db2.gz WDBZAQAXFMZXNN-UHFFFAOYSA-N 1 2 349.390 3.343 40 0 EGABLO O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1nc3ccccc3o1)C2 ZINC000075916900 453938827 /nfs/dbraw/zinc/93/88/27/453938827.db2.gz WDBZAQAXFMZXNN-UHFFFAOYSA-N 1 2 349.390 3.343 40 0 EGABLO Cc1cccc2[nH+]c(CNc3cccc(CS(C)(=O)=O)c3C)cn21 ZINC000083141359 453939898 /nfs/dbraw/zinc/93/98/98/453939898.db2.gz VKLRRQMNVOHHRA-UHFFFAOYSA-N 1 2 343.452 3.108 40 0 EGABLO COc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1F ZINC000044889250 454124508 /nfs/dbraw/zinc/12/45/08/454124508.db2.gz HSYHBNCBYADOTR-KRWDZBQOSA-N 1 2 339.370 3.087 40 0 EGABLO COc1cccc(CCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000044906929 454125914 /nfs/dbraw/zinc/12/59/14/454125914.db2.gz JSDUWYDQRBQHBQ-UHFFFAOYSA-N 1 2 349.434 3.303 40 0 EGABLO CCOC[C@H]1CN(Cc2c(C)noc2C)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045117 454267616 /nfs/dbraw/zinc/26/76/16/454267616.db2.gz MTGGIAWUPWNSCR-MRXNPFEDSA-N 1 2 344.459 3.034 40 0 EGABLO CCOC[C@H]1C[N@H+](Cc2c(C)noc2C)Cc2ncn(CC3CC3)c21 ZINC000096045117 454267622 /nfs/dbraw/zinc/26/76/22/454267622.db2.gz MTGGIAWUPWNSCR-MRXNPFEDSA-N 1 2 344.459 3.034 40 0 EGABLO CCOC[C@H]1C[N@@H+](Cc2c(C)noc2C)Cc2ncn(CC3CC3)c21 ZINC000096045117 454267626 /nfs/dbraw/zinc/26/76/26/454267626.db2.gz MTGGIAWUPWNSCR-MRXNPFEDSA-N 1 2 344.459 3.034 40 0 EGABLO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4nccs4)C3)CC2=O)s1 ZINC000096050861 454272189 /nfs/dbraw/zinc/27/21/89/454272189.db2.gz NWDUYUNEECNIIN-INIZCTEOSA-N 1 2 333.482 3.142 40 0 EGABLO Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4nccs4)C3)CC2=O)s1 ZINC000096050861 454272193 /nfs/dbraw/zinc/27/21/93/454272193.db2.gz NWDUYUNEECNIIN-INIZCTEOSA-N 1 2 333.482 3.142 40 0 EGABLO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccsc1 ZINC000096058058 454273845 /nfs/dbraw/zinc/27/38/45/454273845.db2.gz ARWJVFKAZPVJES-ARFHVFGLSA-N 1 2 334.416 3.093 40 0 EGABLO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccsc1 ZINC000096058058 454273852 /nfs/dbraw/zinc/27/38/52/454273852.db2.gz ARWJVFKAZPVJES-ARFHVFGLSA-N 1 2 334.416 3.093 40 0 EGABLO Fc1ccc(C[N@@H+]2CCCn3cnc(COCC4CC4)c3C2)cc1 ZINC000096059021 454276097 /nfs/dbraw/zinc/27/60/97/454276097.db2.gz ORTRJCFMZSBQOK-UHFFFAOYSA-N 1 2 329.419 3.355 40 0 EGABLO Fc1ccc(C[N@H+]2CCCn3cnc(COCC4CC4)c3C2)cc1 ZINC000096059021 454276100 /nfs/dbraw/zinc/27/61/00/454276100.db2.gz ORTRJCFMZSBQOK-UHFFFAOYSA-N 1 2 329.419 3.355 40 0 EGABLO CCn1cc2c(n1)C[N@@H+](Cc1ccsc1)C[C@@H]2COCC1CC1 ZINC000096060420 454276723 /nfs/dbraw/zinc/27/67/23/454276723.db2.gz KBGUBCULFCOZAL-MRXNPFEDSA-N 1 2 331.485 3.491 40 0 EGABLO CCn1cc2c(n1)C[N@H+](Cc1ccsc1)C[C@@H]2COCC1CC1 ZINC000096060420 454276728 /nfs/dbraw/zinc/27/67/28/454276728.db2.gz KBGUBCULFCOZAL-MRXNPFEDSA-N 1 2 331.485 3.491 40 0 EGABLO Cc1nc(C[N@@H+]2CC[C@@]23CCN(C(=O)c2cccc(C)c2)C3)cs1 ZINC000096076052 454279342 /nfs/dbraw/zinc/27/93/42/454279342.db2.gz CKBFJXRNCWNBQL-LJQANCHMSA-N 1 2 341.480 3.251 40 0 EGABLO Cc1nc(C[N@H+]2CC[C@@]23CCN(C(=O)c2cccc(C)c2)C3)cs1 ZINC000096076052 454279348 /nfs/dbraw/zinc/27/93/48/454279348.db2.gz CKBFJXRNCWNBQL-LJQANCHMSA-N 1 2 341.480 3.251 40 0 EGABLO C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000096409907 454328402 /nfs/dbraw/zinc/32/84/02/454328402.db2.gz BOVPVCIIMPUAJL-UZLBHIALSA-N 1 2 347.418 3.475 40 0 EGABLO CCS(=O)(=O)CC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000096411340 454329023 /nfs/dbraw/zinc/32/90/23/454329023.db2.gz GVBJTXPUVWRTGC-AWEZNQCLSA-N 1 2 346.290 3.021 40 0 EGABLO CCS(=O)(=O)CC[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000096411340 454329027 /nfs/dbraw/zinc/32/90/27/454329027.db2.gz GVBJTXPUVWRTGC-AWEZNQCLSA-N 1 2 346.290 3.021 40 0 EGABLO CC[C@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1F ZINC000096415407 454331255 /nfs/dbraw/zinc/33/12/55/454331255.db2.gz PNPFFWFLRXQJOZ-INIZCTEOSA-N 1 2 348.397 3.448 40 0 EGABLO CO[C@@H](C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000096432105 454343405 /nfs/dbraw/zinc/34/34/05/454343405.db2.gz TUOKDCWXFAZQAF-DNVCBOLYSA-N 1 2 335.407 3.437 40 0 EGABLO FC(F)(F)c1cc[nH+]c(NCc2cccc(Cn3cncn3)c2)c1 ZINC000096444914 454351885 /nfs/dbraw/zinc/35/18/85/454351885.db2.gz GKTLKTVQKUBHGG-UHFFFAOYSA-N 1 2 333.317 3.352 40 0 EGABLO Cc1cc(NC(=O)[C@@H](C)c2cccs2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000096482569 454364695 /nfs/dbraw/zinc/36/46/95/454364695.db2.gz RULZFZAEFSDNDI-LBPRGKRZSA-N 1 2 341.440 3.391 40 0 EGABLO Cc1nc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)sc1C ZINC000096490972 454368778 /nfs/dbraw/zinc/36/87/78/454368778.db2.gz LRRWWCHOGCWFBI-MRXNPFEDSA-N 1 2 329.469 3.213 40 0 EGABLO COc1ccc(NC(=O)c2ccn3cc[nH+]c3c2)cc1OC(C)C ZINC000097376789 454434285 /nfs/dbraw/zinc/43/42/85/454434285.db2.gz JTXREHLEWVOZQC-UHFFFAOYSA-N 1 2 325.368 3.382 40 0 EGABLO CC1CCN(c2ccc(CNC(=O)COc3ccccc3)c[nH+]2)CC1 ZINC000048311830 454471396 /nfs/dbraw/zinc/47/13/96/454471396.db2.gz SUBOYFWGJMVLFG-UHFFFAOYSA-N 1 2 339.439 3.013 40 0 EGABLO Cc1nc(CN2[C@H](C)C[N@@H+](Cc3csc(C)n3)C[C@@H]2C)cs1 ZINC000191134058 455449828 /nfs/dbraw/zinc/44/98/28/455449828.db2.gz SFOIMPXZWAXCIT-TXEJJXNPSA-N 1 2 336.530 3.311 40 0 EGABLO Cc1nc(CN2[C@H](C)C[N@H+](Cc3csc(C)n3)C[C@@H]2C)cs1 ZINC000191134058 455449832 /nfs/dbraw/zinc/44/98/32/455449832.db2.gz SFOIMPXZWAXCIT-TXEJJXNPSA-N 1 2 336.530 3.311 40 0 EGABLO COC(=O)c1c2c(sc1NC(=O)Nc1ccccc1)C[N@@H+](C)CC2 ZINC000105355862 454635891 /nfs/dbraw/zinc/63/58/91/454635891.db2.gz CBIPGKNPLVNQCJ-UHFFFAOYSA-N 1 2 345.424 3.167 40 0 EGABLO COC(=O)c1c2c(sc1NC(=O)Nc1ccccc1)C[N@H+](C)CC2 ZINC000105355862 454635896 /nfs/dbraw/zinc/63/58/96/454635896.db2.gz CBIPGKNPLVNQCJ-UHFFFAOYSA-N 1 2 345.424 3.167 40 0 EGABLO Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(C)n1 ZINC000176709404 454773803 /nfs/dbraw/zinc/77/38/03/454773803.db2.gz JJQFDHQKDAXPOO-UHFFFAOYSA-N 1 2 339.443 3.405 40 0 EGABLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000156555837 455132270 /nfs/dbraw/zinc/13/22/70/455132270.db2.gz QEINPWZKXFIBJP-DOMZBBRYSA-N 1 2 346.500 3.097 40 0 EGABLO c1cc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CCO3)cs1 ZINC000247974842 455663675 /nfs/dbraw/zinc/66/36/75/455663675.db2.gz USRJQXQEGPUDRE-QGZVFWFLSA-N 1 2 330.453 3.093 40 0 EGABLO Cc1cnc(C[NH+]2CCN(c3cccc(Br)c3)CC2)o1 ZINC000284788577 455743026 /nfs/dbraw/zinc/74/30/26/455743026.db2.gz OMNGMFLJPNRGQQ-UHFFFAOYSA-N 1 2 336.233 3.068 40 0 EGABLO C[C@H]1CCN(C(=O)NCC2CCC(F)(F)CC2)C[C@H]1n1cc[nH+]c1 ZINC000253397998 455839162 /nfs/dbraw/zinc/83/91/62/455839162.db2.gz JONNTNPZRJQGOD-DZGCQCFKSA-N 1 2 340.418 3.301 40 0 EGABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+]2Cc2cc[nH]n2)nc(C)n1 ZINC000257292454 455884389 /nfs/dbraw/zinc/88/43/89/455884389.db2.gz QLNHQLSPASXKMZ-QGZVFWFLSA-N 1 2 349.442 3.292 40 0 EGABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+]2Cc2cc[nH]n2)nc(C)n1 ZINC000257292454 455884391 /nfs/dbraw/zinc/88/43/91/455884391.db2.gz QLNHQLSPASXKMZ-QGZVFWFLSA-N 1 2 349.442 3.292 40 0 EGABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2Cc2ccncc2C)cc1 ZINC000257299553 455887076 /nfs/dbraw/zinc/88/70/76/455887076.db2.gz RQMRWCXYBSJSLZ-LJQANCHMSA-N 1 2 334.423 3.352 40 0 EGABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)Cc3ccc4c(c3)CCC4)C2)[nH+]1 ZINC000257312164 455889623 /nfs/dbraw/zinc/88/96/23/455889623.db2.gz UMTDLBVMCQZUPJ-LJQANCHMSA-N 1 2 337.467 3.166 40 0 EGABLO O=C(Cc1ccc(F)cc1)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257321872 455892407 /nfs/dbraw/zinc/89/24/07/455892407.db2.gz WDPWDZJSQNNFOA-UHFFFAOYSA-N 1 2 337.398 3.422 40 0 EGABLO Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3[nH]cc[nH+]3)n2)s1 ZINC000225399944 456080407 /nfs/dbraw/zinc/08/04/07/456080407.db2.gz NCWSUIOPJMPRBK-NSHDSACASA-N 1 2 349.847 3.088 40 0 biogenic,in-vitro EGABLO O=C(CC(F)(F)F)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000225452367 456084516 /nfs/dbraw/zinc/08/45/16/456084516.db2.gz KXZBDPJGOOTHBN-LLVKDONJSA-N 1 2 338.732 3.122 40 0 EGABLO O=C(CC(F)(F)F)N[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000225452367 456084521 /nfs/dbraw/zinc/08/45/21/456084521.db2.gz KXZBDPJGOOTHBN-LLVKDONJSA-N 1 2 338.732 3.122 40 0 EGABLO Cc1oc2ccccc2c1CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000281174717 456153050 /nfs/dbraw/zinc/15/30/50/456153050.db2.gz JBHPLVGPIJHXLF-UHFFFAOYSA-N 1 2 336.382 3.335 40 0 EGABLO Cc1c[nH+]ccc1NC(=O)N[C@@H](Cc1ccccn1)c1ccccc1 ZINC000390833199 457446178 /nfs/dbraw/zinc/44/61/78/457446178.db2.gz DLYTYLLRCSFSIE-IBGZPJMESA-N 1 2 332.407 3.312 40 0 EGABLO CC1=C(Br)C[N@H+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000390835819 457447935 /nfs/dbraw/zinc/44/79/35/457447935.db2.gz YZUHVRXESYGNQC-UHFFFAOYSA-N 1 2 348.244 3.253 40 0 EGABLO CC1=C(Br)C[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000390835819 457447939 /nfs/dbraw/zinc/44/79/39/457447939.db2.gz YZUHVRXESYGNQC-UHFFFAOYSA-N 1 2 348.244 3.253 40 0 EGABLO CO[C@@H]1C[C@H](N(C)c2[nH+]cnc3c2cnn3-c2ccccc2)C12CCC2 ZINC000578604270 459228300 /nfs/dbraw/zinc/22/83/00/459228300.db2.gz USWJGONOKOCENY-DLBZAZTESA-N 1 2 349.438 3.209 40 0 EGABLO C[C@@H]1C[C@H](C)CN(C(=O)c2nc3c(o2)CC[N@H+](CC2CCCC2)C3)C1 ZINC000585112814 459826105 /nfs/dbraw/zinc/82/61/05/459826105.db2.gz VOWCQFLTUZTSQK-GASCZTMLSA-N 1 2 345.487 3.341 40 0 EGABLO C[C@@H]1C[C@H](C)CN(C(=O)c2nc3c(o2)CC[N@@H+](CC2CCCC2)C3)C1 ZINC000585112814 459826108 /nfs/dbraw/zinc/82/61/08/459826108.db2.gz VOWCQFLTUZTSQK-GASCZTMLSA-N 1 2 345.487 3.341 40 0 EGABLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)nn1 ZINC000191448688 526920963 /nfs/dbraw/zinc/92/09/63/526920963.db2.gz LNOHRQKUAVJJKO-QGZVFWFLSA-N 1 2 344.434 3.410 40 0 EGABLO CC(C)(C)n1cc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)nn1 ZINC000191448688 526920970 /nfs/dbraw/zinc/92/09/70/526920970.db2.gz LNOHRQKUAVJJKO-QGZVFWFLSA-N 1 2 344.434 3.410 40 0 EGABLO CN(C)c1cc([C@@H]2CCCN(C(=O)c3n[nH]c4ccccc43)C2)cc[nH+]1 ZINC000257255744 536145575 /nfs/dbraw/zinc/14/55/75/536145575.db2.gz KIRKVNUMXYZKHY-OAHLLOKOSA-N 1 2 349.438 3.044 40 0 EGABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(c3cnccn3)C2)n1 ZINC000072355687 216164215 /nfs/dbraw/zinc/16/42/15/216164215.db2.gz SWBQEHYABZCHTD-OAHLLOKOSA-N 1 2 334.427 3.004 40 0 EGABLO c1csc(Nc2nccc([C@@H]3CCC[N@H+]3Cc3ccncc3)n2)n1 ZINC000072377627 216179343 /nfs/dbraw/zinc/17/93/43/216179343.db2.gz YYAAPESGEUZCSI-HNNXBMFYSA-N 1 2 338.440 3.409 40 0 EGABLO c1csc(Nc2nccc([C@@H]3CCC[N@@H+]3Cc3ccncc3)n2)n1 ZINC000072377627 216179346 /nfs/dbraw/zinc/17/93/46/216179346.db2.gz YYAAPESGEUZCSI-HNNXBMFYSA-N 1 2 338.440 3.409 40 0 EGABLO Cc1nc(Nc2nncs2)cc([C@H]2CC[N@H+](CC(C)(C)C)C2)n1 ZINC000072383656 216183893 /nfs/dbraw/zinc/18/38/93/216183893.db2.gz YFDJCSXTNRBDHX-LBPRGKRZSA-N 1 2 332.477 3.216 40 0 EGABLO Cc1nc(Nc2nncs2)cc([C@H]2CC[N@@H+](CC(C)(C)C)C2)n1 ZINC000072383656 216183897 /nfs/dbraw/zinc/18/38/97/216183897.db2.gz YFDJCSXTNRBDHX-LBPRGKRZSA-N 1 2 332.477 3.216 40 0 EGABLO CC[C@H](C)[NH+](CN1C(=S)SC2=NC(=O)CCCN21)[C@@H](C)CC ZINC000023153909 212356419 /nfs/dbraw/zinc/35/64/19/212356419.db2.gz XBEMVZXYXJVNCA-RYUDHWBXSA-N 1 2 342.534 3.070 40 0 EGABLO O=C(C1CCCC1)N1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000023057606 212345408 /nfs/dbraw/zinc/34/54/08/212345408.db2.gz FUZPSYKLIZCVEW-UHFFFAOYSA-N 1 2 339.439 3.176 40 0 EGABLO Cc1cc(C)cc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000022514454 212303027 /nfs/dbraw/zinc/30/30/27/212303027.db2.gz UGXVUSHBPNCCLR-UHFFFAOYSA-N 1 2 335.407 3.184 40 0 EGABLO CC[N@H+](CC(=O)N[C@H](C)c1cn(C)nc1C)Cc1ccccc1Cl ZINC000225803085 242043063 /nfs/dbraw/zinc/04/30/63/242043063.db2.gz KPNBDIRCARBTKZ-CYBMUJFWSA-N 1 2 348.878 3.081 40 0 EGABLO CC[N@@H+](CC(=O)N[C@H](C)c1cn(C)nc1C)Cc1ccccc1Cl ZINC000225803085 242043070 /nfs/dbraw/zinc/04/30/70/242043070.db2.gz KPNBDIRCARBTKZ-CYBMUJFWSA-N 1 2 348.878 3.081 40 0 EGABLO CC[N@H+](CC(=O)N[C@@H](C)c1cn(C)nc1C)Cc1ccccc1Cl ZINC000225803111 242043600 /nfs/dbraw/zinc/04/36/00/242043600.db2.gz KPNBDIRCARBTKZ-ZDUSSCGKSA-N 1 2 348.878 3.081 40 0 EGABLO CC[N@@H+](CC(=O)N[C@@H](C)c1cn(C)nc1C)Cc1ccccc1Cl ZINC000225803111 242043603 /nfs/dbraw/zinc/04/36/03/242043603.db2.gz KPNBDIRCARBTKZ-ZDUSSCGKSA-N 1 2 348.878 3.081 40 0 EGABLO Cc1cc(N)nc(SC[C@@H](O)COc2ccc3ccccc3c2)[nH+]1 ZINC000021487357 212226574 /nfs/dbraw/zinc/22/65/74/212226574.db2.gz VDZGHIQHWXNFOL-HNNXBMFYSA-N 1 2 341.436 3.052 40 0 EGABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@H](Oc1ccccn1)CCO2 ZINC000253598925 244032931 /nfs/dbraw/zinc/03/29/31/244032931.db2.gz IZKBLXWQRJXYIG-OAHLLOKOSA-N 1 2 330.453 3.264 40 0 EGABLO COc1ccc(C2(C(=O)N3CCC[C@H]3c3[nH]cc(C)[nH+]3)CC2)cc1 ZINC000257212913 244157932 /nfs/dbraw/zinc/15/79/32/244157932.db2.gz CFKWZOSMSRTNQU-INIZCTEOSA-N 1 2 325.412 3.122 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)cc[nH+]1 ZINC000257219921 244180116 /nfs/dbraw/zinc/18/01/16/244180116.db2.gz DIVHPJBQKSKDTI-HNNXBMFYSA-N 1 2 335.411 3.019 40 0 EGABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccc(OC)c(F)c2)cc[nH+]1 ZINC000257262010 244350291 /nfs/dbraw/zinc/35/02/91/244350291.db2.gz LJQUXSVHQWMVRV-HNNXBMFYSA-N 1 2 329.375 3.248 40 0 EGABLO Cc1nc([C@@H]2CCCC[N@H+]2C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019754849 212062166 /nfs/dbraw/zinc/06/21/66/212062166.db2.gz MZVOUPXVUDGIQV-KRWDZBQOSA-N 1 2 342.418 3.011 40 0 EGABLO Cc1nc([C@@H]2CCCC[N@@H+]2C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019754849 212062172 /nfs/dbraw/zinc/06/21/72/212062172.db2.gz MZVOUPXVUDGIQV-KRWDZBQOSA-N 1 2 342.418 3.011 40 0 EGABLO Cc1cc(NS(=O)(=O)c2sccc2Br)cc[nH+]1 ZINC000078470697 217058249 /nfs/dbraw/zinc/05/82/49/217058249.db2.gz MJHARUPZZDSBGS-UHFFFAOYSA-N 1 2 333.232 3.015 40 0 EGABLO C[NH+](C)[C@@H](CNC(=O)CC[C@@H]1CCCCO1)c1c(F)cccc1F ZINC000079362816 217216462 /nfs/dbraw/zinc/21/64/62/217216462.db2.gz QDKBFZQHSBQSNI-BBRMVZONSA-N 1 2 340.414 3.033 40 0 EGABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000012221706 211323939 /nfs/dbraw/zinc/32/39/39/211323939.db2.gz QLZUMHJMOFRHNC-INIZCTEOSA-N 1 2 345.324 3.357 40 0 EGABLO CCN(CC)c1ccc(CNc2ncnc3c2ncn3C2CC2)c[nH+]1 ZINC000292412518 276790586 /nfs/dbraw/zinc/79/05/86/276790586.db2.gz JZKJYIRSIVEBLN-UHFFFAOYSA-N 1 2 337.431 3.015 40 0 EGABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1ccccc1Cl)C2 ZINC000096111899 290320549 /nfs/dbraw/zinc/32/05/49/290320549.db2.gz HRIULDGDGOHKKJ-YOEHRIQHSA-N 1 2 342.826 3.338 40 0 biogenic,in-vitro EGABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1ccccc1Cl)C2 ZINC000096111899 290320552 /nfs/dbraw/zinc/32/05/52/290320552.db2.gz HRIULDGDGOHKKJ-YOEHRIQHSA-N 1 2 342.826 3.338 40 0 biogenic,in-vitro EGABLO Cc1cc(C(=O)N2CCCC[C@@H]2c2[nH+]c(C)n3ccsc23)no1 ZINC000257302642 301091386 /nfs/dbraw/zinc/09/13/86/301091386.db2.gz SDRHLKJPZSGNJF-CYBMUJFWSA-N 1 2 330.413 3.368 40 0 EGABLO Cc1ccc2[nH+]cc(CNc3nnc([C@H]4Cc5ccccc5O4)o3)n2c1 ZINC000097231701 323215210 /nfs/dbraw/zinc/21/52/10/323215210.db2.gz XLBUQLLBQPMECJ-MRXNPFEDSA-N 1 2 347.378 3.314 40 0 EGABLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)on1 ZINC000097233683 323215257 /nfs/dbraw/zinc/21/52/57/323215257.db2.gz BNZPHNPCONUVEA-DOTOQJQBSA-N 1 2 349.381 3.215 40 0 EGABLO Cc1cc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)on1 ZINC000097233683 323215258 /nfs/dbraw/zinc/21/52/58/323215258.db2.gz BNZPHNPCONUVEA-DOTOQJQBSA-N 1 2 349.381 3.215 40 0 EGABLO CS(=O)(=O)CC1(C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)CC1 ZINC000390834156 324284260 /nfs/dbraw/zinc/28/42/60/324284260.db2.gz TUAPNFHOVJKMSN-UHFFFAOYSA-N 1 2 339.888 3.254 40 0 EGABLO CS(=O)(=O)CC1(C[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)CC1 ZINC000390834156 324284266 /nfs/dbraw/zinc/28/42/66/324284266.db2.gz TUAPNFHOVJKMSN-UHFFFAOYSA-N 1 2 339.888 3.254 40 0 EGABLO c1ccc([C@H](c2nnnn2C2CCCC2)[NH+]2CCCCCC2)nc1 ZINC000001335926 452652791 /nfs/dbraw/zinc/65/27/91/452652791.db2.gz FWSZKWIFPQBSHK-QGZVFWFLSA-N 1 2 326.448 3.149 40 0 EGABLO COc1ccc2c(c1)[C@@H](OC)[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N@H+]1C ZINC000005431446 452871551 /nfs/dbraw/zinc/87/15/51/452871551.db2.gz RRTPHPJGTHCVFW-RBUKOAKNSA-N 1 2 339.391 3.321 40 0 EGABLO COc1ccc2c(c1)[C@@H](OC)[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N@@H+]1C ZINC000005431446 452871558 /nfs/dbraw/zinc/87/15/58/452871558.db2.gz RRTPHPJGTHCVFW-RBUKOAKNSA-N 1 2 339.391 3.321 40 0 EGABLO O=C(c1cc(F)cc(F)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000028210858 453822750 /nfs/dbraw/zinc/82/27/50/453822750.db2.gz MFSKUTBHTOJVAZ-QPJJXVBHSA-N 1 2 342.389 3.436 40 0 EGABLO Cc1ccc([C@@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000030855877 453839465 /nfs/dbraw/zinc/83/94/65/453839465.db2.gz UIBKJGBZIVUGMF-QGZVFWFLSA-N 1 2 338.451 3.318 40 0 EGABLO O=C(/C=C\c1cc2ccccc2o1)N1CCN(c2cccc[nH+]2)CC1 ZINC000031871040 453856653 /nfs/dbraw/zinc/85/66/53/453856653.db2.gz VPYUXIAYGBDIBK-HJWRWDBZSA-N 1 2 333.391 3.190 40 0 EGABLO CSC[C@@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1ccccc1 ZINC000077344676 454094533 /nfs/dbraw/zinc/09/45/33/454094533.db2.gz ZWNKOHNSDCOWFV-MRXNPFEDSA-N 1 2 344.484 3.051 40 0 EGABLO O=C(NCCCOC1CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044851167 454122638 /nfs/dbraw/zinc/12/26/38/454122638.db2.gz DCKBWHADEGILBZ-UHFFFAOYSA-N 1 2 341.455 3.401 40 0 EGABLO CCOc1cc([C@@H]([NH3+])c2nc(-c3ccc(F)cc3)n[nH]2)ccc1OC ZINC000095534353 454230772 /nfs/dbraw/zinc/23/07/72/454230772.db2.gz QHUJCHFIYGWNRD-MRXNPFEDSA-N 1 2 342.374 3.066 40 0 EGABLO CCc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)o1 ZINC000096041716 454266333 /nfs/dbraw/zinc/26/63/33/454266333.db2.gz XXMZBGJXFDFYTG-XUVXKRRUSA-N 1 2 342.439 3.186 40 0 EGABLO CCc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)o1 ZINC000096041716 454266340 /nfs/dbraw/zinc/26/63/40/454266340.db2.gz XXMZBGJXFDFYTG-XUVXKRRUSA-N 1 2 342.439 3.186 40 0 EGABLO Fc1ccccc1C[N@@H+]1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 ZINC000096042254 454268630 /nfs/dbraw/zinc/26/86/30/454268630.db2.gz NSPLRZVZKVHISV-SLFFLAALSA-N 1 2 342.414 3.169 40 0 EGABLO Fc1ccccc1C[N@H+]1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 ZINC000096042254 454268635 /nfs/dbraw/zinc/26/86/35/454268635.db2.gz NSPLRZVZKVHISV-SLFFLAALSA-N 1 2 342.414 3.169 40 0 EGABLO CNc1[nH+]cccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072212574 454273928 /nfs/dbraw/zinc/27/39/28/454273928.db2.gz FELCKVCPDIJICW-QGZVFWFLSA-N 1 2 345.468 3.348 40 0 EGABLO CCOC[C@@H]1C[N@H+](Cc2scnc2C)Cc2cnn(CC3CC3)c21 ZINC000096068334 454277981 /nfs/dbraw/zinc/27/79/81/454277981.db2.gz XHVNBPCRGWSUPE-INIZCTEOSA-N 1 2 346.500 3.194 40 0 EGABLO CCOC[C@@H]1C[N@@H+](Cc2scnc2C)Cc2cnn(CC3CC3)c21 ZINC000096068334 454277986 /nfs/dbraw/zinc/27/79/86/454277986.db2.gz XHVNBPCRGWSUPE-INIZCTEOSA-N 1 2 346.500 3.194 40 0 EGABLO CCc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)o1 ZINC000096065710 454278629 /nfs/dbraw/zinc/27/86/29/454278629.db2.gz XXMZBGJXFDFYTG-UFYCRDLUSA-N 1 2 342.439 3.186 40 0 EGABLO CCc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)o1 ZINC000096065710 454278633 /nfs/dbraw/zinc/27/86/33/454278633.db2.gz XXMZBGJXFDFYTG-UFYCRDLUSA-N 1 2 342.439 3.186 40 0 EGABLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)c(OC)c1 ZINC000072340958 454294267 /nfs/dbraw/zinc/29/42/67/454294267.db2.gz MXBSDPPFCZTZOJ-KDOFPFPSSA-N 1 2 325.412 3.064 40 0 EGABLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)c(OC)c1 ZINC000072340958 454294271 /nfs/dbraw/zinc/29/42/71/454294271.db2.gz MXBSDPPFCZTZOJ-KDOFPFPSSA-N 1 2 325.412 3.064 40 0 EGABLO O=C(NCCCn1cc[nH+]c1)c1ccc(Oc2cccc(F)c2)o1 ZINC000096183942 454297941 /nfs/dbraw/zinc/29/79/41/454297941.db2.gz VCTKYOLGPGNECX-UHFFFAOYSA-N 1 2 329.331 3.228 40 0 EGABLO O=C(c1cccc(C(F)(F)F)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120514303 454312298 /nfs/dbraw/zinc/31/22/98/454312298.db2.gz JGZWRIXZFCLZEP-HNNXBMFYSA-N 1 2 336.313 3.394 40 0 EGABLO O=C(CCCn1cc[nH+]c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000096409373 454327638 /nfs/dbraw/zinc/32/76/38/454327638.db2.gz PDHFAZPHGGNNQW-UHFFFAOYSA-N 1 2 343.271 3.007 40 0 EGABLO CCOc1nnc(C[NH+]2CCC(Nc3cccc(C)c3)CC2)s1 ZINC000096421210 454336226 /nfs/dbraw/zinc/33/62/26/454336226.db2.gz IVOOCCBXDOJGBN-UHFFFAOYSA-N 1 2 332.473 3.322 40 0 EGABLO C[C@@H](NC(=O)Nn1cnc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000096437473 454348267 /nfs/dbraw/zinc/34/82/67/454348267.db2.gz NGMKUKZXGVHLHE-CQSZACIVSA-N 1 2 346.394 3.236 40 0 EGABLO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1csc(CS(C)(=O)=O)n1 ZINC000096443516 454351519 /nfs/dbraw/zinc/35/15/19/454351519.db2.gz ULYMKIGUOKVRFT-GXTWGEPZSA-N 1 2 330.519 3.088 40 0 EGABLO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1csc(CS(C)(=O)=O)n1 ZINC000096443516 454351514 /nfs/dbraw/zinc/35/15/14/454351514.db2.gz ULYMKIGUOKVRFT-GXTWGEPZSA-N 1 2 330.519 3.088 40 0 EGABLO Cc1csc(C2([NH2+]Cc3cc(=O)n4ccsc4n3)CCCC2)n1 ZINC000096444987 454351753 /nfs/dbraw/zinc/35/17/53/454351753.db2.gz RSRBHCGODPQHNZ-UHFFFAOYSA-N 1 2 346.481 3.080 40 0 EGABLO CCc1nc(C)c([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)s1 ZINC000182871582 455180547 /nfs/dbraw/zinc/18/05/47/455180547.db2.gz XLNOGGODQKCOMC-LBPRGKRZSA-N 1 2 332.473 3.419 40 0 EGABLO C[N@@H+]1CC[C@H](NC(=O)c2cccnc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248152263 455689891 /nfs/dbraw/zinc/68/98/91/455689891.db2.gz ULOIVMRSIJDOKF-JKSUJKDBSA-N 1 2 333.794 3.049 40 0 EGABLO C[N@H+]1CC[C@H](NC(=O)c2cccnc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248152263 455689895 /nfs/dbraw/zinc/68/98/95/455689895.db2.gz ULOIVMRSIJDOKF-JKSUJKDBSA-N 1 2 333.794 3.049 40 0 EGABLO O[C@H]1C[C@@H](c2ccccc2C(F)(F)F)[N@H+](Cc2cncs2)C1 ZINC000253417149 455842459 /nfs/dbraw/zinc/84/24/59/455842459.db2.gz XSFYAAXQVNQECX-HZMBPMFUSA-N 1 2 328.359 3.470 40 0 EGABLO O[C@H]1C[C@@H](c2ccccc2C(F)(F)F)[N@@H+](Cc2cncs2)C1 ZINC000253417149 455842462 /nfs/dbraw/zinc/84/24/62/455842462.db2.gz XSFYAAXQVNQECX-HZMBPMFUSA-N 1 2 328.359 3.470 40 0 EGABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2ccc3ccccc3c2)[nH+]1 ZINC000257306365 455887274 /nfs/dbraw/zinc/88/72/74/455887274.db2.gz STZZDQWXZOOSOW-GOSISDBHSA-N 1 2 335.407 3.014 40 0 EGABLO Cc1ccc(C(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)c(C)c1 ZINC000224350970 456065101 /nfs/dbraw/zinc/06/51/01/456065101.db2.gz UCXYIHGWYHYPGH-UHFFFAOYSA-N 1 2 339.443 3.012 40 0 EGABLO Oc1cccc(C[NH+]2CCN(C(=S)Nc3ccc(F)cc3)CC2)c1 ZINC000225220468 456075265 /nfs/dbraw/zinc/07/52/65/456075265.db2.gz ZDZHARONPJENMZ-UHFFFAOYSA-N 1 2 345.443 3.046 40 0 EGABLO Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH+]c[nH]3)n2)s1 ZINC000225399812 456079978 /nfs/dbraw/zinc/07/99/78/456079978.db2.gz XLBLYKAIHQWBHX-LBPRGKRZSA-N 1 2 349.847 3.088 40 0 biogenic,in-vitro EGABLO Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c[nH+]3)n2)s1 ZINC000225399812 456079987 /nfs/dbraw/zinc/07/99/87/456079987.db2.gz XLBLYKAIHQWBHX-LBPRGKRZSA-N 1 2 349.847 3.088 40 0 biogenic,in-vitro EGABLO O=C(Cc1ccccc1Cl)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000225437386 456083367 /nfs/dbraw/zinc/08/33/67/456083367.db2.gz YYXNMDRZEUJDFP-UHFFFAOYSA-N 1 2 325.799 3.385 40 0 EGABLO COc1ccc(CCCNC(=S)Nc2cc[nH+]cc2)cc1OC ZINC000225628887 456100440 /nfs/dbraw/zinc/10/04/40/456100440.db2.gz JMMSSVJUHFRKCQ-UHFFFAOYSA-N 1 2 331.441 3.018 40 0 EGABLO COC(=O)c1ccc(F)cc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000153684474 534180374 /nfs/dbraw/zinc/18/03/74/534180374.db2.gz UXAGNLOZOSPUES-CQSZACIVSA-N 1 2 346.362 3.095 40 0 EGABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)C2CCCC2)n1 ZINC000072378514 216180605 /nfs/dbraw/zinc/18/06/05/216180605.db2.gz FNBUWKGDNCCNGC-MRXNPFEDSA-N 1 2 339.443 3.078 40 0 EGABLO C[N@@H+](Cc1ccc(F)cc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000023058421 212345999 /nfs/dbraw/zinc/34/59/99/212345999.db2.gz PWYGBGKYISQXME-UHFFFAOYSA-N 1 2 343.427 3.244 40 0 EGABLO C[N@H+](Cc1ccc(F)cc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000023058421 212346004 /nfs/dbraw/zinc/34/60/04/212346004.db2.gz PWYGBGKYISQXME-UHFFFAOYSA-N 1 2 343.427 3.244 40 0 EGABLO Cc1ccc(CNC(=O)[C@@H](C)[N@H+](C)Cc2ccc(F)cc2F)cc1 ZINC000022965033 212338893 /nfs/dbraw/zinc/33/88/93/212338893.db2.gz DNIVRWKNYSAPOG-CQSZACIVSA-N 1 2 332.394 3.410 40 0 EGABLO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)cc2F)cc1 ZINC000022965033 212338897 /nfs/dbraw/zinc/33/88/97/212338897.db2.gz DNIVRWKNYSAPOG-CQSZACIVSA-N 1 2 332.394 3.410 40 0 EGABLO COc1ccc(C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C2CC2)cc1 ZINC000022135251 212279521 /nfs/dbraw/zinc/27/95/21/212279521.db2.gz RLRCGVABXGOVSX-UHFFFAOYSA-N 1 2 335.407 3.096 40 0 EGABLO COc1ccc(C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C2CC2)cc1 ZINC000022135251 212279524 /nfs/dbraw/zinc/27/95/24/212279524.db2.gz RLRCGVABXGOVSX-UHFFFAOYSA-N 1 2 335.407 3.096 40 0 EGABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)COc1ccc(C)cc1 ZINC000226260292 242092502 /nfs/dbraw/zinc/09/25/02/242092502.db2.gz IHGKARGQWUGARH-UHFFFAOYSA-N 1 2 327.428 3.441 40 0 EGABLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cnccn3)C2)c2ccccc12 ZINC000257215459 244166251 /nfs/dbraw/zinc/16/62/51/244166251.db2.gz CQERQLGVTLZAHA-HXUWFJFHSA-N 1 2 335.407 3.212 40 0 EGABLO COc1ccc(C[N@H+]2CCO[C@@H](c3cnccn3)C2)c2ccccc12 ZINC000257215459 244166256 /nfs/dbraw/zinc/16/62/56/244166256.db2.gz CQERQLGVTLZAHA-HXUWFJFHSA-N 1 2 335.407 3.212 40 0 EGABLO COc1ccc(C2(C(=O)N3CCC[C@H]3c3[nH+]c(C)cn3C)CC2)cc1 ZINC000257217527 244170189 /nfs/dbraw/zinc/17/01/89/244170189.db2.gz CZIWXBWRTUJDJJ-KRWDZBQOSA-N 1 2 339.439 3.132 40 0 EGABLO Cc1cc(CC2CCN(C(=O)c3n[nH]c4ccccc43)CC2)cc[nH+]1 ZINC000257250586 244268260 /nfs/dbraw/zinc/26/82/60/244268260.db2.gz JNDYNNKKKOZBTF-UHFFFAOYSA-N 1 2 334.423 3.361 40 0 EGABLO CCCn1ccnc1C[NH+]1CC2(C1)CO[C@@H](Cc1ccc(F)cc1)C2 ZINC000257258956 244289980 /nfs/dbraw/zinc/28/99/80/244289980.db2.gz KWFHBGHCRGGNHN-SFHVURJKSA-N 1 2 343.446 3.266 40 0 EGABLO CCCn1cc[nH+]c1CN1CC2(C1)CO[C@@H](Cc1ccc(F)cc1)C2 ZINC000257258956 244289985 /nfs/dbraw/zinc/28/99/85/244289985.db2.gz KWFHBGHCRGGNHN-SFHVURJKSA-N 1 2 343.446 3.266 40 0 EGABLO Cc1[nH+]c([C@@]2(C)CCCN(C(=O)c3cncs3)C2)c2sccn12 ZINC000257259654 244292763 /nfs/dbraw/zinc/29/27/63/244292763.db2.gz KZIUSJUIKOJMIH-INIZCTEOSA-N 1 2 346.481 3.355 40 0 EGABLO Cc1cc(CC2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)CC2)cc[nH+]1 ZINC000257262791 244352868 /nfs/dbraw/zinc/35/28/68/244352868.db2.gz LMXSAKUZXWRNLJ-UHFFFAOYSA-N 1 2 345.830 3.239 40 0 EGABLO O=c1cc2c(nn1C[NH+]1CCC(CC3CCCCC3)CC1)CCC2 ZINC000094993216 218271676 /nfs/dbraw/zinc/27/16/76/218271676.db2.gz LHZNLOPCJNOWSS-UHFFFAOYSA-N 1 2 329.488 3.372 40 0 EGABLO Cc1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)o1 ZINC000097374079 219017547 /nfs/dbraw/zinc/01/75/47/219017547.db2.gz JUJRHBKOHFTYLS-QMTHXVAHSA-N 1 2 337.217 3.228 40 0 EGABLO CCN(C[C@@H]1CCOC1)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000079034370 257835212 /nfs/dbraw/zinc/83/52/12/257835212.db2.gz FXZNOEOJZSUTTB-HNNXBMFYSA-N 1 2 326.396 3.373 40 0 EGABLO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000057406236 132200569 /nfs/dbraw/zinc/20/05/69/132200569.db2.gz PZOGNLKLWGNPRM-OAHLLOKOSA-N 1 2 343.858 3.489 40 0 EGABLO COc1ccc([C@H]2Cn3c(C)c[nH+]c3CN2Cc2cscn2)cc1 ZINC000257303610 277430370 /nfs/dbraw/zinc/43/03/70/277430370.db2.gz SHXQHAQYLYJLLJ-QGZVFWFLSA-N 1 2 340.452 3.414 40 0 EGABLO Cc1nc(N2CCC[C@@H](c3nnc4ccccn43)C2)c2c([nH+]1)CCCC2 ZINC000242263353 282010120 /nfs/dbraw/zinc/01/01/20/282010120.db2.gz XYIFVAWYCVPORU-OAHLLOKOSA-N 1 2 348.454 3.091 40 0 EGABLO Cc1[nH+]c([C@H]2CCCCN2C(=O)C2CCOCC2)c2sccn12 ZINC000257308661 302637519 /nfs/dbraw/zinc/63/75/19/302637519.db2.gz TXPJASMMYOXQJN-CQSZACIVSA-N 1 2 333.457 3.184 40 0 EGABLO CC1CC[NH+](Cc2csc(NC(=O)[C@H]3CCCS3)n2)CC1 ZINC000096435940 454347738 /nfs/dbraw/zinc/34/77/38/454347738.db2.gz QFSRUKBPCJGGKL-CYBMUJFWSA-N 1 2 325.503 3.209 40 0 EGABLO CC(=O)c1c(C)[nH]c(C(=O)OCc2cn3cc(C)ccc3[nH+]2)c1C ZINC000008424846 453203763 /nfs/dbraw/zinc/20/37/63/453203763.db2.gz JNJZDBHNMSHPPS-UHFFFAOYSA-N 1 2 325.368 3.147 40 0 EGABLO COc1ccc(-c2csc(NC(=O)[C@H](C)n3cc[nH+]c3)n2)cc1F ZINC000019080690 453653542 /nfs/dbraw/zinc/65/35/42/453653542.db2.gz RMBHCCKBJWUJMK-JTQLQIEISA-N 1 2 346.387 3.354 40 0 EGABLO C[C@H]1CCC[N@H+](Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000022892739 453701528 /nfs/dbraw/zinc/70/15/28/453701528.db2.gz UHSLMJIXAJGPFP-NSHDSACASA-N 1 2 334.420 3.161 40 0 EGABLO C[C@H]1CCC[N@@H+](Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000022892739 453701532 /nfs/dbraw/zinc/70/15/32/453701532.db2.gz UHSLMJIXAJGPFP-NSHDSACASA-N 1 2 334.420 3.161 40 0 EGABLO CN(C)c1ncccc1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000031691148 453852177 /nfs/dbraw/zinc/85/21/77/453852177.db2.gz SDDUPDWPNVZYFU-UHFFFAOYSA-N 1 2 349.438 3.476 40 0 EGABLO Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@@H](C)n3cc[nH+]c3)cc2)n1 ZINC000081741509 453906576 /nfs/dbraw/zinc/90/65/76/453906576.db2.gz MONIBUOPDRBWHB-JKSUJKDBSA-N 1 2 337.427 3.124 40 0 EGABLO CC(C)Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccccc1N(C)C ZINC000075765055 453925210 /nfs/dbraw/zinc/92/52/10/453925210.db2.gz DBUUCGGXLHPQAL-SFHVURJKSA-N 1 2 327.476 3.337 40 0 EGABLO CC(C)Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccccc1N(C)C ZINC000075765055 453925214 /nfs/dbraw/zinc/92/52/14/453925214.db2.gz DBUUCGGXLHPQAL-SFHVURJKSA-N 1 2 327.476 3.337 40 0 EGABLO CN(Cc1nnc(-c2ccco2)o1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000075915045 453938980 /nfs/dbraw/zinc/93/89/80/453938980.db2.gz RPHKFRYOYBZLBT-UHFFFAOYSA-N 1 2 349.394 3.206 40 0 EGABLO O=C(Nc1cccc(-n2cccn2)c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000088361704 454101059 /nfs/dbraw/zinc/10/10/59/454101059.db2.gz GHUKSDLHHADXFZ-MRXNPFEDSA-N 1 2 336.399 3.355 40 0 EGABLO Cc1csc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000088579653 454113306 /nfs/dbraw/zinc/11/33/06/454113306.db2.gz ZHSXORNQSSFYIE-UHFFFAOYSA-N 1 2 349.887 3.453 40 0 EGABLO Cc1csc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000088579653 454113309 /nfs/dbraw/zinc/11/33/09/454113309.db2.gz ZHSXORNQSSFYIE-UHFFFAOYSA-N 1 2 349.887 3.453 40 0 EGABLO Cc1cc(C)cc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000044900440 454125938 /nfs/dbraw/zinc/12/59/38/454125938.db2.gz SCECHYDPERYOKJ-UHFFFAOYSA-N 1 2 335.407 3.184 40 0 EGABLO Cc1ncsc1C[N@H+]1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC000096041621 454266754 /nfs/dbraw/zinc/26/67/54/454266754.db2.gz LNSIJQSJVJOWIS-LZLYRXPVSA-N 1 2 336.501 3.390 40 0 EGABLO Cc1ncsc1C[N@@H+]1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC000096041621 454266750 /nfs/dbraw/zinc/26/67/50/454266750.db2.gz LNSIJQSJVJOWIS-LZLYRXPVSA-N 1 2 336.501 3.390 40 0 EGABLO Cn1ncc2c1C[N@H+](Cc1ccc(F)cc1)C[C@@H]2COCC1CC1 ZINC000096044641 454267779 /nfs/dbraw/zinc/26/77/79/454267779.db2.gz IFEGMJQGRURPJA-MRXNPFEDSA-N 1 2 329.419 3.085 40 0 EGABLO Cn1ncc2c1C[N@@H+](Cc1ccc(F)cc1)C[C@@H]2COCC1CC1 ZINC000096044641 454267785 /nfs/dbraw/zinc/26/77/85/454267785.db2.gz IFEGMJQGRURPJA-MRXNPFEDSA-N 1 2 329.419 3.085 40 0 EGABLO Cn1cnc2c1[C@@H](COCc1ccccc1)[N@H+](Cc1cccnc1)CC2 ZINC000096187733 454300052 /nfs/dbraw/zinc/30/00/52/454300052.db2.gz RFCZKNRWLLVJLE-HXUWFJFHSA-N 1 2 348.450 3.131 40 0 EGABLO Cn1cnc2c1[C@@H](COCc1ccccc1)[N@@H+](Cc1cccnc1)CC2 ZINC000096187733 454300058 /nfs/dbraw/zinc/30/00/58/454300058.db2.gz RFCZKNRWLLVJLE-HXUWFJFHSA-N 1 2 348.450 3.131 40 0 EGABLO Cn1c[nH+]c2c1[C@@H](COCc1ccccc1)N(Cc1cccnc1)CC2 ZINC000096187733 454300064 /nfs/dbraw/zinc/30/00/64/454300064.db2.gz RFCZKNRWLLVJLE-HXUWFJFHSA-N 1 2 348.450 3.131 40 0 EGABLO C[N@@H+](Cc1cn2c(n1)CN(Cc1ccsc1)CC2)Cc1ccco1 ZINC000096197465 454301406 /nfs/dbraw/zinc/30/14/06/454301406.db2.gz BOUQIEWNFNOMHP-UHFFFAOYSA-N 1 2 342.468 3.185 40 0 EGABLO C[N@H+](Cc1cn2c(n1)CN(Cc1ccsc1)CC2)Cc1ccco1 ZINC000096197465 454301412 /nfs/dbraw/zinc/30/14/12/454301412.db2.gz BOUQIEWNFNOMHP-UHFFFAOYSA-N 1 2 342.468 3.185 40 0 EGABLO CCOC[C@@H]1c2c(cnn2CC2CC2)CC[N@H+]1Cc1scnc1C ZINC000096197887 454301502 /nfs/dbraw/zinc/30/15/02/454301502.db2.gz GFXLOPQMTBMNOJ-MRXNPFEDSA-N 1 2 346.500 3.194 40 0 EGABLO CCOC[C@@H]1c2c(cnn2CC2CC2)CC[N@@H+]1Cc1scnc1C ZINC000096197887 454301508 /nfs/dbraw/zinc/30/15/08/454301508.db2.gz GFXLOPQMTBMNOJ-MRXNPFEDSA-N 1 2 346.500 3.194 40 0 EGABLO O=C(c1ccsc1)N1CC[C@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216684 454307620 /nfs/dbraw/zinc/30/76/20/454307620.db2.gz VJPVYXKKFJMXBP-GOSISDBHSA-N 1 2 327.453 3.276 40 0 EGABLO Cc1nc(-c2cc(C(=O)N[C@H]3CCC[C@@H]3n3cc[nH+]c3)co2)cs1 ZINC000096403371 454322713 /nfs/dbraw/zinc/32/27/13/454322713.db2.gz VWAVDAIUEMSJRC-ZFWWWQNUSA-N 1 2 342.424 3.432 40 0 EGABLO CCc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000096410213 454328168 /nfs/dbraw/zinc/32/81/68/454328168.db2.gz HATRPXXRGIPOMK-INIZCTEOSA-N 1 2 336.395 3.400 40 0 EGABLO CSc1cccc([C@@H]([NH2+][C@H]2CCNC2=O)c2ccc(F)cc2F)c1 ZINC000096482615 454364767 /nfs/dbraw/zinc/36/47/67/454364767.db2.gz CTSFUBFUTVQLIS-DLBZAZTESA-N 1 2 348.418 3.254 40 0 EGABLO Cc1nc(N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc[nH+]1 ZINC000154223963 454875968 /nfs/dbraw/zinc/87/59/68/454875968.db2.gz PXWKKAXLNULFHY-CQSZACIVSA-N 1 2 339.443 3.214 40 0 EGABLO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000253392375 455836948 /nfs/dbraw/zinc/83/69/48/455836948.db2.gz LGSMUSJCRQMFSV-ZDUSSCGKSA-N 1 2 332.473 3.332 40 0 EGABLO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000253392375 455836952 /nfs/dbraw/zinc/83/69/52/455836952.db2.gz LGSMUSJCRQMFSV-ZDUSSCGKSA-N 1 2 332.473 3.332 40 0 EGABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2ccsc2)cc1 ZINC000257297547 455884771 /nfs/dbraw/zinc/88/47/71/455884771.db2.gz RHTAKXQHTKOAJQ-MRXNPFEDSA-N 1 2 339.420 3.351 40 0 EGABLO CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H]1c1cc[nH+]c(NC)c1 ZINC000257294629 455885094 /nfs/dbraw/zinc/88/50/94/455885094.db2.gz QUZPYGJJCHXHBP-INIZCTEOSA-N 1 2 341.459 3.440 40 0 EGABLO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2F)n1 ZINC000257309470 455887805 /nfs/dbraw/zinc/88/78/05/455887805.db2.gz UBAZVJTYUMLMPS-LJQANCHMSA-N 1 2 345.393 3.333 40 0 EGABLO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2F)n1 ZINC000257309470 455887810 /nfs/dbraw/zinc/88/78/10/455887810.db2.gz UBAZVJTYUMLMPS-LJQANCHMSA-N 1 2 345.393 3.333 40 0 EGABLO Cn1c(C[N@@H+]2CCCC[C@@H]2c2ccn3nccc3n2)nc2ccccc21 ZINC000257313690 455889465 /nfs/dbraw/zinc/88/94/65/455889465.db2.gz UTRJLAVOINSMOQ-GOSISDBHSA-N 1 2 346.438 3.343 40 0 EGABLO Cn1c(C[N@H+]2CCCC[C@@H]2c2ccn3nccc3n2)nc2ccccc21 ZINC000257313690 455889470 /nfs/dbraw/zinc/88/94/70/455889470.db2.gz UTRJLAVOINSMOQ-GOSISDBHSA-N 1 2 346.438 3.343 40 0 EGABLO Cc1ccc([C@H](C)CC[N@@H+]2CC(F)(F)C[C@@]3(CCCNC3=O)C2)o1 ZINC000306143139 456568102 /nfs/dbraw/zinc/56/81/02/456568102.db2.gz XUKKQELTKZWKNJ-DYVFJYSZSA-N 1 2 340.414 3.319 40 0 EGABLO Cc1ccc([C@H](C)CC[N@H+]2CC(F)(F)C[C@@]3(CCCNC3=O)C2)o1 ZINC000306143139 456568106 /nfs/dbraw/zinc/56/81/06/456568106.db2.gz XUKKQELTKZWKNJ-DYVFJYSZSA-N 1 2 340.414 3.319 40 0 EGABLO Cc1[nH+]c2ccc(C(=O)N3CCC(C)=C(Br)C3)cc2n1C ZINC000390834987 457446667 /nfs/dbraw/zinc/44/66/67/457446667.db2.gz AFAALJGSKBBSPB-UHFFFAOYSA-N 1 2 348.244 3.397 40 0 EGABLO Cc1cccnc1CN1CCn2c(CCOCC3CC3)c[nH+]c2[C@H]1C ZINC000585098203 459822956 /nfs/dbraw/zinc/82/29/56/459822956.db2.gz RZBLPIRNDVNWHX-MRXNPFEDSA-N 1 2 340.471 3.132 40 0 EGABLO O=C(CC1CCCCC1)N1CCc2[nH+]cc(-c3cccnc3)n2CC1 ZINC000585111107 459826523 /nfs/dbraw/zinc/82/65/23/459826523.db2.gz DWDWOQRZVSOFIR-UHFFFAOYSA-N 1 2 338.455 3.300 40 0 EGABLO Cc1cccc(NC(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)c1 ZINC000224141906 547247526 /nfs/dbraw/zinc/24/75/26/547247526.db2.gz VYBBJJHSRRDSLL-UHFFFAOYSA-N 1 2 340.431 3.095 40 0 EGABLO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000003408900 210031608 /nfs/dbraw/zinc/03/16/08/210031608.db2.gz GUZUWACPAKBTJM-UHFFFAOYSA-N 1 2 336.391 3.143 40 0 EGABLO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000003408900 210031611 /nfs/dbraw/zinc/03/16/11/210031611.db2.gz GUZUWACPAKBTJM-UHFFFAOYSA-N 1 2 336.391 3.143 40 0 EGABLO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H](C(N)=O)c1ccccc1 ZINC000036393116 213095796 /nfs/dbraw/zinc/09/57/96/213095796.db2.gz DJAZFUFCPCQWMB-OAHLLOKOSA-N 1 2 338.329 3.244 40 0 EGABLO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H](C(N)=O)c1ccccc1 ZINC000036393116 213095799 /nfs/dbraw/zinc/09/57/99/213095799.db2.gz DJAZFUFCPCQWMB-OAHLLOKOSA-N 1 2 338.329 3.244 40 0 EGABLO Cc1nc(N2CCC[C@H]2c2ccnc(Nc3ncccn3)c2)cc[nH+]1 ZINC000072369092 216176280 /nfs/dbraw/zinc/17/62/80/216176280.db2.gz LLSAWRZUWLWDDV-HNNXBMFYSA-N 1 2 333.399 3.055 40 0 EGABLO O=C(COc1ccc(Cl)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020481668 212136998 /nfs/dbraw/zinc/13/69/98/212136998.db2.gz DRMSLGOIKWSEON-UHFFFAOYSA-N 1 2 341.798 3.221 40 0 EGABLO CCc1ccc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000020454439 212132186 /nfs/dbraw/zinc/13/21/86/212132186.db2.gz UEIQNMURXNHFSY-UHFFFAOYSA-N 1 2 335.407 3.130 40 0 EGABLO C[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000020456488 212132269 /nfs/dbraw/zinc/13/22/69/212132269.db2.gz FQIWWOJDMXRAPI-OAHLLOKOSA-N 1 2 342.414 3.149 40 0 EGABLO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCn1cc[nH+]c1 ZINC000020456298 212131991 /nfs/dbraw/zinc/13/19/91/212131991.db2.gz CCMFFELGIHACHS-IBGZPJMESA-N 1 2 337.423 3.400 40 0 EGABLO COc1ccc(CN2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)c2ccccc12 ZINC000257211890 244151817 /nfs/dbraw/zinc/15/18/17/244151817.db2.gz CAYPYAKKRAOHMU-GOSISDBHSA-N 1 2 337.423 3.453 40 0 EGABLO CN(C(=O)c1cccc2cccnc21)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257215973 244168413 /nfs/dbraw/zinc/16/84/13/244168413.db2.gz CSMQLTGCBYAFRU-KRWDZBQOSA-N 1 2 346.434 3.371 40 0 EGABLO CC(=O)N1CN(CCCn2cc[nH+]c2)Cc2c3c(sc21)CCCC3 ZINC000020192336 212110231 /nfs/dbraw/zinc/11/02/31/212110231.db2.gz QIILTRNEKPXBFX-UHFFFAOYSA-N 1 2 344.484 3.040 40 0 EGABLO COc1ccc(NC(=O)[C@]2(C)CCCN(c3cc(C)[nH+]cn3)C2)cc1 ZINC000257238870 244239671 /nfs/dbraw/zinc/23/96/71/244239671.db2.gz HMWQQTUMPSOSMG-LJQANCHMSA-N 1 2 340.427 3.039 40 0 EGABLO O=C(Cc1cccc(F)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019934980 212086357 /nfs/dbraw/zinc/08/63/57/212086357.db2.gz OBRVFVJORQQROV-WEVVVXLNSA-N 1 2 338.426 3.226 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)cc[nH+]1 ZINC000257331187 244550912 /nfs/dbraw/zinc/55/09/12/244550912.db2.gz XRSWWJFHWGGZFL-INIZCTEOSA-N 1 2 342.443 3.067 40 0 EGABLO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2cnc(C)nc2)on1 ZINC000019120975 212001056 /nfs/dbraw/zinc/00/10/56/212001056.db2.gz LYPHUZGQFSKCKM-MRXNPFEDSA-N 1 2 338.415 3.199 40 0 EGABLO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2cnc(C)nc2)on1 ZINC000019120975 212001058 /nfs/dbraw/zinc/00/10/58/212001058.db2.gz LYPHUZGQFSKCKM-MRXNPFEDSA-N 1 2 338.415 3.199 40 0 EGABLO COc1ccccc1[C@H](NC(=O)N(C(C)C)C(C)C)c1[nH+]ccn1C ZINC000012220166 211322210 /nfs/dbraw/zinc/32/22/10/211322210.db2.gz NGYXBBLUSWDBHY-KRWDZBQOSA-N 1 2 344.459 3.347 40 0 EGABLO COc1ccc([C@H](NC(=O)N(C(C)C)C(C)C)c2[nH+]ccn2C)cc1 ZINC000012114916 211294486 /nfs/dbraw/zinc/29/44/86/211294486.db2.gz LXYODFTXDPMSBV-KRWDZBQOSA-N 1 2 344.459 3.347 40 0 EGABLO COc1cccc(C[NH+]2CCC(c3ccn[nH]3)CC2)c1OC(F)F ZINC000092810859 218170733 /nfs/dbraw/zinc/17/07/33/218170733.db2.gz WAURFJFMUWUGKC-UHFFFAOYSA-N 1 2 337.370 3.399 40 0 EGABLO CC[C@H](NC(=O)NCc1cn2c(cccc2C)[nH+]1)c1c(C)noc1C ZINC000095441276 218385174 /nfs/dbraw/zinc/38/51/74/218385174.db2.gz MZLVEDVXBHWSSF-HNNXBMFYSA-N 1 2 341.415 3.198 40 0 EGABLO COCC[NH+](CCOC)[C@H](C(=O)Cc1ccccc1)c1ccccc1 ZINC000006482990 210637395 /nfs/dbraw/zinc/63/73/95/210637395.db2.gz DCMKAWDMUNJOBN-NRFANRHFSA-N 1 2 341.451 3.134 40 0 EGABLO Cc1cc(NC(=O)CCc2ccc(C)o2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000096482575 218857914 /nfs/dbraw/zinc/85/79/14/218857914.db2.gz HTDCAYUWSFMUPT-UHFFFAOYSA-N 1 2 339.399 3.060 40 0 EGABLO C[C@H]1CCN(C(=O)Nc2cccc(OCCF)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123149948 222225766 /nfs/dbraw/zinc/22/57/66/222225766.db2.gz IRKHFQURCCYDAG-YOEHRIQHSA-N 1 2 346.406 3.346 40 0 EGABLO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000016035460 453592175 /nfs/dbraw/zinc/59/21/75/453592175.db2.gz LKESYTWSCKOIMC-GMTAPVOTSA-N 1 2 331.243 3.430 40 0 EGABLO CC[C@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000097374028 323215729 /nfs/dbraw/zinc/21/57/29/323215729.db2.gz BZZMJZFDHNQCFP-MNOVXSKESA-N 1 2 349.422 3.461 40 0 EGABLO CCOC(=O)c1c(NN)[nH+]nc(-c2ccccc2)c1-c1ccccc1 ZINC000005473692 452876870 /nfs/dbraw/zinc/87/68/70/452876870.db2.gz ONMFCJONARNSJB-UHFFFAOYSA-N 1 2 334.379 3.273 40 0 EGABLO CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000012629686 453386426 /nfs/dbraw/zinc/38/64/26/453386426.db2.gz KCGAWOKCQQXZEB-CQSZACIVSA-N 1 2 348.406 3.322 40 0 EGABLO Cc1cccc(C[N@@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)c1 ZINC000012666971 453390022 /nfs/dbraw/zinc/39/00/22/453390022.db2.gz OSAZAGGUGWFSBJ-UHFFFAOYSA-N 1 2 334.423 3.179 40 0 EGABLO Cc1cccc(C[N@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)c1 ZINC000012666971 453390028 /nfs/dbraw/zinc/39/00/28/453390028.db2.gz OSAZAGGUGWFSBJ-UHFFFAOYSA-N 1 2 334.423 3.179 40 0 EGABLO CC(=O)c1cccc(NC(=O)C[N@H+](C)CCOc2ccc(C)cc2)c1 ZINC000014095902 453505082 /nfs/dbraw/zinc/50/50/82/453505082.db2.gz ADAGQEFQZUABCU-UHFFFAOYSA-N 1 2 340.423 3.147 40 0 EGABLO CC(=O)c1cccc(NC(=O)C[N@@H+](C)CCOc2ccc(C)cc2)c1 ZINC000014095902 453505090 /nfs/dbraw/zinc/50/50/90/453505090.db2.gz ADAGQEFQZUABCU-UHFFFAOYSA-N 1 2 340.423 3.147 40 0 EGABLO C[C@H](C(=O)Nc1ncc(Cc2ccccc2F)s1)n1cc[nH+]c1 ZINC000019080766 453653639 /nfs/dbraw/zinc/65/36/39/453653639.db2.gz UWVOLPDTOYWNEV-LLVKDONJSA-N 1 2 330.388 3.269 40 0 EGABLO CC[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000044935460 454127353 /nfs/dbraw/zinc/12/73/53/454127353.db2.gz OBDHYGMLUCVGEI-FQEVSTJZSA-N 1 2 338.451 3.400 40 0 EGABLO COc1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000058177980 454168624 /nfs/dbraw/zinc/16/86/24/454168624.db2.gz BEZZSJBVZZKKOH-UHFFFAOYSA-N 1 2 335.407 3.130 40 0 EGABLO Cc1ccc([C@H]([NH3+])c2nc(COc3ccc(Cl)cc3)n[nH]2)cc1 ZINC000095534076 454230937 /nfs/dbraw/zinc/23/09/37/454230937.db2.gz NKOHFFYTTLKZGL-INIZCTEOSA-N 1 2 328.803 3.394 40 0 EGABLO COC[C@@H]1C[N@H+](Cc2ccc(F)cc2)Cc2nn(CC3CC3)cc21 ZINC000096060454 454275995 /nfs/dbraw/zinc/27/59/95/454275995.db2.gz HNMKPDXBESCCOY-INIZCTEOSA-N 1 2 329.419 3.178 40 0 EGABLO COC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2nn(CC3CC3)cc21 ZINC000096060454 454275999 /nfs/dbraw/zinc/27/59/99/454275999.db2.gz HNMKPDXBESCCOY-INIZCTEOSA-N 1 2 329.419 3.178 40 0 EGABLO Cc1cccnc1C[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3ccccc3o2)C1 ZINC000096112105 454286702 /nfs/dbraw/zinc/28/67/02/454286702.db2.gz XNDZBONEQCWPRG-KDOFPFPSSA-N 1 2 341.386 3.270 40 0 biogenic,in-vitro EGABLO Cc1cccnc1C[N@H+]1C[C@@H](F)[C@@H](OCc2nc3ccccc3o2)C1 ZINC000096112105 454286706 /nfs/dbraw/zinc/28/67/06/454286706.db2.gz XNDZBONEQCWPRG-KDOFPFPSSA-N 1 2 341.386 3.270 40 0 biogenic,in-vitro EGABLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCO[C@@H](c3ccccc3)C2)c1 ZINC000096411822 454329104 /nfs/dbraw/zinc/32/91/04/454329104.db2.gz PNKQMSQQGCZMAN-HXUWFJFHSA-N 1 2 347.418 3.394 40 0 EGABLO CSc1cccc([C@@H]([NH2+][C@@H]2CCNC2=O)c2ccc(F)cc2F)c1 ZINC000096482613 454365052 /nfs/dbraw/zinc/36/50/52/454365052.db2.gz CTSFUBFUTVQLIS-IAGOWNOFSA-N 1 2 348.418 3.254 40 0 EGABLO CO[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000079256006 454388107 /nfs/dbraw/zinc/38/81/07/454388107.db2.gz PRJDRENBKGMYBQ-LJQANCHMSA-N 1 2 339.439 3.076 40 0 EGABLO Cc1noc(C)c1C[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000134707694 454580754 /nfs/dbraw/zinc/58/07/54/454580754.db2.gz RBAPTCCBUVSBDX-ROUUACIJSA-N 1 2 349.862 3.106 40 0 EGABLO Cc1noc(C)c1CN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000134707694 454580756 /nfs/dbraw/zinc/58/07/56/454580756.db2.gz RBAPTCCBUVSBDX-ROUUACIJSA-N 1 2 349.862 3.106 40 0 EGABLO Cc1noc(C)c1CN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000134707694 454580761 /nfs/dbraw/zinc/58/07/61/454580761.db2.gz RBAPTCCBUVSBDX-ROUUACIJSA-N 1 2 349.862 3.106 40 0 EGABLO Cc1cc(OC(F)F)c(C(=O)NCc2ccc[nH+]c2N(C)C)s1 ZINC000074693062 454621766 /nfs/dbraw/zinc/62/17/66/454621766.db2.gz WASPKPXCYBTNAF-UHFFFAOYSA-N 1 2 341.383 3.049 40 0 EGABLO Fc1cccnc1O[C@@H]1CCOC2(C[NH+](Cc3cccs3)C2)C1 ZINC000247493945 455611535 /nfs/dbraw/zinc/61/15/35/455611535.db2.gz CMLCNAJEJFVNHZ-CYBMUJFWSA-N 1 2 334.416 3.095 40 0 EGABLO COc1cccc(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)c1F ZINC000192953244 455725079 /nfs/dbraw/zinc/72/50/79/455725079.db2.gz ZKSHRTWRPPFLMA-UHFFFAOYSA-N 1 2 348.443 3.244 40 0 EGABLO COc1cccc(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)c1F ZINC000192953244 455725081 /nfs/dbraw/zinc/72/50/81/455725081.db2.gz ZKSHRTWRPPFLMA-UHFFFAOYSA-N 1 2 348.443 3.244 40 0 EGABLO Fc1cc(F)cc(C[NH+]2CC3(C2)CO[C@H](Cc2cccnc2)C3)c1 ZINC000257290300 455884143 /nfs/dbraw/zinc/88/41/43/455884143.db2.gz QCIMCLGEERMCDJ-GOSISDBHSA-N 1 2 330.378 3.193 40 0 EGABLO CC(C)(C)CC(=O)N1CCC[C@@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257297022 455885153 /nfs/dbraw/zinc/88/51/53/455885153.db2.gz RFLATVJADYSHIS-GOSISDBHSA-N 1 2 345.487 3.014 40 0 EGABLO COc1ccccc1[C@H]1Cn2c(C)c[nH+]c2CN1Cc1cc(C)on1 ZINC000257294351 455885201 /nfs/dbraw/zinc/88/52/01/455885201.db2.gz QTSKULYKWQDDMO-QGZVFWFLSA-N 1 2 338.411 3.254 40 0 EGABLO Cc1n[nH]c(C)c1CCC(=O)N1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257310367 455889035 /nfs/dbraw/zinc/88/90/35/455889035.db2.gz UEUVUHTWKYJVOP-UHFFFAOYSA-N 1 2 340.471 3.144 40 0 EGABLO CN(C)c1cc([C@@H]2CCCN2C(=O)CCOc2ccccc2)cc[nH+]1 ZINC000257319773 455890006 /nfs/dbraw/zinc/89/00/06/455890006.db2.gz VTZPARMHFAIMBL-SFHVURJKSA-N 1 2 339.439 3.280 40 0 EGABLO Fc1ccc(C[NH+]2CC3(C2)CO[C@H](Cc2cccnc2)C3)c(F)c1 ZINC000257317172 455890228 /nfs/dbraw/zinc/89/02/28/455890228.db2.gz VIRCYABABMCFKO-QGZVFWFLSA-N 1 2 330.378 3.193 40 0 EGABLO CNc1cc([C@H]2CCCN2C(=O)CCOc2ccccc2)cc[nH+]1 ZINC000257332279 455894047 /nfs/dbraw/zinc/89/40/47/455894047.db2.gz XWNSPZZDWFXPRT-QGZVFWFLSA-N 1 2 325.412 3.256 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)c3cn4c(cccc4C)n3)C2)cc[nH+]1 ZINC000257335575 455894175 /nfs/dbraw/zinc/89/41/75/455894175.db2.gz YKUSLZRGHSLNPQ-MRXNPFEDSA-N 1 2 349.438 3.099 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)Cc3ccc(C)s3)C2)cc[nH+]1 ZINC000257339112 455895417 /nfs/dbraw/zinc/89/54/17/455895417.db2.gz ZAGMSUDYDDSHDN-HNNXBMFYSA-N 1 2 329.469 3.442 40 0 EGABLO COc1ccc(Cn2ccnc2SCc2cc[nH+]c(N)c2)cc1 ZINC000225689798 456103909 /nfs/dbraw/zinc/10/39/09/456103909.db2.gz ZKCDEDTXLBUQDS-UHFFFAOYSA-N 1 2 326.425 3.210 40 0 EGABLO Fc1ccc(-c2nc(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)no2)c(F)c1 ZINC000189092105 456223961 /nfs/dbraw/zinc/22/39/61/456223961.db2.gz LMIDNFLOTKDASP-IAQYHMDHSA-N 1 2 335.354 3.016 40 0 EGABLO Fc1ccc(-c2nc(C[N@H+]3CC[C@H]4OCCC[C@@H]4C3)no2)c(F)c1 ZINC000189092105 456223965 /nfs/dbraw/zinc/22/39/65/456223965.db2.gz LMIDNFLOTKDASP-IAQYHMDHSA-N 1 2 335.354 3.016 40 0 EGABLO Cc1cccnc1CN1CCn2c(CCOCC3CC3)c[nH+]c2[C@@H]1C ZINC000585098202 459822935 /nfs/dbraw/zinc/82/29/35/459822935.db2.gz RZBLPIRNDVNWHX-INIZCTEOSA-N 1 2 340.471 3.132 40 0 EGABLO CCOc1cc2nn(-c3ccc([NH+](CC)CC)cc3)nc2cc1N ZINC000226264895 535692923 /nfs/dbraw/zinc/69/29/23/535692923.db2.gz RFZFDBNYTACWFT-UHFFFAOYSA-N 1 2 325.416 3.248 40 0 EGABLO COc1ccc2ccccc2c1CN1CCOC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000257340442 537042128 /nfs/dbraw/zinc/04/21/28/537042128.db2.gz ZGDMGINGCKXWKT-GOSISDBHSA-N 1 2 337.423 3.453 40 0 EGABLO CCCCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1(C)C ZINC000368456665 168359143 /nfs/dbraw/zinc/35/91/43/168359143.db2.gz BYOINRXQQMSGAR-FVQBIDKESA-N 1 2 333.476 3.272 40 0 EGABLO C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000038756792 213224587 /nfs/dbraw/zinc/22/45/87/213224587.db2.gz CLNDLMSAZLEJHM-MRXNPFEDSA-N 1 2 336.435 3.110 40 0 EGABLO CCCc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(C)cc3)CC2)n[nH]1 ZINC000036741150 213116242 /nfs/dbraw/zinc/11/62/42/213116242.db2.gz PFXIOPMLBVZWAN-INIZCTEOSA-N 1 2 340.471 3.190 40 0 EGABLO Cc1nc(N2CCC[C@@H]2c2ccnc(Nc3ncccn3)c2)cc[nH+]1 ZINC000072369091 216175993 /nfs/dbraw/zinc/17/59/93/216175993.db2.gz LLSAWRZUWLWDDV-OAHLLOKOSA-N 1 2 333.399 3.055 40 0 EGABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@H](OCc1cccnc1)CCO2 ZINC000253599682 244030773 /nfs/dbraw/zinc/03/07/73/244030773.db2.gz SQKHLVAYIXSJPW-QGZVFWFLSA-N 1 2 344.480 3.402 40 0 EGABLO Cc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2cncc(C)c2)CCO3)o1 ZINC000253602829 244034458 /nfs/dbraw/zinc/03/44/58/244034458.db2.gz FTSBCXBWUXESKS-GOSISDBHSA-N 1 2 342.439 3.242 40 0 EGABLO COc1ccccc1NC(=O)[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000257208679 244142314 /nfs/dbraw/zinc/14/23/14/244142314.db2.gz BNDVYPQTHUKGJP-LJQANCHMSA-N 1 2 340.427 3.039 40 0 EGABLO O=C(Cc1ccccc1F)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257216075 244166974 /nfs/dbraw/zinc/16/69/74/244166974.db2.gz CSZBPNPXYASZFN-SFHVURJKSA-N 1 2 335.382 3.348 40 0 EGABLO Cc1[nH+]c(C2(C)CCN(C(=O)c3ccccn3)CC2)c2sccn12 ZINC000257263050 244352581 /nfs/dbraw/zinc/35/25/81/244352581.db2.gz LODFWYBBNHTZRC-UHFFFAOYSA-N 1 2 340.452 3.293 40 0 EGABLO O=C(C[N@H+]1CCC[C@H](COc2ccc(F)cc2)C1)Nc1nccs1 ZINC000019657777 212054586 /nfs/dbraw/zinc/05/45/86/212054586.db2.gz GRRKPEJYTMIYGX-ZDUSSCGKSA-N 1 2 349.431 3.012 40 0 EGABLO O=C(C[N@@H+]1CCC[C@H](COc2ccc(F)cc2)C1)Nc1nccs1 ZINC000019657777 212054588 /nfs/dbraw/zinc/05/45/88/212054588.db2.gz GRRKPEJYTMIYGX-ZDUSSCGKSA-N 1 2 349.431 3.012 40 0 EGABLO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1nccs1 ZINC000078602453 217084422 /nfs/dbraw/zinc/08/44/22/217084422.db2.gz QLDVQTZPDPUGJM-CYBMUJFWSA-N 1 2 345.472 3.089 40 0 EGABLO CCOc1nnc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)s1 ZINC000078776772 217119956 /nfs/dbraw/zinc/11/99/56/217119956.db2.gz YBLGUFXOGZSCTO-LBPRGKRZSA-N 1 2 343.456 3.193 40 0 EGABLO CCOc1nnc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)s1 ZINC000078776772 217119961 /nfs/dbraw/zinc/11/99/61/217119961.db2.gz YBLGUFXOGZSCTO-LBPRGKRZSA-N 1 2 343.456 3.193 40 0 EGABLO Cc1ccc(Oc2ccc(NC(=O)NCCn3cc[nH+]c3)cc2)nc1 ZINC000079101766 217194287 /nfs/dbraw/zinc/19/42/87/217194287.db2.gz KWTJPBUOVXYJSN-UHFFFAOYSA-N 1 2 337.383 3.201 40 0 EGABLO CN(Cc1ccco1)C(=O)C[N@H+](C)[C@@H](c1ccccc1)c1ccccn1 ZINC000079354194 217214122 /nfs/dbraw/zinc/21/41/22/217214122.db2.gz BVKPMOGTSPDMET-NRFANRHFSA-N 1 2 349.434 3.354 40 0 EGABLO CN(Cc1ccco1)C(=O)C[N@@H+](C)[C@@H](c1ccccc1)c1ccccn1 ZINC000079354194 217214126 /nfs/dbraw/zinc/21/41/26/217214126.db2.gz BVKPMOGTSPDMET-NRFANRHFSA-N 1 2 349.434 3.354 40 0 EGABLO Cc1nn(C(C)C)c(C)c1NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000080600537 217318452 /nfs/dbraw/zinc/31/84/52/217318452.db2.gz KMKBORRUZURIIK-UHFFFAOYSA-N 1 2 332.452 3.255 40 0 EGABLO CCc1[nH]c2ccc(NC(=O)COc3ncnc4ccccc43)cc2[nH+]1 ZINC000012116921 211296547 /nfs/dbraw/zinc/29/65/47/211296547.db2.gz ALLKOQYBIWJCTK-UHFFFAOYSA-N 1 2 347.378 3.086 40 0 EGABLO C[C@H](NC(=O)N[C@@H](C)c1ccccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096437609 218818325 /nfs/dbraw/zinc/81/83/25/218818325.db2.gz FVNIQTFOSYBQFS-GJZGRUSLSA-N 1 2 335.411 3.389 40 0 EGABLO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000004991061 210353076 /nfs/dbraw/zinc/35/30/76/210353076.db2.gz JYNQHFJRKKOYOL-KRWDZBQOSA-N 1 2 339.391 3.123 40 0 EGABLO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000004991061 210353082 /nfs/dbraw/zinc/35/30/82/210353082.db2.gz JYNQHFJRKKOYOL-KRWDZBQOSA-N 1 2 339.391 3.123 40 0 EGABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2Cc2ccncc2C)cc1 ZINC000257299552 277929536 /nfs/dbraw/zinc/92/95/36/277929536.db2.gz RQMRWCXYBSJSLZ-IBGZPJMESA-N 1 2 334.423 3.352 40 0 EGABLO COc1ccccc1[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCCC1 ZINC000004968239 295386316 /nfs/dbraw/zinc/38/63/16/295386316.db2.gz WPGBDVAPOKIDRU-SFHVURJKSA-N 1 2 341.459 3.372 40 0 EGABLO C[C@H](C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000096407609 298070617 /nfs/dbraw/zinc/07/06/17/298070617.db2.gz SPMMPVKAUCXRAA-DOMZBBRYSA-N 1 2 335.860 3.414 40 0 EGABLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)o1 ZINC000097373724 323215476 /nfs/dbraw/zinc/21/54/76/323215476.db2.gz LBXCPBZOBSCYLQ-GHMZBOCLSA-N 1 2 329.379 3.423 40 0 EGABLO Cc1cnc([C@@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C2CC2)s1 ZINC000390835527 324284063 /nfs/dbraw/zinc/28/40/63/324284063.db2.gz PPOCGILRRAGDHT-HNNXBMFYSA-N 1 2 345.472 3.215 40 0 EGABLO Cc1cnc([C@@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C2CC2)s1 ZINC000390835527 324284069 /nfs/dbraw/zinc/28/40/69/324284069.db2.gz PPOCGILRRAGDHT-HNNXBMFYSA-N 1 2 345.472 3.215 40 0 EGABLO COc1ccc2c(c1)[C@@H](OC)[C@H]1c3c(cc4c(c3-2)OCO4)CC[N@H+]1C ZINC000001866277 452678115 /nfs/dbraw/zinc/67/81/15/452678115.db2.gz RRTPHPJGTHCVFW-RTBURBONSA-N 1 2 339.391 3.321 40 0 EGABLO COc1ccc2c(c1)[C@@H](OC)[C@H]1c3c(cc4c(c3-2)OCO4)CC[N@@H+]1C ZINC000001866277 452678124 /nfs/dbraw/zinc/67/81/24/452678124.db2.gz RRTPHPJGTHCVFW-RTBURBONSA-N 1 2 339.391 3.321 40 0 EGABLO Clc1ccc(-c2nc(N3CCOCC3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012143408 453347404 /nfs/dbraw/zinc/34/74/04/453347404.db2.gz PFQYCWNUTHGLBQ-UHFFFAOYSA-N 1 2 341.802 3.024 40 0 EGABLO O=C(CSc1ccccc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000013074107 453442185 /nfs/dbraw/zinc/44/21/85/453442185.db2.gz CUAJWRVBNJHNKE-UHFFFAOYSA-N 1 2 347.871 3.176 40 0 EGABLO Cc1nc(C[NH+]2CCN(c3nc4ccccc4nc3C)CC2)cs1 ZINC000030003828 453833275 /nfs/dbraw/zinc/83/32/75/453833275.db2.gz PVDRYILRGNNUHT-UHFFFAOYSA-N 1 2 339.468 3.025 40 0 EGABLO Cc1nn(Cc2[nH+]ccn2CC(F)(F)F)c(C)c1Br ZINC000076697408 454027109 /nfs/dbraw/zinc/02/71/09/454027109.db2.gz QWBCRUOMWKHNJC-UHFFFAOYSA-N 1 2 337.143 3.070 40 0 EGABLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc2ccccc2[nH]1 ZINC000044919335 454126949 /nfs/dbraw/zinc/12/69/49/454126949.db2.gz LIDMIXARPZYSQC-AWEZNQCLSA-N 1 2 345.406 3.299 40 0 EGABLO CC[C@@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2ccccc2)CC1 ZINC000057669834 454140099 /nfs/dbraw/zinc/14/00/99/454140099.db2.gz WMNGCLFCNFBSCP-KRWDZBQOSA-N 1 2 342.491 3.092 40 0 EGABLO CC[NH+](CC)Cc1nnc2sc(COc3c(C)cccc3C)nn12 ZINC000071260562 454204303 /nfs/dbraw/zinc/20/43/03/454204303.db2.gz RWQVVMUXGSXGDA-UHFFFAOYSA-N 1 2 345.472 3.223 40 0 EGABLO Fc1cccc(N2CCC[C@]3(C2)C[N@H+](Cc2ccncc2)CCO3)c1 ZINC000096049088 454271394 /nfs/dbraw/zinc/27/13/94/454271394.db2.gz LMAHTWITJHNVMD-HXUWFJFHSA-N 1 2 341.430 3.092 40 0 EGABLO Fc1cccc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccncc2)CCO3)c1 ZINC000096049088 454271398 /nfs/dbraw/zinc/27/13/98/454271398.db2.gz LMAHTWITJHNVMD-HXUWFJFHSA-N 1 2 341.430 3.092 40 0 EGABLO CCN(C[C@H]1CCN(C(=O)Nc2cc[nH+]cc2C)C1)CC(F)(F)F ZINC000120511706 454313115 /nfs/dbraw/zinc/31/31/15/454313115.db2.gz WKLFYQKZAIKRSA-CYBMUJFWSA-N 1 2 344.381 3.128 40 0 EGABLO Cc1ncc(CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000096439565 454348682 /nfs/dbraw/zinc/34/86/82/454348682.db2.gz IHXQKGZTBQKVDY-GFCCVEGCSA-N 1 2 341.440 3.198 40 0 EGABLO C[N@@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096484479 454366655 /nfs/dbraw/zinc/36/66/55/454366655.db2.gz ULOIVMRSIJDOKF-CVEARBPZSA-N 1 2 333.794 3.049 40 0 EGABLO C[N@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096484479 454366657 /nfs/dbraw/zinc/36/66/57/454366657.db2.gz ULOIVMRSIJDOKF-CVEARBPZSA-N 1 2 333.794 3.049 40 0 EGABLO C[C@H]([NH2+]Cc1nc2ccccc2o1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096491996 454369759 /nfs/dbraw/zinc/36/97/59/454369759.db2.gz PKYDTQPVTBOSFI-NSHDSACASA-N 1 2 348.399 3.221 40 0 EGABLO C[C@@H]([NH2+]Cc1nc2ccccc2o1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096491997 454369813 /nfs/dbraw/zinc/36/98/13/454369813.db2.gz PKYDTQPVTBOSFI-LLVKDONJSA-N 1 2 348.399 3.221 40 0 EGABLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000097233873 454428576 /nfs/dbraw/zinc/42/85/76/454428576.db2.gz SEQQJUWCRNUFSG-UGSOOPFHSA-N 1 2 348.878 3.096 40 0 EGABLO CN(Cc1nc2ccccc2s1)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000048234559 454460634 /nfs/dbraw/zinc/46/06/34/454460634.db2.gz SBFCRHOEKZPFGU-UHFFFAOYSA-N 1 2 349.419 3.149 40 0 EGABLO Cc1nc(C[N@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)no1 ZINC000134055067 454498209 /nfs/dbraw/zinc/49/82/09/454498209.db2.gz MFKIOFVWRWBWIM-NRFANRHFSA-N 1 2 349.434 3.214 40 0 EGABLO Cc1nc(C[N@@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)no1 ZINC000134055067 454498213 /nfs/dbraw/zinc/49/82/13/454498213.db2.gz MFKIOFVWRWBWIM-NRFANRHFSA-N 1 2 349.434 3.214 40 0 EGABLO C[C@H](C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)CS(C)(=O)=O ZINC000162232192 454760690 /nfs/dbraw/zinc/76/06/90/454760690.db2.gz RFYLRZMHAGPACL-TZMCWYRMSA-N 1 2 338.498 3.114 40 0 EGABLO C[C@H](C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)CS(C)(=O)=O ZINC000162232192 454760693 /nfs/dbraw/zinc/76/06/93/454760693.db2.gz RFYLRZMHAGPACL-TZMCWYRMSA-N 1 2 338.498 3.114 40 0 EGABLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2nc3ccccc3[nH]2)CC1 ZINC000128513966 455063402 /nfs/dbraw/zinc/06/34/02/455063402.db2.gz UYFCGGVVBKICPS-UHFFFAOYSA-N 1 2 330.432 3.006 40 0 EGABLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2nc3ccccc3[nH]2)CC1 ZINC000128513966 455063406 /nfs/dbraw/zinc/06/34/06/455063406.db2.gz UYFCGGVVBKICPS-UHFFFAOYSA-N 1 2 330.432 3.006 40 0 EGABLO CS(=O)(=O)C[C@H]([NH2+]Cc1cc(F)ccc1Cl)c1ccccc1 ZINC000189346542 455181873 /nfs/dbraw/zinc/18/18/73/455181873.db2.gz PPAJMXPMFROSEK-INIZCTEOSA-N 1 2 341.835 3.355 40 0 EGABLO Cc1ccncc1CO[C@@H]1CCOC2(C[NH+](Cc3ccsc3)C2)C1 ZINC000247822034 455647262 /nfs/dbraw/zinc/64/72/62/455647262.db2.gz HCSOJNDFCSTKND-GOSISDBHSA-N 1 2 344.480 3.402 40 0 EGABLO Cc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2ccncc2)CCO3)s1 ZINC000248098502 455680660 /nfs/dbraw/zinc/68/06/60/455680660.db2.gz NECHSEZFZJDAQP-QGZVFWFLSA-N 1 2 344.480 3.402 40 0 EGABLO c1ccc2nc(C[NH+]3CC4(C3)C[C@H](OCC3CC3)CCO4)ccc2c1 ZINC000248341262 455706010 /nfs/dbraw/zinc/70/60/10/455706010.db2.gz WAZNSMYYIPRWSA-LJQANCHMSA-N 1 2 338.451 3.395 40 0 EGABLO CO[C@@H](C)CCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000253426528 455845581 /nfs/dbraw/zinc/84/55/81/455845581.db2.gz ROCVQJUDCHHJBM-AWEZNQCLSA-N 1 2 325.412 3.355 40 0 EGABLO CN(C(=O)C1CCC(F)(F)CC1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257287330 455883198 /nfs/dbraw/zinc/88/31/98/455883198.db2.gz PPMVUOSXNZLELE-HNNXBMFYSA-N 1 2 337.414 3.334 40 0 EGABLO COc1ccccc1CC(=O)N1CCC[C@H]1c1cccc2[nH+]ccn21 ZINC000257294203 455885518 /nfs/dbraw/zinc/88/55/18/455885518.db2.gz QTASONUSGNDZPN-KRWDZBQOSA-N 1 2 335.407 3.249 40 0 EGABLO CNc1cc([C@H]2CCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)cc[nH+]1 ZINC000257298886 455886357 /nfs/dbraw/zinc/88/63/57/455886357.db2.gz RNQMJVVAGOLVGM-CQSZACIVSA-N 1 2 327.432 3.121 40 0 EGABLO CN(C(=O)c1ccc2ncccc2c1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257311619 455889389 /nfs/dbraw/zinc/88/93/89/455889389.db2.gz UKIBQOJQDOEMQG-GOSISDBHSA-N 1 2 346.434 3.371 40 0 EGABLO CCCNc1cccc([C@@H]2CN(Cc3[nH+]ccn3CCC)CCO2)n1 ZINC000257312925 455889648 /nfs/dbraw/zinc/88/96/48/455889648.db2.gz UQFLWZHGNIZCSW-KRWDZBQOSA-N 1 2 343.475 3.084 40 0 EGABLO Cc1noc(C)c1CCC(=O)N1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257321648 455891684 /nfs/dbraw/zinc/89/16/84/455891684.db2.gz WCOHNIOHUBLURQ-UHFFFAOYSA-N 1 2 341.455 3.409 40 0 EGABLO Cc1cc(NC(=O)Nc2cnn(C)c2)c[nH+]c1N1CCCC[C@H]1C ZINC000272641965 456023433 /nfs/dbraw/zinc/02/34/33/456023433.db2.gz DPNZOVPSCJSZEX-CYBMUJFWSA-N 1 2 328.420 3.146 40 0 EGABLO C[C@@H]1C[N@H+](CCSc2nnc(-c3cc4ccccc4o3)o2)CCO1 ZINC000188323192 456044004 /nfs/dbraw/zinc/04/40/04/456044004.db2.gz WEMOHPNZLQPNPZ-GFCCVEGCSA-N 1 2 345.424 3.296 40 0 EGABLO C[C@@H]1C[N@@H+](CCSc2nnc(-c3cc4ccccc4o3)o2)CCO1 ZINC000188323192 456044012 /nfs/dbraw/zinc/04/40/12/456044012.db2.gz WEMOHPNZLQPNPZ-GFCCVEGCSA-N 1 2 345.424 3.296 40 0 EGABLO Cc1ccccc1NC(=S)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000225221694 456075722 /nfs/dbraw/zinc/07/57/22/456075722.db2.gz JQQNKELTRXTHQD-UHFFFAOYSA-N 1 2 341.480 3.215 40 0 EGABLO Nc1[nH+]cnc(NCc2ccc(COC3CCOCC3)cc2)c1Cl ZINC000225482700 456087731 /nfs/dbraw/zinc/08/77/31/456087731.db2.gz JUFJPVIYLRLRMV-UHFFFAOYSA-N 1 2 348.834 3.020 40 0 EGABLO Nc1nc[nH+]c(NCc2ccc(COC3CCOCC3)cc2)c1Cl ZINC000225482700 456087739 /nfs/dbraw/zinc/08/77/39/456087739.db2.gz JUFJPVIYLRLRMV-UHFFFAOYSA-N 1 2 348.834 3.020 40 0 EGABLO Cc1oc(C(C)C)cc1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000225491984 456087861 /nfs/dbraw/zinc/08/78/61/456087861.db2.gz YYFWOPZNNCTBRK-UHFFFAOYSA-N 1 2 327.428 3.064 40 0 EGABLO Cn1c[nH+]cc1CC(=O)NC(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000225499540 456089344 /nfs/dbraw/zinc/08/93/44/456089344.db2.gz CQAPLIJYDNGEKK-UHFFFAOYSA-N 1 2 339.361 3.119 40 0 EGABLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccccc2OC2CC2)CC1(C)C ZINC000297680949 456274920 /nfs/dbraw/zinc/27/49/20/456274920.db2.gz HUIXSYIZZVSJMG-INIZCTEOSA-N 1 2 325.412 3.185 40 0 EGABLO O=C(C[NH+]1Cc2ccccc2C1)Nc1cccc(Br)c1 ZINC000409197584 457595628 /nfs/dbraw/zinc/59/56/28/457595628.db2.gz JIJUBWBRCJYBMP-UHFFFAOYSA-N 1 2 331.213 3.403 40 0 EGABLO Cc1csc(CC2(O)CC[NH+](Cc3c(F)cccc3F)CC2)n1 ZINC000585141384 459829983 /nfs/dbraw/zinc/82/99/83/459829983.db2.gz VDQYQAWXGNQNKD-UHFFFAOYSA-N 1 2 338.423 3.299 40 0 EGABLO CC(C)n1ccnc1C[N@@H+]1CCC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585269534 459831982 /nfs/dbraw/zinc/83/19/82/459831982.db2.gz YDYPDHVWIIEQDU-LJQANCHMSA-N 1 2 347.434 3.009 40 0 EGABLO CC(C)n1ccnc1C[N@H+]1CCC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585269534 459831985 /nfs/dbraw/zinc/83/19/85/459831985.db2.gz YDYPDHVWIIEQDU-LJQANCHMSA-N 1 2 347.434 3.009 40 0 EGABLO Fc1cccc(Cl)c1C[NH+]1CCN(c2cc3c(nn2)CCC3)CC1 ZINC000575606092 459979460 /nfs/dbraw/zinc/97/94/60/459979460.db2.gz DHKITTVQKAMKQF-UHFFFAOYSA-N 1 2 346.837 3.080 40 0 EGABLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1c(C)noc1C ZINC000174904944 528349328 /nfs/dbraw/zinc/34/93/28/528349328.db2.gz UQNFXQGWFVQLNA-UHFFFAOYSA-N 1 2 342.443 3.065 40 0 EGABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2Cc2cscn2)c1 ZINC000257229405 536913075 /nfs/dbraw/zinc/91/30/75/536913075.db2.gz FXYYAZQWSUNPRP-MRXNPFEDSA-N 1 2 326.425 3.105 40 0 EGABLO O=C(c1ccc(Cl)cc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000050823436 214071002 /nfs/dbraw/zinc/07/10/02/214071002.db2.gz VVQFFVILPVLTRR-UHFFFAOYSA-N 1 2 332.806 3.437 40 0 EGABLO Cc1ccccc1N1C(=O)C[C@@H]([N@H+](C)Cc2cccc(Cl)c2)C1=O ZINC000102815188 219233068 /nfs/dbraw/zinc/23/30/68/219233068.db2.gz MYNNPPOYCXLCBJ-QGZVFWFLSA-N 1 2 342.826 3.412 40 0 EGABLO Cc1ccccc1N1C(=O)C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)C1=O ZINC000102815188 219233071 /nfs/dbraw/zinc/23/30/71/219233071.db2.gz MYNNPPOYCXLCBJ-QGZVFWFLSA-N 1 2 342.826 3.412 40 0 EGABLO CC1(C)CN([C@H](C[NH2+]Cc2ccn[nH]2)c2ccc(Cl)cc2)CCO1 ZINC000103345950 219292624 /nfs/dbraw/zinc/29/26/24/219292624.db2.gz OTNNOFIGFFJXNE-QGZVFWFLSA-N 1 2 348.878 3.005 40 0 EGABLO c1csc(Nc2nccc([C@H]3CCC[N@H+]3Cc3ccccn3)n2)n1 ZINC000072377655 216178605 /nfs/dbraw/zinc/17/86/05/216178605.db2.gz CRXVQDGETVXVJR-OAHLLOKOSA-N 1 2 338.440 3.409 40 0 EGABLO c1csc(Nc2nccc([C@H]3CCC[N@@H+]3Cc3ccccn3)n2)n1 ZINC000072377655 216178608 /nfs/dbraw/zinc/17/86/08/216178608.db2.gz CRXVQDGETVXVJR-OAHLLOKOSA-N 1 2 338.440 3.409 40 0 EGABLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ncoc2-c2ccco2)c1C ZINC000072571346 216277587 /nfs/dbraw/zinc/27/75/87/216277587.db2.gz RWRPZDBUQQSFIN-UHFFFAOYSA-N 1 2 341.367 3.227 40 0 EGABLO Cc1ccc(C(=O)CCC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)s1 ZINC000023608501 212384884 /nfs/dbraw/zinc/38/48/84/212384884.db2.gz BTFNZKPQASPAKN-UHFFFAOYSA-N 1 2 349.481 3.103 40 0 EGABLO Cc1ccc(C(=O)CCC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)s1 ZINC000023608501 212384888 /nfs/dbraw/zinc/38/48/88/212384888.db2.gz BTFNZKPQASPAKN-UHFFFAOYSA-N 1 2 349.481 3.103 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)c3sc(C)nc3C)C2)cc[nH+]1 ZINC000257216582 244169983 /nfs/dbraw/zinc/16/99/83/244169983.db2.gz CVDMQFAIQPSMNP-CQSZACIVSA-N 1 2 330.457 3.216 40 0 EGABLO CNc1cc([C@@H]2CCCN2C(=O)c2cc(CC(C)C)nn2C)cc[nH+]1 ZINC000257220945 244186190 /nfs/dbraw/zinc/18/61/90/244186190.db2.gz DMXHROLIYWPHJE-INIZCTEOSA-N 1 2 341.459 3.033 40 0 EGABLO CN(C(=O)c1cnc2ccccc2c1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257252213 244272682 /nfs/dbraw/zinc/27/26/82/244272682.db2.gz JTYKLPCDGSJYRJ-GOSISDBHSA-N 1 2 346.434 3.371 40 0 EGABLO CCn1nc(C)c(-c2c[nH+]cn2C[C@H](C)n2nc(C)cc2C)c1C ZINC000019719594 212057723 /nfs/dbraw/zinc/05/77/23/212057723.db2.gz GIKHQUAARXXUMR-AWEZNQCLSA-N 1 2 326.448 3.458 40 0 EGABLO CCn1nc(C)c(-c2c[nH+]cn2CCn2nc(C)c(C)c2C)c1C ZINC000019719548 212057152 /nfs/dbraw/zinc/05/71/52/212057152.db2.gz NCVJVGPVNPZVEF-UHFFFAOYSA-N 1 2 326.448 3.205 40 0 EGABLO Fc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(N3CCCC3)ncc12 ZINC000019348748 212019017 /nfs/dbraw/zinc/01/90/17/212019017.db2.gz LEFYMTUUGXIXRM-HNAYVOBHSA-N 1 2 338.430 3.478 40 0 EGABLO Fc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N3CCCC3)ncc12 ZINC000019348748 212019020 /nfs/dbraw/zinc/01/90/20/212019020.db2.gz LEFYMTUUGXIXRM-HNAYVOBHSA-N 1 2 338.430 3.478 40 0 EGABLO Cc1ncc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)s1 ZINC000078921937 217149204 /nfs/dbraw/zinc/14/92/04/217149204.db2.gz XBAKMLZEFFQGKS-OAHLLOKOSA-N 1 2 335.860 3.342 40 0 EGABLO Cc1ncc(C[N@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)s1 ZINC000078921937 217149207 /nfs/dbraw/zinc/14/92/07/217149207.db2.gz XBAKMLZEFFQGKS-OAHLLOKOSA-N 1 2 335.860 3.342 40 0 EGABLO Cc1cc(C)cc(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000016704531 453620477 /nfs/dbraw/zinc/62/04/77/453620477.db2.gz JGTQGGACAQIHGX-UHFFFAOYSA-N 1 2 340.496 3.213 40 0 EGABLO O[C@@H](C[NH+]1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1F ZINC000026904646 453807755 /nfs/dbraw/zinc/80/77/55/453807755.db2.gz QLGLCLNRPSJBSA-IBGZPJMESA-N 1 2 348.849 3.330 40 0 EGABLO O[C@@H](CN1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccccc1F ZINC000026904646 453807757 /nfs/dbraw/zinc/80/77/57/453807757.db2.gz QLGLCLNRPSJBSA-IBGZPJMESA-N 1 2 348.849 3.330 40 0 EGABLO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000030756619 453837864 /nfs/dbraw/zinc/83/78/64/453837864.db2.gz GWCKYSZAAVBCMQ-KRWDZBQOSA-N 1 2 338.451 3.318 40 0 EGABLO O=C(NCc1ccc(Cl)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030848779 453839092 /nfs/dbraw/zinc/83/90/92/453839092.db2.gz WMMTXCMWZGITSN-UHFFFAOYSA-N 1 2 344.842 3.102 40 0 EGABLO CC[N@H+](CCCNS(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000031074189 453846333 /nfs/dbraw/zinc/84/63/33/453846333.db2.gz WDCAHAMIAIIORK-UHFFFAOYSA-N 1 2 336.432 3.021 40 0 EGABLO CC[N@@H+](CCCNS(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000031074189 453846336 /nfs/dbraw/zinc/84/63/36/453846336.db2.gz WDCAHAMIAIIORK-UHFFFAOYSA-N 1 2 336.432 3.021 40 0 EGABLO C[C@@H](c1ccccn1)N(C)C(=O)NCc1[nH+]ccn1Cc1ccccc1 ZINC000075456492 453893687 /nfs/dbraw/zinc/89/36/87/453893687.db2.gz HCUINFBUFOLFLH-INIZCTEOSA-N 1 2 349.438 3.229 40 0 EGABLO COc1cccc(-c2cnc(C[N@@H+]3CCCC[C@H]3C3OCCO3)o2)c1 ZINC000075713009 453920786 /nfs/dbraw/zinc/92/07/86/453920786.db2.gz GMGYWWRUPJHUSO-INIZCTEOSA-N 1 2 344.411 3.078 40 0 EGABLO COc1cccc(-c2cnc(C[N@H+]3CCCC[C@H]3C3OCCO3)o2)c1 ZINC000075713009 453920788 /nfs/dbraw/zinc/92/07/88/453920788.db2.gz GMGYWWRUPJHUSO-INIZCTEOSA-N 1 2 344.411 3.078 40 0 EGABLO Nc1cccc(OCc2[nH+]c(N)nc(N)c2-c2ccc(Cl)cc2)c1 ZINC000037866081 453939122 /nfs/dbraw/zinc/93/91/22/453939122.db2.gz VENIPBHVOLIRGW-UHFFFAOYSA-N 1 2 341.802 3.123 40 0 in-vitro EGABLO Cc1nc(C(C)(C)NC(=O)c2ccc(-n3cc[nH+]c3)nc2)sc1C ZINC000076649665 454022082 /nfs/dbraw/zinc/02/20/82/454022082.db2.gz WTVVIHBXCSNVHD-UHFFFAOYSA-N 1 2 341.440 3.006 40 0 EGABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC(Cc2ccccc2)CC1 ZINC000044896670 454125288 /nfs/dbraw/zinc/12/52/88/454125288.db2.gz QDXHWQOWDOMIDQ-UHFFFAOYSA-N 1 2 346.434 3.362 40 0 EGABLO CC[C@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057669560 454140037 /nfs/dbraw/zinc/14/00/37/454140037.db2.gz CLQOXGKZKMOMJC-GOSISDBHSA-N 1 2 340.475 3.062 40 0 EGABLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000045584783 454168925 /nfs/dbraw/zinc/16/89/25/454168925.db2.gz ZQDHCPCEJGAPPR-MRXNPFEDSA-N 1 2 329.444 3.289 40 0 EGABLO CNc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)c[nH+]1 ZINC000058427552 454202571 /nfs/dbraw/zinc/20/25/71/454202571.db2.gz GEJIKIZBFYYASZ-UHFFFAOYSA-N 1 2 331.319 3.160 40 0 EGABLO COc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(Cl)cc3)[nH]2)cc1OC ZINC000095534007 454231004 /nfs/dbraw/zinc/23/10/04/454231004.db2.gz HOAMZSMUICWCKE-HNNXBMFYSA-N 1 2 344.802 3.190 40 0 EGABLO Cc1csc(C[N@@H+]2CC[C@H]3C[C@H](c4nnc(C5CC5)o4)O[C@@H]3C2)n1 ZINC000096046071 454267675 /nfs/dbraw/zinc/26/76/75/454267675.db2.gz AIIFROGLCPUSDY-BFHYXJOUSA-N 1 2 346.456 3.064 40 0 EGABLO Cc1csc(C[N@H+]2CC[C@H]3C[C@H](c4nnc(C5CC5)o4)O[C@@H]3C2)n1 ZINC000096046071 454267682 /nfs/dbraw/zinc/26/76/82/454267682.db2.gz AIIFROGLCPUSDY-BFHYXJOUSA-N 1 2 346.456 3.064 40 0 EGABLO CCOCCCNc1nc(NCCCOCC)c2ccccc2[nH+]1 ZINC000096182665 454297961 /nfs/dbraw/zinc/29/79/61/454297961.db2.gz YXOQOBZJCDOBBR-UHFFFAOYSA-N 1 2 332.448 3.307 40 0 EGABLO COC[C@@H]1C[N@H+](Cc2ccccc2OC)Cc2c1cnn2CC1CC1 ZINC000096197947 454301788 /nfs/dbraw/zinc/30/17/88/454301788.db2.gz ZZQLZWDDNVQONL-KRWDZBQOSA-N 1 2 341.455 3.048 40 0 EGABLO COC[C@@H]1C[N@@H+](Cc2ccccc2OC)Cc2c1cnn2CC1CC1 ZINC000096197947 454301791 /nfs/dbraw/zinc/30/17/91/454301791.db2.gz ZZQLZWDDNVQONL-KRWDZBQOSA-N 1 2 341.455 3.048 40 0 EGABLO Cc1ccc(CN2CCn3c(Cn4cccn4)c[nH+]c3[C@@H]2C)s1 ZINC000096201250 454302272 /nfs/dbraw/zinc/30/22/72/454302272.db2.gz WELAGCDCBOKVAM-AWEZNQCLSA-N 1 2 327.457 3.075 40 0 EGABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2cc3ccccc3s2)C1 ZINC000096208279 454304475 /nfs/dbraw/zinc/30/44/75/454304475.db2.gz JXDJUXOHYMZSFH-ZDUSSCGKSA-N 1 2 341.436 3.016 40 0 EGABLO Cc1cccc(CN2CC[C@]23CCC[N@H+](Cc2nccs2)C3)n1 ZINC000096239477 454310072 /nfs/dbraw/zinc/31/00/72/454310072.db2.gz JTZKEDLVGAABQS-SFHVURJKSA-N 1 2 328.485 3.087 40 0 EGABLO Cc1cccc(CN2CC[C@]23CCC[N@@H+](Cc2nccs2)C3)n1 ZINC000096239477 454310076 /nfs/dbraw/zinc/31/00/76/454310076.db2.gz JTZKEDLVGAABQS-SFHVURJKSA-N 1 2 328.485 3.087 40 0 EGABLO Cc1cccc(CN2CC[C@@]23CCC[N@H+](Cc2nccs2)C3)n1 ZINC000096239476 454310872 /nfs/dbraw/zinc/31/08/72/454310872.db2.gz JTZKEDLVGAABQS-GOSISDBHSA-N 1 2 328.485 3.087 40 0 EGABLO Cc1cccc(CN2CC[C@@]23CCC[N@@H+](Cc2nccs2)C3)n1 ZINC000096239476 454310874 /nfs/dbraw/zinc/31/08/74/454310874.db2.gz JTZKEDLVGAABQS-GOSISDBHSA-N 1 2 328.485 3.087 40 0 EGABLO Cc1cc(C)c(CCNC(=O)N2CCC(n3cc[nH+]c3)CC2)c(C)c1 ZINC000096404025 454322816 /nfs/dbraw/zinc/32/28/16/454322816.db2.gz YQEQKLPJPODUQG-UHFFFAOYSA-N 1 2 340.471 3.398 40 0 EGABLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(SC)s2)C12CCCC2 ZINC000096419755 454335645 /nfs/dbraw/zinc/33/56/45/454335645.db2.gz XXGOUAYPXUHURK-NWDGAFQWSA-N 1 2 327.519 3.430 40 0 EGABLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(SC)s2)C12CCCC2 ZINC000096419755 454335646 /nfs/dbraw/zinc/33/56/46/454335646.db2.gz XXGOUAYPXUHURK-NWDGAFQWSA-N 1 2 327.519 3.430 40 0 EGABLO O=C(CCCn1cc[nH+]c1)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000096423014 454337954 /nfs/dbraw/zinc/33/79/54/454337954.db2.gz JEJGGPGUISSLIC-HNNXBMFYSA-N 1 2 346.862 3.102 40 0 EGABLO C[C@@H](C(=O)Nc1cc(-c2ccc(OC(F)F)cc2)no1)n1cc[nH+]c1 ZINC000096449121 454355293 /nfs/dbraw/zinc/35/52/93/454355293.db2.gz QWCAKRHVUHDLLU-JTQLQIEISA-N 1 2 348.309 3.339 40 0 EGABLO Cc1cc(C)c(NC(=O)c2cn(Cc3cccc(F)c3)nn2)c(C)[nH+]1 ZINC000096468352 454360730 /nfs/dbraw/zinc/36/07/30/454360730.db2.gz VGTKDXSISQXJGA-UHFFFAOYSA-N 1 2 339.374 3.038 40 0 EGABLO O[C@@H]1CCCN(c2[nH+]c3ccccc3n2Cc2ccc(F)cc2)C1 ZINC000091356272 454430149 /nfs/dbraw/zinc/43/01/49/454430149.db2.gz SXSGYNIHJYJENG-MRXNPFEDSA-N 1 2 325.387 3.185 40 0 EGABLO O=C(/C=C/c1cccs1)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000245108376 455278992 /nfs/dbraw/zinc/27/89/92/455278992.db2.gz SUETXSMENCFQTL-HNNXBMFYSA-N 1 2 348.493 3.261 40 0 EGABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](C[C@@H]4CC=CCC4)C3)[nH]n2c1=O ZINC000247931677 455656132 /nfs/dbraw/zinc/65/61/32/455656132.db2.gz CPSVYTXBEBUPBS-CVEARBPZSA-N 1 2 340.471 3.451 40 0 EGABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](C[C@@H]4CC=CCC4)C3)[nH]n2c1=O ZINC000247931677 455656136 /nfs/dbraw/zinc/65/61/36/455656136.db2.gz CPSVYTXBEBUPBS-CVEARBPZSA-N 1 2 340.471 3.451 40 0 EGABLO COc1cccc([C@@H]([NH2+]CC(=O)N2CCC2)c2ccccc2Cl)c1 ZINC000253433029 455848292 /nfs/dbraw/zinc/84/82/92/455848292.db2.gz QXSAKGWEJPKMAV-LJQANCHMSA-N 1 2 344.842 3.260 40 0 EGABLO COc1ccc([C@@H]2Cn3c(C)c[nH+]c3CN2Cc2cc(C)on2)cc1 ZINC000257249366 455880623 /nfs/dbraw/zinc/88/06/23/455880623.db2.gz JHXZHTGDXRRQOC-SFHVURJKSA-N 1 2 338.411 3.254 40 0 EGABLO Fc1cccc(C[NH+]2CC3(C2)CO[C@@H](Cc2cccnc2)C3)c1F ZINC000257309531 455887971 /nfs/dbraw/zinc/88/79/71/455887971.db2.gz UBHGURORTGRKOQ-INIZCTEOSA-N 1 2 330.378 3.193 40 0 EGABLO Fc1ccc(Oc2cncc([C@@H]3CCCN3Cc3[nH]cc[nH+]3)n2)cc1 ZINC000257331790 455893907 /nfs/dbraw/zinc/89/39/07/455893907.db2.gz XUGSCSNKPXYUNK-INIZCTEOSA-N 1 2 339.374 3.468 40 0 EGABLO O=C(Nc1ccc2sccc2c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000195546458 455983011 /nfs/dbraw/zinc/98/30/11/455983011.db2.gz WRFMWMHIHGLATH-INIZCTEOSA-N 1 2 345.468 3.230 40 0 EGABLO Oc1ccc2c(c1)[C@@H](Nc1ccc(N3CCOCC3)c[nH+]1)CCC2 ZINC000333431302 456216901 /nfs/dbraw/zinc/21/69/01/456216901.db2.gz JRVQXAGCAJCCPK-SFHVURJKSA-N 1 2 325.412 3.113 40 0 EGABLO Cc1ccc([C@@H](C)CC[N@@H+]2CC(F)(F)C[C@]3(CCCNC3=O)C2)o1 ZINC000306143141 456567695 /nfs/dbraw/zinc/56/76/95/456567695.db2.gz XUKKQELTKZWKNJ-SUMWQHHRSA-N 1 2 340.414 3.319 40 0 EGABLO Cc1ccc([C@@H](C)CC[N@H+]2CC(F)(F)C[C@]3(CCCNC3=O)C2)o1 ZINC000306143141 456567699 /nfs/dbraw/zinc/56/76/99/456567699.db2.gz XUKKQELTKZWKNJ-SUMWQHHRSA-N 1 2 340.414 3.319 40 0 EGABLO CC(C)(C)c1cnc(CNc2ccc(N3CCOCC3)c[nH+]2)s1 ZINC000332138681 457313239 /nfs/dbraw/zinc/31/32/39/457313239.db2.gz LTCQFERMUKMVCN-UHFFFAOYSA-N 1 2 332.473 3.284 40 0 EGABLO Brc1cccc(OC2CC[NH+](Cc3ccon3)CC2)c1 ZINC000183818163 526645857 /nfs/dbraw/zinc/64/58/57/526645857.db2.gz KMRMDIOEOTUDHC-UHFFFAOYSA-N 1 2 337.217 3.481 40 0 EGABLO CN(C)c1cc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2)cc[nH+]1 ZINC000257230548 536145475 /nfs/dbraw/zinc/14/54/75/536145475.db2.gz GCUSRNDBJUVYNI-KRWDZBQOSA-N 1 2 343.402 3.029 40 0 EGABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2Cc2nccs2)c1 ZINC000257263342 536912945 /nfs/dbraw/zinc/91/29/45/536912945.db2.gz LPKYEICGDPUCRS-OAHLLOKOSA-N 1 2 326.425 3.105 40 0 EGABLO COCc1noc([C@H](C)[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000181902509 234374221 /nfs/dbraw/zinc/37/42/21/234374221.db2.gz CQZAKGWERYYRGA-JSGCOSHPSA-N 1 2 347.390 3.011 40 0 EGABLO COCc1noc([C@H](C)[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000181902509 234374227 /nfs/dbraw/zinc/37/42/27/234374227.db2.gz CQZAKGWERYYRGA-JSGCOSHPSA-N 1 2 347.390 3.011 40 0 EGABLO CCc1nnc(Nc2cnc([C@@H]3CCC[N@H+](CC(C)C)C3)cn2)s1 ZINC000072361593 216167033 /nfs/dbraw/zinc/16/70/33/216167033.db2.gz GSDYIWDIFUOUIY-CYBMUJFWSA-N 1 2 346.504 3.470 40 0 EGABLO CCc1nnc(Nc2cnc([C@@H]3CCC[N@@H+](CC(C)C)C3)cn2)s1 ZINC000072361593 216167036 /nfs/dbraw/zinc/16/70/36/216167036.db2.gz GSDYIWDIFUOUIY-CYBMUJFWSA-N 1 2 346.504 3.470 40 0 EGABLO Cc1cc(N2CCC([C@H]3CCCCN(C(C)C)C3=O)CC2)nc[nH+]1 ZINC000072369025 216176038 /nfs/dbraw/zinc/17/60/38/216176038.db2.gz TZIFLXZWCVSTFB-QGZVFWFLSA-N 1 2 330.476 3.039 40 0 EGABLO Cc1cccc(O[C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000022528804 212304419 /nfs/dbraw/zinc/30/44/19/212304419.db2.gz PTDATILFHZNEIJ-MRXNPFEDSA-N 1 2 335.407 3.264 40 0 EGABLO Cc1ccoc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000021669754 212238684 /nfs/dbraw/zinc/23/86/84/212238684.db2.gz YUPBXNASVJKMJK-AWEZNQCLSA-N 1 2 329.787 3.494 40 0 EGABLO Cc1cc(N)nc(SC[C@H](O)COc2ccc3ccccc3c2)[nH+]1 ZINC000021487358 212226673 /nfs/dbraw/zinc/22/66/73/212226673.db2.gz VDZGHIQHWXNFOL-OAHLLOKOSA-N 1 2 341.436 3.052 40 0 EGABLO Cc1c[nH+]c2n1C[C@H](c1ccccc1)N(C(=O)CC1CCOCC1)C2 ZINC000257270112 244373830 /nfs/dbraw/zinc/37/38/30/244373830.db2.gz MSVKQCWPBVRVCH-GOSISDBHSA-N 1 2 339.439 3.092 40 0 EGABLO CC(C)Nc1n[nH]c2nc([C@H]3CCCCN3Cc3[nH]cc[nH+]3)ccc12 ZINC000257270650 244376099 /nfs/dbraw/zinc/37/60/99/244376099.db2.gz MVBSRQYAWXQISL-OAHLLOKOSA-N 1 2 339.447 3.229 40 0 EGABLO CC(C)Nc1n[nH]c2nc([C@@H]3CCCCN3Cc3[nH]cc[nH+]3)ccc12 ZINC000257270649 244376469 /nfs/dbraw/zinc/37/64/69/244376469.db2.gz MVBSRQYAWXQISL-HNNXBMFYSA-N 1 2 339.447 3.229 40 0 EGABLO COc1cc2c(cc1OC)[C@H](c1ccncc1)[NH2+][C@H](c1ccccn1)C2 ZINC000019550753 212041470 /nfs/dbraw/zinc/04/14/70/212041470.db2.gz GBCBSFUWYBTMOX-RXVVDRJESA-N 1 2 347.418 3.470 40 0 EGABLO Cc1[nH+]c([C@H]2CCCN(C(=O)c3cccnc3)C2)c2sccn12 ZINC000019240770 212008616 /nfs/dbraw/zinc/00/86/16/212008616.db2.gz AADIYGKFCLWQQC-AWEZNQCLSA-N 1 2 326.425 3.119 40 0 EGABLO Cc1csc2c([C@H]3CCCN(C(=O)c4cccnc4)C3)[nH+]c(C)n12 ZINC000019240443 212008243 /nfs/dbraw/zinc/00/82/43/212008243.db2.gz GTLMYVQAZYWCLX-HNNXBMFYSA-N 1 2 340.452 3.427 40 0 EGABLO C[C@H](c1ccccc1F)[NH+]1CCN(C(=O)CCc2cccnc2)CC1 ZINC000078915075 217147108 /nfs/dbraw/zinc/14/71/08/217147108.db2.gz PDSXCXGFIZTKNM-MRXNPFEDSA-N 1 2 341.430 3.059 40 0 EGABLO COc1c(C)c[nH+]c(CSc2nnc(N3CCCC3)s2)c1C ZINC000079306637 217205940 /nfs/dbraw/zinc/20/59/40/217205940.db2.gz SMKNIQGXMZNMMC-UHFFFAOYSA-N 1 2 336.486 3.451 40 0 EGABLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCCc2cccs2)CC1 ZINC000079353072 217214018 /nfs/dbraw/zinc/21/40/18/217214018.db2.gz JXDJGRYOVGMVDI-MRXNPFEDSA-N 1 2 343.496 3.371 40 0 EGABLO CCOc1cc2c(cc1C[N@H+]1[C@@H]3CC[C@H]1Cc1ncccc13)OCO2 ZINC000012222190 211323868 /nfs/dbraw/zinc/32/38/68/211323868.db2.gz IQAACTNRRPMATC-WMLDXEAASA-N 1 2 338.407 3.471 40 0 EGABLO CCOc1cc2c(cc1C[N@@H+]1[C@@H]3CC[C@H]1Cc1ncccc13)OCO2 ZINC000012222190 211323869 /nfs/dbraw/zinc/32/38/69/211323869.db2.gz IQAACTNRRPMATC-WMLDXEAASA-N 1 2 338.407 3.471 40 0 EGABLO C[C@H](Sc1[nH+]cnc2c1cnn2C)C(=O)c1ccc2c(c1)CCC2 ZINC000011683302 211234109 /nfs/dbraw/zinc/23/41/09/211234109.db2.gz FQMGTGHLUNZPAK-NSHDSACASA-N 1 2 338.436 3.216 40 0 EGABLO C[C@H](c1cccnc1)N(C)C(=O)NCc1[nH+]ccn1Cc1ccccc1 ZINC000096440917 218822020 /nfs/dbraw/zinc/82/20/20/218822020.db2.gz KBLMWSQJYWFJBN-MRXNPFEDSA-N 1 2 349.438 3.229 40 0 EGABLO COc1ccc(C2(C(=O)N3CCC[C@H](c4[nH]cc(C)[nH+]4)C3)CC2)cc1 ZINC000257339635 257916832 /nfs/dbraw/zinc/91/68/32/257916832.db2.gz ZCOUMEDHUWMPCI-HNNXBMFYSA-N 1 2 339.439 3.165 40 0 EGABLO Cc1ccnn1-c1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000299607816 308681403 /nfs/dbraw/zinc/68/14/03/308681403.db2.gz YQDNLUOLKOBOCU-QGZVFWFLSA-N 1 2 335.411 3.271 40 0 EGABLO O=C(/C=C/c1cc2ccccc2o1)N1CCN(c2cccc[nH+]2)CC1 ZINC000001648894 452673054 /nfs/dbraw/zinc/67/30/54/452673054.db2.gz VPYUXIAYGBDIBK-CMDGGOBGSA-N 1 2 333.391 3.190 40 0 EGABLO Cn1cc[nH+]c1[C@H](NC(=O)CCc1ccsc1)c1cccc(F)c1 ZINC000024015046 453721651 /nfs/dbraw/zinc/72/16/51/453721651.db2.gz XOYAQKAPGFETCL-QGZVFWFLSA-N 1 2 343.427 3.459 40 0 EGABLO Cc1noc2ncc(C(=O)Nc3cccc(Cn4cc[nH+]c4)c3)cc12 ZINC000025178951 453760896 /nfs/dbraw/zinc/76/08/96/453760896.db2.gz GSMABJAIVDCDSO-UHFFFAOYSA-N 1 2 333.351 3.028 40 0 EGABLO O=C(/C=C/c1ccsc1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000044874916 454123684 /nfs/dbraw/zinc/12/36/84/454123684.db2.gz ONFVIKJGHYJXRC-BWPKMQGJSA-N 1 2 348.493 3.013 40 0 EGABLO COc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)ccc1C ZINC000044889262 454124571 /nfs/dbraw/zinc/12/45/71/454124571.db2.gz XTZZYSFDPGFGAT-GOSISDBHSA-N 1 2 335.407 3.257 40 0 EGABLO CCOc1cccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000044919872 454127194 /nfs/dbraw/zinc/12/71/94/454127194.db2.gz SDEKYXHWTJNWDD-UHFFFAOYSA-N 1 2 335.407 3.260 40 0 EGABLO COc1cccc([C@H](C)Nc2[nH+]cnc3c2cnn3-c2ccccn2)c1 ZINC000046088345 454217309 /nfs/dbraw/zinc/21/73/09/454217309.db2.gz YXQCJLNQXMRJII-ZDUSSCGKSA-N 1 2 346.394 3.392 40 0 EGABLO O=C(Nc1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000059916548 454265079 /nfs/dbraw/zinc/26/50/79/454265079.db2.gz PPQGDDLNQINKKW-UHFFFAOYSA-N 1 2 345.830 3.395 40 0 EGABLO C[N@H+](Cc1ccco1)[C@@H]1CN(Cc2ccc(F)cc2)[C@@H]2CCCO[C@H]12 ZINC000096056371 454274518 /nfs/dbraw/zinc/27/45/18/454274518.db2.gz HLNIKLLWBFJUPU-AQNXPRMDSA-N 1 2 344.430 3.283 40 0 EGABLO C[N@@H+](Cc1ccco1)[C@@H]1CN(Cc2ccc(F)cc2)[C@@H]2CCCO[C@H]12 ZINC000096056371 454274525 /nfs/dbraw/zinc/27/45/25/454274525.db2.gz HLNIKLLWBFJUPU-AQNXPRMDSA-N 1 2 344.430 3.283 40 0 EGABLO Cn1cnc2c1[C@H](COCc1ccccc1)[N@H+](Cc1ccncc1)CC2 ZINC000096187734 454300267 /nfs/dbraw/zinc/30/02/67/454300267.db2.gz OVFNIYKKWGNIOI-FQEVSTJZSA-N 1 2 348.450 3.131 40 0 EGABLO Cn1cnc2c1[C@H](COCc1ccccc1)[N@@H+](Cc1ccncc1)CC2 ZINC000096187734 454300270 /nfs/dbraw/zinc/30/02/70/454300270.db2.gz OVFNIYKKWGNIOI-FQEVSTJZSA-N 1 2 348.450 3.131 40 0 EGABLO Cc1nc(-c2cc(C(=O)N[C@@H]3CCC[C@H]3n3cc[nH+]c3)co2)cs1 ZINC000096403372 454322300 /nfs/dbraw/zinc/32/23/00/454322300.db2.gz VWAVDAIUEMSJRC-UKRRQHHQSA-N 1 2 342.424 3.432 40 0 EGABLO CN(C)c1cccc([C@H]2CCCN2C(=O)CCCn2cc[nH+]c2)c1 ZINC000096410160 454328050 /nfs/dbraw/zinc/32/80/50/454328050.db2.gz SQLAEOSSVIRDTL-GOSISDBHSA-N 1 2 326.444 3.093 40 0 EGABLO CN(C)c1cccc([C@@H]2CCCN2C(=O)CCCn2cc[nH+]c2)c1 ZINC000096410159 454328462 /nfs/dbraw/zinc/32/84/62/454328462.db2.gz SQLAEOSSVIRDTL-SFHVURJKSA-N 1 2 326.444 3.093 40 0 EGABLO Cc1cc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(F)c2)c2ccccc2n1 ZINC000096412952 454330115 /nfs/dbraw/zinc/33/01/15/454330115.db2.gz LNNURZOUPDIMDQ-IBGZPJMESA-N 1 2 337.398 3.341 40 0 EGABLO Cc1cc(C[N@H+](C)[C@H](C(N)=O)c2cccc(F)c2)c2ccccc2n1 ZINC000096412952 454330118 /nfs/dbraw/zinc/33/01/18/454330118.db2.gz LNNURZOUPDIMDQ-IBGZPJMESA-N 1 2 337.398 3.341 40 0 EGABLO COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000096424555 454338661 /nfs/dbraw/zinc/33/86/61/454338661.db2.gz RZQDFEOTBOTRPY-OAHLLOKOSA-N 1 2 347.480 3.400 40 0 EGABLO COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000096424555 454338663 /nfs/dbraw/zinc/33/86/63/454338663.db2.gz RZQDFEOTBOTRPY-OAHLLOKOSA-N 1 2 347.480 3.400 40 0 EGABLO O=C(Oc1ccccc1)N1CCC[N@@H+](Cc2ccncc2Cl)CC1 ZINC000096445694 454353047 /nfs/dbraw/zinc/35/30/47/454353047.db2.gz YJHCMWQLIOGNKI-UHFFFAOYSA-N 1 2 345.830 3.442 40 0 EGABLO O=C(Oc1ccccc1)N1CCC[N@H+](Cc2ccncc2Cl)CC1 ZINC000096445694 454353054 /nfs/dbraw/zinc/35/30/54/454353054.db2.gz YJHCMWQLIOGNKI-UHFFFAOYSA-N 1 2 345.830 3.442 40 0 EGABLO CC[C@H](NC(=O)Nc1ccc(C)[nH+]c1N(C)C)c1c(C)noc1C ZINC000096485244 454367589 /nfs/dbraw/zinc/36/75/89/454367589.db2.gz MFFMHUQBVBAQQO-ZDUSSCGKSA-N 1 2 331.420 3.334 40 0 EGABLO C[N@H+](Cc1cscn1)[C@@H](CO)c1cccc(Br)c1 ZINC000096487670 454367779 /nfs/dbraw/zinc/36/77/79/454367779.db2.gz GSBLNBTUKZNPLW-ZDUSSCGKSA-N 1 2 327.247 3.071 40 0 EGABLO C[N@@H+](Cc1cscn1)[C@@H](CO)c1cccc(Br)c1 ZINC000096487670 454367784 /nfs/dbraw/zinc/36/77/84/454367784.db2.gz GSBLNBTUKZNPLW-ZDUSSCGKSA-N 1 2 327.247 3.071 40 0 EGABLO Cc1nc(C[N@H+](Cc2ccccc2)C[C@]2(O)CCc3ccccc32)no1 ZINC000134054838 454497818 /nfs/dbraw/zinc/49/78/18/454497818.db2.gz MFKIOFVWRWBWIM-OAQYLSRUSA-N 1 2 349.434 3.214 40 0 EGABLO Cc1nc(C[N@@H+](Cc2ccccc2)C[C@]2(O)CCc3ccccc32)no1 ZINC000134054838 454497824 /nfs/dbraw/zinc/49/78/24/454497824.db2.gz MFKIOFVWRWBWIM-OAQYLSRUSA-N 1 2 349.434 3.214 40 0 EGABLO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3NC(C)=O)CCO2)c1 ZINC000093080359 454679006 /nfs/dbraw/zinc/67/90/06/454679006.db2.gz ATZXPYAEWSPKMP-FQEVSTJZSA-N 1 2 340.423 3.227 40 0 EGABLO COc1cccc([C@@H]2C[N@@H+](Cc3ccccc3NC(C)=O)CCO2)c1 ZINC000093080359 454679009 /nfs/dbraw/zinc/67/90/09/454679009.db2.gz ATZXPYAEWSPKMP-FQEVSTJZSA-N 1 2 340.423 3.227 40 0 EGABLO Nc1ccnc(C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)n1 ZINC000157094863 455164782 /nfs/dbraw/zinc/16/47/82/455164782.db2.gz NLCPCZBKFMZUEE-ZDUSSCGKSA-N 1 2 332.835 3.003 40 0 EGABLO Nc1ccnc(C[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)n1 ZINC000157094863 455164783 /nfs/dbraw/zinc/16/47/83/455164783.db2.gz NLCPCZBKFMZUEE-ZDUSSCGKSA-N 1 2 332.835 3.003 40 0 EGABLO Fc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3COCc2ccncc2)cc1 ZINC000247559027 455625264 /nfs/dbraw/zinc/62/52/64/455625264.db2.gz YGNDWWWGSUQFBV-GOSISDBHSA-N 1 2 342.414 3.028 40 0 EGABLO Cc1nc(N2CCC(OC[C@@H]3CCCCO3)CC2)c2c([nH+]1)CCCC2 ZINC000253425761 455844916 /nfs/dbraw/zinc/84/49/16/455844916.db2.gz DNPJQSNLBPWDAV-KRWDZBQOSA-N 1 2 345.487 3.218 40 0 EGABLO Cn1c(C[N@@H+]2CCCC[C@H]2c2ccn3nccc3n2)nc2ccccc21 ZINC000257313691 455888672 /nfs/dbraw/zinc/88/86/72/455888672.db2.gz UTRJLAVOINSMOQ-SFHVURJKSA-N 1 2 346.438 3.343 40 0 EGABLO Cn1c(C[N@H+]2CCCC[C@H]2c2ccn3nccc3n2)nc2ccccc21 ZINC000257313691 455888676 /nfs/dbraw/zinc/88/86/76/455888676.db2.gz UTRJLAVOINSMOQ-SFHVURJKSA-N 1 2 346.438 3.343 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)cc[nH+]1 ZINC000257324651 455891341 /nfs/dbraw/zinc/89/13/41/455891341.db2.gz WPPNGZCASLHXOQ-AWEZNQCLSA-N 1 2 326.400 3.009 40 0 EGABLO Cc1nc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c(C)s1 ZINC000195561752 455985265 /nfs/dbraw/zinc/98/52/65/455985265.db2.gz NNMVRMQLBRVUEW-LBPRGKRZSA-N 1 2 338.498 3.020 40 0 EGABLO Cc1nc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)c(C)s1 ZINC000195561754 455985403 /nfs/dbraw/zinc/98/54/03/455985403.db2.gz NNMVRMQLBRVUEW-GFCCVEGCSA-N 1 2 338.498 3.020 40 0 EGABLO C[C@@H]1C[N@H+](CCSc2nnc(-c3ccccc3Cl)o2)CCO1 ZINC000188314590 456041725 /nfs/dbraw/zinc/04/17/25/456041725.db2.gz AHPIGSPISSUNKY-LLVKDONJSA-N 1 2 339.848 3.203 40 0 EGABLO C[C@@H]1C[N@@H+](CCSc2nnc(-c3ccccc3Cl)o2)CCO1 ZINC000188314590 456041728 /nfs/dbraw/zinc/04/17/28/456041728.db2.gz AHPIGSPISSUNKY-LLVKDONJSA-N 1 2 339.848 3.203 40 0 EGABLO C=Cn1cc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)c(Cl)c2)cn1 ZINC000225583792 456094137 /nfs/dbraw/zinc/09/41/37/456094137.db2.gz CJCMRUUGQFUEJF-KRWDZBQOSA-N 1 2 345.809 3.389 40 0 EGABLO Cc1c[nH+]ccc1NC(=O)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000189261529 456267057 /nfs/dbraw/zinc/26/70/57/456267057.db2.gz SZBZUVIKSBOIJO-UHFFFAOYSA-N 1 2 347.365 3.184 40 0 EGABLO O=S(=O)(Cc1ccccc1CNc1cccc[nH+]1)N1CCCCC1 ZINC000096484328 527197839 /nfs/dbraw/zinc/19/78/39/527197839.db2.gz FNCHLXFIFLUCFM-UHFFFAOYSA-N 1 2 345.468 3.009 40 0 EGABLO CCn1cc(C(=O)N2Cc3[nH+]cc(C)n3C[C@H]2c2ccccc2)c(C)n1 ZINC000257246356 536031420 /nfs/dbraw/zinc/03/14/20/536031420.db2.gz ITSORQFXEDOECX-SFHVURJKSA-N 1 2 349.438 3.114 40 0 EGABLO CN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257314003 536068050 /nfs/dbraw/zinc/06/80/50/536068050.db2.gz UUZVWHSLKREPBM-MRXNPFEDSA-N 1 2 334.423 3.304 40 0 EGABLO COc1ccc(C(=O)Nc2cc([NH+]3CCCC3)c(C)cc2N)cc1 ZINC000226331274 536775458 /nfs/dbraw/zinc/77/54/58/536775458.db2.gz WOLHPVAOGMHUJL-UHFFFAOYSA-N 1 2 325.412 3.438 40 0 EGABLO C[C@H](c1ccc(-n2cnc3ccccc32)cc1)[N@H+](C)Cc1nncn1C ZINC000096490681 546690525 /nfs/dbraw/zinc/69/05/25/546690525.db2.gz QMGIYTUUSCIMSH-OAHLLOKOSA-N 1 2 346.438 3.347 40 0 EGABLO C[C@H](c1ccc(-n2cnc3ccccc32)cc1)[N@@H+](C)Cc1nncn1C ZINC000096490681 546690530 /nfs/dbraw/zinc/69/05/30/546690530.db2.gz QMGIYTUUSCIMSH-OAHLLOKOSA-N 1 2 346.438 3.347 40 0 EGABLO c1coc(C[N@@H+]2Cc3ccnn3[C@H](CCOCc3ccccn3)C2)c1 ZINC000306132042 547460650 /nfs/dbraw/zinc/46/06/50/547460650.db2.gz KWIDTUVRDFGTCV-GOSISDBHSA-N 1 2 338.411 3.035 40 0 EGABLO c1coc(C[N@H+]2Cc3ccnn3[C@H](CCOCc3ccccn3)C2)c1 ZINC000306132042 547460656 /nfs/dbraw/zinc/46/06/56/547460656.db2.gz KWIDTUVRDFGTCV-GOSISDBHSA-N 1 2 338.411 3.035 40 0 EGABLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cc(O)cc(Cl)c2)CCN1 ZINC000891727309 1305148052 /nfs/dbraw/zinc/14/80/52/1305148052.db2.gz HIKHNCGOAGZOJT-KRWDZBQOSA-N 1 2 330.815 3.109 40 0 EGABLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(O)cc(Cl)c2)CCN1 ZINC000891727309 1305148057 /nfs/dbraw/zinc/14/80/57/1305148057.db2.gz HIKHNCGOAGZOJT-KRWDZBQOSA-N 1 2 330.815 3.109 40 0 EGABLO CCc1cnc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)o1 ZINC000072560721 216274551 /nfs/dbraw/zinc/27/45/51/216274551.db2.gz KSYSKQUMWWJWBH-MRXNPFEDSA-N 1 2 342.443 3.413 40 0 EGABLO CCc1cnc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)o1 ZINC000072560721 216274554 /nfs/dbraw/zinc/27/45/54/216274554.db2.gz KSYSKQUMWWJWBH-MRXNPFEDSA-N 1 2 342.443 3.413 40 0 EGABLO Cc1sc(CNC(=O)Cn2cc[nH+]c2)nc1-c1ccc(Cl)cc1 ZINC000073039113 216343219 /nfs/dbraw/zinc/34/32/19/216343219.db2.gz JBAOFZYBIBMRPP-UHFFFAOYSA-N 1 2 346.843 3.285 40 0 EGABLO O=C(NCCCn1cc[nH+]c1)c1ccc(COc2ccc(F)cc2)o1 ZINC000023238568 212362424 /nfs/dbraw/zinc/36/24/24/212362424.db2.gz IJUNSCLIGSIJRD-UHFFFAOYSA-N 1 2 343.358 3.014 40 0 EGABLO Cc1ccc([C@@H](CNC(=O)C2CCCCC2)[NH+]2CCOCC2)cc1 ZINC000023105877 212347728 /nfs/dbraw/zinc/34/77/28/212347728.db2.gz KVUVQCVMQKUOFG-LJQANCHMSA-N 1 2 330.472 3.065 40 0 EGABLO C[C@H]1c2nc(C(=O)N3CCCCC3)cn2CC[N@H+]1CC1CCCC1 ZINC000253590985 291327649 /nfs/dbraw/zinc/32/76/49/291327649.db2.gz HYVYNINSUBLJJN-HNNXBMFYSA-N 1 2 330.476 3.076 40 0 EGABLO C[C@H]1c2nc(C(=O)N3CCCCC3)cn2CC[N@@H+]1CC1CCCC1 ZINC000253590985 291327652 /nfs/dbraw/zinc/32/76/52/291327652.db2.gz HYVYNINSUBLJJN-HNNXBMFYSA-N 1 2 330.476 3.076 40 0 EGABLO C[C@H](NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccco1 ZINC000022609926 212310278 /nfs/dbraw/zinc/31/02/78/212310278.db2.gz FDBLIRWHVBMWKX-GJZGRUSLSA-N 1 2 348.468 3.200 40 0 EGABLO C[C@H](NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccco1 ZINC000022609926 212310279 /nfs/dbraw/zinc/31/02/79/212310279.db2.gz FDBLIRWHVBMWKX-GJZGRUSLSA-N 1 2 348.468 3.200 40 0 EGABLO COc1cccc(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000022289549 212289213 /nfs/dbraw/zinc/28/92/13/212289213.db2.gz ROCDLHCGUFNDPK-UHFFFAOYSA-N 1 2 345.468 3.319 40 0 EGABLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)[C@H]1CCC(=O)c2ccccc21 ZINC000225811699 242047909 /nfs/dbraw/zinc/04/79/09/242047909.db2.gz SMHNPGZTMXDWDT-SFHVURJKSA-N 1 2 345.402 3.453 40 0 EGABLO c1coc(C[N@@H+]2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)c1 ZINC000253588552 244024415 /nfs/dbraw/zinc/02/44/15/244024415.db2.gz HPAOOOVERHQPEQ-IBGZPJMESA-N 1 2 344.455 3.471 40 0 EGABLO c1coc(C[N@H+]2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)c1 ZINC000253588552 244024420 /nfs/dbraw/zinc/02/44/20/244024420.db2.gz HPAOOOVERHQPEQ-IBGZPJMESA-N 1 2 344.455 3.471 40 0 EGABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC(Cc2ccncc2)CC1 ZINC000257205283 244133706 /nfs/dbraw/zinc/13/37/06/244133706.db2.gz AYJOBNKEZJXFRX-UHFFFAOYSA-N 1 2 348.450 3.062 40 0 EGABLO Cc1c[nH]c(-c2cc(C[C@@H]3CCCN(c4cccc[nH+]4)C3)ncn2)n1 ZINC000257216464 244166219 /nfs/dbraw/zinc/16/62/19/244166219.db2.gz CUPMXJRSWSAESL-HNNXBMFYSA-N 1 2 334.427 3.029 40 0 EGABLO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2[nH]ncc2C)cc1CO ZINC000257217489 244170383 /nfs/dbraw/zinc/17/03/83/244170383.db2.gz CZEGZQYWEJYOQC-QGZVFWFLSA-N 1 2 329.444 3.336 40 0 EGABLO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2[nH]ncc2C)cc1CO ZINC000257217489 244170390 /nfs/dbraw/zinc/17/03/90/244170390.db2.gz CZEGZQYWEJYOQC-QGZVFWFLSA-N 1 2 329.444 3.336 40 0 EGABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc4cccc(F)c4[nH]3)C2)[nH+]1 ZINC000257227463 244203634 /nfs/dbraw/zinc/20/36/34/244203634.db2.gz FPKJZCQFTCMCKT-AWEZNQCLSA-N 1 2 340.402 3.369 40 0 EGABLO COc1ccc(NC(=O)[C@@]2(C)CCCN(c3cc(C)[nH+]cn3)C2)cc1 ZINC000257238869 244239879 /nfs/dbraw/zinc/23/98/79/244239879.db2.gz HMWQQTUMPSOSMG-IBGZPJMESA-N 1 2 340.427 3.039 40 0 EGABLO C[C@@H](CC(=O)N1CCC(c2cc3cccnc3[nH]2)CC1)n1cc[nH+]c1 ZINC000019455132 212030066 /nfs/dbraw/zinc/03/00/66/212030066.db2.gz RLWKCXPAMIMAHA-AWEZNQCLSA-N 1 2 337.427 3.117 40 0 EGABLO C[C@H](CC(=O)N1CCC(c2cc3ncccc3cn2)CC1)n1cc[nH+]c1 ZINC000019455130 212030143 /nfs/dbraw/zinc/03/01/43/212030143.db2.gz QJAAGYRHPHRRLY-OAHLLOKOSA-N 1 2 349.438 3.184 40 0 EGABLO C[NH+]1CCN(CC(=O)c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000019367526 212022434 /nfs/dbraw/zinc/02/24/34/212022434.db2.gz PHEVCOYQAYJTOE-UHFFFAOYSA-N 1 2 333.435 3.265 40 0 EGABLO CCc1[nH+]c2ccccc2n1C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000092961512 218182510 /nfs/dbraw/zinc/18/25/10/218182510.db2.gz BMHGQZNKGFURBE-UHFFFAOYSA-N 1 2 347.426 3.107 40 0 EGABLO Cc1nc(-c2cc3c(s2)CCN(Cc2[nH+]ccn2C)C3)cs1 ZINC000093259519 218208191 /nfs/dbraw/zinc/20/81/91/218208191.db2.gz AKERDCOYBCUFSL-UHFFFAOYSA-N 1 2 330.482 3.472 40 0 EGABLO Cc1cnccc1CCNC(=O)Nc1ccc(N2CCCC2)[nH+]c1C ZINC000095437964 218381314 /nfs/dbraw/zinc/38/13/14/218381314.db2.gz KZRIIAYABJNVDX-UHFFFAOYSA-N 1 2 339.443 3.058 40 0 EGABLO CCOC[C@@H]1C[N@H+](Cc2cccs2)Cc2nn(CC3CC3)cc21 ZINC000096060468 218553744 /nfs/dbraw/zinc/55/37/44/218553744.db2.gz ANCCLCJVCKZQNZ-HNNXBMFYSA-N 1 2 331.485 3.491 40 0 EGABLO CCOC[C@@H]1C[N@@H+](Cc2cccs2)Cc2nn(CC3CC3)cc21 ZINC000096060468 218553748 /nfs/dbraw/zinc/55/37/48/218553748.db2.gz ANCCLCJVCKZQNZ-HNNXBMFYSA-N 1 2 331.485 3.491 40 0 EGABLO c1cc(Oc2ccccc2)oc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000097236460 219002329 /nfs/dbraw/zinc/00/23/29/219002329.db2.gz FWSQYJBWSQMDCG-UHFFFAOYSA-N 1 2 329.396 3.453 40 0 EGABLO c1cc(Oc2ccccc2)oc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000097236460 219002331 /nfs/dbraw/zinc/00/23/31/219002331.db2.gz FWSQYJBWSQMDCG-UHFFFAOYSA-N 1 2 329.396 3.453 40 0 EGABLO Cc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)o1 ZINC000097374080 219017324 /nfs/dbraw/zinc/01/73/24/219017324.db2.gz JUJRHBKOHFTYLS-IINYFYTJSA-N 1 2 337.217 3.228 40 0 EGABLO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000057711528 132201546 /nfs/dbraw/zinc/20/15/46/132201546.db2.gz VERFYWFECGFUJN-MRXNPFEDSA-N 1 2 349.906 3.171 40 0 EGABLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1ccc(F)cc1F ZINC000040118879 132399186 /nfs/dbraw/zinc/39/91/86/132399186.db2.gz QOTAKZLGUDHLAE-UHFFFAOYSA-N 1 2 331.366 3.280 40 0 EGABLO COc1ccc([C@H]2CN(C(C)=O)CC[N@@H+]2Cc2ccsc2)cc1 ZINC000257336495 286378704 /nfs/dbraw/zinc/37/87/04/286378704.db2.gz YOSLXVFUVQTJHK-GOSISDBHSA-N 1 2 330.453 3.162 40 0 EGABLO COc1ccc([C@H]2CN(C(C)=O)CC[N@H+]2Cc2ccsc2)cc1 ZINC000257336495 286378706 /nfs/dbraw/zinc/37/87/06/286378706.db2.gz YOSLXVFUVQTJHK-GOSISDBHSA-N 1 2 330.453 3.162 40 0 EGABLO Cc1ccccc1C(=O)N[C@@H](C)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023180907 302080862 /nfs/dbraw/zinc/08/08/62/302080862.db2.gz XWCMJCZHEFTUTJ-YJBOKZPZSA-N 1 2 344.480 3.248 40 0 EGABLO Cc1nnc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)s1 ZINC000097236453 323215282 /nfs/dbraw/zinc/21/52/82/323215282.db2.gz MMBOHTPLDBFHQH-JTQLQIEISA-N 1 2 331.420 3.331 40 0 EGABLO CCCCOc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000006654339 452965237 /nfs/dbraw/zinc/96/52/37/452965237.db2.gz PAMWYPTXNLBITE-UHFFFAOYSA-N 1 2 339.439 3.223 40 0 EGABLO O=C(CCCn1cc[nH+]c1)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000019293098 453655381 /nfs/dbraw/zinc/65/53/81/453655381.db2.gz NXYOHBZWAQLLAJ-UHFFFAOYSA-N 1 2 330.407 3.431 40 0 EGABLO C[C@]12CCC(=O)N1CCC[N@@H+]2Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000019659083 453657350 /nfs/dbraw/zinc/65/73/50/453657350.db2.gz FDYYKMRFKQKCLZ-GOSISDBHSA-N 1 2 344.846 3.070 40 0 EGABLO C[C@]12CCC(=O)N1CCC[N@H+]2Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000019659083 453657353 /nfs/dbraw/zinc/65/73/53/453657353.db2.gz FDYYKMRFKQKCLZ-GOSISDBHSA-N 1 2 344.846 3.070 40 0 EGABLO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1ccsc1)c1cccc(F)c1 ZINC000024015044 453721397 /nfs/dbraw/zinc/72/13/97/453721397.db2.gz XOYAQKAPGFETCL-KRWDZBQOSA-N 1 2 343.427 3.459 40 0 EGABLO CCc1noc(C[N@H+](C)Cc2ccc(SC(=O)N(C)C)cc2)n1 ZINC000075108120 453861652 /nfs/dbraw/zinc/86/16/52/453861652.db2.gz XTWFTEQFKGCYOR-UHFFFAOYSA-N 1 2 334.445 3.038 40 0 EGABLO CCc1noc(C[N@@H+](C)Cc2ccc(SC(=O)N(C)C)cc2)n1 ZINC000075108120 453861654 /nfs/dbraw/zinc/86/16/54/453861654.db2.gz XTWFTEQFKGCYOR-UHFFFAOYSA-N 1 2 334.445 3.038 40 0 EGABLO Cn1cc[nH+]c1CNC(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000077723617 454148267 /nfs/dbraw/zinc/14/82/67/454148267.db2.gz AZNCARZOGHTHMH-UHFFFAOYSA-N 1 2 327.432 3.122 40 0 EGABLO CCc1ccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)o1 ZINC000096042157 454267080 /nfs/dbraw/zinc/26/70/80/454267080.db2.gz XXMZBGJXFDFYTG-SLFFLAALSA-N 1 2 342.439 3.186 40 0 EGABLO CCc1ccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)o1 ZINC000096042157 454267082 /nfs/dbraw/zinc/26/70/82/454267082.db2.gz XXMZBGJXFDFYTG-SLFFLAALSA-N 1 2 342.439 3.186 40 0 EGABLO Cn1ncc2c1C[N@H+](Cc1ccc(F)cc1)C[C@H]2COCC1CC1 ZINC000096044640 454268326 /nfs/dbraw/zinc/26/83/26/454268326.db2.gz IFEGMJQGRURPJA-INIZCTEOSA-N 1 2 329.419 3.085 40 0 EGABLO Cn1ncc2c1C[N@@H+](Cc1ccc(F)cc1)C[C@H]2COCC1CC1 ZINC000096044640 454268327 /nfs/dbraw/zinc/26/83/27/454268327.db2.gz IFEGMJQGRURPJA-INIZCTEOSA-N 1 2 329.419 3.085 40 0 EGABLO Cc1nnc2n1CCC[C@@H]2[NH2+]Cc1cc(F)ccc1Br ZINC000090188597 454291659 /nfs/dbraw/zinc/29/16/59/454291659.db2.gz VFZMHTJTAFQZOX-ZDUSSCGKSA-N 1 2 339.212 3.113 40 0 EGABLO CC(C)Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)o1 ZINC000096436940 454347998 /nfs/dbraw/zinc/34/79/98/454347998.db2.gz NDUMRSMUALKKKU-VXGBXAGGSA-N 1 2 344.415 3.011 40 0 EGABLO COc1csc(C(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)c1 ZINC000096446272 454352595 /nfs/dbraw/zinc/35/25/95/454352595.db2.gz IYHJNEOLGFUNQQ-UHFFFAOYSA-N 1 2 348.443 3.244 40 0 EGABLO COc1csc(C(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)c1 ZINC000096446272 454352601 /nfs/dbraw/zinc/35/26/01/454352601.db2.gz IYHJNEOLGFUNQQ-UHFFFAOYSA-N 1 2 348.443 3.244 40 0 EGABLO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000096447985 454354437 /nfs/dbraw/zinc/35/44/37/454354437.db2.gz RMJOUQSGJVOVEZ-ZDUSSCGKSA-N 1 2 344.459 3.256 40 0 EGABLO C[C@H](OC1CCCCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000096471724 454361420 /nfs/dbraw/zinc/36/14/20/454361420.db2.gz LUHAXWMCWPKMAD-HNNXBMFYSA-N 1 2 342.443 3.011 40 0 EGABLO COc1ccc(C(F)(F)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000096484897 454366364 /nfs/dbraw/zinc/36/63/64/454366364.db2.gz PIEKXCFCHNRBIX-XJKSGUPXSA-N 1 2 349.381 3.093 40 0 EGABLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3nnc(C(C)C)o3)ccc2NC1=O ZINC000096492083 454369713 /nfs/dbraw/zinc/36/97/13/454369713.db2.gz TVPQYJAHYCENHX-RISCZKNCSA-N 1 2 344.415 3.153 40 0 EGABLO Cc1ccc2c(c1)[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)[C@@H](C)C2 ZINC000096500424 454371669 /nfs/dbraw/zinc/37/16/69/454371669.db2.gz ZKTOZMBFZZVBKE-YJBOKZPZSA-N 1 2 326.444 3.157 40 0 EGABLO CCn1cc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000097095172 454405052 /nfs/dbraw/zinc/40/50/52/454405052.db2.gz RBEGFODKLYQICS-IRXDYDNUSA-N 1 2 334.851 3.040 40 0 EGABLO CCn1cc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000097095172 454405056 /nfs/dbraw/zinc/40/50/56/454405056.db2.gz RBEGFODKLYQICS-IRXDYDNUSA-N 1 2 334.851 3.040 40 0 EGABLO CCn1cc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000097095173 454405454 /nfs/dbraw/zinc/40/54/54/454405454.db2.gz RBEGFODKLYQICS-DLBZAZTESA-N 1 2 334.851 3.040 40 0 EGABLO CCn1cc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000097095173 454405458 /nfs/dbraw/zinc/40/54/58/454405458.db2.gz RBEGFODKLYQICS-DLBZAZTESA-N 1 2 334.851 3.040 40 0 EGABLO O=C(Nc1ccccc1OC(F)F)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000176336408 454730910 /nfs/dbraw/zinc/73/09/10/454730910.db2.gz VFKBCPGTLNPDFC-LBPRGKRZSA-N 1 2 336.342 3.181 40 0 EGABLO O=C(CC1CCCC1)N1CC2(C1)OCC[C@@H]2CCNc1cccc[nH+]1 ZINC000247843110 455648975 /nfs/dbraw/zinc/64/89/75/455648975.db2.gz GCDLLJVXBGNKGS-KRWDZBQOSA-N 1 2 343.471 3.081 40 0 EGABLO Cc1cccc(CO[C@@H]2CSC3(C[NH+](Cc4nccs4)C3)C2)n1 ZINC000247897983 455653743 /nfs/dbraw/zinc/65/37/43/455653743.db2.gz YCLPDGKWOYZKOX-HNNXBMFYSA-N 1 2 347.509 3.123 40 0 EGABLO O[C@@H]1C[C@@H](c2ccccc2C(F)(F)F)[N@H+](Cc2cncs2)C1 ZINC000253417154 455841661 /nfs/dbraw/zinc/84/16/61/455841661.db2.gz XSFYAAXQVNQECX-YGRLFVJLSA-N 1 2 328.359 3.470 40 0 EGABLO O[C@@H]1C[C@@H](c2ccccc2C(F)(F)F)[N@@H+](Cc2cncs2)C1 ZINC000253417154 455841669 /nfs/dbraw/zinc/84/16/69/455841669.db2.gz XSFYAAXQVNQECX-YGRLFVJLSA-N 1 2 328.359 3.470 40 0 EGABLO CCn1nccc1CC[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000253420489 455843936 /nfs/dbraw/zinc/84/39/36/455843936.db2.gz JUQSFPORICIJIR-HNNXBMFYSA-N 1 2 348.516 3.273 40 0 EGABLO CCn1nccc1CC[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000253420489 455843940 /nfs/dbraw/zinc/84/39/40/455843940.db2.gz JUQSFPORICIJIR-HNNXBMFYSA-N 1 2 348.516 3.273 40 0 EGABLO CCCCc1[nH]c(CN2CCN(C(C)=O)[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000257278836 455881308 /nfs/dbraw/zinc/88/13/08/455881308.db2.gz ODVUWYBPLXQILD-LJQANCHMSA-N 1 2 340.471 3.158 40 0 EGABLO CCCCc1[nH]cc(CN2CCN(C(C)=O)[C@@H](c3ccccc3)C2)[nH+]1 ZINC000257278836 455881313 /nfs/dbraw/zinc/88/13/13/455881313.db2.gz ODVUWYBPLXQILD-LJQANCHMSA-N 1 2 340.471 3.158 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)c3ccc4[nH]c(C)nc4c3)C2)cc[nH+]1 ZINC000257291592 455884174 /nfs/dbraw/zinc/88/41/74/455884174.db2.gz QHSRRXTZCWPZQY-INIZCTEOSA-N 1 2 349.438 3.328 40 0 EGABLO CCCNc1cccc([C@H]2CN(Cc3[nH+]ccn3CCC)CCO2)n1 ZINC000257312926 455889095 /nfs/dbraw/zinc/88/90/95/455889095.db2.gz UQFLWZHGNIZCSW-QGZVFWFLSA-N 1 2 343.475 3.084 40 0 EGABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1Cc1cscn1 ZINC000257315560 455889401 /nfs/dbraw/zinc/88/94/01/455889401.db2.gz VBXVLLBIUDUFNT-HNNXBMFYSA-N 1 2 326.425 3.105 40 0 EGABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cc3cc(F)ccc3n2C)[nH+]1 ZINC000585181414 459831289 /nfs/dbraw/zinc/83/12/89/459831289.db2.gz QNAWOJYHHVWMCS-HNNXBMFYSA-N 1 2 326.375 3.326 40 0 EGABLO CCCS(=O)(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000171534597 528814931 /nfs/dbraw/zinc/81/49/31/528814931.db2.gz FFEOQDARRZVLPN-UHFFFAOYSA-N 1 2 329.425 3.461 40 0 EGABLO CC(C)c1cc(C(=O)N2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)on1 ZINC000257309815 535349462 /nfs/dbraw/zinc/34/94/62/535349462.db2.gz UCMRTFVJGQLHAF-OAHLLOKOSA-N 1 2 342.443 3.279 40 0 EGABLO c1[nH+]cn2c1c(N1CC(c3ncc(C4CC4)cn3)C1)nc1ccccc12 ZINC000894903514 1309121502 /nfs/dbraw/zinc/12/15/02/1309121502.db2.gz VDYNLTYCBZVABV-UHFFFAOYSA-N 1 2 342.406 3.154 40 0 EGABLO Cc1cccn2cc(CSc3nnc4[nH]c5ccccc5n43)[nH+]c12 ZINC000004266487 210155621 /nfs/dbraw/zinc/15/56/21/210155621.db2.gz BURHWPZHSYUQPS-UHFFFAOYSA-N 1 2 334.408 3.459 40 0 EGABLO O=C(NCCSCc1ccco1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038862112 213229903 /nfs/dbraw/zinc/22/99/03/213229903.db2.gz BFNUTDWXUQODFA-UHFFFAOYSA-N 1 2 341.436 3.188 40 0 EGABLO CCc1nnc(Nc2cc([C@@H]3CCC[N@@H+]3C(C)C)nc(C)n2)s1 ZINC000072360159 216165622 /nfs/dbraw/zinc/16/56/22/216165622.db2.gz HIMYXNSGTCZTNY-ZDUSSCGKSA-N 1 2 332.477 3.488 40 0 EGABLO CCc1nnc(Nc2cc([C@@H]3CCC[N@H+]3C(C)C)nc(C)n2)s1 ZINC000072360159 216165624 /nfs/dbraw/zinc/16/56/24/216165624.db2.gz HIMYXNSGTCZTNY-ZDUSSCGKSA-N 1 2 332.477 3.488 40 0 EGABLO CCc1nnc(Nc2cnc([C@H]3CCC[N@@H+](C(C)C)C3)cn2)s1 ZINC000072361664 216167755 /nfs/dbraw/zinc/16/77/55/216167755.db2.gz BCRWMOLFJNHMTC-LBPRGKRZSA-N 1 2 332.477 3.222 40 0 EGABLO CCc1nnc(Nc2cnc([C@H]3CCC[N@H+](C(C)C)C3)cn2)s1 ZINC000072361664 216167757 /nfs/dbraw/zinc/16/77/57/216167757.db2.gz BCRWMOLFJNHMTC-LBPRGKRZSA-N 1 2 332.477 3.222 40 0 EGABLO c1csc(Nc2nccc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)n1 ZINC000072377648 216179449 /nfs/dbraw/zinc/17/94/49/216179449.db2.gz YZAOCCGJYSVOPK-HNNXBMFYSA-N 1 2 338.440 3.409 40 0 EGABLO c1csc(Nc2nccc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)n1 ZINC000072377648 216179450 /nfs/dbraw/zinc/17/94/50/216179450.db2.gz YZAOCCGJYSVOPK-HNNXBMFYSA-N 1 2 338.440 3.409 40 0 EGABLO O=C(Cc1ccccc1)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378430 216180695 /nfs/dbraw/zinc/18/06/95/216180695.db2.gz MKRJNOYVZJTYRJ-SFHVURJKSA-N 1 2 346.434 3.216 40 0 EGABLO O=C(c1ccc2c(c1)CCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000022025304 212271329 /nfs/dbraw/zinc/27/13/29/212271329.db2.gz KMBMSASXKZNOES-UHFFFAOYSA-N 1 2 326.465 3.195 40 0 EGABLO Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257211487 244152831 /nfs/dbraw/zinc/15/28/31/244152831.db2.gz BZATYPIZAHNFHY-QGZVFWFLSA-N 1 2 342.443 3.049 40 0 EGABLO Cc1ccc(C[C@H]2CC[C@@H]3CN(C(=O)c4ncccc4C)C[C@H]23)[nH+]c1 ZINC000257221492 244185234 /nfs/dbraw/zinc/18/52/34/244185234.db2.gz DPGGCUOMYGGGDF-ZHALLVOQSA-N 1 2 335.451 3.434 40 0 EGABLO CN(C)c1cc([C@H]2CCCN2C(=O)COc2ccc(F)cc2)cc[nH+]1 ZINC000257230549 244209278 /nfs/dbraw/zinc/20/92/78/244209278.db2.gz GCUSRNDBJUVYNI-QGZVFWFLSA-N 1 2 343.402 3.029 40 0 EGABLO Cc1cccc2nc(C(=O)N3CCC[C@@H]3c3cc[nH+]c(N(C)C)c3)cn21 ZINC000257219976 244180995 /nfs/dbraw/zinc/18/09/95/244180995.db2.gz DJAPAZGQYMHZCF-QGZVFWFLSA-N 1 2 349.438 3.081 40 0 EGABLO CNc1cc([C@H]2CCCN2C(=O)COc2ccccc2F)cc[nH+]1 ZINC000257243069 244247975 /nfs/dbraw/zinc/24/79/75/244247975.db2.gz IFIYTXQGZPDXDA-OAHLLOKOSA-N 1 2 329.375 3.005 40 0 EGABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](Cc2ccccn2)C1 ZINC000257264626 244359450 /nfs/dbraw/zinc/35/94/50/244359450.db2.gz LVIPIZQKBYVRDP-QGZVFWFLSA-N 1 2 348.450 3.221 40 0 EGABLO Cc1nc(C(=O)N2C[C@@H]3[C@@H](Cc4ccc(C)c[nH+]4)CC[C@@H]3C2)co1 ZINC000257262286 244350136 /nfs/dbraw/zinc/35/01/36/244350136.db2.gz LKVNOWGRBGRMSK-BFYDXBDKSA-N 1 2 325.412 3.027 40 0 EGABLO CCCc1cc(C(=O)N2CCC[C@@H](c3cc[nH+]c(NC)c3)C2)no1 ZINC000257335301 244560537 /nfs/dbraw/zinc/56/05/37/244560537.db2.gz YJOJVYFQLNBEPM-CQSZACIVSA-N 1 2 328.416 3.084 40 0 EGABLO ClC(Cl)(Cl)[C@H]([NH2+]CCN1CCOCC1)c1ccccc1 ZINC000019365983 212023002 /nfs/dbraw/zinc/02/30/02/212023002.db2.gz CHFRXZMCDPCUBY-CYBMUJFWSA-N 1 2 337.678 3.020 40 0 EGABLO O=C(CCCn1cc[nH+]c1)N[C@H](Cc1cccs1)c1nccs1 ZINC000019343294 212017878 /nfs/dbraw/zinc/01/78/78/212017878.db2.gz QKQPAMUGXIRFPL-CQSZACIVSA-N 1 2 346.481 3.282 40 0 EGABLO COc1ccc(C2CC[NH+](Cc3nnnn3C3CCCC3)CC2)cc1 ZINC000012113925 211292540 /nfs/dbraw/zinc/29/25/40/211292540.db2.gz GDKWEXGPHFIJTK-UHFFFAOYSA-N 1 2 341.459 3.176 40 0 EGABLO c1cn(-c2ccc(NCc3[nH+]ccn3Cc3ccccc3)cc2)nn1 ZINC000095428929 218372024 /nfs/dbraw/zinc/37/20/24/218372024.db2.gz QXMYGZXHJOYWCF-UHFFFAOYSA-N 1 2 330.395 3.124 40 0 EGABLO CCC(C)(C)n1nnnc1[C@H](c1cccnc1)[N@@H+]1CCC[C@H](C)C1 ZINC000004925254 210326393 /nfs/dbraw/zinc/32/63/93/210326393.db2.gz KIKRQLRYJQSANT-HOCLYGCPSA-N 1 2 328.464 3.035 40 0 EGABLO CCC(C)(C)n1nnnc1[C@H](c1cccnc1)[N@H+]1CCC[C@H](C)C1 ZINC000004925254 210326399 /nfs/dbraw/zinc/32/63/99/210326399.db2.gz KIKRQLRYJQSANT-HOCLYGCPSA-N 1 2 328.464 3.035 40 0 EGABLO Cc1cc(C)nc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000097378599 219019883 /nfs/dbraw/zinc/01/98/83/219019883.db2.gz RPDQMPKKHDCWNQ-INIZCTEOSA-N 1 2 339.443 3.004 40 0 EGABLO Cc1cc(NC(=O)NCc2cccnc2OCC(F)(F)F)cc[nH+]1 ZINC000119757495 221393888 /nfs/dbraw/zinc/39/38/88/221393888.db2.gz WXKDWCMVXSFFBM-UHFFFAOYSA-N 1 2 340.305 3.048 40 0 EGABLO COc1cc([C@@H]2Nc3cc(Cl)ccc3C3=[NH+]CCN32)ccc1O ZINC000012188502 286246316 /nfs/dbraw/zinc/24/63/16/286246316.db2.gz QKXJDMDBUISVJZ-MRXNPFEDSA-N 1 2 329.787 3.241 40 0 EGABLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000189723869 153092709 /nfs/dbraw/zinc/09/27/09/153092709.db2.gz FXPDGZUVYFKKPU-HNNXBMFYSA-N 1 2 342.491 3.437 40 0 EGABLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000189723869 153092712 /nfs/dbraw/zinc/09/27/12/153092712.db2.gz FXPDGZUVYFKKPU-HNNXBMFYSA-N 1 2 342.491 3.437 40 0 EGABLO C[N@@H+]1CCc2nc(NC(=O)c3csc4c3CCCC4)sc2C1 ZINC000023607195 277188944 /nfs/dbraw/zinc/18/89/44/277188944.db2.gz FOVKATHOXNPAHM-UHFFFAOYSA-N 1 2 333.482 3.324 40 0 EGABLO C[N@H+]1CCc2nc(NC(=O)c3csc4c3CCCC4)sc2C1 ZINC000023607195 277188946 /nfs/dbraw/zinc/18/89/46/277188946.db2.gz FOVKATHOXNPAHM-UHFFFAOYSA-N 1 2 333.482 3.324 40 0 EGABLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000093384964 454709424 /nfs/dbraw/zinc/70/94/24/454709424.db2.gz XTMHOUCBCFITLB-VIFPVBQESA-N 1 2 343.798 3.224 40 0 EGABLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000093384964 454709428 /nfs/dbraw/zinc/70/94/28/454709428.db2.gz XTMHOUCBCFITLB-VIFPVBQESA-N 1 2 343.798 3.224 40 0 EGABLO C[NH2+]/C=C(/c1ccc(OC)cc1)[C@H](O)c1ccc(OC)c(OC)c1 ZINC000001631767 452671439 /nfs/dbraw/zinc/67/14/39/452671439.db2.gz UGLPTDGOQCOHRD-KVVHSQDJSA-N 1 2 329.396 3.006 40 0 EGABLO CC(C)N1c2ccccc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635204 453475916 /nfs/dbraw/zinc/47/59/16/453475916.db2.gz AYURPZJAULEITM-OAQYLSRUSA-N 1 2 331.419 3.312 40 0 EGABLO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)NC1CCCC1 ZINC000016588872 453613615 /nfs/dbraw/zinc/61/36/15/453613615.db2.gz ZCLKODVXUMSHHA-HNNXBMFYSA-N 1 2 329.469 3.492 40 0 EGABLO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)NC1CCCC1 ZINC000016588872 453613620 /nfs/dbraw/zinc/61/36/20/453613620.db2.gz ZCLKODVXUMSHHA-HNNXBMFYSA-N 1 2 329.469 3.492 40 0 EGABLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000024082421 453724660 /nfs/dbraw/zinc/72/46/60/453724660.db2.gz DNSLAPCEADCPGK-UHFFFAOYSA-N 1 2 344.480 3.332 40 0 EGABLO COc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3)CC2)cc1F ZINC000024368050 453731714 /nfs/dbraw/zinc/73/17/14/453731714.db2.gz IBUIXCQPGPGVMO-UHFFFAOYSA-N 1 2 343.402 3.184 40 0 EGABLO Cc1cccc(N2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)c1 ZINC000032851055 453893645 /nfs/dbraw/zinc/89/36/45/453893645.db2.gz NBHCCOVWJYJJCD-UHFFFAOYSA-N 1 2 340.452 3.429 40 0 EGABLO O=C1N2CC[N@@H+](Cc3ccccc3F)C[C@@H]2CN1C1CCCCC1 ZINC000077266864 454083721 /nfs/dbraw/zinc/08/37/21/454083721.db2.gz DIDKPQBHCASLGP-QGZVFWFLSA-N 1 2 331.435 3.080 40 0 biogenic,in-vitro EGABLO O=C1N2CC[N@H+](Cc3ccccc3F)C[C@@H]2CN1C1CCCCC1 ZINC000077266864 454083725 /nfs/dbraw/zinc/08/37/25/454083725.db2.gz DIDKPQBHCASLGP-QGZVFWFLSA-N 1 2 331.435 3.080 40 0 biogenic,in-vitro EGABLO CC[C@H](c1nnnn1C(C)C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670131 454140156 /nfs/dbraw/zinc/14/01/56/454140156.db2.gz JOTYNHPHMBNYBJ-QGZVFWFLSA-N 1 2 342.491 3.144 40 0 EGABLO COc1cccc(OC)c1C(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000058465260 454206927 /nfs/dbraw/zinc/20/69/27/454206927.db2.gz PBZNBHVLJSJEGA-UHFFFAOYSA-N 1 2 326.352 3.017 40 0 EGABLO CCNc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213084 454274042 /nfs/dbraw/zinc/27/40/42/454274042.db2.gz MDJFWYCAYMSWIW-QGZVFWFLSA-N 1 2 345.468 3.348 40 0 EGABLO Cc1ccc([C@H](CNC(=O)c2n[nH]c3ccccc32)[NH+]2CCCC2)cc1 ZINC000060239027 454274332 /nfs/dbraw/zinc/27/43/32/454274332.db2.gz ROPSOPCTCKXNJO-IBGZPJMESA-N 1 2 348.450 3.438 40 0 EGABLO Fc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)cc1 ZINC000096057999 454275529 /nfs/dbraw/zinc/27/55/29/454275529.db2.gz ZYCKNHXWGGEDOT-XUVXKRRUSA-N 1 2 342.414 3.169 40 0 EGABLO Fc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)cc1 ZINC000096057999 454275533 /nfs/dbraw/zinc/27/55/33/454275533.db2.gz ZYCKNHXWGGEDOT-XUVXKRRUSA-N 1 2 342.414 3.169 40 0 EGABLO Cc1ccc(C[N@H+](Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000078708619 454303353 /nfs/dbraw/zinc/30/33/53/454303353.db2.gz DURZQJKQJZUHLW-LJQANCHMSA-N 1 2 329.465 3.184 40 0 EGABLO Cc1ccc(C[N@@H+](Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000078708619 454303359 /nfs/dbraw/zinc/30/33/59/454303359.db2.gz DURZQJKQJZUHLW-LJQANCHMSA-N 1 2 329.465 3.184 40 0 EGABLO C[C@@H](NC(=O)CSc1ccncc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432115 454343314 /nfs/dbraw/zinc/34/33/14/454343314.db2.gz ZGXGKRALJUFIDQ-CQSZACIVSA-N 1 2 338.436 3.237 40 0 EGABLO C[C@@H](NC(=O)CCCc1ccccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432113 454343469 /nfs/dbraw/zinc/34/34/69/454343469.db2.gz IKITXCSSGHFNOG-MRXNPFEDSA-N 1 2 334.423 3.467 40 0 EGABLO Cc1ccc(CCNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000096440073 454349391 /nfs/dbraw/zinc/34/93/91/454349391.db2.gz DWBQPRBGWYUIOW-INIZCTEOSA-N 1 2 349.438 3.179 40 0 EGABLO CC(=O)N(C)c1cccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000096461751 454359551 /nfs/dbraw/zinc/35/95/51/454359551.db2.gz QSIRDWRHJDCEAB-INIZCTEOSA-N 1 2 341.415 3.152 40 0 EGABLO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)NCCC(C)(C)C ZINC000097475775 454437922 /nfs/dbraw/zinc/43/79/22/454437922.db2.gz YGAMIOKNMXTGCW-UHFFFAOYSA-N 1 2 326.868 3.333 40 0 EGABLO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)NCCC(C)(C)C ZINC000097475775 454437926 /nfs/dbraw/zinc/43/79/26/454437926.db2.gz YGAMIOKNMXTGCW-UHFFFAOYSA-N 1 2 326.868 3.333 40 0 EGABLO Cc1c(CNc2cccc(-c3ccc4c(c3)OCCO4)[nH+]2)cnn1C ZINC000162303925 454765806 /nfs/dbraw/zinc/76/58/06/454765806.db2.gz ACCNYVLVVOKYPV-UHFFFAOYSA-N 1 2 336.395 3.174 40 0 EGABLO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cc2nnnn2CC(F)(F)F)c1 ZINC000190940381 455410641 /nfs/dbraw/zinc/41/06/41/455410641.db2.gz NONZFPGNCHZNDT-CQSZACIVSA-N 1 2 339.365 3.189 40 0 EGABLO Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2nnnn2CC(F)(F)F)c1 ZINC000190940381 455410647 /nfs/dbraw/zinc/41/06/47/455410647.db2.gz NONZFPGNCHZNDT-CQSZACIVSA-N 1 2 339.365 3.189 40 0 EGABLO Cc1ccc(C(=O)CC[N@H+]2CCSC[C@@H]2c2cnn(C)c2)cc1 ZINC000191221345 455466527 /nfs/dbraw/zinc/46/65/27/455466527.db2.gz FQJFGKSAAJJGKA-QGZVFWFLSA-N 1 2 329.469 3.091 40 0 EGABLO Cc1ccc(C(=O)CC[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)cc1 ZINC000191221345 455466530 /nfs/dbraw/zinc/46/65/30/455466530.db2.gz FQJFGKSAAJJGKA-QGZVFWFLSA-N 1 2 329.469 3.091 40 0 EGABLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc3sccc3[nH]1)C2 ZINC000192104427 455557088 /nfs/dbraw/zinc/55/70/88/455557088.db2.gz VKZPGXJLQDKKFM-UHFFFAOYSA-N 1 2 328.441 3.285 40 0 EGABLO Cc1csc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)n1 ZINC000247972333 455663092 /nfs/dbraw/zinc/66/30/92/455663092.db2.gz SUIVLFQZIKTINK-OAHLLOKOSA-N 1 2 347.509 3.123 40 0 EGABLO CCN1CC[C@H]([NH2+]Cc2noc(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252537103 455820763 /nfs/dbraw/zinc/82/07/63/455820763.db2.gz KHOQBJJRAZEVDW-GOEBONIOSA-N 1 2 338.814 3.096 40 0 EGABLO CC[N@@H+]1CC[C@H](NCc2noc(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252537103 455820767 /nfs/dbraw/zinc/82/07/67/455820767.db2.gz KHOQBJJRAZEVDW-GOEBONIOSA-N 1 2 338.814 3.096 40 0 EGABLO CC[N@H+]1CC[C@H](NCc2noc(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252537103 455820771 /nfs/dbraw/zinc/82/07/71/455820771.db2.gz KHOQBJJRAZEVDW-GOEBONIOSA-N 1 2 338.814 3.096 40 0 EGABLO O=C(NCCc1cccc2[nH]ccc21)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000253398369 455839817 /nfs/dbraw/zinc/83/98/17/455839817.db2.gz SVFBROQIXOBDKU-KRWDZBQOSA-N 1 2 337.427 3.370 40 0 EGABLO Cc1nc(N2CCC(OC[C@H]3CCCCO3)CC2)c2c([nH+]1)CCCC2 ZINC000253425765 455845534 /nfs/dbraw/zinc/84/55/34/455845534.db2.gz DNPJQSNLBPWDAV-QGZVFWFLSA-N 1 2 345.487 3.218 40 0 EGABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1Cc1nccs1 ZINC000257302945 455886961 /nfs/dbraw/zinc/88/69/61/455886961.db2.gz SFBWAMZUNZXTQH-AWEZNQCLSA-N 1 2 326.425 3.105 40 0 EGABLO CN(C)c1cc([C@H]2CCCN2C(=O)Cc2ccccc2F)cc[nH+]1 ZINC000257331394 455893361 /nfs/dbraw/zinc/89/33/61/455893361.db2.gz XSRCHCUVZKBENS-QGZVFWFLSA-N 1 2 327.403 3.193 40 0 EGABLO CNc1cc([C@H]2CCCN2C(=O)Cc2cccc(OC)c2)cc[nH+]1 ZINC000257342157 455896277 /nfs/dbraw/zinc/89/62/77/455896277.db2.gz ZNHNISGTBOFVQU-QGZVFWFLSA-N 1 2 325.412 3.038 40 0 EGABLO CN(C(=O)c1nccc2ccccc21)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257340234 455896333 /nfs/dbraw/zinc/89/63/33/455896333.db2.gz ZFDSBJXZQFLMFV-KRWDZBQOSA-N 1 2 346.434 3.371 40 0 EGABLO Clc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3[nH]cc[nH+]3)n2)c1 ZINC000225400456 456079633 /nfs/dbraw/zinc/07/96/33/456079633.db2.gz GLJTWTXVRULTKP-HNNXBMFYSA-N 1 2 343.818 3.027 40 0 biogenic,in-vitro EGABLO COc1ccc(-c2c[nH+]c3n2CCN(C(=O)C2CCCC2)CC3)cc1 ZINC000585110997 459826158 /nfs/dbraw/zinc/82/61/58/459826158.db2.gz AHOFKXUTMRTRDL-UHFFFAOYSA-N 1 2 339.439 3.134 40 0 EGABLO O=C(C[NH+]1CCC(c2nc3ccccc3o2)CC1)Nc1nccs1 ZINC000040473575 213311780 /nfs/dbraw/zinc/31/17/80/213311780.db2.gz PXUYOGKRFIUREQ-UHFFFAOYSA-N 1 2 342.424 3.102 40 0 EGABLO COc1ccc(OC)c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000038834799 213228133 /nfs/dbraw/zinc/22/81/33/213228133.db2.gz FPNNUFGBBBOCNP-UHFFFAOYSA-N 1 2 337.379 3.201 40 0 EGABLO CCOc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2cc(C)n[nH]2)cc1 ZINC000036752952 213117777 /nfs/dbraw/zinc/11/77/77/213117777.db2.gz YRHUVFXLGMQMOB-UHFFFAOYSA-N 1 2 325.416 3.139 40 0 EGABLO CCOc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2cc(C)n[nH]2)cc1 ZINC000036752952 213117779 /nfs/dbraw/zinc/11/77/79/213117779.db2.gz YRHUVFXLGMQMOB-UHFFFAOYSA-N 1 2 325.416 3.139 40 0 EGABLO Cc1cccc(C2=NO[C@@H]3C[N@@H+](Cc4cnc(C(C)C)nc4)C[C@@H]23)c1 ZINC000072343241 216159097 /nfs/dbraw/zinc/15/90/97/216159097.db2.gz XCZFSXAXDVLJBU-QZTJIDSGSA-N 1 2 336.439 3.143 40 0 EGABLO Cc1cccc(C2=NO[C@@H]3C[N@H+](Cc4cnc(C(C)C)nc4)C[C@@H]23)c1 ZINC000072343241 216159100 /nfs/dbraw/zinc/15/91/00/216159100.db2.gz XCZFSXAXDVLJBU-QZTJIDSGSA-N 1 2 336.439 3.143 40 0 EGABLO CCOC(=O)c1nc(-c2ccccc2)oc1C[NH+]1CCSCC1 ZINC000072515025 216266329 /nfs/dbraw/zinc/26/63/29/216266329.db2.gz ZSLPUMJEJZWLIK-UHFFFAOYSA-N 1 2 332.425 3.067 40 0 EGABLO C[C@@H](NC(=O)C1CCCCC1)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023180868 212358082 /nfs/dbraw/zinc/35/80/82/212358082.db2.gz ODQFJWCLFJSXEX-RHSMWYFYSA-N 1 2 336.501 3.206 40 0 EGABLO CCSc1nnc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000224836330 241780008 /nfs/dbraw/zinc/78/00/08/241780008.db2.gz NODGHRJSQUXKNO-UHFFFAOYSA-N 1 2 345.453 3.147 40 0 EGABLO Fc1ccc(F)c(C[NH+]2CC3(C2)CO[C@H](Cc2cccnc2)C3)c1 ZINC000257209193 244142596 /nfs/dbraw/zinc/14/25/96/244142596.db2.gz BPINKFXWTWGDDW-QGZVFWFLSA-N 1 2 330.378 3.193 40 0 EGABLO Cc1sc(NC(=O)c2ccccc2)c(C[NH+]2CCOCC2)c1C ZINC000020193313 212109477 /nfs/dbraw/zinc/10/94/77/212109477.db2.gz ZGWWQISMJPMHMV-UHFFFAOYSA-N 1 2 330.453 3.449 40 0 EGABLO Cc1ccc(C)c(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000020112213 212102901 /nfs/dbraw/zinc/10/29/01/212102901.db2.gz TZROKLDRZKRKBP-UHFFFAOYSA-N 1 2 335.407 3.184 40 0 EGABLO CSc1ccccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020037718 212096187 /nfs/dbraw/zinc/09/61/87/212096187.db2.gz REAWPPNUZCIHEE-UHFFFAOYSA-N 1 2 342.464 3.493 40 0 EGABLO CN(C(=O)c1ccc2ccccc2n1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257277629 244397075 /nfs/dbraw/zinc/39/70/75/244397075.db2.gz NYUCAHWNZNFKKD-QGZVFWFLSA-N 1 2 346.434 3.371 40 0 EGABLO Cc1[nH+]c(C2CCN(C(=O)c3cscn3)CC2)c2sccn12 ZINC000019240823 212008740 /nfs/dbraw/zinc/00/87/40/212008740.db2.gz WQEDITSBGAHFCY-UHFFFAOYSA-N 1 2 332.454 3.181 40 0 EGABLO Cc1ncsc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000078774620 217118509 /nfs/dbraw/zinc/11/85/09/217118509.db2.gz WYUXUOOVDAJMDN-UHFFFAOYSA-N 1 2 342.424 3.001 40 0 EGABLO CSc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)o1 ZINC000078996106 217168711 /nfs/dbraw/zinc/16/87/11/217168711.db2.gz FIBIBPQJOALDOV-OAHLLOKOSA-N 1 2 345.399 3.394 40 0 EGABLO CCOc1ccccc1C[N@@H+](Cc1cn2ccsc2n1)C[C@@H](C)O ZINC000079099881 217193089 /nfs/dbraw/zinc/19/30/89/217193089.db2.gz HDINHSCXXHKNDZ-CQSZACIVSA-N 1 2 345.468 3.178 40 0 EGABLO CCOc1ccccc1C[N@H+](Cc1cn2ccsc2n1)C[C@@H](C)O ZINC000079099881 217193093 /nfs/dbraw/zinc/19/30/93/217193093.db2.gz HDINHSCXXHKNDZ-CQSZACIVSA-N 1 2 345.468 3.178 40 0 EGABLO COc1cc[nH+]cc1NC(=O)c1ccc(F)c(COCC2CC2)c1 ZINC000079843664 217257738 /nfs/dbraw/zinc/25/77/38/217257738.db2.gz MRCWTSBKPWPIIU-UHFFFAOYSA-N 1 2 330.359 3.408 40 0 EGABLO CCCNC(=O)c1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)nc1 ZINC000080948960 217344683 /nfs/dbraw/zinc/34/46/83/217344683.db2.gz LPOZJVHNUUQYMY-UHFFFAOYSA-N 1 2 349.438 3.078 40 0 EGABLO CCc1[nH+]c2cc(NC(=O)c3cc(C(C)C)nn3C)ccc2n1C ZINC000012147367 211307231 /nfs/dbraw/zinc/30/72/31/211307231.db2.gz XJSFKLFGQBJQHD-UHFFFAOYSA-N 1 2 325.416 3.245 40 0 EGABLO Cc1cccn2cc(-c3ccc(N[C@H](C)CS(C)(=O)=O)cc3)[nH+]c12 ZINC000097232102 219000451 /nfs/dbraw/zinc/00/04/51/219000451.db2.gz USKNAAUHGJMMLN-CQSZACIVSA-N 1 2 343.452 3.155 40 0 EGABLO OC1(c2cccnc2F)CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000019292575 285241874 /nfs/dbraw/zinc/24/18/74/285241874.db2.gz VDSNTDQZJUADFA-UHFFFAOYSA-N 1 2 338.785 3.497 40 0 EGABLO COc1cc2c(cc1OC)[C@H](c1ccncc1)[NH2+][C@H](c1cccnc1)C2 ZINC000019550773 277394742 /nfs/dbraw/zinc/39/47/42/277394742.db2.gz ZTKMBARPHZPBOO-RXVVDRJESA-N 1 2 347.418 3.470 40 0 EGABLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1Cc1ncnn1CCF ZINC000242048166 295390379 /nfs/dbraw/zinc/39/03/79/295390379.db2.gz VTKBWWXJRYULKQ-ZBFHGGJFSA-N 1 2 332.423 3.229 40 0 EGABLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1ncnn1CCF ZINC000242048166 295390382 /nfs/dbraw/zinc/39/03/82/295390382.db2.gz VTKBWWXJRYULKQ-ZBFHGGJFSA-N 1 2 332.423 3.229 40 0 EGABLO COCC[NH+](CCOC)[C@@H](C(=O)Cc1ccccc1)c1ccccc1 ZINC000001664785 452672496 /nfs/dbraw/zinc/67/24/96/452672496.db2.gz DCMKAWDMUNJOBN-OAQYLSRUSA-N 1 2 341.451 3.134 40 0 EGABLO Cc1nc2cc([C@@H]3CC[N@H+](Cc4ccccc4F)C3)[nH]n2c(=O)c1C ZINC000012746423 453397029 /nfs/dbraw/zinc/39/70/29/453397029.db2.gz AJQOACVTBOAOGE-OAHLLOKOSA-N 1 2 340.402 3.180 40 0 EGABLO Cc1nc2cc([C@@H]3CC[N@@H+](Cc4ccccc4F)C3)[nH]n2c(=O)c1C ZINC000012746423 453397036 /nfs/dbraw/zinc/39/70/36/453397036.db2.gz AJQOACVTBOAOGE-OAHLLOKOSA-N 1 2 340.402 3.180 40 0 EGABLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3cccs3)n2)c1 ZINC000015674396 453582297 /nfs/dbraw/zinc/58/22/97/453582297.db2.gz QNBDOTDPQVWYJP-ZBFHGGJFSA-N 1 2 341.436 3.414 40 0 biogenic,in-vitro EGABLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3cccs3)n2)c1 ZINC000015674396 453582303 /nfs/dbraw/zinc/58/23/03/453582303.db2.gz QNBDOTDPQVWYJP-ZBFHGGJFSA-N 1 2 341.436 3.414 40 0 biogenic,in-vitro EGABLO Cc1ccc(/C=C/C(=O)NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000030012457 453833383 /nfs/dbraw/zinc/83/33/83/453833383.db2.gz SFTPIUDPADVAEK-VOTSOKGWSA-N 1 2 327.453 3.381 40 0 EGABLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000084128980 453971334 /nfs/dbraw/zinc/97/13/34/453971334.db2.gz GWXOBAPIOUIAOK-QGZVFWFLSA-N 1 2 343.423 3.362 40 0 EGABLO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000084128980 453971336 /nfs/dbraw/zinc/97/13/36/453971336.db2.gz GWXOBAPIOUIAOK-QGZVFWFLSA-N 1 2 343.423 3.362 40 0 EGABLO Clc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000067898542 453978641 /nfs/dbraw/zinc/97/86/41/453978641.db2.gz UOXKRZSTEVKESR-KRWDZBQOSA-N 1 2 347.846 3.282 40 0 biogenic,in-vitro EGABLO Clc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000067898542 453978646 /nfs/dbraw/zinc/97/86/46/453978646.db2.gz UOXKRZSTEVKESR-KRWDZBQOSA-N 1 2 347.846 3.282 40 0 biogenic,in-vitro EGABLO CCO[C@H]1CCCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000077446174 454106822 /nfs/dbraw/zinc/10/68/22/454106822.db2.gz RLXYHENLUGKIMF-INIZCTEOSA-N 1 2 328.416 3.120 40 0 EGABLO Cc1cc(N(C)C)[nH+]cc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072218720 454275356 /nfs/dbraw/zinc/27/53/56/454275356.db2.gz UDGDKJKAHIGEIV-UHFFFAOYSA-N 1 2 335.448 3.334 40 0 EGABLO COC[C@@H]1C[N@H+](Cc2ccccn2)Cc2cn(CC3CCCC3)nc21 ZINC000096198177 454302485 /nfs/dbraw/zinc/30/24/85/454302485.db2.gz SFTBJAIXMGUXES-SFHVURJKSA-N 1 2 340.471 3.214 40 0 EGABLO COC[C@@H]1C[N@@H+](Cc2ccccn2)Cc2cn(CC3CCCC3)nc21 ZINC000096198177 454302491 /nfs/dbraw/zinc/30/24/91/454302491.db2.gz SFTBJAIXMGUXES-SFHVURJKSA-N 1 2 340.471 3.214 40 0 EGABLO Cc1c[nH+]ccc1NC(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000120444200 454302973 /nfs/dbraw/zinc/30/29/73/454302973.db2.gz YDLKXTGMIIZBCG-UHFFFAOYSA-N 1 2 329.404 3.487 40 0 EGABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2csc3ccccc23)C1 ZINC000096207039 454304182 /nfs/dbraw/zinc/30/41/82/454304182.db2.gz FDAOXXIKLALBPR-CYBMUJFWSA-N 1 2 341.436 3.016 40 0 EGABLO Cc1csc(N(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)C2CC2)n1 ZINC000096418443 454334409 /nfs/dbraw/zinc/33/44/09/454334409.db2.gz JAKYGHUBCSJLOD-AWEZNQCLSA-N 1 2 342.468 3.259 40 0 EGABLO Cc1ccc2cccc(C(=O)NCCc3[nH+]ccn3C(F)F)c2n1 ZINC000096420747 454335533 /nfs/dbraw/zinc/33/55/33/454335533.db2.gz QKSKUHNICDMOIT-UHFFFAOYSA-N 1 2 330.338 3.107 40 0 EGABLO Cc1[nH+]c2ccccn2c1CSc1nnc(N(C)C)n1C(C)C ZINC000096424914 454338579 /nfs/dbraw/zinc/33/85/79/454338579.db2.gz DCVSDFJTORXQGT-UHFFFAOYSA-N 1 2 330.461 3.173 40 0 EGABLO CCc1csc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000096435574 454347322 /nfs/dbraw/zinc/34/73/22/454347322.db2.gz CXRSOQJBFLPRAF-UHFFFAOYSA-N 1 2 341.440 3.272 40 0 EGABLO CN(Cc1ccco1)C(=O)C[N@H+](C)[C@H](c1ccccc1)c1ccccn1 ZINC000079354197 454401711 /nfs/dbraw/zinc/40/17/11/454401711.db2.gz BVKPMOGTSPDMET-OAQYLSRUSA-N 1 2 349.434 3.354 40 0 EGABLO CN(Cc1ccco1)C(=O)C[N@@H+](C)[C@H](c1ccccc1)c1ccccn1 ZINC000079354197 454401714 /nfs/dbraw/zinc/40/17/14/454401714.db2.gz BVKPMOGTSPDMET-OAQYLSRUSA-N 1 2 349.434 3.354 40 0 EGABLO Cc1noc(C)c1C[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000134707736 454581011 /nfs/dbraw/zinc/58/10/11/454581011.db2.gz RBAPTCCBUVSBDX-MSOLQXFVSA-N 1 2 349.862 3.106 40 0 EGABLO Cc1noc(C)c1CN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000134707736 454581013 /nfs/dbraw/zinc/58/10/13/454581013.db2.gz RBAPTCCBUVSBDX-MSOLQXFVSA-N 1 2 349.862 3.106 40 0 EGABLO Cc1noc(C)c1CN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000134707736 454581015 /nfs/dbraw/zinc/58/10/15/454581015.db2.gz RBAPTCCBUVSBDX-MSOLQXFVSA-N 1 2 349.862 3.106 40 0 EGABLO FC(F)Oc1ccc[nH+]c1NCc1cncc(Br)c1 ZINC000189272879 455167528 /nfs/dbraw/zinc/16/75/28/455167528.db2.gz GLMKUWVWXGXAHB-UHFFFAOYSA-N 1 2 330.132 3.453 40 0 EGABLO Cc1noc(C)c1C[N@H+]1Cc2ccnn2C[C@H](OCC2CCCC2)C1 ZINC000252006402 455802034 /nfs/dbraw/zinc/80/20/34/455802034.db2.gz OYKJUQNPSXQKPS-GOSISDBHSA-N 1 2 344.459 3.079 40 0 EGABLO Cc1noc(C)c1C[N@@H+]1Cc2ccnn2C[C@H](OCC2CCCC2)C1 ZINC000252006402 455802037 /nfs/dbraw/zinc/80/20/37/455802037.db2.gz OYKJUQNPSXQKPS-GOSISDBHSA-N 1 2 344.459 3.079 40 0 EGABLO Cc1noc(C)c1C[N@H+]1Cc2ccnn2C[C@@H](OCC2CCCC2)C1 ZINC000252006405 455802273 /nfs/dbraw/zinc/80/22/73/455802273.db2.gz OYKJUQNPSXQKPS-SFHVURJKSA-N 1 2 344.459 3.079 40 0 EGABLO Cc1noc(C)c1C[N@@H+]1Cc2ccnn2C[C@@H](OCC2CCCC2)C1 ZINC000252006405 455802277 /nfs/dbraw/zinc/80/22/77/455802277.db2.gz OYKJUQNPSXQKPS-SFHVURJKSA-N 1 2 344.459 3.079 40 0 EGABLO COc1ccccc1CC(=O)N1CCC[C@@H]1c1cccc2[nH+]ccn21 ZINC000257294204 455885088 /nfs/dbraw/zinc/88/50/88/455885088.db2.gz QTASONUSGNDZPN-QGZVFWFLSA-N 1 2 335.407 3.249 40 0 EGABLO CN(C(=O)CCc1cccs1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257319742 455891043 /nfs/dbraw/zinc/89/10/43/455891043.db2.gz VTXJOLDJPAGSCJ-OAHLLOKOSA-N 1 2 329.469 3.203 40 0 EGABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2c(C)oc3c2CCCC3)[nH+]1 ZINC000257330258 455893076 /nfs/dbraw/zinc/89/30/76/455893076.db2.gz XNPUVVSCQGIRKJ-HNNXBMFYSA-N 1 2 327.428 3.486 40 0 EGABLO Cc1ccc([C@H]2C[N@H+](Cc3cnn(C4CCCC4)c3)CCO2)nc1 ZINC000257335259 455894816 /nfs/dbraw/zinc/89/48/16/455894816.db2.gz YJJGXDWBHAWFFR-LJQANCHMSA-N 1 2 326.444 3.275 40 0 EGABLO Cc1ccc([C@H]2C[N@@H+](Cc3cnn(C4CCCC4)c3)CCO2)nc1 ZINC000257335259 455894821 /nfs/dbraw/zinc/89/48/21/455894821.db2.gz YJJGXDWBHAWFFR-LJQANCHMSA-N 1 2 326.444 3.275 40 0 EGABLO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000195547052 455982308 /nfs/dbraw/zinc/98/23/08/455982308.db2.gz LKESYTWSCKOIMC-GARJFASQSA-N 1 2 331.243 3.430 40 0 EGABLO S=C(NCC1(c2ccccc2)CCOCC1)Nc1cc[nH+]cc1 ZINC000224012061 456063404 /nfs/dbraw/zinc/06/34/04/456063404.db2.gz GXBAYOYKZPEEKR-UHFFFAOYSA-N 1 2 327.453 3.116 40 0 EGABLO Cc1nc(-c2ccc(C(=O)N3CC[C@@H](c4[nH]cc[nH+]4)C3)cc2)cs1 ZINC000585140856 459830179 /nfs/dbraw/zinc/83/01/79/459830179.db2.gz LTOGCKXUJULKOM-OAHLLOKOSA-N 1 2 338.436 3.471 40 0 EGABLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000066317672 215033146 /nfs/dbraw/zinc/03/31/46/215033146.db2.gz UFYZDMJVNRAFRX-VQTJNVASSA-N 1 2 331.419 3.351 40 0 EGABLO C[NH+]1CCN(C2=Nc3cc(Cl)c(O)cc3Nc3ccccc32)CC1 ZINC000067665016 215177789 /nfs/dbraw/zinc/17/77/89/215177789.db2.gz OGZLSMWTACJBSH-UHFFFAOYSA-N 1 2 342.830 3.428 40 0 in-vitro EGABLO CC1(C)CN([C@@H](C[NH2+]Cc2ccn[nH]2)c2ccc(Cl)cc2)CCO1 ZINC000103345949 219292631 /nfs/dbraw/zinc/29/26/31/219292631.db2.gz OTNNOFIGFFJXNE-KRWDZBQOSA-N 1 2 348.878 3.005 40 0 EGABLO Cc1nnc(C[NH+]2CCC(c3ccccc3Br)CC2)n1C ZINC000189815017 237276911 /nfs/dbraw/zinc/27/69/11/237276911.db2.gz YEVOLAVBFHDQCO-UHFFFAOYSA-N 1 2 349.276 3.266 40 0 EGABLO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000072351375 216162907 /nfs/dbraw/zinc/16/29/07/216162907.db2.gz NBXNQVGIPQVSTH-HNNXBMFYSA-N 1 2 332.835 3.102 40 0 EGABLO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1 ZINC000072351375 216162908 /nfs/dbraw/zinc/16/29/08/216162908.db2.gz NBXNQVGIPQVSTH-HNNXBMFYSA-N 1 2 332.835 3.102 40 0 EGABLO CCc1nnc(Nc2cnc([C@@H]3CCC[N@@H+](C(C)C)C3)cn2)s1 ZINC000072361663 216167972 /nfs/dbraw/zinc/16/79/72/216167972.db2.gz BCRWMOLFJNHMTC-GFCCVEGCSA-N 1 2 332.477 3.222 40 0 EGABLO CCc1nnc(Nc2cnc([C@@H]3CCC[N@H+](C(C)C)C3)cn2)s1 ZINC000072361663 216167974 /nfs/dbraw/zinc/16/79/74/216167974.db2.gz BCRWMOLFJNHMTC-GFCCVEGCSA-N 1 2 332.477 3.222 40 0 EGABLO FC(F)(F)c1nnc(NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000195575624 241022816 /nfs/dbraw/zinc/02/28/16/241022816.db2.gz MHOSQAMOSQGNLY-UHFFFAOYSA-N 1 2 325.319 3.355 40 0 EGABLO Cc1nc2ccccc2c(C)c1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000242263340 243015778 /nfs/dbraw/zinc/01/57/78/243015778.db2.gz XYGBFEIQBNXRAM-UHFFFAOYSA-N 1 2 334.423 3.243 40 0 EGABLO c1cc2n(n1)[C@@H](CCOc1cccnc1)C[N@H+](Cc1ccsc1)C2 ZINC000247957028 243492198 /nfs/dbraw/zinc/49/21/98/243492198.db2.gz MOIWCOPCYRWXJH-KRWDZBQOSA-N 1 2 340.452 3.366 40 0 EGABLO c1cc2n(n1)[C@@H](CCOc1cccnc1)C[N@@H+](Cc1ccsc1)C2 ZINC000247957028 243492204 /nfs/dbraw/zinc/49/22/04/243492204.db2.gz MOIWCOPCYRWXJH-KRWDZBQOSA-N 1 2 340.452 3.366 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)cc[nH+]1 ZINC000257212731 244156855 /nfs/dbraw/zinc/15/68/55/244156855.db2.gz CERRNLPNUHANNZ-AWEZNQCLSA-N 1 2 328.416 3.255 40 0 EGABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc4ccc(F)cc4[nH]3)C2)[nH+]1 ZINC000257242225 244247853 /nfs/dbraw/zinc/24/78/53/244247853.db2.gz IBOYNYWZJOFMAZ-CQSZACIVSA-N 1 2 340.402 3.369 40 0 EGABLO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2Cc2c(F)cccc2F)ccn1 ZINC000257234025 244223784 /nfs/dbraw/zinc/22/37/84/244223784.db2.gz GRTVKDFIGDAORP-LJQANCHMSA-N 1 2 345.393 3.333 40 0 EGABLO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2c(F)cccc2F)ccn1 ZINC000257234025 244223791 /nfs/dbraw/zinc/22/37/91/244223791.db2.gz GRTVKDFIGDAORP-LJQANCHMSA-N 1 2 345.393 3.333 40 0 EGABLO CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](CC)CC1 ZINC000020105387 212101520 /nfs/dbraw/zinc/10/15/20/212101520.db2.gz BSEGSNDQKSZTAI-HNNXBMFYSA-N 1 2 326.893 3.375 40 0 EGABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3csc4c3CCCC4)C2)[nH+]1 ZINC000257263193 244351966 /nfs/dbraw/zinc/35/19/66/244351966.db2.gz LOUIJLSNRRMMBV-ZDUSSCGKSA-N 1 2 329.469 3.299 40 0 EGABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)[nH+]1 ZINC000257271882 244380345 /nfs/dbraw/zinc/38/03/45/244380345.db2.gz NADYZOBPVGZOQP-CQSZACIVSA-N 1 2 329.469 3.299 40 0 EGABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2c(C)oc3c2CCCC3)[nH+]1 ZINC000257330259 244547003 /nfs/dbraw/zinc/54/70/03/244547003.db2.gz XNPUVVSCQGIRKJ-OAHLLOKOSA-N 1 2 327.428 3.486 40 0 EGABLO Cc1[nH+]c([C@@H]2CCCN(C(=O)CCc3ccno3)C2)c2sccn12 ZINC000019240741 212009255 /nfs/dbraw/zinc/00/92/55/212009255.db2.gz TXJWCYNUHKDZNB-CYBMUJFWSA-N 1 2 344.440 3.031 40 0 EGABLO C[NH+](C)[C@H](CNC(=O)CC[C@@H]1CCCCO1)c1c(F)cccc1F ZINC000079362819 217215857 /nfs/dbraw/zinc/21/58/57/217215857.db2.gz QDKBFZQHSBQSNI-XJKSGUPXSA-N 1 2 340.414 3.033 40 0 EGABLO CC1CCN(c2ccc(CNC(=O)Cc3ccccc3F)c[nH+]2)CC1 ZINC000040122060 132398884 /nfs/dbraw/zinc/39/88/84/132398884.db2.gz DLACIZHMPVYKAG-UHFFFAOYSA-N 1 2 341.430 3.316 40 0 EGABLO Cc1cc2c(NCc3ccc(N4CCC(C)CC4)[nH+]c3)nccn2n1 ZINC000274707323 267275744 /nfs/dbraw/zinc/27/57/44/267275744.db2.gz AZWAKNKGFKXRLE-UHFFFAOYSA-N 1 2 336.443 3.281 40 0 EGABLO O=C(Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)c1cc[nH]c(=O)c1 ZINC000152152780 323220983 /nfs/dbraw/zinc/22/09/83/323220983.db2.gz GPZDGJKSZGMHKT-UHFFFAOYSA-N 1 2 341.754 3.468 40 0 EGABLO c1ccc([C@@H](c2nnnn2C2CCCC2)[NH+]2CCCCCC2)nc1 ZINC000001335920 452653862 /nfs/dbraw/zinc/65/38/62/452653862.db2.gz FWSZKWIFPQBSHK-KRWDZBQOSA-N 1 2 326.448 3.149 40 0 EGABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)CC[N@H+](Cc1ccccc1)C3 ZINC000012185417 453346842 /nfs/dbraw/zinc/34/68/42/453346842.db2.gz VQNPMSGMRIUHPF-UHFFFAOYSA-N 1 2 336.439 3.291 40 0 EGABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)CC[N@@H+](Cc1ccccc1)C3 ZINC000012185417 453346853 /nfs/dbraw/zinc/34/68/53/453346853.db2.gz VQNPMSGMRIUHPF-UHFFFAOYSA-N 1 2 336.439 3.291 40 0 EGABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1cc2c(cc1Cl)OCO2 ZINC000012186468 453348211 /nfs/dbraw/zinc/34/82/11/453348211.db2.gz LKJLCMQQHPVCCQ-BLLLJJGKSA-N 1 2 343.814 3.429 40 0 EGABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1cc2c(cc1Cl)OCO2 ZINC000012186468 453348227 /nfs/dbraw/zinc/34/82/27/453348227.db2.gz LKJLCMQQHPVCCQ-BLLLJJGKSA-N 1 2 343.814 3.429 40 0 EGABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@@H+](Cc1ccccc1F)C2 ZINC000012666989 453390556 /nfs/dbraw/zinc/39/05/56/453390556.db2.gz RCKYCCDZDQIRTO-UHFFFAOYSA-N 1 2 338.386 3.010 40 0 EGABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@H+](Cc1ccccc1F)C2 ZINC000012666989 453390562 /nfs/dbraw/zinc/39/05/62/453390562.db2.gz RCKYCCDZDQIRTO-UHFFFAOYSA-N 1 2 338.386 3.010 40 0 EGABLO C[N@@H+]1CCc2nc(NC(=O)CCc3c[nH]c4ccccc34)sc2C1 ZINC000024152253 453726538 /nfs/dbraw/zinc/72/65/38/453726538.db2.gz QOIQBEUOICWDAU-UHFFFAOYSA-N 1 2 340.452 3.184 40 0 EGABLO C[N@H+]1CCc2nc(NC(=O)CCc3c[nH]c4ccccc34)sc2C1 ZINC000024152253 453726542 /nfs/dbraw/zinc/72/65/42/453726542.db2.gz QOIQBEUOICWDAU-UHFFFAOYSA-N 1 2 340.452 3.184 40 0 EGABLO Cc1c2ccccc2oc1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000027988733 453821659 /nfs/dbraw/zinc/82/16/59/453821659.db2.gz FRNCYIJFXFKPDE-UHFFFAOYSA-N 1 2 349.434 3.137 40 0 EGABLO O=C(c1ccc(F)c(F)c1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028210629 453822738 /nfs/dbraw/zinc/82/27/38/453822738.db2.gz QJTOEEWZDDJIQI-UHFFFAOYSA-N 1 2 334.341 3.062 40 0 EGABLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H](C)n1cnc2ccccc21 ZINC000031818412 453855295 /nfs/dbraw/zinc/85/52/95/453855295.db2.gz ZSSPRPOQBPIDTK-AWEZNQCLSA-N 1 2 347.422 3.072 40 0 EGABLO CN(C)C(=O)c1cccc(CSCc2cn3ccccc3[nH+]2)c1 ZINC000084495610 453992545 /nfs/dbraw/zinc/99/25/45/453992545.db2.gz AZOOYBMBCCDIEW-UHFFFAOYSA-N 1 2 325.437 3.470 40 0 EGABLO O=C(NCCCOC1CCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044851329 454122397 /nfs/dbraw/zinc/12/23/97/454122397.db2.gz UZHOLSCTZSVWBO-UHFFFAOYSA-N 1 2 327.428 3.011 40 0 EGABLO COc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)ccc1C ZINC000044889260 454124522 /nfs/dbraw/zinc/12/45/22/454124522.db2.gz XTZZYSFDPGFGAT-SFHVURJKSA-N 1 2 335.407 3.257 40 0 EGABLO COC[C@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2ncn(CC3CC3)c21 ZINC000096045059 454268084 /nfs/dbraw/zinc/26/80/84/454268084.db2.gz RTOZELQKTALEOT-QGZVFWFLSA-N 1 2 341.455 3.048 40 0 EGABLO COC[C@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2ncn(CC3CC3)c21 ZINC000096045059 454268087 /nfs/dbraw/zinc/26/80/87/454268087.db2.gz RTOZELQKTALEOT-QGZVFWFLSA-N 1 2 341.455 3.048 40 0 EGABLO CC(C)c1ccc(NC(=O)[C@@H]2c3c(ncn3C)CC[N@H+]2C(C)C)cc1 ZINC000096264935 454314645 /nfs/dbraw/zinc/31/46/45/454314645.db2.gz AEPPJCMRVRKFNK-IBGZPJMESA-N 1 2 340.471 3.490 40 0 EGABLO CC(C)c1ccc(NC(=O)[C@@H]2c3c(ncn3C)CC[N@@H+]2C(C)C)cc1 ZINC000096264935 454314650 /nfs/dbraw/zinc/31/46/50/454314650.db2.gz AEPPJCMRVRKFNK-IBGZPJMESA-N 1 2 340.471 3.490 40 0 EGABLO CC(C)c1ccc(NC(=O)[C@@H]2c3c([nH+]cn3C)CCN2C(C)C)cc1 ZINC000096264935 454314656 /nfs/dbraw/zinc/31/46/56/454314656.db2.gz AEPPJCMRVRKFNK-IBGZPJMESA-N 1 2 340.471 3.490 40 0 EGABLO CCC[C@H](c1nnnn1C(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000096299527 454317001 /nfs/dbraw/zinc/31/70/01/454317001.db2.gz OKPOORCZLHUNBM-QGZVFWFLSA-N 1 2 346.454 3.057 40 0 EGABLO CCc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000096410214 454328197 /nfs/dbraw/zinc/32/81/97/454328197.db2.gz HATRPXXRGIPOMK-MRXNPFEDSA-N 1 2 336.395 3.400 40 0 EGABLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000096424477 454338412 /nfs/dbraw/zinc/33/84/12/454338412.db2.gz HLJHEGSPKAHPPU-QGZVFWFLSA-N 1 2 325.412 3.002 40 0 EGABLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000096424477 454338415 /nfs/dbraw/zinc/33/84/15/454338415.db2.gz HLJHEGSPKAHPPU-QGZVFWFLSA-N 1 2 325.412 3.002 40 0 EGABLO CSC(C)(C)CNC(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000096439510 454348568 /nfs/dbraw/zinc/34/85/68/454348568.db2.gz FGRNDFUBPSCDNB-UHFFFAOYSA-N 1 2 336.505 3.013 40 0 EGABLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3nnc(C(C)C)o3)ccc2NC1=O ZINC000096492082 454369879 /nfs/dbraw/zinc/36/98/79/454369879.db2.gz TVPQYJAHYCENHX-BXUZGUMPSA-N 1 2 344.415 3.153 40 0 EGABLO CC(C)n1cnnc1C1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000097238695 454428308 /nfs/dbraw/zinc/42/83/08/454428308.db2.gz OTSFFOIIJWDHGX-UHFFFAOYSA-N 1 2 344.463 3.279 40 0 EGABLO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccs2)[C@H]1c1ccc(F)c(F)c1 ZINC000110698341 454851348 /nfs/dbraw/zinc/85/13/48/454851348.db2.gz OXBKPUWZDKNYBK-NVXWUHKLSA-N 1 2 336.407 3.130 40 0 EGABLO C[N@H+]1CC[C@@H](NC(=O)Cc2cccs2)[C@H]1c1ccc(F)c(F)c1 ZINC000110698341 454851350 /nfs/dbraw/zinc/85/13/50/454851350.db2.gz OXBKPUWZDKNYBK-NVXWUHKLSA-N 1 2 336.407 3.130 40 0 EGABLO Cc1cccc(S(=O)(=O)Nc2cc[nH+]cc2C)c1Br ZINC000158450463 455304668 /nfs/dbraw/zinc/30/46/68/455304668.db2.gz ANZZOXROALJRLC-UHFFFAOYSA-N 1 2 341.230 3.262 40 0 EGABLO Cc1csc(C[NH+]2CC3(C2)C[C@H](OCc2ccncc2)CS3)n1 ZINC000247929889 455656726 /nfs/dbraw/zinc/65/67/26/455656726.db2.gz BXUMKGSEOZKZAL-HNNXBMFYSA-N 1 2 347.509 3.123 40 0 EGABLO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(Br)o1 ZINC000193015926 455734928 /nfs/dbraw/zinc/73/49/28/455734928.db2.gz ZZAPSQGSXFGFGE-SCZZXKLOSA-N 1 2 325.210 3.128 40 0 EGABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3c(F)cccc3Cl)C2)[nH+]1 ZINC000257284496 455883056 /nfs/dbraw/zinc/88/30/56/455883056.db2.gz PCXLXVIRSQWHNW-GFCCVEGCSA-N 1 2 335.810 3.459 40 0 EGABLO Cc1cn(C)c([C@H]2CCCN(C(=O)C3(c4ccccc4F)CC3)C2)[nH+]1 ZINC000257326873 455892218 /nfs/dbraw/zinc/89/22/18/455892218.db2.gz WYYRCDTYGWTXEE-HNNXBMFYSA-N 1 2 341.430 3.305 40 0 EGABLO CCOc1ccccc1C[NH2+][C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000195568594 455986391 /nfs/dbraw/zinc/98/63/91/455986391.db2.gz LCSNKTWMLNQNOE-MRXNPFEDSA-N 1 2 349.427 3.233 40 0 EGABLO C[C@@H]1C[C@@H](c2cccnc2)N(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000225485532 456087454 /nfs/dbraw/zinc/08/74/54/456087454.db2.gz ISEKRDJEQPBGAK-ZBFHGGJFSA-N 1 2 341.484 3.012 40 0 EGABLO C[C@@H]1C[C@@H](c2cccnc2)N(c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000225485532 456087459 /nfs/dbraw/zinc/08/74/59/456087459.db2.gz ISEKRDJEQPBGAK-ZBFHGGJFSA-N 1 2 341.484 3.012 40 0 EGABLO O=C(c1ccncc1F)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000131150773 534764324 /nfs/dbraw/zinc/76/43/24/534764324.db2.gz XHCJETKOZPFAFR-UHFFFAOYSA-N 1 2 347.821 3.222 40 0 EGABLO O=C(c1ccncc1F)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000131150773 534764326 /nfs/dbraw/zinc/76/43/26/534764326.db2.gz XHCJETKOZPFAFR-UHFFFAOYSA-N 1 2 347.821 3.222 40 0 EGABLO Cc1csc(C[C@H]2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)C2)n1 ZINC001334106358 1390479240 /nfs/dbraw/zinc/47/92/40/1390479240.db2.gz TZUDREBCPLNOAY-CYBMUJFWSA-N 1 2 341.440 3.196 40 0 EGABLO C[NH+]1CCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)CC1 ZINC000055005037 214263391 /nfs/dbraw/zinc/26/33/91/214263391.db2.gz QMMBKFHTGDQDPS-UHFFFAOYSA-N 1 2 340.210 3.036 40 0 EGABLO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccccc1C(C)=O ZINC000003654557 210071607 /nfs/dbraw/zinc/07/16/07/210071607.db2.gz SPSKYOXRETUSGB-HNNXBMFYSA-N 1 2 338.407 3.241 40 0 EGABLO CCc1nnc(C[NH+]2CCC(n3c4ccccc4nc3CC)CC2)o1 ZINC000180967729 234046872 /nfs/dbraw/zinc/04/68/72/234046872.db2.gz UTHNPWKOCHITDO-UHFFFAOYSA-N 1 2 339.443 3.381 40 0 EGABLO Cc1ccccc1N1C(=O)C[C@H]([N@H+](C)Cc2cccc(Cl)c2)C1=O ZINC000036391795 213094452 /nfs/dbraw/zinc/09/44/52/213094452.db2.gz MYNNPPOYCXLCBJ-KRWDZBQOSA-N 1 2 342.826 3.412 40 0 EGABLO Cc1ccccc1N1C(=O)C[C@H]([N@@H+](C)Cc2cccc(Cl)c2)C1=O ZINC000036391795 213094455 /nfs/dbraw/zinc/09/44/55/213094455.db2.gz MYNNPPOYCXLCBJ-KRWDZBQOSA-N 1 2 342.826 3.412 40 0 EGABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000072379211 216181458 /nfs/dbraw/zinc/18/14/58/216181458.db2.gz WIGQHKBBZCPWJW-OAHLLOKOSA-N 1 2 334.427 3.004 40 0 EGABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)C1(c2ccccc2F)CC1 ZINC000130834794 223179840 /nfs/dbraw/zinc/17/98/40/223179840.db2.gz YCIIXXRHQQWUKF-HNNXBMFYSA-N 1 2 339.414 3.038 40 0 EGABLO O=C(CCc1c[nH]c2ccccc12)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131220152 223214662 /nfs/dbraw/zinc/21/46/62/223214662.db2.gz UHCFCHFWZUIZEL-KRWDZBQOSA-N 1 2 348.450 3.281 40 0 EGABLO Cc1cncc(CO[C@H]2CCOC3(C[NH+](Cc4ccsc4)C3)C2)c1 ZINC000253604533 244037891 /nfs/dbraw/zinc/03/78/91/244037891.db2.gz YBMWENRJYCIJPP-SFHVURJKSA-N 1 2 344.480 3.402 40 0 EGABLO Cc1cc(C)nc([C@@H]2C[N@H+](CCCOc3ccccc3F)CCO2)n1 ZINC000257224665 244195890 /nfs/dbraw/zinc/19/58/90/244195890.db2.gz FCUGPQAUZZKMQK-SFHVURJKSA-N 1 2 345.418 3.075 40 0 EGABLO Cc1cc(C)nc([C@@H]2C[N@@H+](CCCOc3ccccc3F)CCO2)n1 ZINC000257224665 244195901 /nfs/dbraw/zinc/19/59/01/244195901.db2.gz FCUGPQAUZZKMQK-SFHVURJKSA-N 1 2 345.418 3.075 40 0 EGABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)C2CCCC2)c1 ZINC000257238173 244234846 /nfs/dbraw/zinc/23/48/46/244234846.db2.gz HJWMOAFYQNSUJH-KRWDZBQOSA-N 1 2 325.412 3.165 40 0 EGABLO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2ccn(C)n2)cc(OC)c1O ZINC000019291050 212012167 /nfs/dbraw/zinc/01/21/67/212012167.db2.gz NSOKKDOPAJCMLQ-MRXNPFEDSA-N 1 2 345.443 3.260 40 0 EGABLO COc1cc(C[N@H+]2CCCCC[C@@H]2c2ccn(C)n2)cc(OC)c1O ZINC000019291050 212012170 /nfs/dbraw/zinc/01/21/70/212012170.db2.gz NSOKKDOPAJCMLQ-MRXNPFEDSA-N 1 2 345.443 3.260 40 0 EGABLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000017302516 211963739 /nfs/dbraw/zinc/96/37/39/211963739.db2.gz NJUCVXMOKGGQAD-UHFFFAOYSA-N 1 2 336.395 3.196 40 0 EGABLO COc1ccc(C[NH+]2CCN(c3nccc4occc43)CC2)cc1F ZINC000266181889 248153834 /nfs/dbraw/zinc/15/38/34/248153834.db2.gz VMFHQLDIFHBIQV-UHFFFAOYSA-N 1 2 341.386 3.298 40 0 EGABLO Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000096421929 218788110 /nfs/dbraw/zinc/78/81/10/218788110.db2.gz VFPZFEGQNJRYCO-XHSDSOJGSA-N 1 2 340.427 3.022 40 0 EGABLO CC(C)Cn1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cn1 ZINC000097378794 219020543 /nfs/dbraw/zinc/02/05/43/219020543.db2.gz BPNWQADKUIQMSN-HNNXBMFYSA-N 1 2 346.500 3.120 40 0 EGABLO CN1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000015675660 277213220 /nfs/dbraw/zinc/21/32/20/277213220.db2.gz PRKLMKHBNYWTJI-KRWDZBQOSA-N 1 2 331.379 3.342 40 0 biogenic,in-vitro EGABLO Cc1[nH+]c([C@@H]2CCCCN2C(=O)C2CCOCC2)c2sccn12 ZINC000257308660 293361306 /nfs/dbraw/zinc/36/13/06/293361306.db2.gz TXPJASMMYOXQJN-AWEZNQCLSA-N 1 2 333.457 3.184 40 0 EGABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1Cc1cncs1 ZINC000257308593 295395446 /nfs/dbraw/zinc/39/54/46/295395446.db2.gz TXHUDMRSGWVPID-HNNXBMFYSA-N 1 2 326.425 3.105 40 0 EGABLO Cc1nc2sc([C@@H](c3ccco3)[NH+]3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 ZINC000033682170 302685675 /nfs/dbraw/zinc/68/56/75/302685675.db2.gz KNNOMGOJHQKQJB-COPLHBTASA-N 1 2 346.456 3.465 40 0 EGABLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000180847547 455255837 /nfs/dbraw/zinc/25/58/37/455255837.db2.gz ZVKMZVYRPYPLMF-FZKQIMNGSA-N 1 2 348.878 3.096 40 0 EGABLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ncnn2C(C)(C)C)c1 ZINC000241161338 455266374 /nfs/dbraw/zinc/26/63/74/455266374.db2.gz JZXKUULJZJWJAP-INIZCTEOSA-N 1 2 344.459 3.387 40 0 EGABLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ncnn2C(C)(C)C)c1 ZINC000241161338 455266380 /nfs/dbraw/zinc/26/63/80/455266380.db2.gz JZXKUULJZJWJAP-INIZCTEOSA-N 1 2 344.459 3.387 40 0 EGABLO Cc1ccc(C[N@@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cc1 ZINC000012666975 453391390 /nfs/dbraw/zinc/39/13/90/453391390.db2.gz ZANYUCKMCMOVKR-UHFFFAOYSA-N 1 2 334.423 3.179 40 0 EGABLO Cc1ccc(C[N@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cc1 ZINC000012666975 453391395 /nfs/dbraw/zinc/39/13/95/453391395.db2.gz ZANYUCKMCMOVKR-UHFFFAOYSA-N 1 2 334.423 3.179 40 0 EGABLO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)NCc1ccco1 ZINC000015452154 453574324 /nfs/dbraw/zinc/57/43/24/453574324.db2.gz MHNVUSQRTBWBJJ-OAHLLOKOSA-N 1 2 341.436 3.343 40 0 EGABLO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)NCc1ccco1 ZINC000015452154 453574330 /nfs/dbraw/zinc/57/43/30/453574330.db2.gz MHNVUSQRTBWBJJ-OAHLLOKOSA-N 1 2 341.436 3.343 40 0 EGABLO S=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccccc1 ZINC000018165353 453646202 /nfs/dbraw/zinc/64/62/02/453646202.db2.gz JZWMNKMZRVUBBL-UHFFFAOYSA-N 1 2 341.480 3.005 40 0 EGABLO C[C@@H](c1c(F)cccc1F)S(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000083992619 453964262 /nfs/dbraw/zinc/96/42/62/453964262.db2.gz MSVWNXZOPGDVHT-NSHDSACASA-N 1 2 336.363 3.289 40 0 EGABLO CC[C@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2ccccc2)CC1 ZINC000057669837 454139835 /nfs/dbraw/zinc/13/98/35/454139835.db2.gz WMNGCLFCNFBSCP-QGZVFWFLSA-N 1 2 342.491 3.092 40 0 EGABLO COc1ccc(NCc2n[nH]c([C@H]([NH3+])c3ccc(Cl)cc3)n2)cc1 ZINC000095533970 454230488 /nfs/dbraw/zinc/23/04/88/454230488.db2.gz QNIRLSJGCRJBCF-MRXNPFEDSA-N 1 2 343.818 3.127 40 0 EGABLO COc1ccc(NCc2nnc([C@H]([NH3+])c3ccc(Cl)cc3)[nH]2)cc1 ZINC000095533970 454230492 /nfs/dbraw/zinc/23/04/92/454230492.db2.gz QNIRLSJGCRJBCF-MRXNPFEDSA-N 1 2 343.818 3.127 40 0 EGABLO COc1ccc(NCc2nc([C@H]([NH3+])c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000095533970 454230497 /nfs/dbraw/zinc/23/04/97/454230497.db2.gz QNIRLSJGCRJBCF-MRXNPFEDSA-N 1 2 343.818 3.127 40 0 EGABLO CC(C)(C)OC(=O)C[NH+]1CCC(c2nnc(-c3ccsc3)o2)CC1 ZINC000096024405 454263761 /nfs/dbraw/zinc/26/37/61/454263761.db2.gz XXFUVAXMJFRBCI-UHFFFAOYSA-N 1 2 349.456 3.319 40 0 EGABLO CC(C)c1cc(N2Cc3ccccc3C[C@H]2C(N)=O)nc(C(C)C)[nH+]1 ZINC000090067910 454271634 /nfs/dbraw/zinc/27/16/34/454271634.db2.gz DELIWMVWPPLYSD-KRWDZBQOSA-N 1 2 338.455 3.140 40 0 EGABLO COC[C@@H]1C[N@H+](Cc2ccoc2)Cc2cn(CC3CCCC3)nc21 ZINC000096059984 454276793 /nfs/dbraw/zinc/27/67/93/454276793.db2.gz JZPUJCDMEHXWID-SFHVURJKSA-N 1 2 329.444 3.412 40 0 EGABLO COC[C@@H]1C[N@@H+](Cc2ccoc2)Cc2cn(CC3CCCC3)nc21 ZINC000096059984 454276798 /nfs/dbraw/zinc/27/67/98/454276798.db2.gz JZPUJCDMEHXWID-SFHVURJKSA-N 1 2 329.444 3.412 40 0 EGABLO Cc1cccc(NC2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)c1 ZINC000096421217 454336521 /nfs/dbraw/zinc/33/65/21/454336521.db2.gz FYBSHKUNCXYIHV-UHFFFAOYSA-N 1 2 348.454 3.047 40 0 EGABLO C[C@@H](NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1nccs1 ZINC000096439954 454349555 /nfs/dbraw/zinc/34/95/55/454349555.db2.gz SXZHTJRVEVPRGS-CHWSQXEVSA-N 1 2 341.440 3.450 40 0 EGABLO Cc1[nH+]c2ccccc2n1CCCOC(=O)c1nc(C)ncc1Cl ZINC000096441872 454350634 /nfs/dbraw/zinc/35/06/34/454350634.db2.gz DMFUSFLFVDKVBX-UHFFFAOYSA-N 1 2 344.802 3.344 40 0 EGABLO COc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cc1SC ZINC000097376968 454434197 /nfs/dbraw/zinc/43/41/97/454434197.db2.gz ZYBWHCVHOJAKDL-UHFFFAOYSA-N 1 2 343.496 3.130 40 0 EGABLO COc1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)cc1SC ZINC000097376968 454434202 /nfs/dbraw/zinc/43/42/02/454434202.db2.gz ZYBWHCVHOJAKDL-UHFFFAOYSA-N 1 2 343.496 3.130 40 0 EGABLO C[N@H+](C[C@H](O)C(F)(F)F)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000097378169 454434859 /nfs/dbraw/zinc/43/48/59/454434859.db2.gz BZINHXVZBRTDCR-GJZGRUSLSA-N 1 2 328.309 3.165 40 0 EGABLO C[N@@H+](C[C@H](O)C(F)(F)F)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000097378169 454434862 /nfs/dbraw/zinc/43/48/62/454434862.db2.gz BZINHXVZBRTDCR-GJZGRUSLSA-N 1 2 328.309 3.165 40 0 EGABLO O=C(NCCNc1ccc2ccccc2[nH+]1)c1cccnc1Cl ZINC000073941107 454504362 /nfs/dbraw/zinc/50/43/62/454504362.db2.gz BPVFAGFWPBBPSF-UHFFFAOYSA-N 1 2 326.787 3.125 40 0 EGABLO Cc1ccc(NC(=O)C(=O)N[C@H](C)C(C)(C)c2ccccc2)c(C)[nH+]1 ZINC000126793768 454918880 /nfs/dbraw/zinc/91/88/80/454918880.db2.gz LSLDQBQHKUCPIJ-OAHLLOKOSA-N 1 2 339.439 3.119 40 0 EGABLO CC(C)c1ocnc1C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000119026060 455120781 /nfs/dbraw/zinc/12/07/81/455120781.db2.gz IRIQGHQUEGJQFA-GFCCVEGCSA-N 1 2 337.445 3.020 40 0 EGABLO Cc1cccc(CC(=O)NC[C@H](c2ccco2)[NH+]2CCSCC2)c1 ZINC000245039108 455278928 /nfs/dbraw/zinc/27/89/28/455278928.db2.gz OFNBMMZVGGPFQE-QGZVFWFLSA-N 1 2 344.480 3.037 40 0 EGABLO O=C(Nc1ccc2ncsc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000193190061 455745140 /nfs/dbraw/zinc/74/51/40/455745140.db2.gz IRNWTYMYYUXZKY-UHFFFAOYSA-N 1 2 339.424 3.045 40 0 EGABLO CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2ccncc2)[nH+]1 ZINC000257285222 455883207 /nfs/dbraw/zinc/88/32/07/455883207.db2.gz PGEIWEPKQZZFPX-GOSISDBHSA-N 1 2 338.455 3.170 40 0 EGABLO Cc1c[nH]c(-c2cnc(C[C@H]3CCCN(c4cccc[nH+]4)C3)cn2)n1 ZINC000257305851 455887717 /nfs/dbraw/zinc/88/77/17/455887717.db2.gz SRVAYOKUWKRNLY-OAHLLOKOSA-N 1 2 334.427 3.029 40 0 EGABLO CC(C)c1cc(C(=O)N2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)on1 ZINC000257309814 455888140 /nfs/dbraw/zinc/88/81/40/455888140.db2.gz UCMRTFVJGQLHAF-HNNXBMFYSA-N 1 2 342.443 3.279 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)cc[nH+]1 ZINC000257324652 455892397 /nfs/dbraw/zinc/89/23/97/455892397.db2.gz WPPNGZCASLHXOQ-CQSZACIVSA-N 1 2 326.400 3.009 40 0 EGABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)[nH+]1 ZINC000257334312 455894786 /nfs/dbraw/zinc/89/47/86/455894786.db2.gz YFJYUTVSUKHNKB-GFCCVEGCSA-N 1 2 326.375 3.358 40 0 EGABLO Cc1cccc(OCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000225124217 456073128 /nfs/dbraw/zinc/07/31/28/456073128.db2.gz STBVUIYJBMIVAU-UHFFFAOYSA-N 1 2 335.407 3.049 40 0 EGABLO Cc1ccccc1OCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225131680 456073486 /nfs/dbraw/zinc/07/34/86/456073486.db2.gz DUUZVTQJTKBKDH-UHFFFAOYSA-N 1 2 335.407 3.049 40 0 EGABLO Cc1ccc(OCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000225170105 456074605 /nfs/dbraw/zinc/07/46/05/456074605.db2.gz FTQYRNBOPHRADG-UHFFFAOYSA-N 1 2 349.434 3.357 40 0 EGABLO O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000281642490 456280651 /nfs/dbraw/zinc/28/06/51/456280651.db2.gz WCSSYFYDAVJTQQ-BFYDXBDKSA-N 1 2 342.418 3.384 40 0 EGABLO O=C(c1ccco1)N1C[C@@H]2c3[nH+]cc(-c4ccsc4)n3C[C@@H]2C1 ZINC000306132753 456567827 /nfs/dbraw/zinc/56/78/27/456567827.db2.gz LRFLFCVOTBMAOL-STQMWFEESA-N 1 2 325.393 3.074 40 0 EGABLO COc1ccccc1C[NH2+]C1(Cc2cc(C(C)(C)C)on2)COC1 ZINC000067897846 215244885 /nfs/dbraw/zinc/24/48/85/215244885.db2.gz VGEKOXIXPJSVSX-UHFFFAOYSA-N 1 2 330.428 3.082 40 0 biogenic,in-vitro EGABLO CC(C)(C)CC(C)(C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068390895 215304667 /nfs/dbraw/zinc/30/46/67/215304667.db2.gz MAYZMHGOSWELGQ-UHFFFAOYSA-N 1 2 332.488 3.463 40 0 EGABLO Cc1cccc(C2=NO[C@H]3C[N@@H+](Cc4cnc(C(C)C)nc4)C[C@H]23)c1 ZINC000072343238 216159440 /nfs/dbraw/zinc/15/94/40/216159440.db2.gz XCZFSXAXDVLJBU-ROUUACIJSA-N 1 2 336.439 3.143 40 0 EGABLO Cc1cccc(C2=NO[C@H]3C[N@H+](Cc4cnc(C(C)C)nc4)C[C@H]23)c1 ZINC000072343238 216159443 /nfs/dbraw/zinc/15/94/43/216159443.db2.gz XCZFSXAXDVLJBU-ROUUACIJSA-N 1 2 336.439 3.143 40 0 EGABLO CNc1cc([C@@H]2CCCN2C(=O)Cn2c(C)nc3ccccc32)cc[nH+]1 ZINC000257214456 244164748 /nfs/dbraw/zinc/16/47/48/244164748.db2.gz CMCJGRPIGGXWQG-KRWDZBQOSA-N 1 2 349.438 3.145 40 0 EGABLO CCCCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(NC)n3)C2)c(C)n1 ZINC000257233035 244221010 /nfs/dbraw/zinc/22/10/10/244221010.db2.gz GNLOCHBSLDHVCU-GOSISDBHSA-N 1 2 343.475 3.002 40 0 EGABLO CCCCn1cc(C[N@H+]2CCO[C@@H](c3cccc(NC)n3)C2)c(C)n1 ZINC000257233035 244221017 /nfs/dbraw/zinc/22/10/17/244221017.db2.gz GNLOCHBSLDHVCU-GOSISDBHSA-N 1 2 343.475 3.002 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)c3cn4cc(C)ccc4n3)C2)cc[nH+]1 ZINC000257240791 244240452 /nfs/dbraw/zinc/24/04/52/244240452.db2.gz HVFUPXWMJRDOOL-MRXNPFEDSA-N 1 2 349.438 3.099 40 0 EGABLO Cc1cc(CC2CCN(C(=O)Cn3cnc4ccccc43)CC2)cc[nH+]1 ZINC000257272679 244382929 /nfs/dbraw/zinc/38/29/29/244382929.db2.gz NDKFUBHUBBISPJ-UHFFFAOYSA-N 1 2 348.450 3.221 40 0 EGABLO C[C@@H](CC(=O)N1CCC[C@H](c2cc3cccnc3[nH]2)C1)n1cc[nH+]c1 ZINC000019455207 212030280 /nfs/dbraw/zinc/03/02/80/212030280.db2.gz XMYHCMINJYPGJC-HOCLYGCPSA-N 1 2 337.427 3.117 40 0 EGABLO Fc1ccc(C[N@@H+]2CCO[C@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000019374359 212024177 /nfs/dbraw/zinc/02/41/77/212024177.db2.gz UKHVBSQNOOGQIQ-KRWDZBQOSA-N 1 2 339.370 3.449 40 0 EGABLO Fc1ccc(C[N@H+]2CCO[C@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000019374359 212024181 /nfs/dbraw/zinc/02/41/81/212024181.db2.gz UKHVBSQNOOGQIQ-KRWDZBQOSA-N 1 2 339.370 3.449 40 0 EGABLO O=C(COCC(F)(F)F)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000078992586 217167864 /nfs/dbraw/zinc/16/78/64/217167864.db2.gz RWHLJAPHJZGJID-UHFFFAOYSA-N 1 2 326.274 3.391 40 0 EGABLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccnn3C(C)C)cn2c1 ZINC000079351894 217212116 /nfs/dbraw/zinc/21/21/16/217212116.db2.gz PPMHPUZTZBUGKE-UHFFFAOYSA-N 1 2 343.456 3.292 40 0 EGABLO C[N@H+](Cc1ccc(Cl)nc1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000080914818 217339493 /nfs/dbraw/zinc/33/94/93/217339493.db2.gz JPGIGIINQRFPIM-KRWDZBQOSA-N 1 2 329.831 3.187 40 0 EGABLO C[N@@H+](Cc1ccc(Cl)nc1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000080914818 217339494 /nfs/dbraw/zinc/33/94/94/217339494.db2.gz JPGIGIINQRFPIM-KRWDZBQOSA-N 1 2 329.831 3.187 40 0 EGABLO COc1ccc([C@H](NC(=O)[C@H](C)c2ccccc2)c2[nH+]ccn2C)cc1 ZINC000012114928 211294069 /nfs/dbraw/zinc/29/40/69/211294069.db2.gz OPTVDUIAYSAEQX-BEFAXECRSA-N 1 2 349.434 3.438 40 0 EGABLO Fc1ccc2cc[nH+]c(N3CCN(c4cc(C5CC5)[nH]n4)CC3)c2c1 ZINC000489870743 311123154 /nfs/dbraw/zinc/12/31/54/311123154.db2.gz CMFYDPFTJWMXQL-UHFFFAOYSA-N 1 2 337.402 3.301 40 0 EGABLO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)c(OC)c1 ZINC000002646171 452713400 /nfs/dbraw/zinc/71/34/00/452713400.db2.gz AJJSWLFENKXVOB-UHFFFAOYSA-N 1 2 342.439 3.391 40 0 EGABLO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)c(OC)c1 ZINC000002646171 452713407 /nfs/dbraw/zinc/71/34/07/452713407.db2.gz AJJSWLFENKXVOB-UHFFFAOYSA-N 1 2 342.439 3.391 40 0 EGABLO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccccc1OC ZINC000005585215 452885898 /nfs/dbraw/zinc/88/58/98/452885898.db2.gz DZPMIZFNUCDFBO-HNNXBMFYSA-N 1 2 340.423 3.437 40 0 EGABLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000029693832 453830713 /nfs/dbraw/zinc/83/07/13/453830713.db2.gz IRKRTQMENQNCFV-UTUOFQBUSA-N 1 2 346.349 3.021 40 0 EGABLO O=C(Nc1cccc(-n2cccn2)c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000088361705 454100950 /nfs/dbraw/zinc/10/09/50/454100950.db2.gz GHUKSDLHHADXFZ-INIZCTEOSA-N 1 2 336.399 3.355 40 0 EGABLO c1ccc(C[N@@H+]2CCc3nc(N4CCCC4)nc(NC4CC4)c3C2)cc1 ZINC000096254112 454313084 /nfs/dbraw/zinc/31/30/84/454313084.db2.gz STTMSBWDKSSXFL-UHFFFAOYSA-N 1 2 349.482 3.209 40 0 EGABLO c1ccc(C[N@H+]2CCc3nc(N4CCCC4)nc(NC4CC4)c3C2)cc1 ZINC000096254112 454313088 /nfs/dbraw/zinc/31/30/88/454313088.db2.gz STTMSBWDKSSXFL-UHFFFAOYSA-N 1 2 349.482 3.209 40 0 EGABLO C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cn1nc(-c3ccco3)ccc1=O)C2 ZINC000096343620 454319738 /nfs/dbraw/zinc/31/97/38/454319738.db2.gz SKGVJFDLGNUGNX-LIRRHRJNSA-N 1 2 327.428 3.361 40 0 EGABLO C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cn1nc(-c3ccco3)ccc1=O)C2 ZINC000096343620 454319742 /nfs/dbraw/zinc/31/97/42/454319742.db2.gz SKGVJFDLGNUGNX-LIRRHRJNSA-N 1 2 327.428 3.361 40 0 EGABLO C[C@@]1(c2ccccc2)CCCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000096406040 454324440 /nfs/dbraw/zinc/32/44/40/454324440.db2.gz IAOAPMWBOJQZDQ-HXUWFJFHSA-N 1 2 340.471 3.427 40 0 EGABLO CO[C@H](C(=O)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21)c1ccccc1 ZINC000096426006 454339157 /nfs/dbraw/zinc/33/91/57/454339157.db2.gz HLVNFLALAMMCRC-QUCCMNQESA-N 1 2 347.418 3.401 40 0 EGABLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc(C)n1 ZINC000096432936 454343523 /nfs/dbraw/zinc/34/35/23/454343523.db2.gz XJFJEKGFUDNDTK-UHFFFAOYSA-N 1 2 338.455 3.164 40 0 EGABLO CC(C)Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)o1 ZINC000096436941 454348033 /nfs/dbraw/zinc/34/80/33/454348033.db2.gz NDUMRSMUALKKKU-NEPJUHHUSA-N 1 2 344.415 3.011 40 0 EGABLO O=C(NCCc1[nH+]ccn1C(F)F)N1CC[C@H](Cc2ccccc2)C1 ZINC000096439730 454349926 /nfs/dbraw/zinc/34/99/26/454349926.db2.gz SGMXOARRIKRPDI-OAHLLOKOSA-N 1 2 348.397 3.095 40 0 EGABLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)N[C@H]1CCCSC1 ZINC000096452349 454356232 /nfs/dbraw/zinc/35/62/32/454356232.db2.gz YVZCQVXNCSGCAR-INIZCTEOSA-N 1 2 348.516 3.157 40 0 EGABLO O=C(c1ccccc1C(F)(F)F)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120900055 454362990 /nfs/dbraw/zinc/36/29/90/454362990.db2.gz AKJRPTCPFXCZQM-ZDUSSCGKSA-N 1 2 336.313 3.394 40 0 EGABLO CCCn1cc[nH+]c1-c1cccc(NC(=O)c2c[nH]c(C)cc2=O)c1 ZINC000096475421 454363119 /nfs/dbraw/zinc/36/31/19/454363119.db2.gz KOFKECDSKGROJZ-UHFFFAOYSA-N 1 2 336.395 3.209 40 0 EGABLO C[N@@H+]1CC[C@H](NC(=O)c2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096484478 454366214 /nfs/dbraw/zinc/36/62/14/454366214.db2.gz ULOIVMRSIJDOKF-HOTGVXAUSA-N 1 2 333.794 3.049 40 0 EGABLO C[N@H+]1CC[C@H](NC(=O)c2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096484478 454366217 /nfs/dbraw/zinc/36/62/17/454366217.db2.gz ULOIVMRSIJDOKF-HOTGVXAUSA-N 1 2 333.794 3.049 40 0 EGABLO O=C(c1cccc(-n2cc[nH+]c2)n1)N(CCC(F)(F)F)C1CCC1 ZINC000097238723 454429080 /nfs/dbraw/zinc/42/90/80/454429080.db2.gz UWDQYOHWCSWNSP-UHFFFAOYSA-N 1 2 338.333 3.214 40 0 EGABLO C[C@H](c1cnccn1)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000184470396 455386303 /nfs/dbraw/zinc/38/63/03/455386303.db2.gz LZDPHXOIPRNFSM-CQSZACIVSA-N 1 2 344.846 3.039 40 0 EGABLO C[C@H](c1cnccn1)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000184470396 455386306 /nfs/dbraw/zinc/38/63/06/455386306.db2.gz LZDPHXOIPRNFSM-CQSZACIVSA-N 1 2 344.846 3.039 40 0 EGABLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC(c2nccs2)CC1 ZINC000253432346 455848912 /nfs/dbraw/zinc/84/89/12/455848912.db2.gz ZNEMETCURMTAEZ-UHFFFAOYSA-N 1 2 347.488 3.085 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)Cc3cccc(OC)c3)C2)cc[nH+]1 ZINC000257285999 455883119 /nfs/dbraw/zinc/88/31/19/455883119.db2.gz PJSWLYUMCNZFHG-QGZVFWFLSA-N 1 2 339.439 3.081 40 0 EGABLO COc1ccc([C@@H]2CN(C(C)=O)CC[N@@H+]2Cc2cccs2)cc1 ZINC000257293074 455883694 /nfs/dbraw/zinc/88/36/94/455883694.db2.gz QNZWJJLISVRCKS-SFHVURJKSA-N 1 2 330.453 3.162 40 0 EGABLO COc1ccc([C@@H]2CN(C(C)=O)CC[N@H+]2Cc2cccs2)cc1 ZINC000257293074 455883696 /nfs/dbraw/zinc/88/36/96/455883696.db2.gz QNZWJJLISVRCKS-SFHVURJKSA-N 1 2 330.453 3.162 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)c3ccc4[nH]c(C)nc4c3)C2)cc[nH+]1 ZINC000257291593 455883989 /nfs/dbraw/zinc/88/39/89/455883989.db2.gz QHSRRXTZCWPZQY-MRXNPFEDSA-N 1 2 349.438 3.328 40 0 EGABLO CNc1cc([C@@H]2CCCN2C(=O)CCCn2nc(C)cc2C)cc[nH+]1 ZINC000257292050 455884058 /nfs/dbraw/zinc/88/40/58/455884058.db2.gz QJTBYIBQIKBITP-KRWDZBQOSA-N 1 2 341.459 3.081 40 0 EGABLO COc1ccccc1[C@@H]1Cn2c(C)c[nH+]c2CN1Cc1cc(C)on1 ZINC000257294350 455885214 /nfs/dbraw/zinc/88/52/14/455885214.db2.gz QTSKULYKWQDDMO-KRWDZBQOSA-N 1 2 338.411 3.254 40 0 EGABLO CCCc1cc(C(=O)N2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)no1 ZINC000257312804 455889192 /nfs/dbraw/zinc/88/91/92/455889192.db2.gz UPOZAXHBLYHTMZ-HNNXBMFYSA-N 1 2 342.443 3.108 40 0 EGABLO COc1ccccc1[C@H]1C[N@H+](Cc2ccsc2)CCN1C(C)=O ZINC000257329310 455893589 /nfs/dbraw/zinc/89/35/89/455893589.db2.gz XJHRPDBCCULJND-QGZVFWFLSA-N 1 2 330.453 3.162 40 0 EGABLO COc1ccccc1[C@H]1C[N@@H+](Cc2ccsc2)CCN1C(C)=O ZINC000257329310 455893592 /nfs/dbraw/zinc/89/35/92/455893592.db2.gz XJHRPDBCCULJND-QGZVFWFLSA-N 1 2 330.453 3.162 40 0 EGABLO CC(C)c1cnc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)o1 ZINC000195572100 455987850 /nfs/dbraw/zinc/98/78/50/455987850.db2.gz IRZIEUSMBTYTSJ-LBPRGKRZSA-N 1 2 337.445 3.020 40 0 EGABLO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000225479564 456085561 /nfs/dbraw/zinc/08/55/61/456085561.db2.gz BWGMVYIWUCCFOG-LPHOPBHVSA-N 1 2 345.402 3.209 40 0 biogenic,in-vitro EGABLO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000225479564 456085566 /nfs/dbraw/zinc/08/55/66/456085566.db2.gz BWGMVYIWUCCFOG-LPHOPBHVSA-N 1 2 345.402 3.209 40 0 biogenic,in-vitro EGABLO Cc1ccc2cc(C[N@@H+](C)[C@@H](C(N)=O)c3cccc(F)c3)ccc2n1 ZINC000225477083 456085891 /nfs/dbraw/zinc/08/58/91/456085891.db2.gz QYPMJWVSTQYPFD-LJQANCHMSA-N 1 2 337.398 3.341 40 0 EGABLO Cc1ccc2cc(C[N@H+](C)[C@@H](C(N)=O)c3cccc(F)c3)ccc2n1 ZINC000225477083 456085896 /nfs/dbraw/zinc/08/58/96/456085896.db2.gz QYPMJWVSTQYPFD-LJQANCHMSA-N 1 2 337.398 3.341 40 0 EGABLO O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000225509420 456088627 /nfs/dbraw/zinc/08/86/27/456088627.db2.gz KLSOOMIVDPJXMN-KRWDZBQOSA-N 1 2 331.419 3.420 40 0 EGABLO O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000225509420 456088634 /nfs/dbraw/zinc/08/86/34/456088634.db2.gz KLSOOMIVDPJXMN-KRWDZBQOSA-N 1 2 331.419 3.420 40 0 EGABLO CC1CCN(c2ccc(CNC(=O)c3cc(Cl)c[nH]3)c[nH+]2)CC1 ZINC000298601823 456499378 /nfs/dbraw/zinc/49/93/78/456499378.db2.gz BKUGAEHDZIQLHB-UHFFFAOYSA-N 1 2 332.835 3.229 40 0 EGABLO CC(C)C[N@@H+]1CC[C@@H](CC(=O)[O-])[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000514290448 458798418 /nfs/dbraw/zinc/79/84/18/458798418.db2.gz ZXTRBLQMNWAXNF-GJZGRUSLSA-N 1 2 329.444 3.174 40 0 biogenic,in-vitro EGABLO CC(C)C[N@H+]1CC[C@@H](CC(=O)[O-])[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000514290448 458798423 /nfs/dbraw/zinc/79/84/23/458798423.db2.gz ZXTRBLQMNWAXNF-GJZGRUSLSA-N 1 2 329.444 3.174 40 0 biogenic,in-vitro EGABLO CSc1ccccc1C(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575607466 459980748 /nfs/dbraw/zinc/98/07/48/459980748.db2.gz UHYCYVXEKVXOQI-HNNXBMFYSA-N 1 2 328.437 3.487 40 0 EGABLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cc(O)cc(Cl)c2)CCN1 ZINC000891727310 1305147815 /nfs/dbraw/zinc/14/78/15/1305147815.db2.gz HIKHNCGOAGZOJT-QGZVFWFLSA-N 1 2 330.815 3.109 40 0 EGABLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2cc(O)cc(Cl)c2)CCN1 ZINC000891727310 1305147819 /nfs/dbraw/zinc/14/78/19/1305147819.db2.gz HIKHNCGOAGZOJT-QGZVFWFLSA-N 1 2 330.815 3.109 40 0 EGABLO C[C@@H](CNC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000068384257 215303591 /nfs/dbraw/zinc/30/35/91/215303591.db2.gz UAOVSRMEZNCYTF-KRWDZBQOSA-N 1 2 338.451 3.052 40 0 EGABLO c1csc(Nc2cccc([C@H]3CCCN3Cc3[nH]cc[nH+]3)n2)n1 ZINC000072375528 216179821 /nfs/dbraw/zinc/17/98/21/216179821.db2.gz QDRAIXVYZPFMMJ-CYBMUJFWSA-N 1 2 326.429 3.342 40 0 EGABLO c1c[nH]c(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3nccs3)n2)n1 ZINC000072375528 216179824 /nfs/dbraw/zinc/17/98/24/216179824.db2.gz QDRAIXVYZPFMMJ-CYBMUJFWSA-N 1 2 326.429 3.342 40 0 EGABLO c1c[nH]c(C[N@H+]2CCC[C@@H]2c2cccc(Nc3nccs3)n2)n1 ZINC000072375528 216179827 /nfs/dbraw/zinc/17/98/27/216179827.db2.gz QDRAIXVYZPFMMJ-CYBMUJFWSA-N 1 2 326.429 3.342 40 0 EGABLO CCC[N@H+](Cc1cnn(C)c1)Cc1nnc(-c2ccc(F)cc2)o1 ZINC000072611259 216281622 /nfs/dbraw/zinc/28/16/22/216281622.db2.gz RDZKRPSYZQAZPH-UHFFFAOYSA-N 1 2 329.379 3.021 40 0 EGABLO CCC[N@@H+](Cc1cnn(C)c1)Cc1nnc(-c2ccc(F)cc2)o1 ZINC000072611259 216281627 /nfs/dbraw/zinc/28/16/27/216281627.db2.gz RDZKRPSYZQAZPH-UHFFFAOYSA-N 1 2 329.379 3.021 40 0 EGABLO CC[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1nc(C(F)(F)F)cs1 ZINC000073277687 216372897 /nfs/dbraw/zinc/37/28/97/216372897.db2.gz RJJMZPZQEBMCMQ-DTWKUNHWSA-N 1 2 332.351 3.187 40 0 EGABLO Cc1nc(CN2CC[NH+](Cc3ccc(Cl)s3)CC2)cs1 ZINC000022776709 212323237 /nfs/dbraw/zinc/32/32/37/212323237.db2.gz BFVMJHOXZFXFAY-UHFFFAOYSA-N 1 2 327.906 3.484 40 0 EGABLO COc1cccc(F)c1[C@H](C)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000242339190 243019581 /nfs/dbraw/zinc/01/95/81/243019581.db2.gz ZFRFLPMTOIWJDS-LBPRGKRZSA-N 1 2 346.406 3.208 40 0 EGABLO COc1cccc(F)c1[C@H](C)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000242339190 243019584 /nfs/dbraw/zinc/01/95/84/243019584.db2.gz ZFRFLPMTOIWJDS-LBPRGKRZSA-N 1 2 346.406 3.208 40 0 EGABLO Cc1[nH+]cc(-c2ccc(C[C@H]3CCCN(c4ncccn4)C3)cn2)n1C ZINC000257231022 244214860 /nfs/dbraw/zinc/21/48/60/244214860.db2.gz GEWRBEBAFRDBBB-QGZVFWFLSA-N 1 2 348.454 3.040 40 0 EGABLO COc1ccc(CC(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)cc1 ZINC000257259456 244292828 /nfs/dbraw/zinc/29/28/28/244292828.db2.gz KYMHKTWTMVCUHF-SFHVURJKSA-N 1 2 339.439 3.062 40 0 EGABLO Cc1cn(C)c([C@H]2CCN(C(=O)Cc3coc4cc(C)ccc34)C2)[nH+]1 ZINC000257261150 244346434 /nfs/dbraw/zinc/34/64/34/244346434.db2.gz LFYVUUBUNQVZGG-HNNXBMFYSA-N 1 2 337.423 3.342 40 0 EGABLO CCc1cccc2c(CC(=O)N[C@H]3CCC[C@H]3n3cc[nH+]c3)c[nH]c21 ZINC000078769294 217115979 /nfs/dbraw/zinc/11/59/79/217115979.db2.gz JJCQBUXNZLQFNC-ZWKOTPCHSA-N 1 2 336.439 3.379 40 0 EGABLO Cc1nc2cc([C@@H]3CC[N@H+](Cc4cccc(F)c4)C3)[nH]n2c(=O)c1C ZINC000012255190 211329875 /nfs/dbraw/zinc/32/98/75/211329875.db2.gz DWCYEMRZHXXBFI-OAHLLOKOSA-N 1 2 340.402 3.180 40 0 EGABLO Cc1nc2cc([C@@H]3CC[N@@H+](Cc4cccc(F)c4)C3)[nH]n2c(=O)c1C ZINC000012255190 211329883 /nfs/dbraw/zinc/32/98/83/211329883.db2.gz DWCYEMRZHXXBFI-OAHLLOKOSA-N 1 2 340.402 3.180 40 0 EGABLO O=C(C[NH+]1Cc2ccccc2C1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012221887 211324208 /nfs/dbraw/zinc/32/42/08/211324208.db2.gz RWLSUQRAJMTGBM-IBGZPJMESA-N 1 2 346.434 3.242 40 0 EGABLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCc1cnc(C)s1 ZINC000281363708 275543565 /nfs/dbraw/zinc/54/35/65/275543565.db2.gz BZESQEQEUYCLTJ-AWEZNQCLSA-N 1 2 333.461 3.105 40 0 EGABLO COC(=O)[C@H](c1cccc(Cl)c1Cl)[N@H+](C)C[C@H]1CCOC1 ZINC000096500904 323214778 /nfs/dbraw/zinc/21/47/78/323214778.db2.gz XOSQDPYYUPBOLQ-YGRLFVJLSA-N 1 2 332.227 3.176 40 0 EGABLO COC(=O)[C@H](c1cccc(Cl)c1Cl)[N@@H+](C)C[C@H]1CCOC1 ZINC000096500904 323214780 /nfs/dbraw/zinc/21/47/80/323214780.db2.gz XOSQDPYYUPBOLQ-YGRLFVJLSA-N 1 2 332.227 3.176 40 0 EGABLO CO[C@H]1C[C@@H](N(C)c2[nH+]cnc3c2cnn3-c2ccccc2)C12CCC2 ZINC000578604273 324992302 /nfs/dbraw/zinc/99/23/02/324992302.db2.gz USWJGONOKOCENY-SJORKVTESA-N 1 2 349.438 3.209 40 0 EGABLO O=C(Cc1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000013040779 453442728 /nfs/dbraw/zinc/44/27/28/453442728.db2.gz KSSXDXKWZLOVIK-UHFFFAOYSA-N 1 2 346.833 3.366 40 0 EGABLO COc1c2c(cc3c1[C@@H](CC(=O)c1cccs1)[N@H+](C)CC3)OCO2 ZINC000020111854 453661953 /nfs/dbraw/zinc/66/19/53/453661953.db2.gz PMZKRRGWVUGHGX-GFCCVEGCSA-N 1 2 345.420 3.287 40 0 biogenic EGABLO COc1c2c(cc3c1[C@@H](CC(=O)c1cccs1)[N@@H+](C)CC3)OCO2 ZINC000020111854 453661955 /nfs/dbraw/zinc/66/19/55/453661955.db2.gz PMZKRRGWVUGHGX-GFCCVEGCSA-N 1 2 345.420 3.287 40 0 biogenic EGABLO Nc1ccc2[nH]c(-c3ccc(I)cc3)[nH+]c2c1 ZINC000020480514 453666054 /nfs/dbraw/zinc/66/60/54/453666054.db2.gz BPMBVNBCPZJYPO-UHFFFAOYSA-N 1 2 335.148 3.417 40 0 EGABLO C[C@@H](c1ccco1)N(C)C(=O)NCc1[nH+]ccn1Cc1ccccc1 ZINC000075457212 453893775 /nfs/dbraw/zinc/89/37/75/453893775.db2.gz GVSMUAIZUIPJRC-HNNXBMFYSA-N 1 2 338.411 3.427 40 0 EGABLO C[N@@H+]1CCN2c3ncc(Br)cc3Cc3ccccc3[C@@H]2C1 ZINC000077311416 454089328 /nfs/dbraw/zinc/08/93/28/454089328.db2.gz IGRONFJIVLWNSI-INIZCTEOSA-N 1 2 344.256 3.241 40 0 in-vitro EGABLO C[N@H+]1CCN2c3ncc(Br)cc3Cc3ccccc3[C@@H]2C1 ZINC000077311416 454089331 /nfs/dbraw/zinc/08/93/31/454089331.db2.gz IGRONFJIVLWNSI-INIZCTEOSA-N 1 2 344.256 3.241 40 0 in-vitro EGABLO O=C(NCCCCn1cc[nH+]c1)N[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000077550531 454121668 /nfs/dbraw/zinc/12/16/68/454121668.db2.gz ZEHXLBTVDICFQV-CVEARBPZSA-N 1 2 332.835 3.172 40 0 EGABLO COCc1cccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000044890771 454124598 /nfs/dbraw/zinc/12/45/98/454124598.db2.gz QTKKOSSFSLRVQK-GOSISDBHSA-N 1 2 335.407 3.086 40 0 EGABLO COc1ccc(CCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044907133 454125976 /nfs/dbraw/zinc/12/59/76/454125976.db2.gz WGCJSDCQYDYKNE-UHFFFAOYSA-N 1 2 349.434 3.303 40 0 EGABLO C=Cn1cc(C[N@H+](Cc2ccccc2OC)C[C@H]2CCCO2)c(C)n1 ZINC000057811358 454147645 /nfs/dbraw/zinc/14/76/45/454147645.db2.gz SVPCSSFRSJZYRL-LJQANCHMSA-N 1 2 341.455 3.482 40 0 EGABLO C=Cn1cc(C[N@@H+](Cc2ccccc2OC)C[C@H]2CCCO2)c(C)n1 ZINC000057811358 454147649 /nfs/dbraw/zinc/14/76/49/454147649.db2.gz SVPCSSFRSJZYRL-LJQANCHMSA-N 1 2 341.455 3.482 40 0 EGABLO Fc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)cc1 ZINC000096041816 454266691 /nfs/dbraw/zinc/26/66/91/454266691.db2.gz REOWAJGWHZJMFG-XUVXKRRUSA-N 1 2 342.414 3.169 40 0 EGABLO Fc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)cc1 ZINC000096041816 454266695 /nfs/dbraw/zinc/26/66/95/454266695.db2.gz REOWAJGWHZJMFG-XUVXKRRUSA-N 1 2 342.414 3.169 40 0 EGABLO CCc1ccc(CN2CCc3[nH+]c(NC(C)C)nc(N(C)C)c3C2)o1 ZINC000096254035 454313284 /nfs/dbraw/zinc/31/32/84/454313284.db2.gz JMHSGTYNWFDNOD-UHFFFAOYSA-N 1 2 343.475 3.077 40 0 EGABLO CCc1ccc(C[N@@H+]2CCc3nc(NC(C)C)nc(N(C)C)c3C2)o1 ZINC000096254035 454313287 /nfs/dbraw/zinc/31/32/87/454313287.db2.gz JMHSGTYNWFDNOD-UHFFFAOYSA-N 1 2 343.475 3.077 40 0 EGABLO CCc1ccc(C[N@H+]2CCc3nc(NC(C)C)nc(N(C)C)c3C2)o1 ZINC000096254035 454313291 /nfs/dbraw/zinc/31/32/91/454313291.db2.gz JMHSGTYNWFDNOD-UHFFFAOYSA-N 1 2 343.475 3.077 40 0 EGABLO Cc1nc(-c2cc(C(=O)N[C@@H]3CCC[C@@H]3n3cc[nH+]c3)co2)cs1 ZINC000096403370 454322763 /nfs/dbraw/zinc/32/27/63/454322763.db2.gz VWAVDAIUEMSJRC-HIFRSBDPSA-N 1 2 342.424 3.432 40 0 EGABLO Cc1cccc2[nH+]c(CS(=O)(=O)Cc3ccccc3Cl)cn21 ZINC000096404564 454323184 /nfs/dbraw/zinc/32/31/84/454323184.db2.gz OCGQTPDMZAFABK-UHFFFAOYSA-N 1 2 334.828 3.411 40 0 EGABLO CCc1ccc([C@@H]2COCC[N@@H+]2Cc2cc3ccccc3[nH]c2=O)o1 ZINC000096413020 454330449 /nfs/dbraw/zinc/33/04/49/454330449.db2.gz YFZGGGCIKHCERP-SFHVURJKSA-N 1 2 338.407 3.257 40 0 EGABLO CCc1ccc([C@@H]2COCC[N@H+]2Cc2cc3ccccc3[nH]c2=O)o1 ZINC000096413020 454330454 /nfs/dbraw/zinc/33/04/54/454330454.db2.gz YFZGGGCIKHCERP-SFHVURJKSA-N 1 2 338.407 3.257 40 0 EGABLO O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)[C@@H]1SCCc2ccccc21 ZINC000096431140 454342353 /nfs/dbraw/zinc/34/23/53/454342353.db2.gz ZDUIWJIVOOBYSN-IXDOHACOSA-N 1 2 327.453 3.124 40 0 EGABLO COc1cccc(OC)c1CC(=O)Nc1ccccc1-c1[nH]cc[nH+]1 ZINC000096462025 454359274 /nfs/dbraw/zinc/35/92/74/454359274.db2.gz GSWNUVXWIVKTLP-UHFFFAOYSA-N 1 2 337.379 3.275 40 0 EGABLO C[C@@H](OC1CCCCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000096471726 454361468 /nfs/dbraw/zinc/36/14/68/454361468.db2.gz LUHAXWMCWPKMAD-OAHLLOKOSA-N 1 2 342.443 3.011 40 0 EGABLO O=C(c1cccs1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000096490117 454368221 /nfs/dbraw/zinc/36/82/21/454368221.db2.gz WOFWMIYJQQQUAH-UHFFFAOYSA-N 1 2 337.448 3.386 40 0 EGABLO COCc1noc([C@H](C)[NH+]2CCC(Nc3cccc(C)c3)CC2)n1 ZINC000182186199 455456042 /nfs/dbraw/zinc/45/60/42/455456042.db2.gz YNFIMSIUNABZFY-AWEZNQCLSA-N 1 2 330.432 3.162 40 0 EGABLO CCc1noc(CC)c1CNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000152489312 455126772 /nfs/dbraw/zinc/12/67/72/455126772.db2.gz HTTKUQVMQPQNJP-ZDUSSCGKSA-N 1 2 329.448 3.438 40 0 EGABLO CCc1noc(CC)c1CNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000152489312 455126775 /nfs/dbraw/zinc/12/67/75/455126775.db2.gz HTTKUQVMQPQNJP-ZDUSSCGKSA-N 1 2 329.448 3.438 40 0 EGABLO Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000156556225 455131910 /nfs/dbraw/zinc/13/19/10/455131910.db2.gz QEINPWZKXFIBJP-SWLSCSKDSA-N 1 2 346.500 3.097 40 0 EGABLO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cc2nnnn2CC(F)(F)F)c1 ZINC000190940359 455410744 /nfs/dbraw/zinc/41/07/44/455410744.db2.gz NONZFPGNCHZNDT-AWEZNQCLSA-N 1 2 339.365 3.189 40 0 EGABLO Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2nnnn2CC(F)(F)F)c1 ZINC000190940359 455410747 /nfs/dbraw/zinc/41/07/47/455410747.db2.gz NONZFPGNCHZNDT-AWEZNQCLSA-N 1 2 339.365 3.189 40 0 EGABLO CC(C)c1ncc(C[N@@H+]2CCCC[C@H]2c2ccnc(N(C)C)n2)cn1 ZINC000257274168 455880098 /nfs/dbraw/zinc/88/00/98/455880098.db2.gz NJVRLNNGJCARIE-KRWDZBQOSA-N 1 2 340.475 3.183 40 0 EGABLO CC(C)c1ncc(C[N@H+]2CCCC[C@H]2c2ccnc(N(C)C)n2)cn1 ZINC000257274168 455880104 /nfs/dbraw/zinc/88/01/04/455880104.db2.gz NJVRLNNGJCARIE-KRWDZBQOSA-N 1 2 340.475 3.183 40 0 EGABLO O=C(Cc1cccs1)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257285253 455882740 /nfs/dbraw/zinc/88/27/40/455882740.db2.gz PGHMXIWECOCIOQ-UHFFFAOYSA-N 1 2 325.437 3.345 40 0 EGABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2ccc3ccccc3c2)[nH+]1 ZINC000257306366 455887503 /nfs/dbraw/zinc/88/75/03/455887503.db2.gz STZZDQWXZOOSOW-SFHVURJKSA-N 1 2 335.407 3.014 40 0 EGABLO CCc1noc(C)c1C(=O)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257324560 455891388 /nfs/dbraw/zinc/89/13/88/455891388.db2.gz WPGAKYPHXQRHFU-MRXNPFEDSA-N 1 2 336.395 3.139 40 0 EGABLO COc1ccc2cc(C[N@@H+]3CCO[C@H](c4cnccn4)C3)ccc2c1 ZINC000257341413 455896262 /nfs/dbraw/zinc/89/62/62/455896262.db2.gz ZKERJYKJUIFVKU-FQEVSTJZSA-N 1 2 335.407 3.212 40 0 EGABLO COc1ccc2cc(C[N@H+]3CCO[C@H](c4cnccn4)C3)ccc2c1 ZINC000257341413 455896267 /nfs/dbraw/zinc/89/62/67/455896267.db2.gz ZKERJYKJUIFVKU-FQEVSTJZSA-N 1 2 335.407 3.212 40 0 EGABLO O=C(CC(F)(F)F)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000225452397 456084106 /nfs/dbraw/zinc/08/41/06/456084106.db2.gz KXZBDPJGOOTHBN-NSHDSACASA-N 1 2 338.732 3.122 40 0 EGABLO O=C(CC(F)(F)F)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000225452397 456084110 /nfs/dbraw/zinc/08/41/10/456084110.db2.gz KXZBDPJGOOTHBN-NSHDSACASA-N 1 2 338.732 3.122 40 0 EGABLO Cc1ccc2cc(C[N@@H+](C)[C@H](C(N)=O)c3cccc(F)c3)ccc2n1 ZINC000225477050 456086161 /nfs/dbraw/zinc/08/61/61/456086161.db2.gz QYPMJWVSTQYPFD-IBGZPJMESA-N 1 2 337.398 3.341 40 0 EGABLO Cc1ccc2cc(C[N@H+](C)[C@H](C(N)=O)c3cccc(F)c3)ccc2n1 ZINC000225477050 456086167 /nfs/dbraw/zinc/08/61/67/456086167.db2.gz QYPMJWVSTQYPFD-IBGZPJMESA-N 1 2 337.398 3.341 40 0 EGABLO C=Cn1cc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)c(Cl)c2)cn1 ZINC000225583812 456094542 /nfs/dbraw/zinc/09/45/42/456094542.db2.gz CJCMRUUGQFUEJF-QGZVFWFLSA-N 1 2 345.809 3.389 40 0 EGABLO O=C([O-])C[C@@H]1CC[N@@H+](C2CCC2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514289418 458798452 /nfs/dbraw/zinc/79/84/52/458798452.db2.gz SOSIMIISFKAIJV-STQMWFEESA-N 1 2 345.418 3.210 40 0 biogenic,in-vitro EGABLO O=C([O-])C[C@@H]1CC[N@H+](C2CCC2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514289418 458798456 /nfs/dbraw/zinc/79/84/56/458798456.db2.gz SOSIMIISFKAIJV-STQMWFEESA-N 1 2 345.418 3.210 40 0 biogenic,in-vitro EGABLO CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2cccnc2)[nH+]1 ZINC000585178913 459831656 /nfs/dbraw/zinc/83/16/56/459831656.db2.gz NHCDALVRHARHJZ-SFHVURJKSA-N 1 2 338.455 3.170 40 0 EGABLO CCc1ncc(CN(C)C(=O)NCc2[nH+]cc(C)c(OC)c2C)s1 ZINC000067478171 215152189 /nfs/dbraw/zinc/15/21/89/215152189.db2.gz XKABSMOLDOZEPB-UHFFFAOYSA-N 1 2 348.472 3.068 40 0 EGABLO Cc1ccc(C[NH2+]C2(Cc3cc(-c4cccc(O)c4)on3)COC2)o1 ZINC000067898326 215245488 /nfs/dbraw/zinc/24/54/88/215245488.db2.gz TYLSXUDRRNDDSV-UHFFFAOYSA-N 1 2 340.379 3.050 40 0 biogenic,in-vitro EGABLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[C@@H]1c1ccccc1 ZINC000035670900 213044912 /nfs/dbraw/zinc/04/49/12/213044912.db2.gz PSVNBLDDOHMNPI-UXHICEINSA-N 1 2 336.435 3.261 40 0 EGABLO Cn1ccnc1C[NH+]1CCC(c2nccnc2Oc2ccccc2)CC1 ZINC000072362777 216170049 /nfs/dbraw/zinc/17/00/49/216170049.db2.gz XPCRQOCJQQVACC-UHFFFAOYSA-N 1 2 349.438 3.382 40 0 EGABLO Cc1sc2c([C@@H]3CCCN(c4cnccn4)C3)[nH+]c(C)n2c1C ZINC000072368894 216176052 /nfs/dbraw/zinc/17/60/52/216176052.db2.gz NJLGOTRHLTYXTJ-CQSZACIVSA-N 1 2 327.457 3.495 40 0 EGABLO Cc1cc(N2CCC[C@@H](c3cncc(Oc4cccnc4)n3)C2)nc[nH+]1 ZINC000072383983 216185038 /nfs/dbraw/zinc/18/50/38/216185038.db2.gz UODJDUMGJPZKGK-OAHLLOKOSA-N 1 2 348.410 3.146 40 0 EGABLO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC000022115737 212278189 /nfs/dbraw/zinc/27/81/89/212278189.db2.gz GBSJUGQKOBCQRZ-CYBMUJFWSA-N 1 2 341.249 3.331 40 0 EGABLO Cc1ccccc1O[C@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000216430714 241191028 /nfs/dbraw/zinc/19/10/28/241191028.db2.gz CYCKAZSZBRHESA-MRXNPFEDSA-N 1 2 335.407 3.264 40 0 EGABLO O=C(CCCOc1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020493618 212139621 /nfs/dbraw/zinc/13/96/21/212139621.db2.gz UTGYUKQXHNDGOF-UHFFFAOYSA-N 1 2 335.407 3.348 40 0 EGABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc(N4CCCC4)cc3)C2)[nH+]1 ZINC000257213650 244159505 /nfs/dbraw/zinc/15/95/05/244159505.db2.gz CINKULXGBWPNIP-KRWDZBQOSA-N 1 2 338.455 3.338 40 0 EGABLO Cc1[nH+]cc(-c2cc(CC3CCN(c4ncccn4)CC3)ccn2)n1C ZINC000257222139 244189714 /nfs/dbraw/zinc/18/97/14/244189714.db2.gz DSCNFSIETHCWHC-UHFFFAOYSA-N 1 2 348.454 3.040 40 0 EGABLO CCCn1ccnc1C[NH+]1CC2(C1)CO[C@H](Cc1ccc(F)cc1)C2 ZINC000257258955 244290241 /nfs/dbraw/zinc/29/02/41/244290241.db2.gz KWFHBGHCRGGNHN-GOSISDBHSA-N 1 2 343.446 3.266 40 0 EGABLO CCCn1cc[nH+]c1CN1CC2(C1)CO[C@H](Cc1ccc(F)cc1)C2 ZINC000257258955 244290247 /nfs/dbraw/zinc/29/02/47/244290247.db2.gz KWFHBGHCRGGNHN-GOSISDBHSA-N 1 2 343.446 3.266 40 0 EGABLO COc1ccccc1C[N@H+](C)Cc1cnc([C@H]2CCCCO2)nc1 ZINC000257272863 244382017 /nfs/dbraw/zinc/38/20/17/244382017.db2.gz NEDUETPCIPOOBF-GOSISDBHSA-N 1 2 327.428 3.359 40 0 EGABLO COc1ccccc1C[N@@H+](C)Cc1cnc([C@H]2CCCCO2)nc1 ZINC000257272863 244382022 /nfs/dbraw/zinc/38/20/22/244382022.db2.gz NEDUETPCIPOOBF-GOSISDBHSA-N 1 2 327.428 3.359 40 0 EGABLO CCn1c(C)[nH+]c2cc(NC(=O)c3c4c(nn3C)CCCC4)ccc21 ZINC000019656545 212053138 /nfs/dbraw/zinc/05/31/38/212053138.db2.gz DQNHGAVQAYMZTR-UHFFFAOYSA-N 1 2 337.427 3.229 40 0 EGABLO CSc1ccc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)o1 ZINC000078996249 217169022 /nfs/dbraw/zinc/16/90/22/217169022.db2.gz ZOPSBRISWQOXQH-UHFFFAOYSA-N 1 2 332.425 3.086 40 0 EGABLO O=C(NCCCn1cc[nH+]c1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000079351826 217212801 /nfs/dbraw/zinc/21/28/01/217212801.db2.gz NHUUQTSDCCAKKH-UHFFFAOYSA-N 1 2 337.210 3.491 40 0 EGABLO CC(C)Cc1cnc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000095416199 218355171 /nfs/dbraw/zinc/35/51/71/218355171.db2.gz MNWMVFJMGUPJKO-UHFFFAOYSA-N 1 2 333.461 3.407 40 0 EGABLO O=C(c1scnc1C1CC1)N1CC[NH+](CCc2cccs2)CC1 ZINC000095444823 218388844 /nfs/dbraw/zinc/38/88/44/218388844.db2.gz QDQWLXCNVHIBLZ-UHFFFAOYSA-N 1 2 347.509 3.083 40 0 EGABLO [NH3+][C@@H](c1nc(COc2ccc(F)cc2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533977 218435339 /nfs/dbraw/zinc/43/53/39/218435339.db2.gz HADGXIKCDFXZOL-OAHLLOKOSA-N 1 2 332.766 3.224 40 0 EGABLO CCOC[C@H]1C[N@H+](Cc2scnc2C)Cc2cnn(CC3CC3)c21 ZINC000096068335 218566199 /nfs/dbraw/zinc/56/61/99/218566199.db2.gz XHVNBPCRGWSUPE-MRXNPFEDSA-N 1 2 346.500 3.194 40 0 EGABLO CCOC[C@H]1C[N@@H+](Cc2scnc2C)Cc2cnn(CC3CC3)c21 ZINC000096068335 218566202 /nfs/dbraw/zinc/56/62/02/218566202.db2.gz XHVNBPCRGWSUPE-MRXNPFEDSA-N 1 2 346.500 3.194 40 0 EGABLO Cc1cc(CC(=O)N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)no1 ZINC000096425998 218795020 /nfs/dbraw/zinc/79/50/20/218795020.db2.gz RCNFTYAOKFVNAF-AWEZNQCLSA-N 1 2 347.846 3.084 40 0 EGABLO O=C(C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)NC1CCCCC1 ZINC000004966717 210341808 /nfs/dbraw/zinc/34/18/08/210341808.db2.gz ORUZOARTGXXGAR-UHFFFAOYSA-N 1 2 346.446 3.169 40 0 EGABLO Cc1cc(NC(=O)N[C@H]2CCCN(c3ccccc3F)C2)cc[nH+]1 ZINC000119572106 221350460 /nfs/dbraw/zinc/35/04/60/221350460.db2.gz NBFOSLRBVCZMBO-HNNXBMFYSA-N 1 2 328.391 3.320 40 0 EGABLO CCOC[C@H]1CN(C(=O)c2cccs2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060331 286181163 /nfs/dbraw/zinc/18/11/63/286181163.db2.gz YHDIKZULVMXVBE-CQSZACIVSA-N 1 2 345.468 3.131 40 0 EGABLO COc1cc2c(cc1OC)C1=C([NH2+]C2)c2cc3c(cc2CC1)OCO3 ZINC000100392865 286257744 /nfs/dbraw/zinc/25/77/44/286257744.db2.gz AULRHIHLNFTXIC-UHFFFAOYSA-N 1 2 337.375 3.350 40 0 biogenic,in-vitro EGABLO O=C(NCc1nc(C2CC2)cs1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000123270045 222247155 /nfs/dbraw/zinc/24/71/55/222247155.db2.gz BCAKCYLDXWGROU-ZDUSSCGKSA-N 1 2 331.445 3.180 40 0 EGABLO C[N@@H+](Cc1ccsc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000152923647 454742930 /nfs/dbraw/zinc/74/29/30/454742930.db2.gz WZDQQLMREDKDFZ-CYBMUJFWSA-N 1 2 339.258 3.169 40 0 EGABLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ncnn2-c2ccccc2)o1 ZINC000239352204 455260882 /nfs/dbraw/zinc/26/08/82/455260882.db2.gz ABOJEJVUQIZZMQ-QGZVFWFLSA-N 1 2 338.411 3.344 40 0 EGABLO COCc1ccc([C@H]2CCC[N@H+]2Cc2ncnn2-c2ccccc2)o1 ZINC000239352204 455260884 /nfs/dbraw/zinc/26/08/84/455260884.db2.gz ABOJEJVUQIZZMQ-QGZVFWFLSA-N 1 2 338.411 3.344 40 0 EGABLO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000008024988 453152249 /nfs/dbraw/zinc/15/22/49/453152249.db2.gz SOXCNMGOBRWRSU-HNNXBMFYSA-N 1 2 329.444 3.154 40 0 EGABLO O=c1[nH]c2ccccc2cc1C[NH2+]c1ccc(N2CCC[C@@H](O)C2)cc1 ZINC000013563044 453469402 /nfs/dbraw/zinc/46/94/02/453469402.db2.gz OHHHFGSRCRHJPY-LJQANCHMSA-N 1 2 349.434 3.101 40 0 EGABLO O=C(/C=C/c1ccsc1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000044874911 454123413 /nfs/dbraw/zinc/12/34/13/454123413.db2.gz ONFVIKJGHYJXRC-NHZBNJEXSA-N 1 2 348.493 3.013 40 0 EGABLO COc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1F ZINC000044889248 454124524 /nfs/dbraw/zinc/12/45/24/454124524.db2.gz HSYHBNCBYADOTR-QGZVFWFLSA-N 1 2 339.370 3.087 40 0 EGABLO CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000044896757 454125433 /nfs/dbraw/zinc/12/54/33/454125433.db2.gz FJLZWEYRIGDVKO-UHFFFAOYSA-N 1 2 344.777 3.332 40 0 EGABLO Cc1ccc(C(=O)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000057681244 454140391 /nfs/dbraw/zinc/14/03/91/454140391.db2.gz KTMBGPFKSWXVGK-UHFFFAOYSA-N 1 2 342.483 3.339 40 0 aggregator EGABLO COC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2nn(CC3CC3)cc21 ZINC000096060456 454276935 /nfs/dbraw/zinc/27/69/35/454276935.db2.gz VRHLIWKUVRESGK-KRWDZBQOSA-N 1 2 341.455 3.048 40 0 EGABLO COC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2nn(CC3CC3)cc21 ZINC000096060456 454276939 /nfs/dbraw/zinc/27/69/39/454276939.db2.gz VRHLIWKUVRESGK-KRWDZBQOSA-N 1 2 341.455 3.048 40 0 EGABLO COc1ccsc1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432124 454343441 /nfs/dbraw/zinc/34/34/41/454343441.db2.gz RTWLHWJDLHERNB-LBPRGKRZSA-N 1 2 327.409 3.433 40 0 EGABLO CC[C@@H](C)C[C@@H](C)NC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000096439780 454349585 /nfs/dbraw/zinc/34/95/85/454349585.db2.gz HKNHEUBHVVGAEJ-ZIAGYGMSSA-N 1 2 338.521 3.231 40 0 EGABLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000097233875 454429059 /nfs/dbraw/zinc/42/90/59/454429059.db2.gz SEQQJUWCRNUFSG-SCLBCKFNSA-N 1 2 348.878 3.096 40 0 EGABLO O=C(OCc1ccnc(-n2cc[nH+]c2)c1)c1ncccc1C(F)(F)F ZINC000097374888 454434185 /nfs/dbraw/zinc/43/41/85/454434185.db2.gz PYFIMPJSXQKHGY-UHFFFAOYSA-N 1 2 348.284 3.038 40 0 EGABLO Cc1ccc(CN(C(=O)C(=O)Nc2ccc(C)[nH+]c2C)C(C)C)s1 ZINC000121438668 454435699 /nfs/dbraw/zinc/43/56/99/454435699.db2.gz LOOPOHHHYCXJGX-UHFFFAOYSA-N 1 2 345.468 3.444 40 0 EGABLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000092732976 454617582 /nfs/dbraw/zinc/61/75/82/454617582.db2.gz OOUDQGIPTIZZTJ-UHFFFAOYSA-N 1 2 328.416 3.405 40 0 EGABLO C[N@H+](Cc1ccsc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000152923647 454742926 /nfs/dbraw/zinc/74/29/26/454742926.db2.gz WZDQQLMREDKDFZ-CYBMUJFWSA-N 1 2 339.258 3.169 40 0 EGABLO Cc1[nH]c(C(=O)NC2(c3cccc(Br)c3)CCC2)c[nH+]1 ZINC000600978944 460663405 /nfs/dbraw/zinc/66/34/05/460663405.db2.gz NPMWYLMXMLZYLW-UHFFFAOYSA-N 1 2 334.217 3.290 40 0 EGABLO C[C@@H](C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)CS(C)(=O)=O ZINC000246609345 455511828 /nfs/dbraw/zinc/51/18/28/455511828.db2.gz RFYLRZMHAGPACL-JSGCOSHPSA-N 1 2 338.498 3.114 40 0 EGABLO C[C@@H](C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)CS(C)(=O)=O ZINC000246609345 455511832 /nfs/dbraw/zinc/51/18/32/455511832.db2.gz RFYLRZMHAGPACL-JSGCOSHPSA-N 1 2 338.498 3.114 40 0 EGABLO Cc1ncsc1C[N@H+]1Cc2ccnn2[C@@H](CCOCC2CC2)C1 ZINC000248027342 455672232 /nfs/dbraw/zinc/67/22/32/455672232.db2.gz KUXFDROQKHLSEF-INIZCTEOSA-N 1 2 332.473 3.022 40 0 EGABLO Cc1ncsc1C[N@@H+]1Cc2ccnn2[C@@H](CCOCC2CC2)C1 ZINC000248027342 455672237 /nfs/dbraw/zinc/67/22/37/455672237.db2.gz KUXFDROQKHLSEF-INIZCTEOSA-N 1 2 332.473 3.022 40 0 EGABLO Fc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)no2)c(F)c1 ZINC000249358792 455750419 /nfs/dbraw/zinc/75/04/19/455750419.db2.gz LMIDNFLOTKDASP-NHYWBVRUSA-N 1 2 335.354 3.016 40 0 EGABLO Fc1ccc(-c2nc(C[N@H+]3CC[C@@H]4OCCC[C@H]4C3)no2)c(F)c1 ZINC000249358792 455750424 /nfs/dbraw/zinc/75/04/24/455750424.db2.gz LMIDNFLOTKDASP-NHYWBVRUSA-N 1 2 335.354 3.016 40 0 EGABLO CCCOc1cccc2c(N3CCC(CO)(OC)CC3)cc[nH+]c12 ZINC000252484514 455810100 /nfs/dbraw/zinc/81/01/00/455810100.db2.gz FYJJDTICYLSOPR-UHFFFAOYSA-N 1 2 330.428 3.001 40 0 EGABLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CCc1ccc(O)cc1 ZINC000253428364 455846845 /nfs/dbraw/zinc/84/68/45/455846845.db2.gz AFBWENDBAXUXEY-QGZVFWFLSA-N 1 2 327.428 3.295 40 0 EGABLO Cc1cc(CC2CCN(C(=O)CCc3cc(Cl)no3)CC2)cc[nH+]1 ZINC000257303359 455886367 /nfs/dbraw/zinc/88/63/67/455886367.db2.gz SGWGTGUWFWISCL-UHFFFAOYSA-N 1 2 347.846 3.445 40 0 EGABLO Cc1cc(N2CCC(c3ccnc(Nc4ccccn4)n3)CC2)nc[nH+]1 ZINC000257309631 455887393 /nfs/dbraw/zinc/88/73/93/455887393.db2.gz UBSPZDMEDWPHIX-UHFFFAOYSA-N 1 2 347.426 3.098 40 0 EGABLO Fc1ccc(C[NH+]2CC3(C2)CO[C@@H](Cc2cccnc2)C3)c(F)c1 ZINC000257317171 455890254 /nfs/dbraw/zinc/89/02/54/455890254.db2.gz VIRCYABABMCFKO-KRWDZBQOSA-N 1 2 330.378 3.193 40 0 EGABLO O=C(CCc1ccc(Cl)c(Cl)c1)NCCCn1cc[nH+]c1 ZINC000225334012 456078021 /nfs/dbraw/zinc/07/80/21/456078021.db2.gz UNUVTJSLSIZUKE-UHFFFAOYSA-N 1 2 326.227 3.329 40 0 EGABLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1c3ccc(F)cc3CC[C@H]1C)C2 ZINC000225517753 456088436 /nfs/dbraw/zinc/08/84/36/456088436.db2.gz ZSMCFNTUOGEMIM-BXUZGUMPSA-N 1 2 327.403 3.330 40 0 EGABLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1c3ccc(F)cc3CC[C@H]1C)CC2 ZINC000225517753 456088440 /nfs/dbraw/zinc/08/84/40/456088440.db2.gz ZSMCFNTUOGEMIM-BXUZGUMPSA-N 1 2 327.403 3.330 40 0 EGABLO C[C@H]([NH2+]CC(=O)Nc1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000274579294 456262626 /nfs/dbraw/zinc/26/26/26/456262626.db2.gz IRCRPCAHAHGWIY-VIFPVBQESA-N 1 2 329.347 3.451 40 0 EGABLO Cc1cc(NC(=O)N2CCC(O)(c3c(F)cccc3F)CC2)cc[nH+]1 ZINC000189256653 456264977 /nfs/dbraw/zinc/26/49/77/456264977.db2.gz XMWQLUPIZVCDFL-UHFFFAOYSA-N 1 2 347.365 3.184 40 0 EGABLO Cn1cc[nH+]c1[C@H]1N(C(=O)NC2CCC(F)(F)CC2)CC1(C)C ZINC000333993028 456280623 /nfs/dbraw/zinc/28/06/23/456280623.db2.gz LMPYNGQDONSPHT-GFCCVEGCSA-N 1 2 326.391 3.091 40 0 EGABLO O=C(C1=CCCCC1)N1CC2(C1)OCC[C@H]2CCNc1cccc[nH+]1 ZINC000306134036 456568197 /nfs/dbraw/zinc/56/81/97/456568197.db2.gz NCFRSQDSZNUWRJ-QGZVFWFLSA-N 1 2 341.455 3.002 40 0 EGABLO Cc1cccn2cc(CNC(=O)c3ccn(C4CCCCC4)n3)[nH+]c12 ZINC000329930959 456962385 /nfs/dbraw/zinc/96/23/85/456962385.db2.gz HZZJVSHGKNWFNS-UHFFFAOYSA-N 1 2 337.427 3.274 40 0 EGABLO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1ccccc1F)c1ccccc1 ZINC000029068600 527451644 /nfs/dbraw/zinc/45/16/44/527451644.db2.gz JZZRAGCXAAEDGW-IBGZPJMESA-N 1 2 337.398 3.398 40 0 EGABLO Cc1ccc(NC(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)cc1 ZINC000224142629 547247423 /nfs/dbraw/zinc/24/74/23/547247423.db2.gz QAMTXIIHDWNUOT-UHFFFAOYSA-N 1 2 340.431 3.095 40 0 EGABLO COc1nc(C)cc(N2CCC[C@H](c3[nH]c4ccc(C)cc4[nH+]3)C2)n1 ZINC000680624996 549886837 /nfs/dbraw/zinc/88/68/37/549886837.db2.gz ALCLXUZWQPEHPT-AWEZNQCLSA-N 1 2 337.427 3.362 40 0 EGABLO Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH+]c[nH]3)n2)cc1 ZINC000067898550 215245531 /nfs/dbraw/zinc/24/55/31/215245531.db2.gz BLHAAGPLAIRCPV-INIZCTEOSA-N 1 2 343.818 3.027 40 0 biogenic,in-vitro EGABLO Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c[nH+]3)n2)cc1 ZINC000067898550 215245534 /nfs/dbraw/zinc/24/55/34/215245534.db2.gz BLHAAGPLAIRCPV-INIZCTEOSA-N 1 2 343.818 3.027 40 0 biogenic,in-vitro EGABLO Cc1cc(C(=O)N2CCC(Cn3c(C)[nH+]c4ccccc43)CC2)no1 ZINC000036708731 213111801 /nfs/dbraw/zinc/11/18/01/213111801.db2.gz GQCQBSCNAGLWJJ-UHFFFAOYSA-N 1 2 338.411 3.194 40 0 EGABLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000035670902 213045298 /nfs/dbraw/zinc/04/52/98/213045298.db2.gz PSVNBLDDOHMNPI-VQTJNVASSA-N 1 2 336.435 3.261 40 0 EGABLO Cc1cnccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189755217 237222140 /nfs/dbraw/zinc/22/21/40/237222140.db2.gz WFOYUJHLQCQGGZ-DLBZAZTESA-N 1 2 346.381 3.235 40 0 EGABLO Cc1cnccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189755217 237222152 /nfs/dbraw/zinc/22/21/52/237222152.db2.gz WFOYUJHLQCQGGZ-DLBZAZTESA-N 1 2 346.381 3.235 40 0 EGABLO Cc1cn(C)c([C@H]2CCN(C(=O)Cc3ccc4c(c3)CCCC4)C2)[nH+]1 ZINC000257200355 244117703 /nfs/dbraw/zinc/11/77/03/244117703.db2.gz ACYJNGHRJXMBHX-IBGZPJMESA-N 1 2 337.467 3.166 40 0 EGABLO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2[nH]ncc2C)cc1CO ZINC000257217488 244168942 /nfs/dbraw/zinc/16/89/42/244168942.db2.gz CZEGZQYWEJYOQC-KRWDZBQOSA-N 1 2 329.444 3.336 40 0 EGABLO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2[nH]ncc2C)cc1CO ZINC000257217488 244168951 /nfs/dbraw/zinc/16/89/51/244168951.db2.gz CZEGZQYWEJYOQC-KRWDZBQOSA-N 1 2 329.444 3.336 40 0 EGABLO CNc1cc([C@H]2CCC[N@@H+]2Cc2c(C)nc3sccn23)nc(C)n1 ZINC000257235680 244225524 /nfs/dbraw/zinc/22/55/24/244225524.db2.gz GYWRDNGXECRDGC-CQSZACIVSA-N 1 2 342.472 3.181 40 0 EGABLO CNc1cc([C@H]2CCC[N@H+]2Cc2c(C)nc3sccn23)nc(C)n1 ZINC000257235680 244225532 /nfs/dbraw/zinc/22/55/32/244225532.db2.gz GYWRDNGXECRDGC-CQSZACIVSA-N 1 2 342.472 3.181 40 0 EGABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1CCc1ccncc1 ZINC000257235578 244226484 /nfs/dbraw/zinc/22/64/84/244226484.db2.gz GYKZTHPDJXWVSV-GOSISDBHSA-N 1 2 348.450 3.364 40 0 EGABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000257236689 244229349 /nfs/dbraw/zinc/22/93/49/244229349.db2.gz HDFRFVALZQLIQS-OAHLLOKOSA-N 1 2 349.442 3.026 40 0 EGABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000257236689 244229354 /nfs/dbraw/zinc/22/93/54/244229354.db2.gz HDFRFVALZQLIQS-OAHLLOKOSA-N 1 2 349.442 3.026 40 0 EGABLO CNc1cc([C@@H]2CCCN2C(=O)COc2ccccc2F)cc[nH+]1 ZINC000257243068 244247261 /nfs/dbraw/zinc/24/72/61/244247261.db2.gz IFIYTXQGZPDXDA-HNNXBMFYSA-N 1 2 329.375 3.005 40 0 EGABLO Cc1nc2cc(C(=O)N(C)[C@H]3CCCN(c4cccc[nH+]4)C3)ccc2[nH]1 ZINC000257249825 244266951 /nfs/dbraw/zinc/26/69/51/244266951.db2.gz JJXQRGOVOKTZLG-INIZCTEOSA-N 1 2 349.438 3.007 40 0 EGABLO COc1ccc(-c2nn3c([nH]c([C@@H](C)n4cc[nH+]c4)cc3=O)c2C)cc1 ZINC000019557364 212042375 /nfs/dbraw/zinc/04/23/75/212042375.db2.gz YNPSMVMCROFFAQ-CYBMUJFWSA-N 1 2 349.394 3.225 40 0 EGABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NC2CCCC2)C1 ZINC000019524389 212038449 /nfs/dbraw/zinc/03/84/49/212038449.db2.gz PWNKLTACACMMAZ-HNNXBMFYSA-N 1 2 340.471 3.331 40 0 EGABLO Cc1[nH+]c(C2CCN(C(=O)c3ccccn3)CC2)c2sccn12 ZINC000019240816 212009282 /nfs/dbraw/zinc/00/92/82/212009282.db2.gz XYURHVMIAWORRV-UHFFFAOYSA-N 1 2 326.425 3.119 40 0 EGABLO Cc1csc2c(C3CCN(C(=O)c4cccnc4)CC3)[nH+]c(C)n12 ZINC000019240563 212009361 /nfs/dbraw/zinc/00/93/61/212009361.db2.gz DDIKULKGHKSICL-UHFFFAOYSA-N 1 2 340.452 3.427 40 0 EGABLO COc1cccc(OC)c1C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(C)ncc12 ZINC000012186446 211313191 /nfs/dbraw/zinc/31/31/91/211313191.db2.gz LTNSOTLYYDDCDK-SUMWQHHRSA-N 1 2 325.412 3.064 40 0 EGABLO COc1cccc(OC)c1C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(C)ncc12 ZINC000012186446 211313193 /nfs/dbraw/zinc/31/31/93/211313193.db2.gz LTNSOTLYYDDCDK-SUMWQHHRSA-N 1 2 325.412 3.064 40 0 EGABLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)Cc2cccnc2)CC1 ZINC000093022261 218187363 /nfs/dbraw/zinc/18/73/63/218187363.db2.gz BOPDOMVPIJRQOB-UHFFFAOYSA-N 1 2 348.450 3.400 40 0 EGABLO CCOc1cc(-c2n[nH]c([C@@H]([NH3+])Cc3ccccc3)n2)ccc1OC ZINC000095534935 257700351 /nfs/dbraw/zinc/70/03/51/257700351.db2.gz RTSQATQZVLWKPK-HNNXBMFYSA-N 1 2 338.411 3.122 40 0 EGABLO COc1cc2c3c(c1O)-c1cc(OC)c(OC)cc1C[C@@H]3[N@H+](C)CC2 ZINC000003947618 286261827 /nfs/dbraw/zinc/26/18/27/286261827.db2.gz SAERKXUSZPTMCQ-AWEZNQCLSA-N 1 2 341.407 3.170 40 0 biogenic,in-vitro EGABLO COc1cc2c3c(c1O)-c1cc(OC)c(OC)cc1C[C@@H]3[N@@H+](C)CC2 ZINC000003947618 286261828 /nfs/dbraw/zinc/26/18/28/286261828.db2.gz SAERKXUSZPTMCQ-AWEZNQCLSA-N 1 2 341.407 3.170 40 0 biogenic,in-vitro EGABLO C[C@H](c1nnnn1C1CCCCC1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000189723889 153092725 /nfs/dbraw/zinc/09/27/25/153092725.db2.gz FXPDGZUVYFKKPU-OAHLLOKOSA-N 1 2 342.491 3.437 40 0 EGABLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000189723889 153092727 /nfs/dbraw/zinc/09/27/27/153092727.db2.gz FXPDGZUVYFKKPU-OAHLLOKOSA-N 1 2 342.491 3.437 40 0 EGABLO Cc1cnccc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000274842720 267294870 /nfs/dbraw/zinc/29/48/70/267294870.db2.gz UQOYTACJIKNOJB-UHFFFAOYSA-N 1 2 330.457 3.331 40 0 EGABLO CN(c1[nH+]cnc2c1cnn2C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000329429303 308782340 /nfs/dbraw/zinc/78/23/40/308782340.db2.gz GZUZXLLQTVYDTP-HOTGVXAUSA-N 1 2 337.427 3.046 40 0 EGABLO Cc1ccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)nc1 ZINC000097377048 323215528 /nfs/dbraw/zinc/21/55/28/323215528.db2.gz OWLPJJKZMNPDMD-UHFFFAOYSA-N 1 2 332.451 3.388 40 0 EGABLO Cn1cc(C[N@H+](Cc2ccnn2C)Cc2ccc(Cl)cc2)cn1 ZINC000390835209 324283927 /nfs/dbraw/zinc/28/39/27/324283927.db2.gz GQUWQQLCTYQLFP-UHFFFAOYSA-N 1 2 329.835 3.009 40 0 EGABLO Cn1cc(C[N@@H+](Cc2ccnn2C)Cc2ccc(Cl)cc2)cn1 ZINC000390835209 324283930 /nfs/dbraw/zinc/28/39/30/324283930.db2.gz GQUWQQLCTYQLFP-UHFFFAOYSA-N 1 2 329.835 3.009 40 0 EGABLO O=C(NCCc1cn2ccccc2[nH+]1)NCc1ccc(Cl)cc1 ZINC000026288082 453795761 /nfs/dbraw/zinc/79/57/61/453795761.db2.gz UAMQNVQJFWXSIR-UHFFFAOYSA-N 1 2 328.803 3.030 40 0 EGABLO Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@H](C)n3cc[nH+]c3)cc2)n1 ZINC000081741513 453906814 /nfs/dbraw/zinc/90/68/14/453906814.db2.gz MONIBUOPDRBWHB-HOTGVXAUSA-N 1 2 337.427 3.124 40 0 EGABLO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000034118559 453919500 /nfs/dbraw/zinc/91/95/00/453919500.db2.gz LKESYTWSCKOIMC-DCAQKATOSA-N 1 2 331.243 3.430 40 0 EGABLO Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000055696198 454006988 /nfs/dbraw/zinc/00/69/88/454006988.db2.gz YNKYBXRAZLXMRQ-MRXNPFEDSA-N 1 2 335.407 3.264 40 0 EGABLO Cc1ccc(OC[C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044852983 454122444 /nfs/dbraw/zinc/12/24/44/454122444.db2.gz UANMZFTVYRHLFH-KRWDZBQOSA-N 1 2 349.434 3.437 40 0 EGABLO Cc1ccccc1O[C@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000044948809 454128929 /nfs/dbraw/zinc/12/89/29/454128929.db2.gz VIBLWRUFJOYNBE-MRXNPFEDSA-N 1 2 335.407 3.264 40 0 EGABLO O=C(C[NH+](C[C@@H]1CCCO1)C[C@@H]1CCCO1)c1c[nH]c2ccccc12 ZINC000058147653 454164937 /nfs/dbraw/zinc/16/49/37/454164937.db2.gz OIEUBMIDQXUCAZ-HOTGVXAUSA-N 1 2 342.439 3.011 40 0 EGABLO Fc1ccccc1C[N@@H+]1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@@H]21 ZINC000096041824 454267030 /nfs/dbraw/zinc/26/70/30/454267030.db2.gz NSPLRZVZKVHISV-XUVXKRRUSA-N 1 2 342.414 3.169 40 0 EGABLO Fc1ccccc1C[N@H+]1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@@H]21 ZINC000096041824 454267033 /nfs/dbraw/zinc/26/70/33/454267033.db2.gz NSPLRZVZKVHISV-XUVXKRRUSA-N 1 2 342.414 3.169 40 0 EGABLO CCn1cc2c(n1)C[N@H+](Cc1ccsc1)C[C@H]2COCC1CC1 ZINC000096060421 454277133 /nfs/dbraw/zinc/27/71/33/454277133.db2.gz KBGUBCULFCOZAL-INIZCTEOSA-N 1 2 331.485 3.491 40 0 EGABLO CCn1cc2c(n1)C[N@@H+](Cc1ccsc1)C[C@H]2COCC1CC1 ZINC000096060421 454277129 /nfs/dbraw/zinc/27/71/29/454277129.db2.gz KBGUBCULFCOZAL-INIZCTEOSA-N 1 2 331.485 3.491 40 0 EGABLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1C(F)(F)F ZINC000060341527 454278605 /nfs/dbraw/zinc/27/86/05/454278605.db2.gz AESHRLXBTWVCDE-UHFFFAOYSA-N 1 2 347.300 3.242 40 0 EGABLO COc1ccc(-c2noc(Cn3c4ccccc4[nH+]c3C3CC3)n2)cn1 ZINC000096405316 454323385 /nfs/dbraw/zinc/32/33/85/454323385.db2.gz QLAGNMRGNDXVIM-UHFFFAOYSA-N 1 2 347.378 3.416 40 0 EGABLO Cc1csc(NC(=O)C[NH+]2CCC(Nc3cccc(C)c3)CC2)n1 ZINC000096421198 454336979 /nfs/dbraw/zinc/33/69/79/454336979.db2.gz FEUJVHRAWWYNTQ-UHFFFAOYSA-N 1 2 344.484 3.275 40 0 EGABLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C)nc1 ZINC000096432946 454343416 /nfs/dbraw/zinc/34/34/16/454343416.db2.gz WWMOHYWOFFNHGP-UHFFFAOYSA-N 1 2 338.455 3.164 40 0 EGABLO COC(C)(C)C[C@@H](C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000096434633 454345612 /nfs/dbraw/zinc/34/56/12/454345612.db2.gz TWEYUMQDWODJMX-CYBMUJFWSA-N 1 2 330.432 3.412 40 0 EGABLO O=C(NCCNc1ccc2ccccc2[nH+]1)c1scnc1Cl ZINC000096436739 454347671 /nfs/dbraw/zinc/34/76/71/454347671.db2.gz DBHHKKDXEZXJHH-UHFFFAOYSA-N 1 2 332.816 3.187 40 0 EGABLO CC(C)Cn1cc[nH+]c1CNC(=O)NCc1cc2ccccc2o1 ZINC000096439303 454348513 /nfs/dbraw/zinc/34/85/13/454348513.db2.gz UDKUWLOXYQPEMS-UHFFFAOYSA-N 1 2 326.400 3.285 40 0 EGABLO O=C(NCc1ncc(-c2ccccc2)o1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000096444606 454351780 /nfs/dbraw/zinc/35/17/80/454351780.db2.gz OEPZUDKREXUCQH-GOSISDBHSA-N 1 2 347.418 3.232 40 0 EGABLO O=C(NCc1ncc(-c2ccccc2)o1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000096444606 454351786 /nfs/dbraw/zinc/35/17/86/454351786.db2.gz OEPZUDKREXUCQH-GOSISDBHSA-N 1 2 347.418 3.232 40 0 EGABLO C[C@H]([NH2+]Cc1nc(-c2cccnc2)no1)c1ccc(-n2cccn2)cc1 ZINC000096492183 454369743 /nfs/dbraw/zinc/36/97/43/454369743.db2.gz JZLYOXPYGSRUCQ-AWEZNQCLSA-N 1 2 346.394 3.168 40 0 EGABLO Cc1ccc2c(c1)[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)[C@H](C)C2 ZINC000096500421 454372120 /nfs/dbraw/zinc/37/21/20/454372120.db2.gz ZKTOZMBFZZVBKE-CRAIPNDOSA-N 1 2 326.444 3.157 40 0 EGABLO CCn1cc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cn1 ZINC000097095174 454405551 /nfs/dbraw/zinc/40/55/51/454405551.db2.gz RBEGFODKLYQICS-SJORKVTESA-N 1 2 334.851 3.040 40 0 EGABLO CCn1cc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000097095174 454405555 /nfs/dbraw/zinc/40/55/55/454405555.db2.gz RBEGFODKLYQICS-SJORKVTESA-N 1 2 334.851 3.040 40 0 EGABLO Cn1nc(C(C)(C)C)cc1NC(=O)CSc1[nH+]cc2ccccn21 ZINC000048356557 454478487 /nfs/dbraw/zinc/47/84/87/454478487.db2.gz KWLUBQVHVDPYND-UHFFFAOYSA-N 1 2 343.456 3.096 40 0 EGABLO CC(C)Cn1ncnc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000182872612 455181438 /nfs/dbraw/zinc/18/14/38/455181438.db2.gz AHYOYPUEIDYMGT-UHFFFAOYSA-N 1 2 338.459 3.190 40 0 EGABLO C[C@H](c1nc(-c2ccc(S(C)(=O)=O)cc2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000248946351 455738920 /nfs/dbraw/zinc/73/89/20/455738920.db2.gz OVBKRLBPLAVDNX-JHJVBQTASA-N 1 2 349.456 3.074 40 0 EGABLO CSCC(C)(C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000252506626 455816544 /nfs/dbraw/zinc/81/65/44/455816544.db2.gz WBSVBLRBGHECHG-UHFFFAOYSA-N 1 2 347.484 3.209 40 0 EGABLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cnn(CC(C)C)c1 ZINC000253432442 455848819 /nfs/dbraw/zinc/84/88/19/455848819.db2.gz KJOQKNQCWTVGHB-MRXNPFEDSA-N 1 2 329.448 3.123 40 0 EGABLO CN(C(=O)c1cccc2ncccc21)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257282148 455881542 /nfs/dbraw/zinc/88/15/42/455881542.db2.gz OSMZUYNWNSNZRJ-MRXNPFEDSA-N 1 2 346.434 3.371 40 0 EGABLO Cc1c[nH+]c2n1C[C@H](c1ccccc1)N(C(=O)CCc1cccnc1)C2 ZINC000257283072 455881591 /nfs/dbraw/zinc/88/15/91/455881591.db2.gz OWQWWOYNCYTCRF-LJQANCHMSA-N 1 2 346.434 3.303 40 0 EGABLO Cc1cc(Cc2ccccc2)cc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)n1 ZINC000257285682 455883020 /nfs/dbraw/zinc/88/30/20/455883020.db2.gz PIGPAFUAQNPWQE-FQEVSTJZSA-N 1 2 348.450 3.277 40 0 EGABLO Cc1nc(C)c(C(=O)N2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)s1 ZINC000257294331 455885373 /nfs/dbraw/zinc/88/53/73/455885373.db2.gz QTQUQLROKLPUQS-HNNXBMFYSA-N 1 2 344.484 3.241 40 0 EGABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc4ccccc4n3)C2)[nH+]1 ZINC000257306575 455887865 /nfs/dbraw/zinc/88/78/65/455887865.db2.gz SUWZRDGHRRZBPY-INIZCTEOSA-N 1 2 334.423 3.297 40 0 EGABLO C[C@@H]1C[C@@H]1[C@@H](NC(=O)NCc1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000195531386 455980955 /nfs/dbraw/zinc/98/09/55/455980955.db2.gz KEJWUGLEMWBICE-WPGHFRTFSA-N 1 2 332.835 3.270 40 0 EGABLO CCn1nccc1CNc1ccc(C[NH+]2CCOCC2)c(Cl)c1 ZINC000195559918 455985109 /nfs/dbraw/zinc/98/51/09/455985109.db2.gz YSBVGJHCIBMARA-UHFFFAOYSA-N 1 2 334.851 3.001 40 0 EGABLO C[C@H]1C[C@@H](c2cccnc2)N(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000225485505 456087888 /nfs/dbraw/zinc/08/78/88/456087888.db2.gz ISEKRDJEQPBGAK-HOCLYGCPSA-N 1 2 341.484 3.012 40 0 EGABLO C[C@H]1C[C@@H](c2cccnc2)N(c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000225485505 456087893 /nfs/dbraw/zinc/08/78/93/456087893.db2.gz ISEKRDJEQPBGAK-HOCLYGCPSA-N 1 2 341.484 3.012 40 0 EGABLO O=C(CCCC1CCOCC1)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000225608561 456097224 /nfs/dbraw/zinc/09/72/24/456097224.db2.gz FUMUSCNMUAESHD-UHFFFAOYSA-N 1 2 327.428 3.290 40 0 EGABLO Fc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)no2)c(F)c1 ZINC000189092126 456223812 /nfs/dbraw/zinc/22/38/12/456223812.db2.gz LMIDNFLOTKDASP-ABAIWWIYSA-N 1 2 335.354 3.016 40 0 EGABLO Fc1ccc(-c2nc(C[N@H+]3CC[C@@H]4OCCC[C@@H]4C3)no2)c(F)c1 ZINC000189092126 456223818 /nfs/dbraw/zinc/22/38/18/456223818.db2.gz LMIDNFLOTKDASP-ABAIWWIYSA-N 1 2 335.354 3.016 40 0 EGABLO CCCc1ccc(C[N@@H+]2CC(F)(F)C[C@]3(CCCNC3=O)C2)cc1 ZINC000306136079 456567062 /nfs/dbraw/zinc/56/70/62/456567062.db2.gz PIMGFNTWTUFXPI-GOSISDBHSA-N 1 2 336.426 3.377 40 0 EGABLO CCCc1ccc(C[N@H+]2CC(F)(F)C[C@]3(CCCNC3=O)C2)cc1 ZINC000306136079 456567073 /nfs/dbraw/zinc/56/70/73/456567073.db2.gz PIMGFNTWTUFXPI-GOSISDBHSA-N 1 2 336.426 3.377 40 0 EGABLO CCCCc1[nH]c(CN2CCN(C(C)=O)C[C@@H]2c2ccccc2)c[nH+]1 ZINC000257203226 535100882 /nfs/dbraw/zinc/10/08/82/535100882.db2.gz APDLKQNFWAEUJM-LJQANCHMSA-N 1 2 340.471 3.158 40 0 EGABLO CCCCc1[nH]cc(CN2CCN(C(C)=O)C[C@@H]2c2ccccc2)[nH+]1 ZINC000257203226 535100886 /nfs/dbraw/zinc/10/08/86/535100886.db2.gz APDLKQNFWAEUJM-LJQANCHMSA-N 1 2 340.471 3.158 40 0 EGABLO Cc1nc(NCc2cnn3c2CCCC3)c(Br)c(C)[nH+]1 ZINC001336728394 1389148970 /nfs/dbraw/zinc/14/89/70/1389148970.db2.gz BYIPJUPGVCFRTB-UHFFFAOYSA-N 1 2 336.237 3.001 40 0 EGABLO CCN(CC)P(NC(=O)C(Cl)(Cl)Cl)[NH+](CC)CC ZINC000003304883 210002396 /nfs/dbraw/zinc/00/23/96/210002396.db2.gz QETXQLXYQFPGHM-UHFFFAOYSA-N 1 2 336.631 3.383 40 0 EGABLO Cc1cc(C)cc(-n2ncc3c2nc[nH+]c3NCc2cccnc2)c1 ZINC000035681870 213046179 /nfs/dbraw/zinc/04/61/79/213046179.db2.gz KOBZPFLJALSXCE-UHFFFAOYSA-N 1 2 330.395 3.439 40 0 EGABLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[C@H]1c1ccccc1 ZINC000035670898 213044932 /nfs/dbraw/zinc/04/49/32/213044932.db2.gz PSVNBLDDOHMNPI-PMACEKPBSA-N 1 2 336.435 3.261 40 0 EGABLO O=C(c1ccc(-c2ccco2)o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000072243265 216082247 /nfs/dbraw/zinc/08/22/47/216082247.db2.gz KIXUTLYMHZBYEK-UHFFFAOYSA-N 1 2 336.391 3.498 40 0 EGABLO COc1cccc2c(N3CCC(OC[C@@H]4CCCO4)CC3)cc[nH+]c12 ZINC000195571629 241019558 /nfs/dbraw/zinc/01/95/58/241019558.db2.gz ZCDSIPMATZJXEN-INIZCTEOSA-N 1 2 342.439 3.408 40 0 EGABLO Cn1c2ccccc2c(C(=O)CN2CC[NH+](C)CC2)c1-c1ccccc1 ZINC000022038106 212273217 /nfs/dbraw/zinc/27/32/17/212273217.db2.gz UZYWQTJLUYRTRD-UHFFFAOYSA-N 1 2 347.462 3.275 40 0 EGABLO Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NCCCn1cc[nH+]c1 ZINC000257173735 244067113 /nfs/dbraw/zinc/06/71/13/244067113.db2.gz VZAMLQFHABXYCK-UHFFFAOYSA-N 1 2 338.386 3.213 40 0 EGABLO CNc1cc([C@H]2CCCN2C(=O)c2cc(CC(C)C)nn2C)cc[nH+]1 ZINC000257220946 244185545 /nfs/dbraw/zinc/18/55/45/244185545.db2.gz DMXHROLIYWPHJE-MRXNPFEDSA-N 1 2 341.459 3.033 40 0 EGABLO COc1ccc(CC(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)cc1 ZINC000257259455 244292395 /nfs/dbraw/zinc/29/23/95/244292395.db2.gz KYMHKTWTMVCUHF-GOSISDBHSA-N 1 2 339.439 3.062 40 0 EGABLO C[C@@H](CC(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1)n1cc[nH+]c1 ZINC000019455203 212029444 /nfs/dbraw/zinc/02/94/44/212029444.db2.gz XMYHCMINJYPGJC-GOEBONIOSA-N 1 2 337.427 3.117 40 0 EGABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1cc2c(cc1Cl)OCO2 ZINC000012186470 211313727 /nfs/dbraw/zinc/31/37/27/211313727.db2.gz LKJLCMQQHPVCCQ-WBMJQRKESA-N 1 2 343.814 3.429 40 0 EGABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1cc2c(cc1Cl)OCO2 ZINC000012186470 211313732 /nfs/dbraw/zinc/31/37/32/211313732.db2.gz LKJLCMQQHPVCCQ-WBMJQRKESA-N 1 2 343.814 3.429 40 0 EGABLO COc1ccc([C@@H](NC(=O)N(C(C)C)C(C)C)c2[nH+]ccn2C)cc1 ZINC000012114915 211294822 /nfs/dbraw/zinc/29/48/22/211294822.db2.gz LXYODFTXDPMSBV-QGZVFWFLSA-N 1 2 344.459 3.347 40 0 EGABLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)NCCCF)CC1 ZINC000093138174 218197482 /nfs/dbraw/zinc/19/74/82/218197482.db2.gz HHVRVNCMVJVECH-UHFFFAOYSA-N 1 2 332.423 3.305 40 0 EGABLO COc1ccc([C@@H]2Nc3cc(Cl)ccc3C3=[NH+]CCN32)cc1CO ZINC000072342088 257914040 /nfs/dbraw/zinc/91/40/40/257914040.db2.gz LWFFXOZYTVLIBW-QGZVFWFLSA-N 1 2 343.814 3.027 40 0 EGABLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc(C)no2)CC1 ZINC000093022295 276693362 /nfs/dbraw/zinc/69/33/62/276693362.db2.gz UEYZLGYNIRKTTJ-UHFFFAOYSA-N 1 2 338.411 3.372 40 0 EGABLO Cc1cc(C(=O)N2CCCC[C@H]2c2[nH+]c(C)n3ccsc23)no1 ZINC000257302643 301093024 /nfs/dbraw/zinc/09/30/24/301093024.db2.gz SDRHLKJPZSGNJF-ZDUSSCGKSA-N 1 2 330.413 3.368 40 0 EGABLO Cc1ccc2[nH+]cc(CNc3nnc([C@@H]4Cc5ccccc5O4)o3)n2c1 ZINC000097231699 323215099 /nfs/dbraw/zinc/21/50/99/323215099.db2.gz XLBUQLLBQPMECJ-INIZCTEOSA-N 1 2 347.378 3.314 40 0 EGABLO CC1(C)C[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C(C)(C)O1 ZINC000180765733 455241304 /nfs/dbraw/zinc/24/13/04/455241304.db2.gz PCAZHVJXFOCRNX-MRXNPFEDSA-N 1 2 342.443 3.018 40 0 EGABLO C[C@@H]1CN(C(=S)Nc2ccccc2)[C@@H](C)CN1c1cccc[nH+]1 ZINC000004707683 452814650 /nfs/dbraw/zinc/81/46/50/452814650.db2.gz ITJYKFHLJRPYSS-CABCVRRESA-N 1 2 326.469 3.378 40 0 EGABLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(Cl)c[nH]1)c1ccccc1F ZINC000032842344 453893297 /nfs/dbraw/zinc/89/32/97/453893297.db2.gz ZZEBTDQQAJSJKD-CQSZACIVSA-N 1 2 332.766 3.060 40 0 EGABLO COCc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000032860030 453894539 /nfs/dbraw/zinc/89/45/39/453894539.db2.gz NPHGEDZBADKPDT-UHFFFAOYSA-N 1 2 335.407 3.008 40 0 EGABLO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(C)no2)cc1 ZINC000032901362 453895770 /nfs/dbraw/zinc/89/57/70/453895770.db2.gz BXZSQPDQYMLEQH-MRXNPFEDSA-N 1 2 329.400 3.157 40 0 EGABLO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(C)no2)cc1 ZINC000032901362 453895772 /nfs/dbraw/zinc/89/57/72/453895772.db2.gz BXZSQPDQYMLEQH-MRXNPFEDSA-N 1 2 329.400 3.157 40 0 EGABLO C[C@@H](NC(=O)NCc1[nH+]ccn1CCc1ccccc1)c1ccncc1 ZINC000083642730 453954614 /nfs/dbraw/zinc/95/46/14/453954614.db2.gz MNMIPIAJADHYRL-MRXNPFEDSA-N 1 2 349.438 3.081 40 0 EGABLO [NH3+][C@@H](Cc1ccccc1)c1nnc(COc2ccc(Cl)cc2)[nH]1 ZINC000095534826 454230413 /nfs/dbraw/zinc/23/04/13/454230413.db2.gz BLXLJBCTHLBKKE-HNNXBMFYSA-N 1 2 328.803 3.280 40 0 EGABLO CCOc1cc([C@@H]([NH3+])c2nnc(-c3ccc(C)cc3)[nH]2)ccc1OC ZINC000095534457 454230925 /nfs/dbraw/zinc/23/09/25/454230925.db2.gz IDMXVPYMJUNPGJ-QGZVFWFLSA-N 1 2 338.411 3.236 40 0 EGABLO CCOc1cc([C@@H]([NH3+])c2nc(-c3ccc(C)cc3)n[nH]2)ccc1OC ZINC000095534457 454230928 /nfs/dbraw/zinc/23/09/28/454230928.db2.gz IDMXVPYMJUNPGJ-QGZVFWFLSA-N 1 2 338.411 3.236 40 0 EGABLO Fc1cccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)c1 ZINC000096041823 454267100 /nfs/dbraw/zinc/26/71/00/454267100.db2.gz OPMXFAQUDDRFHS-XUVXKRRUSA-N 1 2 342.414 3.169 40 0 EGABLO Fc1cccc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)c1 ZINC000096041823 454267103 /nfs/dbraw/zinc/26/71/03/454267103.db2.gz OPMXFAQUDDRFHS-XUVXKRRUSA-N 1 2 342.414 3.169 40 0 EGABLO CNc1[nH+]cc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1C ZINC000072218989 454275035 /nfs/dbraw/zinc/27/50/35/454275035.db2.gz MFIRWLDVCUJTOP-QGZVFWFLSA-N 1 2 345.468 3.266 40 0 EGABLO COC[C@H]1c2c(cnn2CC2CC2)CC[N@H+]1Cc1ccc(OC)cc1 ZINC000096197858 454301763 /nfs/dbraw/zinc/30/17/63/454301763.db2.gz BKPZEDONRSDWAR-IBGZPJMESA-N 1 2 341.455 3.048 40 0 EGABLO COC[C@H]1c2c(cnn2CC2CC2)CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000096197858 454301766 /nfs/dbraw/zinc/30/17/66/454301766.db2.gz BKPZEDONRSDWAR-IBGZPJMESA-N 1 2 341.455 3.048 40 0 EGABLO Cc1cc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(F)c2)c2ccccc2n1 ZINC000096412953 454330107 /nfs/dbraw/zinc/33/01/07/454330107.db2.gz LNNURZOUPDIMDQ-LJQANCHMSA-N 1 2 337.398 3.341 40 0 EGABLO Cc1cc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(F)c2)c2ccccc2n1 ZINC000096412953 454330109 /nfs/dbraw/zinc/33/01/09/454330109.db2.gz LNNURZOUPDIMDQ-LJQANCHMSA-N 1 2 337.398 3.341 40 0 EGABLO COCc1ccccc1C(=O)NCc1[nH+]ccn1Cc1ccccc1 ZINC000096431594 454342122 /nfs/dbraw/zinc/34/21/22/454342122.db2.gz UFMKYYDZWSTXOE-UHFFFAOYSA-N 1 2 335.407 3.008 40 0 EGABLO C[C@@H](NC(=O)[C@@H]1COc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432051 454343555 /nfs/dbraw/zinc/34/35/55/454343555.db2.gz NDNZMHWSVNIHFW-RDTXWAMCSA-N 1 2 333.391 3.226 40 0 EGABLO COc1c(F)cc(NC(=O)NCc2[nH+]ccn2CC(C)C)cc1F ZINC000096434201 454345549 /nfs/dbraw/zinc/34/55/49/454345549.db2.gz HLSBBJJTTOAZOY-UHFFFAOYSA-N 1 2 338.358 3.148 40 0 EGABLO O=C(NCCCCn1cc[nH+]c1)c1conc1-c1ccc(Cl)cc1 ZINC000096436184 454347597 /nfs/dbraw/zinc/34/75/97/454347597.db2.gz MTHPSQJSDXVZGO-UHFFFAOYSA-N 1 2 344.802 3.402 40 0 EGABLO C[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000096439344 454348726 /nfs/dbraw/zinc/34/87/26/454348726.db2.gz CBONQFQPWARQSP-HKUYNNGSSA-N 1 2 340.471 3.499 40 0 EGABLO CC(=O)NC1CCC([NH2+]c2ccc(OC3CCOCC3)c(C)c2)CC1 ZINC000134000681 454491218 /nfs/dbraw/zinc/49/12/18/454491218.db2.gz RGAJFXJEMBAULK-UHFFFAOYSA-N 1 2 346.471 3.412 40 0 EGABLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](c3ccc(C)o3)C2)o1 ZINC000093864662 454741571 /nfs/dbraw/zinc/74/15/71/454741571.db2.gz BBTSHICVPFTBOV-QGZVFWFLSA-N 1 2 327.384 3.453 40 0 EGABLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H](c3ccc(C)o3)C2)o1 ZINC000093864662 454741575 /nfs/dbraw/zinc/74/15/75/454741575.db2.gz BBTSHICVPFTBOV-QGZVFWFLSA-N 1 2 327.384 3.453 40 0 EGABLO c1nc(C[N@@H+]2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)c[nH]1 ZINC000257286813 455883088 /nfs/dbraw/zinc/88/30/88/455883088.db2.gz PNDQXDRNSOSPMZ-OAHLLOKOSA-N 1 2 335.411 3.372 40 0 EGABLO c1nc(C[N@H+]2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)c[nH]1 ZINC000257286813 455883092 /nfs/dbraw/zinc/88/30/92/455883092.db2.gz PNDQXDRNSOSPMZ-OAHLLOKOSA-N 1 2 335.411 3.372 40 0 EGABLO c1ncc(C[N@@H+]2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)[nH]1 ZINC000257286813 455883098 /nfs/dbraw/zinc/88/30/98/455883098.db2.gz PNDQXDRNSOSPMZ-OAHLLOKOSA-N 1 2 335.411 3.372 40 0 EGABLO c1ncc(C[N@H+]2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)[nH]1 ZINC000257286813 455883100 /nfs/dbraw/zinc/88/31/00/455883100.db2.gz PNDQXDRNSOSPMZ-OAHLLOKOSA-N 1 2 335.411 3.372 40 0 EGABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc4ccccc4n3)C2)[nH+]1 ZINC000257306576 455888221 /nfs/dbraw/zinc/88/82/21/455888221.db2.gz SUWZRDGHRRZBPY-MRXNPFEDSA-N 1 2 334.423 3.297 40 0 EGABLO Cn1c[nH+]cc1-c1cccc(C2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000257343531 455896125 /nfs/dbraw/zinc/89/61/25/455896125.db2.gz ZTJCFNPTKGOZBH-UHFFFAOYSA-N 1 2 326.444 3.234 40 0 EGABLO Cc1nc(N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc[nH+]1 ZINC000895691497 1309467127 /nfs/dbraw/zinc/46/71/27/1309467127.db2.gz GOFUXMWCQVYONM-UHFFFAOYSA-N 1 2 338.333 3.247 40 0 EGABLO ClC(Cl)(Cl)[C@@H]([NH2+]CCN1CCOCC1)c1ccccc1 ZINC000022877123 212331745 /nfs/dbraw/zinc/33/17/45/212331745.db2.gz CHFRXZMCDPCUBY-ZDUSSCGKSA-N 1 2 337.678 3.020 40 0 EGABLO O=C(NC1CCCCCCC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068370244 215302164 /nfs/dbraw/zinc/30/21/64/215302164.db2.gz QPPXXYTZZRIGIZ-UHFFFAOYSA-N 1 2 330.472 3.362 40 0 EGABLO C[C@H](CNC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000068384259 215303761 /nfs/dbraw/zinc/30/37/61/215303761.db2.gz UAOVSRMEZNCYTF-QGZVFWFLSA-N 1 2 338.451 3.052 40 0 EGABLO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1cccc(Cl)c1 ZINC000022916310 212333895 /nfs/dbraw/zinc/33/38/95/212333895.db2.gz CDZDTOMVCRQXSJ-UHFFFAOYSA-N 1 2 349.887 3.158 40 0 EGABLO C[C@H]1C[NH+](CCNC(=O)c2ccc(-c3ccccc3)cc2)C[C@H](C)O1 ZINC000022612141 212311318 /nfs/dbraw/zinc/31/13/18/212311318.db2.gz RVUMYGOGHIIDAX-IRXDYDNUSA-N 1 2 338.451 3.193 40 0 EGABLO C[C@@H]1C[NH+](CCNC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 ZINC000022612139 212311066 /nfs/dbraw/zinc/31/10/66/212311066.db2.gz RVUMYGOGHIIDAX-IAGOWNOFSA-N 1 2 338.451 3.193 40 0 EGABLO COc1cccc2c(N3CCC(OC[C@H]4CCCO4)CC3)cc[nH+]c12 ZINC000195571632 241019465 /nfs/dbraw/zinc/01/94/65/241019465.db2.gz ZCDSIPMATZJXEN-MRXNPFEDSA-N 1 2 342.439 3.408 40 0 EGABLO CN(C)c1ccc2cc(NC(=O)C3(c4cccnc4)CC3)ccc2[nH+]1 ZINC000242242357 243013639 /nfs/dbraw/zinc/01/36/39/243013639.db2.gz XUCKCUCTDDXZQK-UHFFFAOYSA-N 1 2 332.407 3.366 40 0 EGABLO Cc1nnc([C@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)s1 ZINC000253392223 243887607 /nfs/dbraw/zinc/88/76/07/243887607.db2.gz LNJBMNVZZVSUGZ-LBPRGKRZSA-N 1 2 330.457 3.258 40 0 EGABLO c1nc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3ncccn3)c2)cs1 ZINC000257224832 244198788 /nfs/dbraw/zinc/19/87/88/244198788.db2.gz FDPCPAFYPNCZGT-OAHLLOKOSA-N 1 2 338.440 3.409 40 0 EGABLO c1nc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3ncccn3)c2)cs1 ZINC000257224832 244198798 /nfs/dbraw/zinc/19/87/98/244198798.db2.gz FDPCPAFYPNCZGT-OAHLLOKOSA-N 1 2 338.440 3.409 40 0 EGABLO CCCn1cc(Cl)c(C(=O)N2CCC[C@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257227329 244205328 /nfs/dbraw/zinc/20/53/28/244205328.db2.gz FOTVBYVOSUOJTI-ZDUSSCGKSA-N 1 2 349.866 3.008 40 0 EGABLO Cc1c[nH]c([C@@H]2COCCN2Cc2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000257269177 244370659 /nfs/dbraw/zinc/37/06/59/244370659.db2.gz MOWUSZVYXJWENC-AWEZNQCLSA-N 1 2 325.334 3.310 40 0 EGABLO c1nc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)cs1 ZINC000257262570 244353866 /nfs/dbraw/zinc/35/38/66/244353866.db2.gz LLXYRKKACWFEKZ-OAHLLOKOSA-N 1 2 338.440 3.409 40 0 EGABLO c1nc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)cs1 ZINC000257262570 244353870 /nfs/dbraw/zinc/35/38/70/244353870.db2.gz LLXYRKKACWFEKZ-OAHLLOKOSA-N 1 2 338.440 3.409 40 0 EGABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3c(C)onc3C(C)C)C2)[nH+]1 ZINC000257271491 244380587 /nfs/dbraw/zinc/38/05/87/244380587.db2.gz MYOIUYNHLNSXNQ-AWEZNQCLSA-N 1 2 330.432 3.168 40 0 EGABLO O=C(C[N@H+]1CCC[C@H](COc2ccccc2F)C1)Nc1nccs1 ZINC000019657767 212054787 /nfs/dbraw/zinc/05/47/87/212054787.db2.gz WWEAGPDALZWDSE-ZDUSSCGKSA-N 1 2 349.431 3.012 40 0 EGABLO O=C(C[N@@H+]1CCC[C@H](COc2ccccc2F)C1)Nc1nccs1 ZINC000019657767 212054789 /nfs/dbraw/zinc/05/47/89/212054789.db2.gz WWEAGPDALZWDSE-ZDUSSCGKSA-N 1 2 349.431 3.012 40 0 EGABLO Cc1c(-c2cccs2)nn2c1[nH]c([C@H](C)n1cc[nH+]c1)cc2=O ZINC000019557375 212042792 /nfs/dbraw/zinc/04/27/92/212042792.db2.gz QEYRZTIAJCFJJN-NSHDSACASA-N 1 2 325.397 3.278 40 0 EGABLO O=C(c1ncoc1-c1cccs1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000078661783 217096794 /nfs/dbraw/zinc/09/67/94/217096794.db2.gz IKMBHBFGPIRKAX-LLVKDONJSA-N 1 2 328.397 3.494 40 0 EGABLO Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)CC2)o1 ZINC000012114397 211292596 /nfs/dbraw/zinc/29/25/96/211292596.db2.gz BYBILVUIQVBXSN-UHFFFAOYSA-N 1 2 340.379 3.045 40 0 EGABLO Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)CC2)o1 ZINC000012114397 211292599 /nfs/dbraw/zinc/29/25/99/211292599.db2.gz BYBILVUIQVBXSN-UHFFFAOYSA-N 1 2 340.379 3.045 40 0 EGABLO [NH3+][C@@H](c1nc(COc2ccc(Cl)cc2)n[nH]1)c1ccc(F)cc1 ZINC000095533243 218433439 /nfs/dbraw/zinc/43/34/39/218433439.db2.gz VNDYKKZWGNLADY-OAHLLOKOSA-N 1 2 332.766 3.224 40 0 EGABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2ccsc2)c1 ZINC000257229950 277458441 /nfs/dbraw/zinc/45/84/41/277458441.db2.gz GACQFWOGVHOTPX-MRXNPFEDSA-N 1 2 339.420 3.351 40 0 EGABLO Cc1c(N[C@H]2CCc3ccc[nH+]c3CC2)cnn1C1CCOCC1 ZINC000333798716 308868606 /nfs/dbraw/zinc/86/86/06/308868606.db2.gz XTLDYSSMYAMZBF-INIZCTEOSA-N 1 2 326.444 3.298 40 0 EGABLO Cc1noc(CCC(=O)Nc2ccc(Oc3cc[nH+]cc3)c(C)c2)n1 ZINC000193702310 323841542 /nfs/dbraw/zinc/84/15/42/323841542.db2.gz QOPOMALRMNEPDL-UHFFFAOYSA-N 1 2 338.367 3.445 40 0 EGABLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000012974216 453431085 /nfs/dbraw/zinc/43/10/85/453431085.db2.gz SXMJZDJIWREUPM-GOSISDBHSA-N 1 2 344.842 3.143 40 0 EGABLO COc1ccc(NC(=O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1OC ZINC000014360924 453532507 /nfs/dbraw/zinc/53/25/07/453532507.db2.gz FNMBOFQNKMZPNR-UHFFFAOYSA-N 1 2 339.395 3.309 40 0 EGABLO CC(=O)c1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)s1 ZINC000029069819 453826207 /nfs/dbraw/zinc/82/62/07/453826207.db2.gz QFBWNOBXUDNFQW-INIZCTEOSA-N 1 2 339.420 3.204 40 0 EGABLO Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000030752732 453837814 /nfs/dbraw/zinc/83/78/14/453837814.db2.gz ZROUOBLIQBJUMR-INIZCTEOSA-N 1 2 335.407 3.264 40 0 EGABLO O=C1N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]2CN1C1CCCCC1 ZINC000077266858 454083388 /nfs/dbraw/zinc/08/33/88/454083388.db2.gz NQZSPJFLOQNIRK-GOSISDBHSA-N 1 2 331.435 3.080 40 0 biogenic,in-vitro EGABLO O=C1N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]2CN1C1CCCCC1 ZINC000077266858 454083391 /nfs/dbraw/zinc/08/33/91/454083391.db2.gz NQZSPJFLOQNIRK-GOSISDBHSA-N 1 2 331.435 3.080 40 0 biogenic,in-vitro EGABLO OCCOc1cc(F)ccc1NCc1[nH+]ccn1Cc1ccccc1 ZINC000088525680 454110335 /nfs/dbraw/zinc/11/03/35/454110335.db2.gz GEPDGDJIYBLCKQ-UHFFFAOYSA-N 1 2 341.386 3.054 40 0 EGABLO CC(C)Nc1cccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000088615706 454115811 /nfs/dbraw/zinc/11/58/11/454115811.db2.gz VKOBEUIXYNHFOM-UHFFFAOYSA-N 1 2 341.459 3.250 40 0 EGABLO Brc1ccc(C[NH+]2CC(c3nc(C4CC4)no3)C2)cc1 ZINC000070637012 454170251 /nfs/dbraw/zinc/17/02/51/454170251.db2.gz BMFMSCZJBYOKCU-UHFFFAOYSA-N 1 2 334.217 3.309 40 0 EGABLO COc1ccc([C@H]([NH3+])c2nc(COc3ccc(Cl)cc3)n[nH]2)cc1 ZINC000095533650 454230647 /nfs/dbraw/zinc/23/06/47/454230647.db2.gz IYDXTEPDVDZTBV-INIZCTEOSA-N 1 2 344.802 3.094 40 0 EGABLO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccc(F)cc3)n[nH]2)cc1OC ZINC000095534209 454230720 /nfs/dbraw/zinc/23/07/20/454230720.db2.gz JKCNNUDTQWEGSC-MRXNPFEDSA-N 1 2 342.374 3.066 40 0 EGABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(C)cc3)[nH]2)cc1OC ZINC000095534313 454230736 /nfs/dbraw/zinc/23/07/36/454230736.db2.gz CDBYQNYZWXZBRC-QGZVFWFLSA-N 1 2 338.411 3.236 40 0 EGABLO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccc(C)cc3)n[nH]2)cc1OC ZINC000095534313 454230740 /nfs/dbraw/zinc/23/07/40/454230740.db2.gz CDBYQNYZWXZBRC-QGZVFWFLSA-N 1 2 338.411 3.236 40 0 EGABLO Cn1ncc2c1C[N@H+](Cc1ccccc1F)C[C@H]2COCC1CC1 ZINC000096044656 454268098 /nfs/dbraw/zinc/26/80/98/454268098.db2.gz NIDLUBNISWSWOR-INIZCTEOSA-N 1 2 329.419 3.085 40 0 EGABLO Cn1ncc2c1C[N@@H+](Cc1ccccc1F)C[C@H]2COCC1CC1 ZINC000096044656 454268104 /nfs/dbraw/zinc/26/81/04/454268104.db2.gz NIDLUBNISWSWOR-INIZCTEOSA-N 1 2 329.419 3.085 40 0 EGABLO Cc1noc(C)c1C[N@@H+]1CCc2c(COCC3CC3)cncc2C1 ZINC000096059305 454276544 /nfs/dbraw/zinc/27/65/44/454276544.db2.gz UYPHXLUPSVWCDT-UHFFFAOYSA-N 1 2 327.428 3.171 40 0 EGABLO Cc1noc(C)c1C[N@H+]1CCc2c(COCC3CC3)cncc2C1 ZINC000096059305 454276553 /nfs/dbraw/zinc/27/65/53/454276553.db2.gz UYPHXLUPSVWCDT-UHFFFAOYSA-N 1 2 327.428 3.171 40 0 EGABLO CCOC[C@H]1CN(Cc2ccc(C)o2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060315 454277237 /nfs/dbraw/zinc/27/72/37/454277237.db2.gz NDQPTNMXVNQELU-MRXNPFEDSA-N 1 2 329.444 3.330 40 0 EGABLO CCOC[C@H]1C[N@H+](Cc2ccc(C)o2)Cc2ncn(CC3CC3)c21 ZINC000096060315 454277239 /nfs/dbraw/zinc/27/72/39/454277239.db2.gz NDQPTNMXVNQELU-MRXNPFEDSA-N 1 2 329.444 3.330 40 0 EGABLO CCOC[C@H]1C[N@@H+](Cc2ccc(C)o2)Cc2ncn(CC3CC3)c21 ZINC000096060315 454277243 /nfs/dbraw/zinc/27/72/43/454277243.db2.gz NDQPTNMXVNQELU-MRXNPFEDSA-N 1 2 329.444 3.330 40 0 EGABLO Cc1nc(CN2CC[N@H+](Cc3ccoc3)Cc3cccnc32)cs1 ZINC000096260854 454314443 /nfs/dbraw/zinc/31/44/43/454314443.db2.gz FLYKCVGUNZPLCD-UHFFFAOYSA-N 1 2 340.452 3.462 40 0 EGABLO Cc1nc(CN2CC[N@@H+](Cc3ccoc3)Cc3cccnc32)cs1 ZINC000096260854 454314449 /nfs/dbraw/zinc/31/44/49/454314449.db2.gz FLYKCVGUNZPLCD-UHFFFAOYSA-N 1 2 340.452 3.462 40 0 EGABLO Cc1cc(NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)cc[nH+]1 ZINC000096423708 454337665 /nfs/dbraw/zinc/33/76/65/454337665.db2.gz PEYOFPJOLXLTBI-UHFFFAOYSA-N 1 2 325.412 3.257 40 0 EGABLO Cc1cccc2[nH+]c(CSCC3(CS(C)(=O)=O)CCC3)cn21 ZINC000096501510 454372285 /nfs/dbraw/zinc/37/22/85/454372285.db2.gz INZQDIUTIFQRCR-UHFFFAOYSA-N 1 2 338.498 3.091 40 0 EGABLO Cn1cc[nH+]c1CCNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000123921398 454688395 /nfs/dbraw/zinc/68/83/95/454688395.db2.gz BQHGNZDFXMVSJH-UHFFFAOYSA-N 1 2 331.725 3.065 40 0 EGABLO FC(F)SCc1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)o1 ZINC000245343975 455282496 /nfs/dbraw/zinc/28/24/96/455282496.db2.gz WRLXGRCNBDGAAY-ZIAGYGMSSA-N 1 2 333.400 3.115 40 0 EGABLO FC(F)SCc1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)o1 ZINC000245343975 455282498 /nfs/dbraw/zinc/28/24/98/455282498.db2.gz WRLXGRCNBDGAAY-ZIAGYGMSSA-N 1 2 333.400 3.115 40 0 EGABLO CN(C)C(=O)C[C@H]1C[N@H+](Cc2cccc3ccccc32)Cc2ccnn21 ZINC000247956960 455660137 /nfs/dbraw/zinc/66/01/37/455660137.db2.gz DEURSJWGBMCATB-IBGZPJMESA-N 1 2 348.450 3.072 40 0 EGABLO CN(C)C(=O)C[C@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2ccnn21 ZINC000247956960 455660144 /nfs/dbraw/zinc/66/01/44/455660144.db2.gz DEURSJWGBMCATB-IBGZPJMESA-N 1 2 348.450 3.072 40 0 EGABLO CCCOc1cccc2c(N3CCC(CC(=O)NC)CC3)cc[nH+]c12 ZINC000194723036 455877126 /nfs/dbraw/zinc/87/71/26/455877126.db2.gz OAWRUBSHUFHSEZ-UHFFFAOYSA-N 1 2 341.455 3.376 40 0 EGABLO Cc1cc(N2CCC[C@@](C)(C(=O)Nc3cccc(F)c3)C2)nc[nH+]1 ZINC000257242645 455879976 /nfs/dbraw/zinc/87/99/76/455879976.db2.gz IDLMHYRCGZGJMT-GOSISDBHSA-N 1 2 328.391 3.169 40 0 EGABLO CO[C@@H]1CC[C@H]2N(C(=O)Cn3c(C)[nH+]c4ccccc43)CC[C@@]2(C)C1 ZINC000257281305 455881932 /nfs/dbraw/zinc/88/19/32/455881932.db2.gz OOOCXDIRWVVPMY-ZTNFWEORSA-N 1 2 341.455 3.151 40 0 EGABLO CNc1cc([C@@H]2CCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)cc[nH+]1 ZINC000257298885 455885035 /nfs/dbraw/zinc/88/50/35/455885035.db2.gz RNQMJVVAGOLVGM-AWEZNQCLSA-N 1 2 327.432 3.121 40 0 EGABLO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+]1Cc1ccccc1Cl ZINC000257316289 455890984 /nfs/dbraw/zinc/89/09/84/455890984.db2.gz VEYKVTDFRWQKAX-OAHLLOKOSA-N 1 2 332.835 3.102 40 0 EGABLO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+]1Cc1ccccc1Cl ZINC000257316289 455890990 /nfs/dbraw/zinc/89/09/90/455890990.db2.gz VEYKVTDFRWQKAX-OAHLLOKOSA-N 1 2 332.835 3.102 40 0 EGABLO Cc1c[nH]c([C@H]2COCCN2Cc2[nH]c3ccc(F)cc3c2C)[nH+]1 ZINC000257330554 455893273 /nfs/dbraw/zinc/89/32/73/455893273.db2.gz XOWVJUKXABZPEO-QGZVFWFLSA-N 1 2 328.391 3.220 40 0 EGABLO O=C(O[C@H]1CCOc2cc(F)ccc21)c1ccc(-n2cc[nH+]c2)nc1 ZINC000195576433 455986820 /nfs/dbraw/zinc/98/68/20/455986820.db2.gz UNFRHEXXVWXGMZ-HNNXBMFYSA-N 1 2 339.326 3.087 40 0 EGABLO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCn1cc[nH+]c1 ZINC000223519969 456057877 /nfs/dbraw/zinc/05/78/77/456057877.db2.gz OFOLBFGVPGBBHU-LJQANCHMSA-N 1 2 341.455 3.126 40 0 EGABLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccccc2OC2CC2)CC1(C)C ZINC000297680952 456275231 /nfs/dbraw/zinc/27/52/31/456275231.db2.gz HUIXSYIZZVSJMG-MRXNPFEDSA-N 1 2 325.412 3.185 40 0 EGABLO COc1cccc([C@@H]2C[C@H](O)CN2c2[nH+]c3cccc(F)c3n2C)c1 ZINC000669662425 461757159 /nfs/dbraw/zinc/75/71/59/461757159.db2.gz RDVHAGDOTPITKE-GUYCJALGSA-N 1 2 341.386 3.033 40 0 EGABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc32)cc[nH+]1 ZINC000257238665 536145650 /nfs/dbraw/zinc/14/56/50/536145650.db2.gz HLZIUXQXDMYQLA-INIZCTEOSA-N 1 2 335.411 3.001 40 0 EGABLO c1csc(Nc2nccc([C@@H]3CCC[N@H+]3Cc3ccccn3)n2)n1 ZINC000072377656 216179200 /nfs/dbraw/zinc/17/92/00/216179200.db2.gz CRXVQDGETVXVJR-HNNXBMFYSA-N 1 2 338.440 3.409 40 0 EGABLO c1csc(Nc2nccc([C@@H]3CCC[N@@H+]3Cc3ccccn3)n2)n1 ZINC000072377656 216179204 /nfs/dbraw/zinc/17/92/04/216179204.db2.gz CRXVQDGETVXVJR-HNNXBMFYSA-N 1 2 338.440 3.409 40 0 EGABLO CCO[C@@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)nc1)C1=CCCC1 ZINC000073010693 216340262 /nfs/dbraw/zinc/34/02/62/216340262.db2.gz YPJUVFDETNJWOT-INIZCTEOSA-N 1 2 326.400 3.111 40 0 EGABLO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000023230695 212362260 /nfs/dbraw/zinc/36/22/60/212362260.db2.gz LKESYTWSCKOIMC-MXWKQRLJSA-N 1 2 331.243 3.430 40 0 EGABLO COC(=O)[C@@H](c1cccc(Cl)c1Cl)[N@H+](C)C[C@@H]1CCOC1 ZINC000195557823 241007928 /nfs/dbraw/zinc/00/79/28/241007928.db2.gz XOSQDPYYUPBOLQ-IINYFYTJSA-N 1 2 332.227 3.176 40 0 EGABLO COC(=O)[C@@H](c1cccc(Cl)c1Cl)[N@@H+](C)C[C@@H]1CCOC1 ZINC000195557823 241007934 /nfs/dbraw/zinc/00/79/34/241007934.db2.gz XOSQDPYYUPBOLQ-IINYFYTJSA-N 1 2 332.227 3.176 40 0 EGABLO C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000216319252 241184496 /nfs/dbraw/zinc/18/44/96/241184496.db2.gz CQFCTOCUIKZMLA-CQSZACIVSA-N 1 2 339.370 3.095 40 0 EGABLO COc1cccc(-c2cnc(C[N@@H+]3CCCC[C@@H]3C3OCCO3)o2)c1 ZINC000075713008 216653077 /nfs/dbraw/zinc/65/30/77/216653077.db2.gz GMGYWWRUPJHUSO-MRXNPFEDSA-N 1 2 344.411 3.078 40 0 EGABLO COc1cccc(-c2cnc(C[N@H+]3CCCC[C@@H]3C3OCCO3)o2)c1 ZINC000075713008 216653079 /nfs/dbraw/zinc/65/30/79/216653079.db2.gz GMGYWWRUPJHUSO-MRXNPFEDSA-N 1 2 344.411 3.078 40 0 EGABLO Cc1cc(CC2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)cc[nH+]1 ZINC000257225493 244197522 /nfs/dbraw/zinc/19/75/22/244197522.db2.gz FGMJQGZESVLLGN-UHFFFAOYSA-N 1 2 334.423 3.361 40 0 EGABLO CCc1noc(C)c1C(=O)N1CCC[C@@H](c2cc[nH+]c(NC)c2)C1 ZINC000257255579 244281974 /nfs/dbraw/zinc/28/19/74/244281974.db2.gz KIALXFUUGFTNDF-CQSZACIVSA-N 1 2 328.416 3.002 40 0 EGABLO CC(C)c1ncc(C(=O)N2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)cn1 ZINC000257269307 244371288 /nfs/dbraw/zinc/37/12/88/244371288.db2.gz MPKNICYCVDCRBJ-QGZVFWFLSA-N 1 2 347.422 3.194 40 0 EGABLO Cc1nc([C@H](Cc2ccsc2)NC(=O)Cn2cc[nH+]c2)sc1C ZINC000019559797 212042068 /nfs/dbraw/zinc/04/20/68/212042068.db2.gz JXAUJWWUFKCJDM-AWEZNQCLSA-N 1 2 346.481 3.118 40 0 EGABLO C[C@@H](CC(=O)N1CCC(c2cc3ncccc3cn2)CC1)n1cc[nH+]c1 ZINC000019455128 212029847 /nfs/dbraw/zinc/02/98/47/212029847.db2.gz QJAAGYRHPHRRLY-HNNXBMFYSA-N 1 2 349.438 3.184 40 0 EGABLO O=C(CCCn1cc[nH+]c1)NCC1(c2cccc(F)c2)CCCC1 ZINC000019293640 212013237 /nfs/dbraw/zinc/01/32/37/212013237.db2.gz AJUUIBWFHULIQQ-UHFFFAOYSA-N 1 2 329.419 3.431 40 0 EGABLO COC(=O)[C@@H](CC(C)C)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000078673802 217099119 /nfs/dbraw/zinc/09/91/19/217099119.db2.gz DFWHDEACDLPYAW-QGZVFWFLSA-N 1 2 342.395 3.191 40 0 EGABLO CCc1cccc2c(CC(=O)N[C@@H]3CCC[C@H]3n3cc[nH+]c3)c[nH]c21 ZINC000078769290 217115933 /nfs/dbraw/zinc/11/59/33/217115933.db2.gz JJCQBUXNZLQFNC-QZTJIDSGSA-N 1 2 336.439 3.379 40 0 EGABLO CC(C)Nc1cc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nc[nH+]1 ZINC000079439862 217225300 /nfs/dbraw/zinc/22/53/00/217225300.db2.gz ULTKKJQJJFOZJU-CQSZACIVSA-N 1 2 349.479 3.133 40 0 EGABLO CC(C)Nc1cc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)[nH+]cn1 ZINC000079439862 217225302 /nfs/dbraw/zinc/22/53/02/217225302.db2.gz ULTKKJQJJFOZJU-CQSZACIVSA-N 1 2 349.479 3.133 40 0 EGABLO CCC(CC)c1cc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)on1 ZINC000080463892 217306130 /nfs/dbraw/zinc/30/61/30/217306130.db2.gz PMHKXZNKOXHWEF-AWEZNQCLSA-N 1 2 345.447 3.391 40 0 EGABLO O=C(C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1ccccc1 ZINC000004966636 210341505 /nfs/dbraw/zinc/34/15/05/210341505.db2.gz ADKLHCXOGQUAEH-UHFFFAOYSA-N 1 2 340.398 3.359 40 0 EGABLO CC(C)N1c2ccccc2[C@@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635207 279557451 /nfs/dbraw/zinc/55/74/51/279557451.db2.gz AYURPZJAULEITM-NRFANRHFSA-N 1 2 331.419 3.312 40 0 EGABLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ncnn1CCF ZINC000242048165 295391620 /nfs/dbraw/zinc/39/16/20/295391620.db2.gz VTKBWWXJRYULKQ-HOCLYGCPSA-N 1 2 332.423 3.229 40 0 EGABLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cc1ncnn1CCF ZINC000242048165 295391622 /nfs/dbraw/zinc/39/16/22/295391622.db2.gz VTKBWWXJRYULKQ-HOCLYGCPSA-N 1 2 332.423 3.229 40 0 EGABLO Cc1cc(NCc2cn3c(cccc3C)[nH+]2)nc(-c2cccnc2)n1 ZINC000301210073 308691957 /nfs/dbraw/zinc/69/19/57/308691957.db2.gz UDHPTZISOBMVOD-UHFFFAOYSA-N 1 2 330.395 3.415 40 0 EGABLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ncnn2-c2ccccc2)o1 ZINC000239352201 455260901 /nfs/dbraw/zinc/26/09/01/455260901.db2.gz ABOJEJVUQIZZMQ-KRWDZBQOSA-N 1 2 338.411 3.344 40 0 EGABLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ncnn2-c2ccccc2)o1 ZINC000239352201 455260903 /nfs/dbraw/zinc/26/09/03/455260903.db2.gz ABOJEJVUQIZZMQ-KRWDZBQOSA-N 1 2 338.411 3.344 40 0 EGABLO COc1cccc(NC(=S)NC2=[NH+]N(c3ccccc3)CC2)c1 ZINC000007560127 453087396 /nfs/dbraw/zinc/08/73/96/453087396.db2.gz UTQYEOUNTHTVHG-UHFFFAOYSA-N 1 2 326.425 3.205 40 0 EGABLO Clc1ccc(-n2nnnc2SCc2cn3ccccc3[nH+]2)cc1 ZINC000012551753 453373629 /nfs/dbraw/zinc/37/36/29/453373629.db2.gz LBZLEZODNFSLCK-UHFFFAOYSA-N 1 2 342.815 3.256 40 0 EGABLO Cc1cc(C)cc(-n2ncc3c2nc[nH+]c3N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016837791 453623653 /nfs/dbraw/zinc/62/36/53/453623653.db2.gz UMYBWDGLMVUXSZ-GASCZTMLSA-N 1 2 337.427 3.046 40 0 EGABLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(-c2nnco2)c1 ZINC000024736204 453744605 /nfs/dbraw/zinc/74/46/05/453744605.db2.gz DKERYWXKQQXNNG-UHFFFAOYSA-N 1 2 347.378 3.287 40 0 EGABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N(Cc1ccco1)Cc1ccco1 ZINC000025088232 453758342 /nfs/dbraw/zinc/75/83/42/453758342.db2.gz UBCMMVURIDNGBM-UHFFFAOYSA-N 1 2 348.362 3.296 40 0 EGABLO Cn1cc[nH+]c1CNC(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000083719361 453957422 /nfs/dbraw/zinc/95/74/22/453957422.db2.gz OZGAYJCNWZDIIB-UHFFFAOYSA-N 1 2 348.397 3.353 40 0 EGABLO CCOc1cc([C@@H]([NH3+])c2nnc(-c3cccc(F)c3)[nH]2)ccc1OC ZINC000095534461 454230429 /nfs/dbraw/zinc/23/04/29/454230429.db2.gz MWAXNVSTPCCVEX-MRXNPFEDSA-N 1 2 342.374 3.066 40 0 EGABLO CCOc1cc([C@@H]([NH3+])c2n[nH]c(-c3cccc(F)c3)n2)ccc1OC ZINC000095534461 454230431 /nfs/dbraw/zinc/23/04/31/454230431.db2.gz MWAXNVSTPCCVEX-MRXNPFEDSA-N 1 2 342.374 3.066 40 0 EGABLO Fc1cccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC000096041734 454267175 /nfs/dbraw/zinc/26/71/75/454267175.db2.gz WJJBWQVUDOAEAX-XUVXKRRUSA-N 1 2 342.414 3.169 40 0 EGABLO Fc1cccc(C[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC000096041734 454267179 /nfs/dbraw/zinc/26/71/79/454267179.db2.gz WJJBWQVUDOAEAX-XUVXKRRUSA-N 1 2 342.414 3.169 40 0 EGABLO COC[C@@H]1CN(C(=O)c2ccc(C)s2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045108 454268318 /nfs/dbraw/zinc/26/83/18/454268318.db2.gz PRUAPDAFCHNYIA-AWEZNQCLSA-N 1 2 345.468 3.049 40 0 EGABLO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccs1 ZINC000096058057 454274425 /nfs/dbraw/zinc/27/44/25/454274425.db2.gz KAQNRTSPBPOIGZ-ARFHVFGLSA-N 1 2 334.416 3.093 40 0 EGABLO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccs1 ZINC000096058057 454274429 /nfs/dbraw/zinc/27/44/29/454274429.db2.gz KAQNRTSPBPOIGZ-ARFHVFGLSA-N 1 2 334.416 3.093 40 0 EGABLO Fc1ccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)cc1 ZINC000096057969 454275277 /nfs/dbraw/zinc/27/52/77/454275277.db2.gz QHBQHFPGPNUROJ-IPMKNSEASA-N 1 2 328.387 3.032 40 0 EGABLO Fc1ccc(C[N@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)cc1 ZINC000096057969 454275285 /nfs/dbraw/zinc/27/52/85/454275285.db2.gz QHBQHFPGPNUROJ-IPMKNSEASA-N 1 2 328.387 3.032 40 0 EGABLO Cc1cc([C@@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]c1N1CCOCC1 ZINC000072219337 454275612 /nfs/dbraw/zinc/27/56/12/454275612.db2.gz YKFSZJSGWFORLQ-INIZCTEOSA-N 1 2 347.459 3.299 40 0 EGABLO c1coc(C[N@H+]2CCc3c(COCc4ccncc4)cncc3C2)c1 ZINC000096059323 454277176 /nfs/dbraw/zinc/27/71/76/454277176.db2.gz RDGKKGBUIOHHAE-UHFFFAOYSA-N 1 2 335.407 3.345 40 0 EGABLO c1coc(C[N@@H+]2CCc3c(COCc4ccncc4)cncc3C2)c1 ZINC000096059323 454277180 /nfs/dbraw/zinc/27/71/80/454277180.db2.gz RDGKKGBUIOHHAE-UHFFFAOYSA-N 1 2 335.407 3.345 40 0 EGABLO Cc1cc(C[N@@H+]2CCc3cnn(C)c3[C@H]2COCC2CC2)oc1C ZINC000096197806 454301606 /nfs/dbraw/zinc/30/16/06/454301606.db2.gz NEOKLHIHZPXCTI-GOSISDBHSA-N 1 2 329.444 3.156 40 0 EGABLO Cc1cc(C[N@H+]2CCc3cnn(C)c3[C@H]2COCC2CC2)oc1C ZINC000096197806 454301612 /nfs/dbraw/zinc/30/16/12/454301612.db2.gz NEOKLHIHZPXCTI-GOSISDBHSA-N 1 2 329.444 3.156 40 0 EGABLO CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CCN(Cc1ccsc1)C2 ZINC000096254160 454312660 /nfs/dbraw/zinc/31/26/60/454312660.db2.gz ZINIPIXRCJCUCJ-UHFFFAOYSA-N 1 2 343.500 3.491 40 0 EGABLO CC(C)Nc1nc2c(c(NC3CC3)n1)C[N@H+](Cc1ccsc1)CC2 ZINC000096254160 454312666 /nfs/dbraw/zinc/31/26/66/454312666.db2.gz ZINIPIXRCJCUCJ-UHFFFAOYSA-N 1 2 343.500 3.491 40 0 EGABLO CC(C)Nc1nc2c(c(NC3CC3)n1)C[N@@H+](Cc1ccsc1)CC2 ZINC000096254160 454312673 /nfs/dbraw/zinc/31/26/73/454312673.db2.gz ZINIPIXRCJCUCJ-UHFFFAOYSA-N 1 2 343.500 3.491 40 0 EGABLO FC(F)SCc1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)o1 ZINC000091928170 454490209 /nfs/dbraw/zinc/49/02/09/454490209.db2.gz WRLXGRCNBDGAAY-UONOGXRCSA-N 1 2 333.400 3.115 40 0 EGABLO FC(F)SCc1ccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)o1 ZINC000091928170 454490215 /nfs/dbraw/zinc/49/02/15/454490215.db2.gz WRLXGRCNBDGAAY-UONOGXRCSA-N 1 2 333.400 3.115 40 0 EGABLO O[C@@H](c1nccn1Cc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000154815692 454932273 /nfs/dbraw/zinc/93/22/73/454932273.db2.gz RAKMRVXHMQTEKJ-HXUWFJFHSA-N 1 2 344.418 3.258 40 0 EGABLO O=C(CSC[C@H]1CCCCO1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000170762098 454971470 /nfs/dbraw/zinc/97/14/70/454971470.db2.gz CKVLWKLQKKKAGO-CQSZACIVSA-N 1 2 349.431 3.252 40 0 EGABLO Cc1ccc(NC(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)c(C)[nH+]1 ZINC000152176537 455082439 /nfs/dbraw/zinc/08/24/39/455082439.db2.gz SLXSCNQCMFFVED-CQSZACIVSA-N 1 2 329.404 3.478 40 0 EGABLO CCC[C@H]([NH2+][C@@H](C)c1cn[nH]c1C)C(=O)N1CCc2sccc2C1 ZINC000180407198 455164872 /nfs/dbraw/zinc/16/48/72/455164872.db2.gz BCMQNJNIUNOMKN-LRDDRELGSA-N 1 2 346.500 3.184 40 0 EGABLO Fc1ccc(F)c(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c1 ZINC000172867080 455199054 /nfs/dbraw/zinc/19/90/54/455199054.db2.gz BADZZWDZXAKTBR-UHFFFAOYSA-N 1 2 346.406 3.292 40 0 EGABLO O=C(/C=C/c1cccs1)NC[C@@H](c1ccoc1)[NH+]1CCSCC1 ZINC000245171795 455279421 /nfs/dbraw/zinc/27/94/21/455279421.db2.gz XVNYOROUWPGBFE-INIZCTEOSA-N 1 2 348.493 3.261 40 0 EGABLO FC(F)SCc1ccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)o1 ZINC000245343974 455282430 /nfs/dbraw/zinc/28/24/30/455282430.db2.gz WRLXGRCNBDGAAY-KGLIPLIRSA-N 1 2 333.400 3.115 40 0 EGABLO FC(F)SCc1ccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)o1 ZINC000245343974 455282433 /nfs/dbraw/zinc/28/24/33/455282433.db2.gz WRLXGRCNBDGAAY-KGLIPLIRSA-N 1 2 333.400 3.115 40 0 EGABLO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccon3)CC2)no1 ZINC000192341814 455593071 /nfs/dbraw/zinc/59/30/71/455593071.db2.gz GUWPSVHGKSGYIT-UHFFFAOYSA-N 1 2 340.383 3.113 40 0 EGABLO c1cc2n(n1)[C@H](CCOc1cccnc1)C[N@H+](Cc1ccsc1)C2 ZINC000247957032 455660255 /nfs/dbraw/zinc/66/02/55/455660255.db2.gz MOIWCOPCYRWXJH-QGZVFWFLSA-N 1 2 340.452 3.366 40 0 EGABLO c1cc2n(n1)[C@H](CCOc1cccnc1)C[N@@H+](Cc1ccsc1)C2 ZINC000247957032 455660261 /nfs/dbraw/zinc/66/02/61/455660261.db2.gz MOIWCOPCYRWXJH-QGZVFWFLSA-N 1 2 340.452 3.366 40 0 EGABLO c1cc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CCO3)cs1 ZINC000247974839 455663010 /nfs/dbraw/zinc/66/30/10/455663010.db2.gz USRJQXQEGPUDRE-KRWDZBQOSA-N 1 2 330.453 3.093 40 0 EGABLO Cc1ccccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000253407619 455840308 /nfs/dbraw/zinc/84/03/08/455840308.db2.gz WRNTVJWZMNVUBL-INIZCTEOSA-N 1 2 330.453 3.108 40 0 EGABLO COc1cccc(NC(=O)[C@@]2(C)CCCN(c3cc(C)[nH+]cn3)C2)c1 ZINC000257286213 455882639 /nfs/dbraw/zinc/88/26/39/455882639.db2.gz PKSXUXCPHGQYGF-IBGZPJMESA-N 1 2 340.427 3.039 40 0 EGABLO c1nc(C[N@@H+]2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)c[nH]1 ZINC000257286812 455883036 /nfs/dbraw/zinc/88/30/36/455883036.db2.gz PNDQXDRNSOSPMZ-HNNXBMFYSA-N 1 2 335.411 3.372 40 0 EGABLO c1nc(C[N@H+]2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)c[nH]1 ZINC000257286812 455883041 /nfs/dbraw/zinc/88/30/41/455883041.db2.gz PNDQXDRNSOSPMZ-HNNXBMFYSA-N 1 2 335.411 3.372 40 0 EGABLO c1ncc(C[N@@H+]2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)[nH]1 ZINC000257286812 455883042 /nfs/dbraw/zinc/88/30/42/455883042.db2.gz PNDQXDRNSOSPMZ-HNNXBMFYSA-N 1 2 335.411 3.372 40 0 EGABLO c1ncc(C[N@H+]2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)[nH]1 ZINC000257286812 455883046 /nfs/dbraw/zinc/88/30/46/455883046.db2.gz PNDQXDRNSOSPMZ-HNNXBMFYSA-N 1 2 335.411 3.372 40 0 EGABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1Cc1nccs1 ZINC000257302946 455887000 /nfs/dbraw/zinc/88/70/00/455887000.db2.gz SFBWAMZUNZXTQH-CQSZACIVSA-N 1 2 326.425 3.105 40 0 EGABLO Cc1cc(N2CCC[C@](C)(C(=O)Nc3ccccc3F)C2)nc[nH+]1 ZINC000257337398 455893841 /nfs/dbraw/zinc/89/38/41/455893841.db2.gz YSPWRQPMMFGPCG-SFHVURJKSA-N 1 2 328.391 3.169 40 0 EGABLO Cc1onc(C(C)C)c1C(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257343784 455895390 /nfs/dbraw/zinc/89/53/90/455895390.db2.gz ZUKBFJHECNKSKY-OAHLLOKOSA-N 1 2 342.443 3.242 40 0 EGABLO O=C(N[C@@H]1CCC[C@H]1n1cc[nH+]c1)[C@@H]1SCCc2ccccc21 ZINC000195531102 455981606 /nfs/dbraw/zinc/98/16/06/455981606.db2.gz ZDUIWJIVOOBYSN-BRWVUGGUSA-N 1 2 327.453 3.124 40 0 EGABLO Cc1cc(CNC(=O)Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)on1 ZINC000272637629 456021812 /nfs/dbraw/zinc/02/18/12/456021812.db2.gz CRUPRXKMBRYKFV-CQSZACIVSA-N 1 2 343.431 3.387 40 0 EGABLO CCCC[C@@H](CC)CNC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000223413691 456056481 /nfs/dbraw/zinc/05/64/81/456056481.db2.gz IMKQNKUOPYOMMF-QGZVFWFLSA-N 1 2 332.488 3.465 40 0 EGABLO CCOc1ccc(CNC(=S)Nc2cc[nH+]cc2)cc1OCC ZINC000225529711 456091126 /nfs/dbraw/zinc/09/11/26/456091126.db2.gz JUGRGXUDGISYPN-UHFFFAOYSA-N 1 2 331.441 3.366 40 0 EGABLO CC(C)c1ncncc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000298635967 456506971 /nfs/dbraw/zinc/50/69/71/456506971.db2.gz IKPXHNZJGQBLIA-UHFFFAOYSA-N 1 2 345.472 3.295 40 0 EGABLO Cn1ccc2c1C[N@H+](CC1CC1)Cc1cn(Cc3ccccn3)nc1-2 ZINC000306142226 456568212 /nfs/dbraw/zinc/56/82/12/456568212.db2.gz WTTGZISGKUXMLI-UHFFFAOYSA-N 1 2 333.439 3.058 40 0 EGABLO Cn1ccc2c1C[N@@H+](CC1CC1)Cc1cn(Cc3ccccn3)nc1-2 ZINC000306142226 456568214 /nfs/dbraw/zinc/56/82/14/456568214.db2.gz WTTGZISGKUXMLI-UHFFFAOYSA-N 1 2 333.439 3.058 40 0 EGABLO CSc1ccccc1C(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575607467 459981679 /nfs/dbraw/zinc/98/16/79/459981679.db2.gz UHYCYVXEKVXOQI-OAHLLOKOSA-N 1 2 328.437 3.487 40 0 EGABLO c1csc(C[N@@H+]2Cc3ccnn3[C@H](CCOc3cccnc3)C2)c1 ZINC000306131710 547460531 /nfs/dbraw/zinc/46/05/31/547460531.db2.gz KNLFZWUXGQJXSF-MRXNPFEDSA-N 1 2 340.452 3.366 40 0 EGABLO c1csc(C[N@H+]2Cc3ccnn3[C@H](CCOc3cccnc3)C2)c1 ZINC000306131710 547460542 /nfs/dbraw/zinc/46/05/42/547460542.db2.gz KNLFZWUXGQJXSF-MRXNPFEDSA-N 1 2 340.452 3.366 40 0 EGABLO CCCc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccc(C)cc3)CC2)n[nH]1 ZINC000036741151 213116287 /nfs/dbraw/zinc/11/62/87/213116287.db2.gz PFXIOPMLBVZWAN-MRXNPFEDSA-N 1 2 340.471 3.190 40 0 EGABLO CCc1ccc(OCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)cc1 ZINC000032667922 212824451 /nfs/dbraw/zinc/82/44/51/212824451.db2.gz ZJTHDZCJPXTXEZ-UHFFFAOYSA-N 1 2 345.468 3.319 40 0 EGABLO Cn1cc[nH+]c1CN1CCC[C@@H]1c1cncc(Oc2ccccc2)n1 ZINC000072384206 216185613 /nfs/dbraw/zinc/18/56/13/216185613.db2.gz YMWBZOUHIFHRII-QGZVFWFLSA-N 1 2 335.411 3.340 40 0 EGABLO Cc1nc(NCc2ccccc2)cc([C@H]2CCN2Cc2ccnn2C)[nH+]1 ZINC000072387506 216186534 /nfs/dbraw/zinc/18/65/34/216186534.db2.gz UMIOZACINFKRKL-LJQANCHMSA-N 1 2 348.454 3.078 40 0 EGABLO C[C@H](C(=O)NCc1cc(Cl)ccc1OC(F)F)n1cc[nH+]c1 ZINC000073363691 216381618 /nfs/dbraw/zinc/38/16/18/216381618.db2.gz VZUGXPSFVQGLMH-SECBINFHSA-N 1 2 329.734 3.015 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)cc[nH+]1 ZINC000257212732 244157536 /nfs/dbraw/zinc/15/75/36/244157536.db2.gz CERRNLPNUHANNZ-CQSZACIVSA-N 1 2 328.416 3.255 40 0 EGABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccc3[nH]c(C)nc3c2)cc[nH+]1 ZINC000257244640 244252255 /nfs/dbraw/zinc/25/22/55/244252255.db2.gz IMENWKBUJDBQAE-KRWDZBQOSA-N 1 2 335.411 3.285 40 0 EGABLO c1c[nH+]c(CN2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)[nH]1 ZINC000257238126 244235928 /nfs/dbraw/zinc/23/59/28/244235928.db2.gz HJRNHTOBZZNFPJ-CYBMUJFWSA-N 1 2 341.444 3.127 40 0 EGABLO CCOc1ncccc1C(=O)N1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257241154 244244336 /nfs/dbraw/zinc/24/43/36/244244336.db2.gz HWUWBIQPTSKZME-UHFFFAOYSA-N 1 2 339.439 3.279 40 0 EGABLO O=C(c1noc2c1CCCC2)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257264598 244357675 /nfs/dbraw/zinc/35/76/75/244357675.db2.gz LVEBWGYIGGFZOU-MRXNPFEDSA-N 1 2 348.406 3.147 40 0 EGABLO Fc1cccc(C[N@@H+]2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000019374361 212024368 /nfs/dbraw/zinc/02/43/68/212024368.db2.gz MOBYCGDDCLARIR-QGZVFWFLSA-N 1 2 339.370 3.449 40 0 EGABLO Fc1cccc(C[N@H+]2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000019374361 212024369 /nfs/dbraw/zinc/02/43/69/212024369.db2.gz MOBYCGDDCLARIR-QGZVFWFLSA-N 1 2 339.370 3.449 40 0 EGABLO O=C(CCCn1cc[nH+]c1)N[C@@H](Cc1cccs1)c1nccs1 ZINC000019343291 212018706 /nfs/dbraw/zinc/01/87/06/212018706.db2.gz QKQPAMUGXIRFPL-AWEZNQCLSA-N 1 2 346.481 3.282 40 0 EGABLO Cc1[nH+]c(C2CCN(C(=O)c3cccnc3)CC2)c2sccn12 ZINC000019240817 212008366 /nfs/dbraw/zinc/00/83/66/212008366.db2.gz LLLBZYBLRZQNCB-UHFFFAOYSA-N 1 2 326.425 3.119 40 0 EGABLO C[C@@H]1CN(c2cc(CNc3ncc(Cl)cc3F)cc[nH+]2)CCO1 ZINC000079302118 217206086 /nfs/dbraw/zinc/20/60/86/217206086.db2.gz KZKOLVOOYZHOKL-LLVKDONJSA-N 1 2 336.798 3.106 40 0 EGABLO COc1ccc(CN(Cc2c[nH+]c[nH]2)Cc2ccco2)c(OC)c1 ZINC000012116753 211295735 /nfs/dbraw/zinc/29/57/35/211295735.db2.gz QHBWXHDUGNEAHT-UHFFFAOYSA-N 1 2 327.384 3.222 40 0 EGABLO COc1ccc(CN(Cc2c[nH]c[nH+]2)Cc2ccco2)c(OC)c1 ZINC000012116753 211295741 /nfs/dbraw/zinc/29/57/41/211295741.db2.gz QHBWXHDUGNEAHT-UHFFFAOYSA-N 1 2 327.384 3.222 40 0 EGABLO COc1ccc(OC)c(CN(Cc2ccco2)Cc2[nH]cc[nH+]2)c1 ZINC000012147064 211306444 /nfs/dbraw/zinc/30/64/44/211306444.db2.gz DOFAPLLEXOXASH-UHFFFAOYSA-N 1 2 327.384 3.222 40 0 EGABLO O=C(CCCn1cc[nH+]c1)N[C@@H](Cc1ccsc1)c1cccnc1 ZINC000012087903 211290046 /nfs/dbraw/zinc/29/00/46/211290046.db2.gz AUIVEECJKOGGFO-KRWDZBQOSA-N 1 2 340.452 3.220 40 0 EGABLO O=C(NC1CC[NH+](Cc2cscn2)CC1)c1cccc2[nH]ccc21 ZINC000095406168 218342372 /nfs/dbraw/zinc/34/23/72/218342372.db2.gz AUCAHBDFXHHDQV-UHFFFAOYSA-N 1 2 340.452 3.019 40 0 EGABLO C[C@@H](C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000096407606 286757357 /nfs/dbraw/zinc/75/73/57/286757357.db2.gz SPMMPVKAUCXRAA-SWLSCSKDSA-N 1 2 335.860 3.414 40 0 EGABLO CN(C)c1nc(Nc2ccc(Cl)c(Cl)c2)nc(N(C)C)[nH+]1 ZINC000000243654 452545142 /nfs/dbraw/zinc/54/51/42/452545142.db2.gz AMBGYJYZJKGTBS-UHFFFAOYSA-N 1 2 327.219 3.054 40 0 EGABLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000180847510 455255310 /nfs/dbraw/zinc/25/53/10/455255310.db2.gz ZVKMZVYRPYPLMF-ACJLOTCBSA-N 1 2 348.878 3.096 40 0 EGABLO C=Cn1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)cn1 ZINC000239475350 455261897 /nfs/dbraw/zinc/26/18/97/455261897.db2.gz ANOWNOMOUAHAEE-XJKSGUPXSA-N 1 2 337.345 3.310 40 0 EGABLO C=Cn1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)cn1 ZINC000239475350 455261898 /nfs/dbraw/zinc/26/18/98/455261898.db2.gz ANOWNOMOUAHAEE-XJKSGUPXSA-N 1 2 337.345 3.310 40 0 EGABLO O=C(NCCc1cc2ccccc2o1)C1CC[NH+](CC(F)F)CC1 ZINC000240412623 455263504 /nfs/dbraw/zinc/26/35/04/455263504.db2.gz FNKWVFIESMEBAQ-UHFFFAOYSA-N 1 2 336.382 3.069 40 0 EGABLO C[C@H](C[N@H+](C)Cc1ncnn1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190361097 455302479 /nfs/dbraw/zinc/30/24/79/455302479.db2.gz RSGQWUYBTRWECG-SNVBAGLBSA-N 1 2 329.231 3.021 40 0 EGABLO C[C@H](C[N@@H+](C)Cc1ncnn1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190361097 455302482 /nfs/dbraw/zinc/30/24/82/455302482.db2.gz RSGQWUYBTRWECG-SNVBAGLBSA-N 1 2 329.231 3.021 40 0 EGABLO COc1cc(NC(=O)C[N@H+](C)Cc2ccccc2Cl)cc(OC)c1 ZINC000003349822 452759703 /nfs/dbraw/zinc/75/97/03/452759703.db2.gz AXWUHQSBINEROS-UHFFFAOYSA-N 1 2 348.830 3.428 40 0 EGABLO COc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2Cl)cc(OC)c1 ZINC000003349822 452759712 /nfs/dbraw/zinc/75/97/12/452759712.db2.gz AXWUHQSBINEROS-UHFFFAOYSA-N 1 2 348.830 3.428 40 0 EGABLO COc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC000006553251 452953792 /nfs/dbraw/zinc/95/37/92/452953792.db2.gz RQFHGGKNUNXWEH-UHFFFAOYSA-N 1 2 346.452 3.486 40 0 EGABLO Cc1cccc(C)c1OCCn1c2ccccc2[nH+]c1NCCO ZINC000012540418 453369006 /nfs/dbraw/zinc/36/90/06/453369006.db2.gz KXPKPYXZBWUUFE-UHFFFAOYSA-N 1 2 325.412 3.136 40 0 EGABLO O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)[N@H+](Cc2cccs2)C1 ZINC000015674642 453582128 /nfs/dbraw/zinc/58/21/28/453582128.db2.gz WXKDYTRCVSLXQX-ZBFHGGJFSA-N 1 2 341.436 3.030 40 0 biogenic,in-vitro EGABLO O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)[N@@H+](Cc2cccs2)C1 ZINC000015674642 453582131 /nfs/dbraw/zinc/58/21/31/453582131.db2.gz WXKDYTRCVSLXQX-ZBFHGGJFSA-N 1 2 341.436 3.030 40 0 biogenic,in-vitro EGABLO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1cc(-c2ccco2)on1 ZINC000025178434 453760869 /nfs/dbraw/zinc/76/08/69/453760869.db2.gz MCQAURNXYGJUCS-UHFFFAOYSA-N 1 2 334.335 3.432 40 0 EGABLO O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028086555 453822165 /nfs/dbraw/zinc/82/21/65/453822165.db2.gz YDZOHHOCYABHST-UHFFFAOYSA-N 1 2 346.434 3.035 40 0 EGABLO Cc1ccc([C@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000030855886 453839453 /nfs/dbraw/zinc/83/94/53/453839453.db2.gz UIBKJGBZIVUGMF-KRWDZBQOSA-N 1 2 338.451 3.318 40 0 EGABLO O=C(Cc1ccc(F)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000075245267 453873245 /nfs/dbraw/zinc/87/32/45/453873245.db2.gz UAVXTWGRFJIRJM-QPJJXVBHSA-N 1 2 338.426 3.226 40 0 EGABLO Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044852981 454122526 /nfs/dbraw/zinc/12/25/26/454122526.db2.gz UANMZFTVYRHLFH-QGZVFWFLSA-N 1 2 349.434 3.437 40 0 EGABLO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000057711524 454142719 /nfs/dbraw/zinc/14/27/19/454142719.db2.gz VERFYWFECGFUJN-INIZCTEOSA-N 1 2 349.906 3.171 40 0 EGABLO COC[C@H]1CN(Cc2ccccc2F)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045097 454267850 /nfs/dbraw/zinc/26/78/50/454267850.db2.gz BFKYDMWJFCDDIB-MRXNPFEDSA-N 1 2 329.419 3.178 40 0 EGABLO COC[C@H]1C[N@H+](Cc2ccccc2F)Cc2ncn(CC3CC3)c21 ZINC000096045097 454267855 /nfs/dbraw/zinc/26/78/55/454267855.db2.gz BFKYDMWJFCDDIB-MRXNPFEDSA-N 1 2 329.419 3.178 40 0 EGABLO COC[C@H]1C[N@@H+](Cc2ccccc2F)Cc2ncn(CC3CC3)c21 ZINC000096045097 454267859 /nfs/dbraw/zinc/26/78/59/454267859.db2.gz BFKYDMWJFCDDIB-MRXNPFEDSA-N 1 2 329.419 3.178 40 0 EGABLO Fc1cccc(N2CCC[C@@]3(C2)C[N@H+](Cc2cccnc2)CCO3)c1 ZINC000096049085 454271063 /nfs/dbraw/zinc/27/10/63/454271063.db2.gz FYSNVCJXRIFMHZ-FQEVSTJZSA-N 1 2 341.430 3.092 40 0 EGABLO Fc1cccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2cccnc2)CCO3)c1 ZINC000096049085 454271069 /nfs/dbraw/zinc/27/10/69/454271069.db2.gz FYSNVCJXRIFMHZ-FQEVSTJZSA-N 1 2 341.430 3.092 40 0 EGABLO CCOC[C@@H]1C[N@H+](Cc2ccc(C)o2)Cc2nn(CC3CC3)cc21 ZINC000096060478 454276216 /nfs/dbraw/zinc/27/62/16/454276216.db2.gz WRFDDXLTIITHQK-INIZCTEOSA-N 1 2 329.444 3.330 40 0 EGABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C)o2)Cc2nn(CC3CC3)cc21 ZINC000096060478 454276224 /nfs/dbraw/zinc/27/62/24/454276224.db2.gz WRFDDXLTIITHQK-INIZCTEOSA-N 1 2 329.444 3.330 40 0 EGABLO CCn1cc2c(n1)C[N@@H+](Cc1cccs1)C[C@H]2COCC1CC1 ZINC000096060417 454276436 /nfs/dbraw/zinc/27/64/36/454276436.db2.gz USHNZWLSVGWLLU-HNNXBMFYSA-N 1 2 331.485 3.491 40 0 EGABLO CCn1cc2c(n1)C[N@H+](Cc1cccs1)C[C@H]2COCC1CC1 ZINC000096060417 454276440 /nfs/dbraw/zinc/27/64/40/454276440.db2.gz USHNZWLSVGWLLU-HNNXBMFYSA-N 1 2 331.485 3.491 40 0 EGABLO COC[C@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2nn(CC3CC3)cc21 ZINC000096060457 454276660 /nfs/dbraw/zinc/27/66/60/454276660.db2.gz VRHLIWKUVRESGK-QGZVFWFLSA-N 1 2 341.455 3.048 40 0 EGABLO COC[C@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2nn(CC3CC3)cc21 ZINC000096060457 454276665 /nfs/dbraw/zinc/27/66/65/454276665.db2.gz VRHLIWKUVRESGK-QGZVFWFLSA-N 1 2 341.455 3.048 40 0 EGABLO O=C(CCCn1cc[nH+]c1)Nc1n[nH]c(-c2cccc3ccccc32)n1 ZINC000096421665 454336812 /nfs/dbraw/zinc/33/68/12/454336812.db2.gz NVYWHISZYQUDHC-UHFFFAOYSA-N 1 2 346.394 3.240 40 0 EGABLO OCCc1ccc(NCc2c[nH+]c3ccc(Br)cn23)cc1 ZINC000096461405 454359261 /nfs/dbraw/zinc/35/92/61/454359261.db2.gz IWMMQAHNIFTJDA-UHFFFAOYSA-N 1 2 346.228 3.244 40 0 EGABLO O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000096468588 454361142 /nfs/dbraw/zinc/36/11/42/454361142.db2.gz LQDYXUFLKHCOPH-KSZLIROESA-N 1 2 326.371 3.004 40 0 EGABLO O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000096468597 454361440 /nfs/dbraw/zinc/36/14/40/454361440.db2.gz LQDYXUFLKHCOPH-RCCFBDPRSA-N 1 2 326.371 3.004 40 0 EGABLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1c(O)cccc1F ZINC000121011955 454377043 /nfs/dbraw/zinc/37/70/43/454377043.db2.gz GLXMOIIFOUYIGX-UHFFFAOYSA-N 1 2 341.342 3.059 40 0 EGABLO C=Cn1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)cn1 ZINC000253392122 455836859 /nfs/dbraw/zinc/83/68/59/455836859.db2.gz ANOWNOMOUAHAEE-BBRMVZONSA-N 1 2 337.345 3.310 40 0 EGABLO C=Cn1cc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)cn1 ZINC000253392122 455836865 /nfs/dbraw/zinc/83/68/65/455836865.db2.gz ANOWNOMOUAHAEE-BBRMVZONSA-N 1 2 337.345 3.310 40 0 EGABLO C=Cn1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)cn1 ZINC000253392128 455837014 /nfs/dbraw/zinc/83/70/14/455837014.db2.gz ANOWNOMOUAHAEE-CJNGLKHVSA-N 1 2 337.345 3.310 40 0 EGABLO C=Cn1cc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)cn1 ZINC000253392128 455837018 /nfs/dbraw/zinc/83/70/18/455837018.db2.gz ANOWNOMOUAHAEE-CJNGLKHVSA-N 1 2 337.345 3.310 40 0 EGABLO COc1cccc([C@H]([NH2+]CC(=O)N2CCC2)c2ccccc2Cl)c1 ZINC000253433028 455848539 /nfs/dbraw/zinc/84/85/39/455848539.db2.gz QXSAKGWEJPKMAV-IBGZPJMESA-N 1 2 344.842 3.260 40 0 EGABLO Cc1ccc(C[N@H+]2CCc3c(nc(N4CCCC[C@H]4C)[nH]c3=O)C2)o1 ZINC000257275392 455880805 /nfs/dbraw/zinc/88/08/05/455880805.db2.gz NPFGYBTZONWDTH-CYBMUJFWSA-N 1 2 342.443 3.021 40 0 EGABLO Cc1ccc(C[N@@H+]2CCc3c(nc(N4CCCC[C@H]4C)[nH]c3=O)C2)o1 ZINC000257275392 455880812 /nfs/dbraw/zinc/88/08/12/455880812.db2.gz NPFGYBTZONWDTH-CYBMUJFWSA-N 1 2 342.443 3.021 40 0 EGABLO COc1cccc(NC(=O)[C@]2(C)CCCN(c3cc(C)[nH+]cn3)C2)c1 ZINC000257286214 455882909 /nfs/dbraw/zinc/88/29/09/455882909.db2.gz PKSXUXCPHGQYGF-LJQANCHMSA-N 1 2 340.427 3.039 40 0 EGABLO COc1ccccc1[C@@H]1CN(C(C)=O)CC[N@@H+]1Cc1ccsc1 ZINC000257329707 455892594 /nfs/dbraw/zinc/89/25/94/455892594.db2.gz XLDLUJZVXHYOEU-KRWDZBQOSA-N 1 2 330.453 3.162 40 0 EGABLO COc1ccccc1[C@@H]1CN(C(C)=O)CC[N@H+]1Cc1ccsc1 ZINC000257329707 455892597 /nfs/dbraw/zinc/89/25/97/455892597.db2.gz XLDLUJZVXHYOEU-KRWDZBQOSA-N 1 2 330.453 3.162 40 0 EGABLO Cc1occc1-c1nnc(NCc2ccc(N3CCCC3)[nH+]c2)o1 ZINC000195562414 455984984 /nfs/dbraw/zinc/98/49/84/455984984.db2.gz JUXJYKSKTJFDJX-UHFFFAOYSA-N 1 2 325.372 3.245 40 0 EGABLO CC(C)(NC(=O)C1CC[NH+](CC(F)F)CC1)c1cccc(F)c1 ZINC000225559930 456093273 /nfs/dbraw/zinc/09/32/73/456093273.db2.gz YJOFKTVSIVHJBU-UHFFFAOYSA-N 1 2 328.378 3.154 40 0 EGABLO O=C(c1ccc2ccccc2n1)N1CC([N@@H+]2CCc3ccccc3C2)C1 ZINC000390827671 457444012 /nfs/dbraw/zinc/44/40/12/457444012.db2.gz IVMOXOXUKWZLOM-UHFFFAOYSA-N 1 2 343.430 3.118 40 0 EGABLO O=C(c1ccc2ccccc2n1)N1CC([N@H+]2CCc3ccccc3C2)C1 ZINC000390827671 457444022 /nfs/dbraw/zinc/44/40/22/457444022.db2.gz IVMOXOXUKWZLOM-UHFFFAOYSA-N 1 2 343.430 3.118 40 0 EGABLO Cc1nc(N2CC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)cc[nH+]1 ZINC000585261103 459831431 /nfs/dbraw/zinc/83/14/31/459831431.db2.gz JDQYPCGAXWXHCW-OAHLLOKOSA-N 1 2 338.386 3.497 40 0 EGABLO COc1ccc(CC(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000575604923 459980189 /nfs/dbraw/zinc/98/01/89/459980189.db2.gz HZAHVGGHRSERPE-SFHVURJKSA-N 1 2 340.423 3.011 40 0 EGABLO COc1cccc([C@H]2C[C@@H](O)CN2c2[nH+]c3cccc(F)c3n2C)c1 ZINC000669662423 461757204 /nfs/dbraw/zinc/75/72/04/461757204.db2.gz RDVHAGDOTPITKE-CXAGYDPISA-N 1 2 341.386 3.033 40 0 EGABLO Cn1cc[nH+]c1[C@@H](NC(=O)CCC(=O)c1ccccc1)c1ccccc1 ZINC000029067082 527451298 /nfs/dbraw/zinc/45/12/98/527451298.db2.gz FGPUMOZWZBUWEK-FQEVSTJZSA-N 1 2 347.418 3.289 40 0 EGABLO CCCC[C@H](C)C(=O)NC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000225734768 534964925 /nfs/dbraw/zinc/96/49/25/534964925.db2.gz TUWKXWKAINLCGK-HNNXBMFYSA-N 1 2 342.487 3.470 40 0 EGABLO COc1cc(-c2noc(Cn3c4ccccc4[nH+]c3C3CC3)n2)ccn1 ZINC000073338961 216379383 /nfs/dbraw/zinc/37/93/83/216379383.db2.gz GNPWVLPQBIFESV-UHFFFAOYSA-N 1 2 347.378 3.416 40 0 EGABLO Cc1cncc(CO[C@@H]2CCOC3(C[NH+](Cc4ccsc4)C3)C2)c1 ZINC000253604532 244037233 /nfs/dbraw/zinc/03/72/33/244037233.db2.gz YBMWENRJYCIJPP-GOSISDBHSA-N 1 2 344.480 3.402 40 0 EGABLO Cc1cc([C@H]2C[N@H+](Cc3ccc4ccccc4n3)CCO2)nc(C)n1 ZINC000257213067 244156987 /nfs/dbraw/zinc/15/69/87/244156987.db2.gz CGBIVQPKDZSOAU-HXUWFJFHSA-N 1 2 334.423 3.215 40 0 EGABLO Cc1cc([C@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCO2)nc(C)n1 ZINC000257213067 244156992 /nfs/dbraw/zinc/15/69/92/244156992.db2.gz CGBIVQPKDZSOAU-HXUWFJFHSA-N 1 2 334.423 3.215 40 0 EGABLO Cc1noc(C)c1CC(=O)N1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257273147 244382779 /nfs/dbraw/zinc/38/27/79/244382779.db2.gz NFLKIVFLKMZATM-UHFFFAOYSA-N 1 2 327.428 3.019 40 0 EGABLO Cc1cc(C[N@@H+](C)Cc2c(C)nn(-c3ccc(F)cc3)c2C)[nH]n1 ZINC000019659097 212054690 /nfs/dbraw/zinc/05/46/90/212054690.db2.gz XBESJMMTUOSAEO-UHFFFAOYSA-N 1 2 327.407 3.292 40 0 EGABLO Cc1cc(C[N@H+](C)Cc2c(C)nn(-c3ccc(F)cc3)c2C)[nH]n1 ZINC000019659097 212054693 /nfs/dbraw/zinc/05/46/93/212054693.db2.gz XBESJMMTUOSAEO-UHFFFAOYSA-N 1 2 327.407 3.292 40 0 EGABLO CC(C)Cn1cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cn1 ZINC000097378795 219019858 /nfs/dbraw/zinc/01/98/58/219019858.db2.gz BPNWQADKUIQMSN-OAHLLOKOSA-N 1 2 346.500 3.120 40 0 EGABLO O=C(CSCc1ccc(Cl)cc1F)NCCCn1cc[nH+]c1 ZINC000224035363 456063267 /nfs/dbraw/zinc/06/32/67/456063267.db2.gz IFIOMVKCXZTRLK-UHFFFAOYSA-N 1 2 341.839 3.115 40 0 EGABLO Cc1cc(O[C@@H](C)C(=O)NCCCn2cc[nH+]c2)cc(C)c1Cl ZINC000008025043 453152583 /nfs/dbraw/zinc/15/25/83/453152583.db2.gz JKTKTBAGILAPSR-AWEZNQCLSA-N 1 2 335.835 3.127 40 0 EGABLO Cc1oc(-c2ccccc2)nc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000011049524 453309814 /nfs/dbraw/zinc/30/98/14/453309814.db2.gz IZZXLEVYTNECHE-UHFFFAOYSA-N 1 2 334.423 3.367 40 0 EGABLO Cc1ccsc1C[N@@H+]1CCc2nc3cc(C4CC4)[nH]n3c(=O)c2C1 ZINC000012667039 453391013 /nfs/dbraw/zinc/39/10/13/453391013.db2.gz GMYNAUCXSUYTIZ-UHFFFAOYSA-N 1 2 340.452 3.241 40 0 EGABLO Cc1ccsc1C[N@H+]1CCc2nc3cc(C4CC4)[nH]n3c(=O)c2C1 ZINC000012667039 453391020 /nfs/dbraw/zinc/39/10/20/453391020.db2.gz GMYNAUCXSUYTIZ-UHFFFAOYSA-N 1 2 340.452 3.241 40 0 EGABLO O=C(NCCc1c[nH]c2ccccc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024049459 453723139 /nfs/dbraw/zinc/72/31/39/453723139.db2.gz WOQSBNCVQAUYIM-UHFFFAOYSA-N 1 2 330.391 3.326 40 0 EGABLO O=C(COc1ccccc1Cl)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000030848719 453838953 /nfs/dbraw/zinc/83/89/53/453838953.db2.gz TUEOUXACAVAONF-UHFFFAOYSA-N 1 2 341.798 3.221 40 0 EGABLO O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1ccnc(Cl)c1)C2 ZINC000075917294 453938607 /nfs/dbraw/zinc/93/86/07/453938607.db2.gz UBRWQJFHEXFZIK-UHFFFAOYSA-N 1 2 343.814 3.250 40 0 EGABLO O=C1OCCN1c1cccc2c1CC[N@H+](Cc1ccnc(Cl)c1)C2 ZINC000075917294 453938611 /nfs/dbraw/zinc/93/86/11/453938611.db2.gz UBRWQJFHEXFZIK-UHFFFAOYSA-N 1 2 343.814 3.250 40 0 EGABLO O=C(COc1ccccc1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000040122073 453948113 /nfs/dbraw/zinc/94/81/13/453948113.db2.gz WSRZISBYKZFBFJ-UHFFFAOYSA-N 1 2 339.439 3.157 40 0 EGABLO Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Br)c1 ZINC000043600914 454069610 /nfs/dbraw/zinc/06/96/10/454069610.db2.gz ZFVNXQSALNVTJO-UHFFFAOYSA-N 1 2 346.272 3.354 40 0 EGABLO CC[C@@H](C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1)c1ccccc1 ZINC000044448693 454102061 /nfs/dbraw/zinc/10/20/61/454102061.db2.gz USHQPCGGEBTICA-GOSISDBHSA-N 1 2 341.455 3.129 40 0 EGABLO Cc1cccc(N2CC[NH+](CC(=O)NCC3CCCCC3)CC2)c1C ZINC000057711389 454142656 /nfs/dbraw/zinc/14/26/56/454142656.db2.gz YTPWOJWASLGFKV-UHFFFAOYSA-N 1 2 343.515 3.122 40 0 EGABLO O=C(C[NH+](C[C@H]1CCCO1)C[C@H]1CCCO1)c1c[nH]c2ccccc12 ZINC000058147668 454165161 /nfs/dbraw/zinc/16/51/61/454165161.db2.gz OIEUBMIDQXUCAZ-HZPDHXFCSA-N 1 2 342.439 3.011 40 0 EGABLO CCOc1cc(-c2nnc([C@H]([NH3+])c3ccc(F)cc3)[nH]2)ccc1OC ZINC000095533364 454230126 /nfs/dbraw/zinc/23/01/26/454230126.db2.gz ACBZSLYXFXQRFZ-MRXNPFEDSA-N 1 2 342.374 3.066 40 0 EGABLO Cc1ccc([C@@H]([NH3+])c2nc(COc3ccc(Cl)cc3)n[nH]2)cc1 ZINC000095534077 454230750 /nfs/dbraw/zinc/23/07/50/454230750.db2.gz NKOHFFYTTLKZGL-MRXNPFEDSA-N 1 2 328.803 3.394 40 0 EGABLO CCOc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(F)cc3)[nH]2)cc1OC ZINC000095533369 454231064 /nfs/dbraw/zinc/23/10/64/454231064.db2.gz RRVJXBIGIKKXFG-INIZCTEOSA-N 1 2 342.374 3.066 40 0 EGABLO CCn1cc2c(n1)C[N@@H+](Cc1cn(C)c3ccccc13)C[C@@H]2COC ZINC000096045194 454267907 /nfs/dbraw/zinc/26/79/07/454267907.db2.gz OCEQXLNRRSDXEP-MRXNPFEDSA-N 1 2 338.455 3.141 40 0 EGABLO CCn1cc2c(n1)C[N@H+](Cc1cn(C)c3ccccc13)C[C@@H]2COC ZINC000096045194 454267911 /nfs/dbraw/zinc/26/79/11/454267911.db2.gz OCEQXLNRRSDXEP-MRXNPFEDSA-N 1 2 338.455 3.141 40 0 EGABLO CCn1cc2c(n1)C[N@@H+](CCOc1ccc(Cl)cc1)C[C@@H]2COC ZINC000096068691 454278013 /nfs/dbraw/zinc/27/80/13/454278013.db2.gz YXGRKQLLYHNEPO-CQSZACIVSA-N 1 2 349.862 3.181 40 0 EGABLO CCn1cc2c(n1)C[N@H+](CCOc1ccc(Cl)cc1)C[C@@H]2COC ZINC000096068691 454278017 /nfs/dbraw/zinc/27/80/17/454278017.db2.gz YXGRKQLLYHNEPO-CQSZACIVSA-N 1 2 349.862 3.181 40 0 EGABLO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@H+](Cc1cccc(Cl)c1)C2 ZINC000096111765 454286836 /nfs/dbraw/zinc/28/68/36/454286836.db2.gz VNIZNDNUYCQBSR-HOCLYGCPSA-N 1 2 328.799 3.314 40 0 biogenic,in-vitro EGABLO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000096111765 454286841 /nfs/dbraw/zinc/28/68/41/454286841.db2.gz VNIZNDNUYCQBSR-HOCLYGCPSA-N 1 2 328.799 3.314 40 0 biogenic,in-vitro EGABLO O=C(Nc1cc(F)c(F)cc1F)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000096410118 454328144 /nfs/dbraw/zinc/32/81/44/454328144.db2.gz NOQKTZKCLVLCIK-KRWDZBQOSA-N 1 2 349.356 3.492 40 0 EGABLO O=C(Nc1cc(F)c(F)cc1F)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000096410118 454328147 /nfs/dbraw/zinc/32/81/47/454328147.db2.gz NOQKTZKCLVLCIK-KRWDZBQOSA-N 1 2 349.356 3.492 40 0 EGABLO Cc1nc(C[N@@H+](C)CC2(c3ccc(Br)cc3)CC2)no1 ZINC000096421176 454336325 /nfs/dbraw/zinc/33/63/25/454336325.db2.gz GDCVGQGVGFEHBC-UHFFFAOYSA-N 1 2 336.233 3.304 40 0 EGABLO Cc1nc(C[N@H+](C)CC2(c3ccc(Br)cc3)CC2)no1 ZINC000096421176 454336331 /nfs/dbraw/zinc/33/63/31/454336331.db2.gz GDCVGQGVGFEHBC-UHFFFAOYSA-N 1 2 336.233 3.304 40 0 EGABLO CCC(CC)c1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)on1 ZINC000096423587 454337815 /nfs/dbraw/zinc/33/78/15/454337815.db2.gz ONUNZRLGALSISI-UHFFFAOYSA-N 1 2 330.432 3.084 40 0 EGABLO CC(=O)Nc1ccc(C)cc1NCc1[nH+]ccn1CC(F)(F)F ZINC000096427507 454340039 /nfs/dbraw/zinc/34/00/39/454340039.db2.gz IGMGFJGVTVNCQK-UHFFFAOYSA-N 1 2 326.322 3.324 40 0 EGABLO COc1cccc(NC(=O)NCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000096433612 454344280 /nfs/dbraw/zinc/34/42/80/454344280.db2.gz ZGGNPPUUAYCAAK-UHFFFAOYSA-N 1 2 336.395 3.262 40 0 EGABLO C[C@@H](NC(=O)N[C@H](C)c1ccccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096437612 454348771 /nfs/dbraw/zinc/34/87/71/454348771.db2.gz FVNIQTFOSYBQFS-HUUCEWRRSA-N 1 2 335.411 3.389 40 0 EGABLO O=C(c1ccccc1C(F)(F)F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120900191 454362520 /nfs/dbraw/zinc/36/25/20/454362520.db2.gz AKJRPTCPFXCZQM-CYBMUJFWSA-N 1 2 336.313 3.394 40 0 EGABLO CCc1ncnc(N[C@H](c2[nH+]ccn2C)c2ccccc2OC)c1F ZINC000096488978 454368804 /nfs/dbraw/zinc/36/88/04/454368804.db2.gz PWGUTQLRAXXTER-INIZCTEOSA-N 1 2 341.390 3.122 40 0 EGABLO CC(C)[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)n2)c2ccccc2N1 ZINC000096501429 454372775 /nfs/dbraw/zinc/37/27/75/454372775.db2.gz SMRVEGCOHQXKOG-QGZVFWFLSA-N 1 2 347.422 3.364 40 0 EGABLO O[C@H](c1nccn1Cc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000154815808 454932244 /nfs/dbraw/zinc/93/22/44/454932244.db2.gz RAKMRVXHMQTEKJ-FQEVSTJZSA-N 1 2 344.418 3.258 40 0 EGABLO Cc1nc(COC[C@H]2CN(Cc3ccco3)Cc3c[nH+]cn32)cs1 ZINC000248022238 455671467 /nfs/dbraw/zinc/67/14/67/455671467.db2.gz JLKBGVJZMJLWJL-MRXNPFEDSA-N 1 2 344.440 3.015 40 0 EGABLO c1cn(Cc2ccccc2CNc2ncnc3c2ncn3C2CC2)c[nH+]1 ZINC000292547590 455693091 /nfs/dbraw/zinc/69/30/91/455693091.db2.gz XABJLMQBPHPVQJ-UHFFFAOYSA-N 1 2 345.410 3.018 40 0 EGABLO CN(C)c1[nH+]cccc1CNC(=O)N1CCC(c2ccsc2)CC1 ZINC000186592520 455801610 /nfs/dbraw/zinc/80/16/10/455801610.db2.gz AAHYBEOUZMHLIX-UHFFFAOYSA-N 1 2 344.484 3.298 40 0 EGABLO CN(C)c1c(Cl)cccc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000252498766 455815463 /nfs/dbraw/zinc/81/54/63/455815463.db2.gz RKPWTULVYGZUOI-UHFFFAOYSA-N 1 2 345.821 3.322 40 0 EGABLO O=C(Nc1ccccc1OC(F)F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000253432598 455848506 /nfs/dbraw/zinc/84/85/06/455848506.db2.gz LNXPVVOAPPZEES-UHFFFAOYSA-N 1 2 336.342 3.423 40 0 EGABLO O=C(Nc1ccccc1OC(F)F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000253432598 455848510 /nfs/dbraw/zinc/84/85/10/455848510.db2.gz LNXPVVOAPPZEES-UHFFFAOYSA-N 1 2 336.342 3.423 40 0 EGABLO CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2cncs2)[nH+]1 ZINC000257288203 455882225 /nfs/dbraw/zinc/88/22/25/455882225.db2.gz PTICYSJHZBPJLP-HNNXBMFYSA-N 1 2 344.484 3.232 40 0 EGABLO Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3ccc4ccccc4c3)C2)[nH+]1 ZINC000257322884 455891427 /nfs/dbraw/zinc/89/14/27/455891427.db2.gz WHUROUPIPHJPMN-LJQANCHMSA-N 1 2 333.435 3.440 40 0 EGABLO CCc1noc(C)c1C(=O)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257324559 455892103 /nfs/dbraw/zinc/89/21/03/455892103.db2.gz WPGAKYPHXQRHFU-INIZCTEOSA-N 1 2 336.395 3.139 40 0 EGABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3nccc4ccccc43)C2)[nH+]1 ZINC000257323034 455892437 /nfs/dbraw/zinc/89/24/37/455892437.db2.gz WIMUPZFIZDOMPC-INIZCTEOSA-N 1 2 334.423 3.297 40 0 EGABLO Cc1ccc2nc(C(=O)N3CCC[C@H]3c3cc[nH+]c(N(C)C)c3)cn2c1 ZINC000257332860 455894108 /nfs/dbraw/zinc/89/41/08/455894108.db2.gz XZAVDVUMTIZKHN-KRWDZBQOSA-N 1 2 349.438 3.081 40 0 EGABLO O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000195539003 455981221 /nfs/dbraw/zinc/98/12/21/455981221.db2.gz LQDYXUFLKHCOPH-KZNAEPCWSA-N 1 2 326.371 3.004 40 0 EGABLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1c3ccc(F)cc3CC[C@H]1C)C2 ZINC000225517813 456089028 /nfs/dbraw/zinc/08/90/28/456089028.db2.gz ZSMCFNTUOGEMIM-RISCZKNCSA-N 1 2 327.403 3.330 40 0 EGABLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1c3ccc(F)cc3CC[C@H]1C)CC2 ZINC000225517813 456089036 /nfs/dbraw/zinc/08/90/36/456089036.db2.gz ZSMCFNTUOGEMIM-RISCZKNCSA-N 1 2 327.403 3.330 40 0 EGABLO Cc1csc([C@@H](Cc2ccsc2)NC(=O)CCn2cc[nH+]c2)n1 ZINC000012087890 201825286 /nfs/dbraw/zinc/82/52/86/201825286.db2.gz FOGDWOYERVQRKA-CQSZACIVSA-N 1 2 346.481 3.200 40 0 EGABLO COc1ccc(-c2nn3c([nH]c([C@H](C)n4cc[nH+]c4)cc3=O)c2C)cc1 ZINC000019557367 202012209 /nfs/dbraw/zinc/01/22/09/202012209.db2.gz YNPSMVMCROFFAQ-ZDUSSCGKSA-N 1 2 349.394 3.225 40 0 EGABLO CC(C)(C)NC(=O)Cn1c[nH+]cc1-c1cnn(C2CCCCC2)c1 ZINC000019654534 202015450 /nfs/dbraw/zinc/01/54/50/202015450.db2.gz LWNJZFKIWUQEDE-UHFFFAOYSA-N 1 2 329.448 3.167 40 0 EGABLO CCn1cc(-c2c[nH+]cn2CCCOc2cccc(OC)c2)cn1 ZINC000019719582 202016248 /nfs/dbraw/zinc/01/62/48/202016248.db2.gz QPTBDGXURXYYIN-UHFFFAOYSA-N 1 2 326.400 3.244 40 0 EGABLO O=C(Cc1ccc(Cl)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020483486 202045628 /nfs/dbraw/zinc/04/56/28/202045628.db2.gz YUQQYNPDLYSWDK-UHFFFAOYSA-N 1 2 325.799 3.385 40 0 EGABLO Cn1cc[nH+]c1[C@@H](NC(=O)CCOc1ccccc1)c1ccccc1 ZINC000023774060 202108281 /nfs/dbraw/zinc/10/82/81/202108281.db2.gz WAJMEJJQZZPSLT-IBGZPJMESA-N 1 2 335.407 3.095 40 0 EGABLO Cc1nc(C)c(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)s1 ZINC000029874585 202191529 /nfs/dbraw/zinc/19/15/29/202191529.db2.gz LLBCVJDSURLSPX-AWEZNQCLSA-N 1 2 344.415 3.152 40 0 EGABLO CCOC(=O)C(C(=O)OCC)(C1CCCCCC1)[NH+]1CCCCC1 ZINC000031923250 202213358 /nfs/dbraw/zinc/21/33/58/202213358.db2.gz UFUQIPIIDRUPCX-UHFFFAOYSA-N 1 2 339.476 3.308 40 0 EGABLO O=C(Cc1cccc2ccccc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000033236761 202252376 /nfs/dbraw/zinc/25/23/76/202252376.db2.gz ZTIDDKOXDCLZKG-UHFFFAOYSA-N 1 2 345.446 3.122 40 0 EGABLO C[NH+]1CCN(C(=O)c2ccc(-c3ccccc3Br)o2)CC1 ZINC000041127329 201090126 /nfs/dbraw/zinc/09/01/26/201090126.db2.gz WVABPNBPTFSXDM-UHFFFAOYSA-N 1 2 349.228 3.097 40 0 EGABLO Cn1c[nH+]cc1CCC(=O)NCC1(c2cccc(F)c2F)CCCC1 ZINC000281865171 201326339 /nfs/dbraw/zinc/32/63/39/201326339.db2.gz NSQLUQOKKBDLOU-UHFFFAOYSA-N 1 2 347.409 3.259 40 0 EGABLO COc1ccc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)nn1 ZINC000283284187 201329130 /nfs/dbraw/zinc/32/91/30/201329130.db2.gz XKMVUOLTZQMTSU-MAUKXSAKSA-N 1 2 327.428 3.064 40 0 EGABLO COc1ccc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)nn1 ZINC000283284187 201329136 /nfs/dbraw/zinc/32/91/36/201329136.db2.gz XKMVUOLTZQMTSU-MAUKXSAKSA-N 1 2 327.428 3.064 40 0 EGABLO FC(F)SCc1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)o1 ZINC000091928122 203078786 /nfs/dbraw/zinc/07/87/86/203078786.db2.gz WRLXGRCNBDGAAY-KBPBESRZSA-N 1 2 333.400 3.115 40 0 EGABLO FC(F)SCc1ccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)o1 ZINC000091928122 203078789 /nfs/dbraw/zinc/07/87/89/203078789.db2.gz WRLXGRCNBDGAAY-KBPBESRZSA-N 1 2 333.400 3.115 40 0 EGABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@H](OCc1ccncc1)CCO2 ZINC000253599060 244030995 /nfs/dbraw/zinc/03/09/95/244030995.db2.gz KKVHCFLNQLRENM-QGZVFWFLSA-N 1 2 344.480 3.402 40 0 EGABLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cncc(Oc3ccccc3)n2)cn1 ZINC000072384179 203210491 /nfs/dbraw/zinc/21/04/91/203210491.db2.gz CFJFMHCUYUNLFH-GOSISDBHSA-N 1 2 335.411 3.340 40 0 EGABLO Cn1cc(C[N@H+]2CCC[C@@H]2c2cncc(Oc3ccccc3)n2)cn1 ZINC000072384179 203210493 /nfs/dbraw/zinc/21/04/93/203210493.db2.gz CFJFMHCUYUNLFH-GOSISDBHSA-N 1 2 335.411 3.340 40 0 EGABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2c2ccnc(C)n2)n1 ZINC000072355699 203204960 /nfs/dbraw/zinc/20/49/60/203204960.db2.gz FUZNBLHMDWOMND-MRXNPFEDSA-N 1 2 334.427 3.270 40 0 EGABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)Nc2ccccc2)cc[nH+]1 ZINC000072360792 203205756 /nfs/dbraw/zinc/20/57/56/203205756.db2.gz CHOYWMMEIHVVOA-INIZCTEOSA-N 1 2 348.410 3.423 40 0 EGABLO O=C(Cc1ccccc1)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378431 203208428 /nfs/dbraw/zinc/20/84/28/203208428.db2.gz MKRJNOYVZJTYRJ-GOSISDBHSA-N 1 2 346.434 3.216 40 0 EGABLO CC(C)[C@@H](c1nnnn1Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000020098277 212100136 /nfs/dbraw/zinc/10/01/36/212100136.db2.gz XIEXQVKTDOYKIF-FQEVSTJZSA-N 1 2 347.466 3.477 40 0 EGABLO CC(C)[C@@H](c1nnnn1Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000020098277 212100138 /nfs/dbraw/zinc/10/01/38/212100138.db2.gz XIEXQVKTDOYKIF-FQEVSTJZSA-N 1 2 347.466 3.477 40 0 EGABLO CN(C)c1nc(C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)ns1 ZINC000095431080 218373637 /nfs/dbraw/zinc/37/36/37/218373637.db2.gz DAGHPNNSWXXDFM-UHFFFAOYSA-N 1 2 341.484 3.465 40 0 EGABLO O=C(Nc1ccccc1OC(F)F)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176336397 207218049 /nfs/dbraw/zinc/21/80/49/207218049.db2.gz VFKBCPGTLNPDFC-GFCCVEGCSA-N 1 2 336.342 3.181 40 0 EGABLO Cc1cccn2cc(-c3ccc(N[C@@H](C)CS(C)(=O)=O)cc3)[nH+]c12 ZINC000097232101 219000271 /nfs/dbraw/zinc/00/02/71/219000271.db2.gz USKNAAUHGJMMLN-AWEZNQCLSA-N 1 2 343.452 3.155 40 0 EGABLO CCc1ncc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cn1 ZINC000097378708 219019788 /nfs/dbraw/zinc/01/97/88/219019788.db2.gz VLGOEYBCSJFWBI-ZDUSSCGKSA-N 1 2 345.472 3.011 40 0 EGABLO COc1ccc2[nH]cc(C3CC[NH+](Cc4csnn4)CC3)c2c1 ZINC000119660219 221369986 /nfs/dbraw/zinc/36/99/86/221369986.db2.gz UBRDJKBWERVKTB-UHFFFAOYSA-N 1 2 328.441 3.408 40 0 EGABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2cccs2)c1 ZINC000257279844 278020746 /nfs/dbraw/zinc/02/07/46/278020746.db2.gz OIKIJVWHSFJWPK-HNNXBMFYSA-N 1 2 339.420 3.351 40 0 EGABLO CCN(C(=O)NCc1[nH+]cc(C)c(OC)c1C)[C@H](C)c1cccnc1 ZINC000096406834 279002803 /nfs/dbraw/zinc/00/28/03/279002803.db2.gz QKRPSSCPYYNZPY-OAHLLOKOSA-N 1 2 342.443 3.395 40 0 EGABLO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+][C@@H](C)Cn1cccn1 ZINC000097095648 323214761 /nfs/dbraw/zinc/21/47/61/323214761.db2.gz WVAYDZOLAAMEAU-HNNXBMFYSA-N 1 2 344.459 3.008 40 0 EGABLO O=C(NCc1[nH+]ccn1CCCc1ccccc1)C1C=CC=CC=C1 ZINC000239667919 455262826 /nfs/dbraw/zinc/26/28/26/455262826.db2.gz BSAFBHLBUNLYMR-UHFFFAOYSA-N 1 2 333.435 3.431 40 0 EGABLO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000240555572 455264538 /nfs/dbraw/zinc/26/45/38/455264538.db2.gz GWLCXPTXVSVSIQ-INIZCTEOSA-N 1 2 344.434 3.410 40 0 EGABLO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000240555572 455264543 /nfs/dbraw/zinc/26/45/43/455264543.db2.gz GWLCXPTXVSVSIQ-INIZCTEOSA-N 1 2 344.434 3.410 40 0 EGABLO COc1ccc(C[C@H]2Cc3cc(OC)c(OC)cc3C=[NH+]2)cc1OC ZINC000001725046 452677345 /nfs/dbraw/zinc/67/73/45/452677345.db2.gz DJBQMOKXDOEAAA-INIZCTEOSA-N 1 2 341.407 3.307 40 0 EGABLO C[C@H](Nc1nc(Nc2ccc(F)cc2)nc(NN)[nH+]1)c1ccccc1 ZINC000005662462 452891167 /nfs/dbraw/zinc/89/11/67/452891167.db2.gz RIFZSAVUWGBFGS-NSHDSACASA-N 1 2 339.378 3.213 40 0 EGABLO CCc1cc2c(nc(C)nc2N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000009970671 453268025 /nfs/dbraw/zinc/26/80/25/453268025.db2.gz LAARSFOWFUKFNY-UHFFFAOYSA-N 1 2 339.468 3.284 40 0 EGABLO Cc1sc(-c2ccccc2F)nc1C(=O)NCCCn1cc[nH+]c1 ZINC000011691880 453331394 /nfs/dbraw/zinc/33/13/94/453331394.db2.gz PMCWUNIPCCPGBW-UHFFFAOYSA-N 1 2 344.415 3.274 40 0 EGABLO Cc1ccc(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)cc1C ZINC000016704511 453620196 /nfs/dbraw/zinc/62/01/96/453620196.db2.gz AGGCFTYRUHMQJD-UHFFFAOYSA-N 1 2 340.496 3.213 40 0 EGABLO C[C@@](CO)([NH2+]Cc1noc(Cc2ccccc2)n1)C1CCCCC1 ZINC000077656632 454136600 /nfs/dbraw/zinc/13/66/00/454136600.db2.gz RNZLUAYXAYTOMX-IBGZPJMESA-N 1 2 329.444 3.081 40 0 EGABLO Cc1cccc(N2CC[NH+](CC(=O)Nc3ccc(C)c(F)c3)CC2)c1 ZINC000057720094 454143544 /nfs/dbraw/zinc/14/35/44/454143544.db2.gz YMUBYGRVRZSZQD-UHFFFAOYSA-N 1 2 341.430 3.203 40 0 EGABLO CCOC[C@@H]1C[N@H+](Cc2cccs2)Cc2ncn(CC3CC3)c21 ZINC000096045112 454268300 /nfs/dbraw/zinc/26/83/00/454268300.db2.gz YPTWNLJWCAUIDW-HNNXBMFYSA-N 1 2 331.485 3.491 40 0 EGABLO CCOC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ncn(CC3CC3)c21 ZINC000096045112 454268302 /nfs/dbraw/zinc/26/83/02/454268302.db2.gz YPTWNLJWCAUIDW-HNNXBMFYSA-N 1 2 331.485 3.491 40 0 EGABLO CCOC[C@@H]1CN(Cc2c(C)noc2C)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045116 454268687 /nfs/dbraw/zinc/26/86/87/454268687.db2.gz MTGGIAWUPWNSCR-INIZCTEOSA-N 1 2 344.459 3.034 40 0 EGABLO CCOC[C@@H]1C[N@H+](Cc2c(C)noc2C)Cc2ncn(CC3CC3)c21 ZINC000096045116 454268692 /nfs/dbraw/zinc/26/86/92/454268692.db2.gz MTGGIAWUPWNSCR-INIZCTEOSA-N 1 2 344.459 3.034 40 0 EGABLO CCOC[C@@H]1C[N@@H+](Cc2c(C)noc2C)Cc2ncn(CC3CC3)c21 ZINC000096045116 454268697 /nfs/dbraw/zinc/26/86/97/454268697.db2.gz MTGGIAWUPWNSCR-INIZCTEOSA-N 1 2 344.459 3.034 40 0 EGABLO CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216251 454273377 /nfs/dbraw/zinc/27/33/77/454273377.db2.gz IOWJRJQPKAYBAM-INIZCTEOSA-N 1 2 347.459 3.380 40 0 EGABLO C[N@H+](Cc1ccco1)[C@@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@H]12 ZINC000096056369 454274015 /nfs/dbraw/zinc/27/40/15/454274015.db2.gz AAZZDJKIJNZQSU-KURKYZTESA-N 1 2 332.469 3.205 40 0 EGABLO C[N@@H+](Cc1ccco1)[C@@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@H]12 ZINC000096056369 454274017 /nfs/dbraw/zinc/27/40/17/454274017.db2.gz AAZZDJKIJNZQSU-KURKYZTESA-N 1 2 332.469 3.205 40 0 EGABLO C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(S(C)(=O)=O)cc1 ZINC000090459103 454309507 /nfs/dbraw/zinc/30/95/07/454309507.db2.gz IMIHMCNGQHEBCT-NSHDSACASA-N 1 2 336.482 3.275 40 0 EGABLO CCc1cccc2c(CC(=O)N[C@H]3CCC[C@@H]3n3cc[nH+]c3)c[nH]c21 ZINC000078769283 454315864 /nfs/dbraw/zinc/31/58/64/454315864.db2.gz JJCQBUXNZLQFNC-ROUUACIJSA-N 1 2 336.439 3.379 40 0 EGABLO O=C(NCCCn1cc[nH+]c1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000096430445 454341514 /nfs/dbraw/zinc/34/15/14/454341514.db2.gz QPBMCWMVDMEPRA-UHFFFAOYSA-N 1 2 338.386 3.268 40 0 EGABLO Fc1cc2ncnc(NCc3ccnc(-n4cc[nH+]c4)c3)c2cc1F ZINC000096429287 454341696 /nfs/dbraw/zinc/34/16/96/454341696.db2.gz XFDHJFNKVHGGRK-UHFFFAOYSA-N 1 2 338.321 3.101 40 0 EGABLO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1csc(CS(C)(=O)=O)n1 ZINC000096443514 454351661 /nfs/dbraw/zinc/35/16/61/454351661.db2.gz ULYMKIGUOKVRFT-TZMCWYRMSA-N 1 2 330.519 3.088 40 0 EGABLO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1csc(CS(C)(=O)=O)n1 ZINC000096443514 454351662 /nfs/dbraw/zinc/35/16/62/454351662.db2.gz ULYMKIGUOKVRFT-TZMCWYRMSA-N 1 2 330.519 3.088 40 0 EGABLO CSc1ccc(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000078996351 454352527 /nfs/dbraw/zinc/35/25/27/454352527.db2.gz BKBRJMJSANEUAD-UHFFFAOYSA-N 1 2 331.441 3.138 40 0 EGABLO Cn1cc[nH+]c1CNC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000096461540 454359540 /nfs/dbraw/zinc/35/95/40/454359540.db2.gz WXCIFVDEZZJFOE-GOSISDBHSA-N 1 2 338.386 3.148 40 0 EGABLO CC[C@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccs1 ZINC000096468861 454361402 /nfs/dbraw/zinc/36/14/02/454361402.db2.gz FVWJFVRDCPYTCF-GJZGRUSLSA-N 1 2 331.441 3.457 40 0 EGABLO CC[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccs1 ZINC000096468869 454361410 /nfs/dbraw/zinc/36/14/10/454361410.db2.gz FVWJFVRDCPYTCF-CABCVRRESA-N 1 2 331.441 3.457 40 0 EGABLO C[C@@H](C(=O)Nc1cnc(C2CC2)nc1)n1cc[nH+]c1-c1ccccc1 ZINC000096487473 454367137 /nfs/dbraw/zinc/36/71/37/454367137.db2.gz OHGOSMTXGODUFP-ZDUSSCGKSA-N 1 2 333.395 3.417 40 0 EGABLO CC1CCC(=CC(=O)NC2(c3noc(C[NH+](C)C)n3)CCCC2)CC1 ZINC000079352111 454400861 /nfs/dbraw/zinc/40/08/61/454400861.db2.gz KSBDTPMCCGMPLO-UHFFFAOYSA-N 1 2 346.475 3.153 40 0 EGABLO C[C@@H](c1nc(-c2ccc(S(C)(=O)=O)cc2)no1)[NH+]1CCCCCC1 ZINC000097104555 454408560 /nfs/dbraw/zinc/40/85/60/454408560.db2.gz WOSKKIFVIJCHJS-ZDUSSCGKSA-N 1 2 349.456 3.077 40 0 EGABLO CCn1cc[nH+]c1CNc1cccc(Oc2ccccc2C(N)=O)c1 ZINC000097227726 454426241 /nfs/dbraw/zinc/42/62/41/454426241.db2.gz MPUZHAKKIWEFRA-UHFFFAOYSA-N 1 2 336.395 3.406 40 0 EGABLO OCC1CCN(c2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000091355871 454429927 /nfs/dbraw/zinc/42/99/27/454429927.db2.gz IVXVFSROJNULRF-UHFFFAOYSA-N 1 2 339.414 3.432 40 0 EGABLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC000248082635 455680545 /nfs/dbraw/zinc/68/05/45/455680545.db2.gz AQWMTTLGNSDBBM-HZMVEIRTSA-N 1 2 327.403 3.201 40 0 EGABLO CN(C(=O)C1CCC(F)(F)CC1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257287331 455882981 /nfs/dbraw/zinc/88/29/81/455882981.db2.gz PPMVUOSXNZLELE-OAHLLOKOSA-N 1 2 337.414 3.334 40 0 EGABLO Cc1nc(C)c(C(=O)N2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)s1 ZINC000257294332 455885284 /nfs/dbraw/zinc/88/52/84/455885284.db2.gz QTQUQLROKLPUQS-OAHLLOKOSA-N 1 2 344.484 3.241 40 0 EGABLO Cc1c[nH]c(-c2cnc(C[C@@H]3CCCN(c4cccc[nH+]4)C3)cn2)n1 ZINC000257305850 455887379 /nfs/dbraw/zinc/88/73/79/455887379.db2.gz SRVAYOKUWKRNLY-HNNXBMFYSA-N 1 2 334.427 3.029 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)c3cn4c(cccc4C)n3)C2)cc[nH+]1 ZINC000257335574 455894567 /nfs/dbraw/zinc/89/45/67/455894567.db2.gz YKUSLZRGHSLNPQ-INIZCTEOSA-N 1 2 349.438 3.099 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)Cc3ccc(C)s3)C2)cc[nH+]1 ZINC000257339113 455895610 /nfs/dbraw/zinc/89/56/10/455895610.db2.gz ZAGMSUDYDDSHDN-OAHLLOKOSA-N 1 2 329.469 3.442 40 0 EGABLO COC(=O)c1ccccc1N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1C ZINC000195580388 455988534 /nfs/dbraw/zinc/98/85/34/455988534.db2.gz KLGFJOUGZWSUPQ-UHFFFAOYSA-N 1 2 349.390 3.244 40 0 EGABLO O=C(c1conc1-c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225871996 456108063 /nfs/dbraw/zinc/10/80/63/456108063.db2.gz WRPBEFKPUKCMDB-UHFFFAOYSA-N 1 2 347.418 3.300 40 0 EGABLO O=C(CSCc1c(F)cccc1Cl)NCCCn1cc[nH+]c1 ZINC000408574691 457582926 /nfs/dbraw/zinc/58/29/26/457582926.db2.gz KAZQCRCBVWAQCP-UHFFFAOYSA-N 1 2 341.839 3.115 40 0 EGABLO Cc1noc(C)c1C[N@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189723720 534351753 /nfs/dbraw/zinc/35/17/53/534351753.db2.gz WHEAYGMBIHIRMH-UHFFFAOYSA-N 1 2 328.391 3.307 40 0 EGABLO Cc1noc(C)c1C[N@@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189723720 534351761 /nfs/dbraw/zinc/35/17/61/534351761.db2.gz WHEAYGMBIHIRMH-UHFFFAOYSA-N 1 2 328.391 3.307 40 0 EGABLO Cc1noc(C)c1C(=O)N1CCC(c2[nH+]c(C)n3ccsc23)CC1 ZINC000019579859 202013978 /nfs/dbraw/zinc/01/39/78/202013978.db2.gz VKDKUPUVHAMABQ-UHFFFAOYSA-N 1 2 344.440 3.329 40 0 EGABLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1Cl ZINC000019683088 202016635 /nfs/dbraw/zinc/01/66/35/202016635.db2.gz CUSLWYWSUWIONT-UHFFFAOYSA-N 1 2 330.815 3.425 40 0 EGABLO Cc1ccc(C)c(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000020453398 202042955 /nfs/dbraw/zinc/04/29/55/202042955.db2.gz HAYSDVWARQKILJ-UHFFFAOYSA-N 1 2 335.407 3.184 40 0 EGABLO CC[N@H+](CCCNC(=O)c1noc2c1CCCC2)c1ccccc1 ZINC000020608686 202051413 /nfs/dbraw/zinc/05/14/13/202051413.db2.gz MJCNEFHJWYFFHO-UHFFFAOYSA-N 1 2 327.428 3.200 40 0 EGABLO CC[N@@H+](CCCNC(=O)c1noc2c1CCCC2)c1ccccc1 ZINC000020608686 202051415 /nfs/dbraw/zinc/05/14/15/202051415.db2.gz MJCNEFHJWYFFHO-UHFFFAOYSA-N 1 2 327.428 3.200 40 0 EGABLO O=C(c1ccc2c(c1)CCC2)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000023441717 202104439 /nfs/dbraw/zinc/10/44/39/202104439.db2.gz KWMIFTOYRHYITF-UHFFFAOYSA-N 1 2 338.426 3.272 40 0 EGABLO O=C(c1cccc(Br)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000239846264 201153018 /nfs/dbraw/zinc/15/30/18/201153018.db2.gz LARBRDWIZWTNGT-HNNXBMFYSA-N 1 2 347.212 3.138 40 0 EGABLO CCS(=O)(=O)c1ccccc1NCc1cn2c(cccc2C)[nH+]1 ZINC000195576192 241023411 /nfs/dbraw/zinc/02/34/11/241023411.db2.gz YIXIBXPWHDUCET-UHFFFAOYSA-N 1 2 329.425 3.048 40 0 EGABLO C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1cc[nH+]cc1 ZINC000225741953 242014664 /nfs/dbraw/zinc/01/46/64/242014664.db2.gz HKCJJXGCYNNGPZ-AWEZNQCLSA-N 1 2 326.469 3.209 40 0 EGABLO Fc1cccc(-c2cccc([C@@H]3CN(Cc4[nH]cc[nH+]4)CCO3)n2)c1 ZINC000257200090 244114713 /nfs/dbraw/zinc/11/47/13/244114713.db2.gz ABYGPVWVZGQIIL-SFHVURJKSA-N 1 2 338.386 3.184 40 0 EGABLO COc1ccc(CN2CCOC[C@H]2c2[nH]cc(C)[nH+]2)c2ccccc12 ZINC000257211891 244154474 /nfs/dbraw/zinc/15/44/74/244154474.db2.gz CAYPYAKKRAOHMU-SFHVURJKSA-N 1 2 337.423 3.453 40 0 EGABLO Cc1cccc(C2=NO[C@@H]3C[N@@H+](Cc4cnc(C(C)C)nc4)C[C@H]23)c1 ZINC000072343239 203202862 /nfs/dbraw/zinc/20/28/62/203202862.db2.gz XCZFSXAXDVLJBU-ZWKOTPCHSA-N 1 2 336.439 3.143 40 0 EGABLO Cc1cccc(C2=NO[C@@H]3C[N@H+](Cc4cnc(C(C)C)nc4)C[C@H]23)c1 ZINC000072343239 203202866 /nfs/dbraw/zinc/20/28/66/203202866.db2.gz XCZFSXAXDVLJBU-ZWKOTPCHSA-N 1 2 336.439 3.143 40 0 EGABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2cccs2)cc1 ZINC000257269579 244374675 /nfs/dbraw/zinc/37/46/75/244374675.db2.gz MQNVJSKDNOGZAI-OAHLLOKOSA-N 1 2 339.420 3.351 40 0 EGABLO CNc1cc([C@H]2CCCN2C(=O)c2ccc(OC)c(F)c2)cc[nH+]1 ZINC000257262011 244350784 /nfs/dbraw/zinc/35/07/84/244350784.db2.gz LJQUXSVHQWMVRV-OAHLLOKOSA-N 1 2 329.375 3.248 40 0 EGABLO Cc1nc(C)c(CC(=O)N2CCC(Cc3cc[nH+]c(C)c3)CC2)s1 ZINC000257275737 244391001 /nfs/dbraw/zinc/39/10/01/244391001.db2.gz NQRDPDSFRTTWFW-UHFFFAOYSA-N 1 2 343.496 3.487 40 0 EGABLO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449222 218392816 /nfs/dbraw/zinc/39/28/16/218392816.db2.gz OXBKPUWZDKNYBK-WBVHZDCISA-N 1 2 336.407 3.130 40 0 EGABLO C[N@H+]1CC[C@@H](NC(=O)Cc2cccs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449222 218392818 /nfs/dbraw/zinc/39/28/18/218392818.db2.gz OXBKPUWZDKNYBK-WBVHZDCISA-N 1 2 336.407 3.130 40 0 EGABLO Cc1cc(NC(=O)NC[C@H](O)c2cccc(OC(C)C)c2)cc[nH+]1 ZINC000119624570 221362214 /nfs/dbraw/zinc/36/22/14/221362214.db2.gz CWASLCUWPBBHHG-KRWDZBQOSA-N 1 2 329.400 3.032 40 0 EGABLO Clc1ccc2c(c1)N[C@@H](c1ccc3nccnc3c1)N1CC[NH+]=C21 ZINC000012188545 294108531 /nfs/dbraw/zinc/10/85/31/294108531.db2.gz LYEMBOPGAPQMFN-QGZVFWFLSA-N 1 2 335.798 3.470 40 0 EGABLO C[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ncc(-c2ccccc2)o1 ZINC000097374517 323215449 /nfs/dbraw/zinc/21/54/49/323215449.db2.gz DTRGRHWPFCLCAI-CQSZACIVSA-N 1 2 346.390 3.200 40 0 EGABLO CS(=O)(=O)C[C@@H]([NH2+]Cc1cc2cc(F)ccc2o1)c1ccccc1 ZINC000154972414 323221730 /nfs/dbraw/zinc/22/17/30/323221730.db2.gz XVUFVOANRYNJLT-QGZVFWFLSA-N 1 2 347.411 3.447 40 0 EGABLO COC(=O)c1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(F)c1 ZINC000390834171 324284555 /nfs/dbraw/zinc/28/45/55/324284555.db2.gz TYEHGLCSIAMUJO-UHFFFAOYSA-N 1 2 339.326 3.255 40 0 EGABLO Cc1cccn2cc(CSc3nnc(-c4ccco4)n3C)[nH+]c12 ZINC000005313040 452855817 /nfs/dbraw/zinc/85/58/17/452855817.db2.gz ZWCNRPPWEXXZSL-UHFFFAOYSA-N 1 2 325.397 3.324 40 0 EGABLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)Cc1ccco1 ZINC000008072828 453157698 /nfs/dbraw/zinc/15/76/98/453157698.db2.gz OJFRUICGPKXCQK-UHFFFAOYSA-N 1 2 338.411 3.153 40 0 EGABLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)Cc1ccco1 ZINC000008072828 453157709 /nfs/dbraw/zinc/15/77/09/453157709.db2.gz OJFRUICGPKXCQK-UHFFFAOYSA-N 1 2 338.411 3.153 40 0 EGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000012116418 453345189 /nfs/dbraw/zinc/34/51/89/453345189.db2.gz GXNGOQZZCLCIRH-OAHLLOKOSA-N 1 2 340.471 3.239 40 0 EGABLO COc1ccc(OC)c(CN(Cc2ccco2)Cc2c[nH+]cn2C)c1 ZINC000012147065 453347843 /nfs/dbraw/zinc/34/78/43/453347843.db2.gz UNPSVBNQULWXAV-UHFFFAOYSA-N 1 2 341.411 3.233 40 0 EGABLO COCCNc1ncc(-c2[nH]cc[nH+]2)c(-c2ccc(Cl)cc2)n1 ZINC000012221370 453349166 /nfs/dbraw/zinc/34/91/66/453349166.db2.gz SDONUNZYGLYIPM-UHFFFAOYSA-N 1 2 329.791 3.245 40 0 EGABLO Cc1cc(C)cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000024758691 453746389 /nfs/dbraw/zinc/74/63/89/453746389.db2.gz HSHMVUONLPYIOC-HXUWFJFHSA-N 1 2 338.451 3.107 40 0 EGABLO Cc1ccc(CNC(=O)c2nnc(C[NH+]3CCCCCC3)s2)cc1 ZINC000027576387 453818986 /nfs/dbraw/zinc/81/89/86/453818986.db2.gz BGSUWABVMOYONL-UHFFFAOYSA-N 1 2 344.484 3.153 40 0 EGABLO COC(=O)c1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1C ZINC000038858236 453942409 /nfs/dbraw/zinc/94/24/09/453942409.db2.gz MENLRXBSTXNVNK-UHFFFAOYSA-N 1 2 349.390 3.279 40 0 EGABLO O=[S@@](Cc1cn2cc(Br)ccc2[nH+]1)c1ccccc1 ZINC000083977308 453963382 /nfs/dbraw/zinc/96/33/82/453963382.db2.gz MBPSJFDTQHMMRM-LJQANCHMSA-N 1 2 335.226 3.405 40 0 EGABLO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCCn1cc[nH+]c1 ZINC000044903240 454125735 /nfs/dbraw/zinc/12/57/35/454125735.db2.gz PPIDYWJILCCXKL-GOSISDBHSA-N 1 2 337.423 3.400 40 0 EGABLO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000044935463 454127303 /nfs/dbraw/zinc/12/73/03/454127303.db2.gz OBDHYGMLUCVGEI-HXUWFJFHSA-N 1 2 338.451 3.400 40 0 EGABLO COc1cc2c(c3c1OCO3)C[N@H+](Cc1ccccc1Cl)C[C@@H]2O ZINC000095470481 454218007 /nfs/dbraw/zinc/21/80/07/454218007.db2.gz XPPXNJLJUGIODT-HNNXBMFYSA-N 1 2 347.798 3.127 40 0 EGABLO COc1cc2c(c3c1OCO3)C[N@@H+](Cc1ccccc1Cl)C[C@@H]2O ZINC000095470481 454218014 /nfs/dbraw/zinc/21/80/14/454218014.db2.gz XPPXNJLJUGIODT-HNNXBMFYSA-N 1 2 347.798 3.127 40 0 EGABLO COc1ccc(NCc2n[nH]c([C@@H]([NH3+])c3ccc(Cl)cc3)n2)cc1 ZINC000095533971 454230229 /nfs/dbraw/zinc/23/02/29/454230229.db2.gz QNIRLSJGCRJBCF-INIZCTEOSA-N 1 2 343.818 3.127 40 0 EGABLO COc1ccc(NCc2nnc([C@@H]([NH3+])c3ccc(Cl)cc3)[nH]2)cc1 ZINC000095533971 454230232 /nfs/dbraw/zinc/23/02/32/454230232.db2.gz QNIRLSJGCRJBCF-INIZCTEOSA-N 1 2 343.818 3.127 40 0 EGABLO COc1ccc(NCc2nc([C@@H]([NH3+])c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000095533971 454230236 /nfs/dbraw/zinc/23/02/36/454230236.db2.gz QNIRLSJGCRJBCF-INIZCTEOSA-N 1 2 343.818 3.127 40 0 EGABLO CCNc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213083 454274011 /nfs/dbraw/zinc/27/40/11/454274011.db2.gz MDJFWYCAYMSWIW-KRWDZBQOSA-N 1 2 345.468 3.348 40 0 EGABLO Cc1cc(C[N@@H+]2CCc3nc(N4CCCC4)nc(C)c3C2)oc1C ZINC000096253836 454312446 /nfs/dbraw/zinc/31/24/46/454312446.db2.gz AXDBXDSEUVKORL-UHFFFAOYSA-N 1 2 326.444 3.153 40 0 EGABLO Cc1cc(C[N@H+]2CCc3nc(N4CCCC4)nc(C)c3C2)oc1C ZINC000096253836 454312451 /nfs/dbraw/zinc/31/24/51/454312451.db2.gz AXDBXDSEUVKORL-UHFFFAOYSA-N 1 2 326.444 3.153 40 0 EGABLO Cc1nc(-c2cc(C(=O)N[C@H]3CCC[C@H]3n3cc[nH+]c3)co2)cs1 ZINC000096403373 454322476 /nfs/dbraw/zinc/32/24/76/454322476.db2.gz VWAVDAIUEMSJRC-DZGCQCFKSA-N 1 2 342.424 3.432 40 0 EGABLO Cc1ccc(Cc2nc(C3(NC(=O)OC(C)(C)C)CCC3)no2)c[nH+]1 ZINC000096405327 454323247 /nfs/dbraw/zinc/32/32/47/454323247.db2.gz ADPWTLHDWZDHSY-UHFFFAOYSA-N 1 2 344.415 3.268 40 0 EGABLO O=C(CCCn1cc[nH+]c1)NC1(c2cccc(Br)c2)CC1 ZINC000096418893 454334391 /nfs/dbraw/zinc/33/43/91/454334391.db2.gz DQGDTILDLODNCF-UHFFFAOYSA-N 1 2 348.244 3.231 40 0 EGABLO C[C@H](NC(=O)CCCc1ccccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432112 454343349 /nfs/dbraw/zinc/34/33/49/454343349.db2.gz IKITXCSSGHFNOG-INIZCTEOSA-N 1 2 334.423 3.467 40 0 EGABLO CC(C)Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)o1 ZINC000096436939 454347636 /nfs/dbraw/zinc/34/76/36/454347636.db2.gz NDUMRSMUALKKKU-RYUDHWBXSA-N 1 2 344.415 3.011 40 0 EGABLO C[C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2)CC[C@H]1c1ccccc1 ZINC000096439345 454348396 /nfs/dbraw/zinc/34/83/96/454348396.db2.gz CBONQFQPWARQSP-IEBWSBKVSA-N 1 2 340.471 3.499 40 0 EGABLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C/c2cnc(C)s2)c1C ZINC000078999444 454352304 /nfs/dbraw/zinc/35/23/04/454352304.db2.gz SFIDFSRLPFHVIA-VOTSOKGWSA-N 1 2 331.441 3.144 40 0 EGABLO C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000079039518 454358878 /nfs/dbraw/zinc/35/88/78/454358878.db2.gz FKHBKAJMAUZMBS-QFBILLFUSA-N 1 2 346.471 3.053 40 0 EGABLO CC(C)[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)n2)c2ccccc2N1 ZINC000096501428 454372900 /nfs/dbraw/zinc/37/29/00/454372900.db2.gz SMRVEGCOHQXKOG-KRWDZBQOSA-N 1 2 347.422 3.364 40 0 EGABLO COc1ccc2oc([C@H](C)[NH2+]Cc3nnnn3C(C)C)c(C)c2c1 ZINC000096502748 454373006 /nfs/dbraw/zinc/37/30/06/454373006.db2.gz MUHHGXVVOVXAQF-LBPRGKRZSA-N 1 2 329.404 3.168 40 0 EGABLO C[C@H](c1nc(-c2ccc(S(C)(=O)=O)cc2)no1)[NH+]1CCCCCC1 ZINC000097104556 454408759 /nfs/dbraw/zinc/40/87/59/454408759.db2.gz WOSKKIFVIJCHJS-CYBMUJFWSA-N 1 2 349.456 3.077 40 0 EGABLO CC(C)Nc1cc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)nc[nH+]1 ZINC000079439857 454415649 /nfs/dbraw/zinc/41/56/49/454415649.db2.gz ULTKKJQJJFOZJU-AWEZNQCLSA-N 1 2 349.479 3.133 40 0 EGABLO CC(C)Nc1cc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)[nH+]cn1 ZINC000079439857 454415652 /nfs/dbraw/zinc/41/56/52/454415652.db2.gz ULTKKJQJJFOZJU-AWEZNQCLSA-N 1 2 349.479 3.133 40 0 EGABLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)cc(Cl)c1Br ZINC000252499653 455815310 /nfs/dbraw/zinc/81/53/10/455815310.db2.gz SDMPTIKTLZFJDD-UHFFFAOYSA-N 1 2 342.624 3.107 40 0 EGABLO CCN1CC[C@@H]([NH2+]Cc2noc(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252537102 455820473 /nfs/dbraw/zinc/82/04/73/455820473.db2.gz KHOQBJJRAZEVDW-GDBMZVCRSA-N 1 2 338.814 3.096 40 0 EGABLO CC[N@@H+]1CC[C@@H](NCc2noc(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252537102 455820478 /nfs/dbraw/zinc/82/04/78/455820478.db2.gz KHOQBJJRAZEVDW-GDBMZVCRSA-N 1 2 338.814 3.096 40 0 EGABLO CC[N@H+]1CC[C@@H](NCc2noc(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252537102 455820481 /nfs/dbraw/zinc/82/04/81/455820481.db2.gz KHOQBJJRAZEVDW-GDBMZVCRSA-N 1 2 338.814 3.096 40 0 EGABLO Cc1nnc([C@@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)s1 ZINC000253392221 455837476 /nfs/dbraw/zinc/83/74/76/455837476.db2.gz LNJBMNVZZVSUGZ-GFCCVEGCSA-N 1 2 330.457 3.258 40 0 EGABLO Cc1c[nH]c(-c2cc(CC3CCN(c4cccc[nH+]4)CC3)ncn2)n1 ZINC000257310232 455889147 /nfs/dbraw/zinc/88/91/47/455889147.db2.gz UEGUNAYPWHWFFN-UHFFFAOYSA-N 1 2 334.427 3.029 40 0 EGABLO Cc1cc([C@H]2C[N@H+](CCCOc3ccccc3F)CCO2)nc(C)n1 ZINC000257331376 455893341 /nfs/dbraw/zinc/89/33/41/455893341.db2.gz XSPHFMZKDJUQGW-LJQANCHMSA-N 1 2 345.418 3.075 40 0 EGABLO Cc1cc([C@H]2C[N@@H+](CCCOc3ccccc3F)CCO2)nc(C)n1 ZINC000257331376 455893343 /nfs/dbraw/zinc/89/33/43/455893343.db2.gz XSPHFMZKDJUQGW-LJQANCHMSA-N 1 2 345.418 3.075 40 0 EGABLO Cc1cc([C@@H]2C[N@H+](CCCOc3ccccc3F)CCO2)nc(C)n1 ZINC000257331375 455893481 /nfs/dbraw/zinc/89/34/81/455893481.db2.gz XSPHFMZKDJUQGW-IBGZPJMESA-N 1 2 345.418 3.075 40 0 EGABLO Cc1cc([C@@H]2C[N@@H+](CCCOc3ccccc3F)CCO2)nc(C)n1 ZINC000257331375 455893482 /nfs/dbraw/zinc/89/34/82/455893482.db2.gz XSPHFMZKDJUQGW-IBGZPJMESA-N 1 2 345.418 3.075 40 0 EGABLO CC(C)c1cnc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)o1 ZINC000195572102 455987617 /nfs/dbraw/zinc/98/76/17/455987617.db2.gz IRZIEUSMBTYTSJ-GFCCVEGCSA-N 1 2 337.445 3.020 40 0 EGABLO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@H+](Cc1cnc3ccccc3c1)C2 ZINC000225479610 456085496 /nfs/dbraw/zinc/08/54/96/456085496.db2.gz IDMCYFACPOEPFK-LPHOPBHVSA-N 1 2 345.402 3.209 40 0 biogenic,in-vitro EGABLO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@@H+](Cc1cnc3ccccc3c1)C2 ZINC000225479610 456085502 /nfs/dbraw/zinc/08/55/02/456085502.db2.gz IDMCYFACPOEPFK-LPHOPBHVSA-N 1 2 345.402 3.209 40 0 biogenic,in-vitro EGABLO CC1(C)[C@H](c2ccccc2)CCN1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000333785969 456262350 /nfs/dbraw/zinc/26/23/50/456262350.db2.gz VINKTWGAAXKIPX-HOTGVXAUSA-N 1 2 338.455 3.245 40 0 EGABLO CC1(C)[C@H](c2ccccc2)CCN1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000333785969 456262354 /nfs/dbraw/zinc/26/23/54/456262354.db2.gz VINKTWGAAXKIPX-HOTGVXAUSA-N 1 2 338.455 3.245 40 0 EGABLO O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000281642498 456279988 /nfs/dbraw/zinc/27/99/88/456279988.db2.gz WCSSYFYDAVJTQQ-ZOBUZTSGSA-N 1 2 342.418 3.384 40 0 EGABLO CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000332079091 457299482 /nfs/dbraw/zinc/29/94/82/457299482.db2.gz HYVBYBUSIGRNOL-ZBFHGGJFSA-N 1 2 347.484 3.112 40 0 EGABLO Cc1ccc2[nH]c(C[C@H]3C[N@H+](C(C)C)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288507 458797875 /nfs/dbraw/zinc/79/78/75/458797875.db2.gz GRJSIYDOGJHZHF-GJZGRUSLSA-N 1 2 329.444 3.235 40 0 biogenic,in-vitro EGABLO Cc1ccc2[nH]c(C[C@H]3C[N@@H+](C(C)C)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288507 458797877 /nfs/dbraw/zinc/79/78/77/458797877.db2.gz GRJSIYDOGJHZHF-GJZGRUSLSA-N 1 2 329.444 3.235 40 0 biogenic,in-vitro EGABLO COc1cccc([C@@H]2C[C@@H](O)CN2c2[nH+]c3cccc(F)c3n2C)c1 ZINC000669662424 461756995 /nfs/dbraw/zinc/75/69/95/461756995.db2.gz RDVHAGDOTPITKE-DYVFJYSZSA-N 1 2 341.386 3.033 40 0 EGABLO COc1ncncc1C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000648001743 461932262 /nfs/dbraw/zinc/93/22/62/461932262.db2.gz HEMCGKMOGFZWII-UHFFFAOYSA-N 1 2 333.819 3.182 40 0 EGABLO C[N@H+](C[C@@H](O)C(F)(F)F)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000097378170 546691414 /nfs/dbraw/zinc/69/14/14/546691414.db2.gz BZINHXVZBRTDCR-CABCVRRESA-N 1 2 328.309 3.165 40 0 EGABLO C[N@@H+](C[C@@H](O)C(F)(F)F)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000097378170 546691417 /nfs/dbraw/zinc/69/14/17/546691417.db2.gz BZINHXVZBRTDCR-CABCVRRESA-N 1 2 328.309 3.165 40 0 EGABLO Cc1ccc(NC(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)c(Cl)c1 ZINC000224141420 547247536 /nfs/dbraw/zinc/24/75/36/547247536.db2.gz MYEKUFAGLGMRRP-UHFFFAOYSA-N 1 2 348.838 3.214 40 0 EGABLO COc1nccc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)c1F ZINC000893651939 1306007783 /nfs/dbraw/zinc/00/77/83/1306007783.db2.gz QMPCJZIEVCUUHY-UHFFFAOYSA-N 1 2 328.391 3.141 40 0 EGABLO O=C(Cc1ccc2c(c1)CCCO2)NCc1ccccc1-n1cc[nH+]c1 ZINC000019349498 202006343 /nfs/dbraw/zinc/00/63/43/202006343.db2.gz MAIBJIWHUWRRFT-UHFFFAOYSA-N 1 2 347.418 3.056 40 0 EGABLO CCOc1ncccc1-c1noc(C[N@@H+]2CCc3ccccc3C2)n1 ZINC000019531593 202009689 /nfs/dbraw/zinc/00/96/89/202009689.db2.gz CVWKYMGJSXXHJC-UHFFFAOYSA-N 1 2 336.395 3.089 40 0 EGABLO CCOc1ncccc1-c1noc(C[N@H+]2CCc3ccccc3C2)n1 ZINC000019531593 202009692 /nfs/dbraw/zinc/00/96/92/202009692.db2.gz CVWKYMGJSXXHJC-UHFFFAOYSA-N 1 2 336.395 3.089 40 0 EGABLO CCN1c2ccc(-c3c[nH+]cn3CC(=O)NC(C)(C)C)cc2C[C@H]1C ZINC000019719452 202016831 /nfs/dbraw/zinc/01/68/31/202016831.db2.gz CCFLESKLVICKJC-CQSZACIVSA-N 1 2 340.471 3.236 40 0 EGABLO O=C(NCc1ccccc1Cl)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020104451 202032149 /nfs/dbraw/zinc/03/21/49/202032149.db2.gz UHFSYIJYTLQNRI-UHFFFAOYSA-N 1 2 344.842 3.102 40 0 EGABLO CC[N@H+](CCCNC(=O)c1cccc(OC)c1OC)c1ccccc1 ZINC000021939414 202074491 /nfs/dbraw/zinc/07/44/91/202074491.db2.gz IMWQPSHMLMLNFR-UHFFFAOYSA-N 1 2 342.439 3.350 40 0 EGABLO CC[N@@H+](CCCNC(=O)c1cccc(OC)c1OC)c1ccccc1 ZINC000021939414 202074493 /nfs/dbraw/zinc/07/44/93/202074493.db2.gz IMWQPSHMLMLNFR-UHFFFAOYSA-N 1 2 342.439 3.350 40 0 EGABLO CSc1nnc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)s1 ZINC000074312923 202372815 /nfs/dbraw/zinc/37/28/15/202372815.db2.gz UQVCOHNCCISXBV-CQSZACIVSA-N 1 2 335.498 3.132 40 0 EGABLO CSc1nnc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)s1 ZINC000074312923 202372819 /nfs/dbraw/zinc/37/28/19/202372819.db2.gz UQVCOHNCCISXBV-CQSZACIVSA-N 1 2 335.498 3.132 40 0 EGABLO Cc1cc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)c(C)o1 ZINC000021710478 212241740 /nfs/dbraw/zinc/24/17/40/212241740.db2.gz FEPQKKDKGQTJIR-IBGZPJMESA-N 1 2 342.439 3.008 40 0 EGABLO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2cncc(C)c2)CCO3)o1 ZINC000253602830 244035475 /nfs/dbraw/zinc/03/54/75/244035475.db2.gz FTSBCXBWUXESKS-SFHVURJKSA-N 1 2 342.439 3.242 40 0 EGABLO Cc1nc(Nc2nncs2)cc([C@@H]2CC[N@H+](CC(C)(C)C)C2)n1 ZINC000072383655 203210076 /nfs/dbraw/zinc/21/00/76/203210076.db2.gz YFDJCSXTNRBDHX-GFCCVEGCSA-N 1 2 332.477 3.216 40 0 EGABLO Cc1nc(Nc2nncs2)cc([C@@H]2CC[N@@H+](CC(C)(C)C)C2)n1 ZINC000072383655 203210077 /nfs/dbraw/zinc/21/00/77/203210077.db2.gz YFDJCSXTNRBDHX-GFCCVEGCSA-N 1 2 332.477 3.216 40 0 EGABLO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2Cc2c(F)cccc2F)ccn1 ZINC000257234024 244223209 /nfs/dbraw/zinc/22/32/09/244223209.db2.gz GRTVKDFIGDAORP-IBGZPJMESA-N 1 2 345.393 3.333 40 0 EGABLO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2Cc2c(F)cccc2F)ccn1 ZINC000257234024 244223215 /nfs/dbraw/zinc/22/32/15/244223215.db2.gz GRTVKDFIGDAORP-IBGZPJMESA-N 1 2 345.393 3.333 40 0 EGABLO CCc1nnc(Nc2cc([C@H]3CCC[N@@H+]3C(C)C)nc(C)n2)s1 ZINC000072360160 203204121 /nfs/dbraw/zinc/20/41/21/203204121.db2.gz HIMYXNSGTCZTNY-CYBMUJFWSA-N 1 2 332.477 3.488 40 0 EGABLO CCc1nnc(Nc2cc([C@H]3CCC[N@H+]3C(C)C)nc(C)n2)s1 ZINC000072360160 203204123 /nfs/dbraw/zinc/20/41/23/203204123.db2.gz HIMYXNSGTCZTNY-CYBMUJFWSA-N 1 2 332.477 3.488 40 0 EGABLO Cc1cc(N2CCC[C@@H](c3cnc(Nc4ccccn4)cn3)C2)nc[nH+]1 ZINC000072362512 203206264 /nfs/dbraw/zinc/20/62/64/203206264.db2.gz MUGJZMCEZKCFLP-OAHLLOKOSA-N 1 2 347.426 3.098 40 0 EGABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc4ccc(F)cc4[nH]3)C2)[nH+]1 ZINC000257242224 244246907 /nfs/dbraw/zinc/24/69/07/244246907.db2.gz IBOYNYWZJOFMAZ-AWEZNQCLSA-N 1 2 340.402 3.369 40 0 EGABLO COc1ccc(Cl)cc1-c1nc(SCCn2cc[nH+]c2)n[nH]1 ZINC000095435762 218378562 /nfs/dbraw/zinc/37/85/62/218378562.db2.gz AJFCVQSBVNEAGS-UHFFFAOYSA-N 1 2 335.820 3.123 40 0 EGABLO COc1ccc(Cl)cc1-c1n[nH]c(SCCn2cc[nH+]c2)n1 ZINC000095435762 218378563 /nfs/dbraw/zinc/37/85/63/218378563.db2.gz AJFCVQSBVNEAGS-UHFFFAOYSA-N 1 2 335.820 3.123 40 0 EGABLO COCc1noc([C@@H](C)[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000181902530 533298089 /nfs/dbraw/zinc/29/80/89/533298089.db2.gz CQZAKGWERYYRGA-OCCSQVGLSA-N 1 2 347.390 3.011 40 0 EGABLO COCc1noc([C@@H](C)[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000181902530 533298096 /nfs/dbraw/zinc/29/80/96/533298096.db2.gz CQZAKGWERYYRGA-OCCSQVGLSA-N 1 2 347.390 3.011 40 0 EGABLO C[C@H](C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000096407607 289295328 /nfs/dbraw/zinc/29/53/28/289295328.db2.gz SPMMPVKAUCXRAA-IUODEOHRSA-N 1 2 335.860 3.414 40 0 EGABLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)on1 ZINC000097233681 323215057 /nfs/dbraw/zinc/21/50/57/323215057.db2.gz BNZPHNPCONUVEA-NVXWUHKLSA-N 1 2 349.381 3.215 40 0 EGABLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)on1 ZINC000097233681 323215058 /nfs/dbraw/zinc/21/50/58/323215058.db2.gz BNZPHNPCONUVEA-NVXWUHKLSA-N 1 2 349.381 3.215 40 0 EGABLO CS(=O)(=O)C[C@H]([NH2+]Cc1cc2cc(F)ccc2o1)c1ccccc1 ZINC000154972310 323221733 /nfs/dbraw/zinc/22/17/33/323221733.db2.gz XVUFVOANRYNJLT-KRWDZBQOSA-N 1 2 347.411 3.447 40 0 EGABLO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCN(c4ccccn4)CC3)o2)cc1 ZINC000008268208 453184624 /nfs/dbraw/zinc/18/46/24/453184624.db2.gz LKYBTHTZWZJSJQ-MRXNPFEDSA-N 1 2 349.438 3.323 40 0 EGABLO Cc1ccc2[nH+]c(CSc3nnc(-c4ccco4)n3C)cn2c1 ZINC000008395658 453200390 /nfs/dbraw/zinc/20/03/90/453200390.db2.gz LJXQUWKHUDYSHI-UHFFFAOYSA-N 1 2 325.397 3.324 40 0 EGABLO O=C(Cn1cc[nH+]c1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000081291485 453856920 /nfs/dbraw/zinc/85/69/20/453856920.db2.gz BJOJNRMHEAFIPT-UHFFFAOYSA-N 1 2 328.759 3.363 40 0 EGABLO CCc1ccc(-c2nc(C)c(C(=O)NCCn3cc[nH+]c3)s2)cc1 ZINC000053253946 453868030 /nfs/dbraw/zinc/86/80/30/453868030.db2.gz WXPYZQUYHKSGBW-UHFFFAOYSA-N 1 2 340.452 3.307 40 0 EGABLO C[C@H]1Cc2ccccc2N1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000038756794 453941737 /nfs/dbraw/zinc/94/17/37/453941737.db2.gz CLNDLMSAZLEJHM-INIZCTEOSA-N 1 2 336.435 3.110 40 0 EGABLO CCOc1ccccc1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044931986 454127188 /nfs/dbraw/zinc/12/71/88/454127188.db2.gz HWYSWXFDYZTYQR-UHFFFAOYSA-N 1 2 335.407 3.260 40 0 EGABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3cccc(F)c3)[nH]2)cc1OC ZINC000095534316 454230956 /nfs/dbraw/zinc/23/09/56/454230956.db2.gz VWDMMLNCZIQWTE-INIZCTEOSA-N 1 2 342.374 3.066 40 0 EGABLO CCOc1ccc([C@H]([NH3+])c2n[nH]c(-c3cccc(F)c3)n2)cc1OC ZINC000095534316 454230958 /nfs/dbraw/zinc/23/09/58/454230958.db2.gz VWDMMLNCZIQWTE-INIZCTEOSA-N 1 2 342.374 3.066 40 0 EGABLO COC[C@H]1C[N@H+](Cc2ccc(F)cc2)Cc2ncn(CC3CC3)c21 ZINC000096045057 454268544 /nfs/dbraw/zinc/26/85/44/454268544.db2.gz IPTOIJUEYIMHCA-MRXNPFEDSA-N 1 2 329.419 3.178 40 0 EGABLO COC[C@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2ncn(CC3CC3)c21 ZINC000096045057 454268549 /nfs/dbraw/zinc/26/85/49/454268549.db2.gz IPTOIJUEYIMHCA-MRXNPFEDSA-N 1 2 329.419 3.178 40 0 EGABLO COC[C@H]1CN(Cc2ccc(F)cc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045057 454268552 /nfs/dbraw/zinc/26/85/52/454268552.db2.gz IPTOIJUEYIMHCA-MRXNPFEDSA-N 1 2 329.419 3.178 40 0 EGABLO Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(Cc1ccc(F)cc1)C2 ZINC000096060239 454277152 /nfs/dbraw/zinc/27/71/52/454277152.db2.gz ZOFRGXRCHJSWAE-MRXNPFEDSA-N 1 2 329.419 3.085 40 0 EGABLO Cn1cnc2c1[C@@H](COCC1CC1)C[N@H+](Cc1ccc(F)cc1)C2 ZINC000096060239 454277154 /nfs/dbraw/zinc/27/71/54/454277154.db2.gz ZOFRGXRCHJSWAE-MRXNPFEDSA-N 1 2 329.419 3.085 40 0 EGABLO Cn1cnc2c1[C@@H](COCC1CC1)C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096060239 454277157 /nfs/dbraw/zinc/27/71/57/454277157.db2.gz ZOFRGXRCHJSWAE-MRXNPFEDSA-N 1 2 329.419 3.085 40 0 EGABLO Cc1nc(C[N@@H+]2CC[C@H]3C[C@H](c4nnc(C5CC5)o4)O[C@@H]3C2)cs1 ZINC000096070602 454277827 /nfs/dbraw/zinc/27/78/27/454277827.db2.gz SZLFMKAOLDPVSL-NWANDNLSSA-N 1 2 346.456 3.064 40 0 EGABLO Cc1nc(C[N@H+]2CC[C@H]3C[C@H](c4nnc(C5CC5)o4)O[C@@H]3C2)cs1 ZINC000096070602 454277829 /nfs/dbraw/zinc/27/78/29/454277829.db2.gz SZLFMKAOLDPVSL-NWANDNLSSA-N 1 2 346.456 3.064 40 0 EGABLO c1coc(C[N@H+]2CCc3c(COCc4nccs4)cncc3C2)c1 ZINC000096067381 454278077 /nfs/dbraw/zinc/27/80/77/454278077.db2.gz RJYMOYJZXTVNIX-UHFFFAOYSA-N 1 2 341.436 3.406 40 0 EGABLO c1coc(C[N@@H+]2CCc3c(COCc4nccs4)cncc3C2)c1 ZINC000096067381 454278079 /nfs/dbraw/zinc/27/80/79/454278079.db2.gz RJYMOYJZXTVNIX-UHFFFAOYSA-N 1 2 341.436 3.406 40 0 EGABLO c1ccc(C[N@H+]2CCc3c(COCc4cccnc4)cncc3C2)nc1 ZINC000096089144 454281519 /nfs/dbraw/zinc/28/15/19/454281519.db2.gz HXRIBSDQRXLQFP-UHFFFAOYSA-N 1 2 346.434 3.147 40 0 EGABLO c1ccc(C[N@@H+]2CCc3c(COCc4cccnc4)cncc3C2)nc1 ZINC000096089144 454281524 /nfs/dbraw/zinc/28/15/24/454281524.db2.gz HXRIBSDQRXLQFP-UHFFFAOYSA-N 1 2 346.434 3.147 40 0 EGABLO c1csc(C[N@H+]2Cc3nccn3C[C@@H](COc3cccnc3)C2)c1 ZINC000096187945 454299061 /nfs/dbraw/zinc/29/90/61/454299061.db2.gz JSGVLUJAUPNZBY-HNNXBMFYSA-N 1 2 340.452 3.051 40 0 EGABLO c1csc(C[N@@H+]2Cc3nccn3C[C@@H](COc3cccnc3)C2)c1 ZINC000096187945 454299067 /nfs/dbraw/zinc/29/90/67/454299067.db2.gz JSGVLUJAUPNZBY-HNNXBMFYSA-N 1 2 340.452 3.051 40 0 EGABLO CCOC[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)Cc2cn(C)nc21 ZINC000096197997 454301622 /nfs/dbraw/zinc/30/16/22/454301622.db2.gz NSQGSUSXJZKHGQ-AWEZNQCLSA-N 1 2 337.826 3.349 40 0 EGABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)Cc2cn(C)nc21 ZINC000096197997 454301626 /nfs/dbraw/zinc/30/16/26/454301626.db2.gz NSQGSUSXJZKHGQ-AWEZNQCLSA-N 1 2 337.826 3.349 40 0 EGABLO Cc1ccc(Cn2nccc2NC(=O)c2ccc3[nH+]ccn3c2)s1 ZINC000078775172 454317020 /nfs/dbraw/zinc/31/70/20/454317020.db2.gz WQTUWWPRSCTLHO-UHFFFAOYSA-N 1 2 337.408 3.201 40 0 EGABLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCc2ccccc21 ZINC000096408081 454326602 /nfs/dbraw/zinc/32/66/02/454326602.db2.gz XIVHZPFGGNWGCK-FQEVSTJZSA-N 1 2 336.435 3.187 40 0 EGABLO CC[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CCS1 ZINC000096434634 454345603 /nfs/dbraw/zinc/34/56/03/454345603.db2.gz YBFMSGHWDRVRLS-OAHLLOKOSA-N 1 2 330.457 3.446 40 0 EGABLO Cc1noc(C)c1NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000096434399 454345648 /nfs/dbraw/zinc/34/56/48/454345648.db2.gz UGZDGSYJDNFSIG-LLVKDONJSA-N 1 2 325.372 3.360 40 0 EGABLO CC[C@H](Oc1ccccc1C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000096454285 454357230 /nfs/dbraw/zinc/35/72/30/454357230.db2.gz HRTOAGSJPVZHBP-HOTGVXAUSA-N 1 2 327.428 3.282 40 0 EGABLO O=C(NCc1[nH+]ccn1CCc1ccccc1)[C@@H]1C[C@H]1c1ccco1 ZINC000096459358 454358453 /nfs/dbraw/zinc/35/84/53/454358453.db2.gz JHFIILUQWSRPPO-IAGOWNOFSA-N 1 2 335.407 3.139 40 0 EGABLO CSc1cccc([C@H]([NH2+][C@H]2CCNC2=O)c2ccc(F)cc2F)c1 ZINC000096482614 454364910 /nfs/dbraw/zinc/36/49/10/454364910.db2.gz CTSFUBFUTVQLIS-IRXDYDNUSA-N 1 2 348.418 3.254 40 0 EGABLO CCn1cc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cn1 ZINC000097095175 454404831 /nfs/dbraw/zinc/40/48/31/454404831.db2.gz RBEGFODKLYQICS-IAGOWNOFSA-N 1 2 334.851 3.040 40 0 EGABLO CCn1cc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000097095175 454404835 /nfs/dbraw/zinc/40/48/35/454404835.db2.gz RBEGFODKLYQICS-IAGOWNOFSA-N 1 2 334.851 3.040 40 0 EGABLO CCn1cc[nH+]c1CNc1ccc(C(=O)NCc2ccco2)cc1C ZINC000097227722 454426438 /nfs/dbraw/zinc/42/64/38/454426438.db2.gz KRKHBFGKQYCYCM-UHFFFAOYSA-N 1 2 338.411 3.347 40 0 EGABLO O=C(NC[C@H](c1ccco1)[NH+]1CCSCC1)Nc1cccs1 ZINC000244986318 455278382 /nfs/dbraw/zinc/27/83/82/455278382.db2.gz JQEABUZPERGJCF-GFCCVEGCSA-N 1 2 337.470 3.253 40 0 EGABLO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2ccncc2)CCO3)s1 ZINC000248098498 455680559 /nfs/dbraw/zinc/68/05/59/455680559.db2.gz NECHSEZFZJDAQP-KRWDZBQOSA-N 1 2 344.480 3.402 40 0 EGABLO COc1cc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1Cl ZINC000194396954 455837261 /nfs/dbraw/zinc/83/72/61/455837261.db2.gz PRMFJHHRTPRSJX-UHFFFAOYSA-N 1 2 346.818 3.098 40 0 EGABLO Cc1ccccc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000253406677 455840240 /nfs/dbraw/zinc/84/02/40/455840240.db2.gz UVQYIYNMBNOUCO-INIZCTEOSA-N 1 2 345.468 3.500 40 0 EGABLO C[C@@H]1CN(c2cc(N3CCCC3)[nH+]cn2)C[C@H](c2ccsc2)O1 ZINC000253433098 455848955 /nfs/dbraw/zinc/84/89/55/455848955.db2.gz RVKGMDTZNTYLPC-UKRRQHHQSA-N 1 2 330.457 3.105 40 0 EGABLO C[C@@H]1CN(c2cc(N3CCCC3)nc[nH+]2)C[C@H](c2ccsc2)O1 ZINC000253433098 455848962 /nfs/dbraw/zinc/84/89/62/455848962.db2.gz RVKGMDTZNTYLPC-UKRRQHHQSA-N 1 2 330.457 3.105 40 0 EGABLO Cc1nccc(C[N@@H+]2CCN(C)[C@@H](c3ccc(OC(C)C)cc3)C2)n1 ZINC000257262558 455879801 /nfs/dbraw/zinc/87/98/01/455879801.db2.gz LLXGMWHMAODHMB-HXUWFJFHSA-N 1 2 340.471 3.061 40 0 EGABLO Cc1nccc(C[N@H+]2CCN(C)[C@@H](c3ccc(OC(C)C)cc3)C2)n1 ZINC000257262558 455879804 /nfs/dbraw/zinc/87/98/04/455879804.db2.gz LLXGMWHMAODHMB-HXUWFJFHSA-N 1 2 340.471 3.061 40 0 EGABLO COc1ccccc1[C@H]1CN(C(C)=O)CC[N@@H+]1Cc1ccsc1 ZINC000257329708 455893615 /nfs/dbraw/zinc/89/36/15/455893615.db2.gz XLDLUJZVXHYOEU-QGZVFWFLSA-N 1 2 330.453 3.162 40 0 EGABLO COc1ccccc1[C@H]1CN(C(C)=O)CC[N@H+]1Cc1ccsc1 ZINC000257329708 455893620 /nfs/dbraw/zinc/89/36/20/455893620.db2.gz XLDLUJZVXHYOEU-QGZVFWFLSA-N 1 2 330.453 3.162 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)cc[nH+]1 ZINC000257334521 455894211 /nfs/dbraw/zinc/89/42/11/455894211.db2.gz YGHUPJVGFLNLNX-HNNXBMFYSA-N 1 2 343.402 3.047 40 0 EGABLO CNc1cc([C@@H]2CCCN2C(=O)Cc2cccc(OC)c2)cc[nH+]1 ZINC000257342156 455896174 /nfs/dbraw/zinc/89/61/74/455896174.db2.gz ZNHNISGTBOFVQU-KRWDZBQOSA-N 1 2 325.412 3.038 40 0 EGABLO O=C(NCc1cn2ccccc2[nH+]1)c1scnc1C1CCCC1 ZINC000195562761 455984792 /nfs/dbraw/zinc/98/47/92/455984792.db2.gz CUDRGEMGSLVIAE-UHFFFAOYSA-N 1 2 326.425 3.378 40 0 EGABLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1c3ccc(F)cc3CC[C@@H]1C)C2 ZINC000225517724 456088465 /nfs/dbraw/zinc/08/84/65/456088465.db2.gz ZSMCFNTUOGEMIM-SMDDNHRTSA-N 1 2 327.403 3.330 40 0 EGABLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1c3ccc(F)cc3CC[C@@H]1C)CC2 ZINC000225517724 456088468 /nfs/dbraw/zinc/08/84/68/456088468.db2.gz ZSMCFNTUOGEMIM-SMDDNHRTSA-N 1 2 327.403 3.330 40 0 EGABLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1c3ccc(F)cc3CC[C@@H]1C)C2 ZINC000225517787 456088536 /nfs/dbraw/zinc/08/85/36/456088536.db2.gz ZSMCFNTUOGEMIM-FZMZJTMJSA-N 1 2 327.403 3.330 40 0 EGABLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1c3ccc(F)cc3CC[C@@H]1C)CC2 ZINC000225517787 456088538 /nfs/dbraw/zinc/08/85/38/456088538.db2.gz ZSMCFNTUOGEMIM-FZMZJTMJSA-N 1 2 327.403 3.330 40 0 EGABLO COc1cc(CNC(=S)Nc2cc[nH+]cc2)ccc1OC(C)C ZINC000225532572 456090915 /nfs/dbraw/zinc/09/09/15/456090915.db2.gz SPLJDPBTINFIJY-UHFFFAOYSA-N 1 2 331.441 3.364 40 0 EGABLO Nc1c(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccnc1-c1ccccc1 ZINC000225557748 456091423 /nfs/dbraw/zinc/09/14/23/456091423.db2.gz YXIBHSMFTBVUED-MRXNPFEDSA-N 1 2 347.422 3.421 40 0 EGABLO O=C(c1ccsn1)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000333461595 456220694 /nfs/dbraw/zinc/22/06/94/456220694.db2.gz LRTALVGSOCNIMK-UHFFFAOYSA-N 1 2 326.425 3.114 40 0 EGABLO CC1(C)[C@H](c2ccccc2)CCN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000333785965 456262059 /nfs/dbraw/zinc/26/20/59/456262059.db2.gz VINKTWGAAXKIPX-CVEARBPZSA-N 1 2 338.455 3.245 40 0 EGABLO CC1(C)[C@H](c2ccccc2)CCN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000333785965 456262065 /nfs/dbraw/zinc/26/20/65/456262065.db2.gz VINKTWGAAXKIPX-CVEARBPZSA-N 1 2 338.455 3.245 40 0 EGABLO Cc1ccc([C@@H](C)CC[N@@H+]2CC(F)(F)C[C@@]3(CCCNC3=O)C2)o1 ZINC000306143140 456568418 /nfs/dbraw/zinc/56/84/18/456568418.db2.gz XUKKQELTKZWKNJ-GUYCJALGSA-N 1 2 340.414 3.319 40 0 EGABLO Cc1ccc([C@@H](C)CC[N@H+]2CC(F)(F)C[C@@]3(CCCNC3=O)C2)o1 ZINC000306143140 456568426 /nfs/dbraw/zinc/56/84/26/456568426.db2.gz XUKKQELTKZWKNJ-GUYCJALGSA-N 1 2 340.414 3.319 40 0 EGABLO COc1ccc(CNc2cc(C)[nH+]c(-c3cccnc3)n2)cc1OC ZINC000301128574 456803886 /nfs/dbraw/zinc/80/38/86/456803886.db2.gz YEUFUPUSFNQPLX-UHFFFAOYSA-N 1 2 336.395 3.476 40 0 EGABLO CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2ccccn2)[nH+]1 ZINC000585182382 459831272 /nfs/dbraw/zinc/83/12/72/459831272.db2.gz BJILRQDRPFNESK-KRWDZBQOSA-N 1 2 338.455 3.170 40 0 EGABLO c1sc(N[NH+]=C2CCCCCN2)nc1-c1ccc2c(c1)OCCO2 ZINC000006222163 471535632 /nfs/dbraw/zinc/53/56/32/471535632.db2.gz NTEATZDDGAWYAP-UHFFFAOYSA-N 1 2 344.440 3.470 40 0 EGABLO CCCCc1[nH]c(CN2CCN(C(C)=O)C[C@H]2c2ccccc2)c[nH+]1 ZINC000257203225 535100331 /nfs/dbraw/zinc/10/03/31/535100331.db2.gz APDLKQNFWAEUJM-IBGZPJMESA-N 1 2 340.471 3.158 40 0 EGABLO CCCCc1[nH]cc(CN2CCN(C(C)=O)C[C@H]2c2ccccc2)[nH+]1 ZINC000257203225 535100337 /nfs/dbraw/zinc/10/03/37/535100337.db2.gz APDLKQNFWAEUJM-IBGZPJMESA-N 1 2 340.471 3.158 40 0 EGABLO Cc1cccn2cc(CNc3cc(-c4cccnc4)nc(C)n3)[nH+]c12 ZINC000678718380 549547259 /nfs/dbraw/zinc/54/72/59/549547259.db2.gz SJIPXDDCVOUVCO-UHFFFAOYSA-N 1 2 330.395 3.415 40 0 EGABLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccnc3cc(Cl)ccc32)C1 ZINC000935091567 1330028174 /nfs/dbraw/zinc/02/81/74/1330028174.db2.gz ZDKQDDZDKKPUMZ-GFCCVEGCSA-N 1 2 340.814 3.251 40 0 EGABLO Cc1csc(C[C@@H]2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)C2)n1 ZINC001334106359 1390479304 /nfs/dbraw/zinc/47/93/04/1390479304.db2.gz TZUDREBCPLNOAY-ZDUSSCGKSA-N 1 2 341.440 3.196 40 0 EGABLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000067161609 215119449 /nfs/dbraw/zinc/11/94/49/215119449.db2.gz GDSMFQGWOVAFFA-VQTJNVASSA-N 1 2 349.409 3.490 40 0 EGABLO c1ccc(CC[N@@H+]2CCOc3nc4cc5c(cc4cc3C2)OCO5)cc1 ZINC000019371336 202006177 /nfs/dbraw/zinc/00/61/77/202006177.db2.gz LRGAXDYEYCLGOT-UHFFFAOYSA-N 1 2 348.402 3.401 40 0 EGABLO c1ccc(CC[N@H+]2CCOc3nc4cc5c(cc4cc3C2)OCO5)cc1 ZINC000019371336 202006179 /nfs/dbraw/zinc/00/61/79/202006179.db2.gz LRGAXDYEYCLGOT-UHFFFAOYSA-N 1 2 348.402 3.401 40 0 EGABLO Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000020454153 202042648 /nfs/dbraw/zinc/04/26/48/202042648.db2.gz RDQGIGVLXOVNCR-INIZCTEOSA-N 1 2 335.407 3.264 40 0 EGABLO CC[NH+]1CCN(C(=O)c2sc(Nc3ccc(F)cc3)nc2C)CC1 ZINC000022246033 202081965 /nfs/dbraw/zinc/08/19/65/202081965.db2.gz BTVCSIODBBZHEI-UHFFFAOYSA-N 1 2 348.447 3.112 40 0 EGABLO O=C(Cn1cc[nH+]c1)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000073007557 202368067 /nfs/dbraw/zinc/36/80/67/202368067.db2.gz NIKPRWWPSMXHSO-MRXNPFEDSA-N 1 2 348.244 3.303 40 0 EGABLO Cc1nc(N2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)cc[nH+]1 ZINC000257208045 244140696 /nfs/dbraw/zinc/14/06/96/244140696.db2.gz BKKXAVFYLAQKEN-HNNXBMFYSA-N 1 2 333.399 3.055 40 0 EGABLO Cc1c[nH+]c2n1C[C@@H](c1ccccc1)N(C(=O)c1scnc1C)C2 ZINC000257209876 244147483 /nfs/dbraw/zinc/14/74/83/244147483.db2.gz BSGARWBGYMGGLC-HNNXBMFYSA-N 1 2 338.436 3.354 40 0 EGABLO c1cc(C[C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH]n1 ZINC000257232646 244216587 /nfs/dbraw/zinc/21/65/87/244216587.db2.gz GLVABZNWDDCADE-INIZCTEOSA-N 1 2 333.439 3.321 40 0 EGABLO c1cc(C[C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH]n1 ZINC000257232646 244216594 /nfs/dbraw/zinc/21/65/94/244216594.db2.gz GLVABZNWDDCADE-INIZCTEOSA-N 1 2 333.439 3.321 40 0 EGABLO CCN(Cc1ccccc1)C(=O)c1cc(C)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000257237387 244231280 /nfs/dbraw/zinc/23/12/80/244231280.db2.gz HGGARWRQNIZSBZ-GOSISDBHSA-N 1 2 338.455 3.214 40 0 EGABLO CCN(Cc1ccccc1)C(=O)c1cc(C)nc([C@H]2CCC[N@H+]2C)n1 ZINC000257237387 244231286 /nfs/dbraw/zinc/23/12/86/244231286.db2.gz HGGARWRQNIZSBZ-GOSISDBHSA-N 1 2 338.455 3.214 40 0 EGABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2c2cc(C)ncn2)n1 ZINC000072355694 203204147 /nfs/dbraw/zinc/20/41/47/203204147.db2.gz NRWAZFPKLLRALA-MRXNPFEDSA-N 1 2 334.427 3.270 40 0 EGABLO CCc1nnc(Nc2cnc([C@H]3CCC[N@H+](CC(C)C)C3)cn2)s1 ZINC000072361594 203206778 /nfs/dbraw/zinc/20/67/78/203206778.db2.gz GSDYIWDIFUOUIY-ZDUSSCGKSA-N 1 2 346.504 3.470 40 0 EGABLO CCc1nnc(Nc2cnc([C@H]3CCC[N@@H+](CC(C)C)C3)cn2)s1 ZINC000072361594 203206781 /nfs/dbraw/zinc/20/67/81/203206781.db2.gz GSDYIWDIFUOUIY-ZDUSSCGKSA-N 1 2 346.504 3.470 40 0 EGABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)C1(c2ccccc2F)CC1 ZINC000130834583 205261268 /nfs/dbraw/zinc/26/12/68/205261268.db2.gz YCIIXXRHQQWUKF-OAHLLOKOSA-N 1 2 339.414 3.038 40 0 EGABLO C[C@@H](NC(=O)NC1CCSCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096440518 218822146 /nfs/dbraw/zinc/82/21/46/218822146.db2.gz BSABNONRXGXBFA-CYBMUJFWSA-N 1 2 330.457 3.128 40 0 EGABLO Cc1cc(F)c(C[NH+]2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)c(Cl)c1 ZINC000263520787 141055991 /nfs/dbraw/zinc/05/59/91/141055991.db2.gz QVHIUAJNELZYJV-ZDUSSCGKSA-N 1 2 342.842 3.158 40 0 EGABLO Cc1cc(F)c(C[NH+]2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)c(Cl)c1 ZINC000263520787 141055992 /nfs/dbraw/zinc/05/59/92/141055992.db2.gz QVHIUAJNELZYJV-ZDUSSCGKSA-N 1 2 342.842 3.158 40 0 EGABLO Cc1cc(F)c(C[N@H+]2CCC[C@H]([NH+](C)CC(=O)[O-])CC2)c(Cl)c1 ZINC000263520787 141055993 /nfs/dbraw/zinc/05/59/93/141055993.db2.gz QVHIUAJNELZYJV-ZDUSSCGKSA-N 1 2 342.842 3.158 40 0 EGABLO Cc1cc(F)c(C[N@@H+]2CCC[C@H]([NH+](C)CC(=O)[O-])CC2)c(Cl)c1 ZINC000263520787 141055994 /nfs/dbraw/zinc/05/59/94/141055994.db2.gz QVHIUAJNELZYJV-ZDUSSCGKSA-N 1 2 342.842 3.158 40 0 EGABLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCc1cnc(C)s1 ZINC000281363715 275543573 /nfs/dbraw/zinc/54/35/73/275543573.db2.gz BZESQEQEUYCLTJ-CQSZACIVSA-N 1 2 333.461 3.105 40 0 EGABLO C[C@H]1C[C@H](NC(=O)Nc2nc(C3CCOCC3)cs2)c2[nH+]ccn21 ZINC000333183539 308852360 /nfs/dbraw/zinc/85/23/60/308852360.db2.gz MJOHREIWRGDLRI-JQWIXIFHSA-N 1 2 347.444 3.061 40 0 EGABLO CC[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000097374029 323215408 /nfs/dbraw/zinc/21/54/08/323215408.db2.gz BZZMJZFDHNQCFP-GHMZBOCLSA-N 1 2 349.422 3.461 40 0 EGABLO O=C(CN1c2ccccc2N2CC[NH+]=C12)C12CC3CC(CC(C3)C1)C2 ZINC000003829124 452786170 /nfs/dbraw/zinc/78/61/70/452786170.db2.gz QPTPYBWBEOHUNO-UHFFFAOYSA-N 1 2 335.451 3.468 40 0 EGABLO C[C@@H]1CCC[N@H+](Cc2nnnn2-c2ccc(Cl)c(Cl)c2)C1 ZINC000004129615 452795546 /nfs/dbraw/zinc/79/55/46/452795546.db2.gz FKJYIZVTNKFGPS-SNVBAGLBSA-N 1 2 326.231 3.201 40 0 EGABLO C[C@@H]1CCC[N@@H+](Cc2nnnn2-c2ccc(Cl)c(Cl)c2)C1 ZINC000004129615 452795556 /nfs/dbraw/zinc/79/55/56/452795556.db2.gz FKJYIZVTNKFGPS-SNVBAGLBSA-N 1 2 326.231 3.201 40 0 EGABLO C[NH+]1CCN(C(=O)CSCc2c(Cl)cccc2Cl)CC1 ZINC000008091762 453159070 /nfs/dbraw/zinc/15/90/70/453159070.db2.gz JXPNQXAHWWCJCO-UHFFFAOYSA-N 1 2 333.284 3.001 40 0 EGABLO O=c1[nH]c2ccccc2cc1CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000019376186 453656054 /nfs/dbraw/zinc/65/60/54/453656054.db2.gz ADAITVVOLWGRLP-UHFFFAOYSA-N 1 2 349.434 3.101 40 0 EGABLO CC(=O)c1cccc(NC(=O)CSc2[nH+]cc3ccccn32)c1 ZINC000024763623 453746669 /nfs/dbraw/zinc/74/66/69/453746669.db2.gz XQKLJISCJKFJNK-UHFFFAOYSA-N 1 2 325.393 3.268 40 0 EGABLO CCOC(=O)c1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000038834497 453942141 /nfs/dbraw/zinc/94/21/41/453942141.db2.gz YOORPMZKEJNBAC-UHFFFAOYSA-N 1 2 349.390 3.360 40 0 EGABLO O=C(COc1ccc(Cl)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000044850494 454122499 /nfs/dbraw/zinc/12/24/99/454122499.db2.gz ZIRSJLKFACMPSW-UHFFFAOYSA-N 1 2 341.798 3.221 40 0 EGABLO CC[C@@H](c1nnnn1C(C)C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670128 454140087 /nfs/dbraw/zinc/14/00/87/454140087.db2.gz JOTYNHPHMBNYBJ-KRWDZBQOSA-N 1 2 342.491 3.144 40 0 EGABLO [NH3+][C@H](Cc1ccccc1)c1nnc(COc2ccc(Cl)cc2)[nH]1 ZINC000095534827 454231091 /nfs/dbraw/zinc/23/10/91/454231091.db2.gz BLXLJBCTHLBKKE-OAHLLOKOSA-N 1 2 328.803 3.280 40 0 EGABLO Fc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)cc1 ZINC000096041642 454267063 /nfs/dbraw/zinc/26/70/63/454267063.db2.gz ROOFDUBWGLOSLP-XUVXKRRUSA-N 1 2 349.446 3.001 40 0 EGABLO Fc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)cc1 ZINC000096041642 454267066 /nfs/dbraw/zinc/26/70/66/454267066.db2.gz ROOFDUBWGLOSLP-XUVXKRRUSA-N 1 2 349.446 3.001 40 0 EGABLO CCOC[C@@H]1C[N@H+](Cc2ccc(C)o2)Cc2cn(CC3CC3)nc21 ZINC000096059964 454276689 /nfs/dbraw/zinc/27/66/89/454276689.db2.gz SELKSOLUUIWVPP-KRWDZBQOSA-N 1 2 329.444 3.330 40 0 EGABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C)o2)Cc2cn(CC3CC3)nc21 ZINC000096059964 454276691 /nfs/dbraw/zinc/27/66/91/454276691.db2.gz SELKSOLUUIWVPP-KRWDZBQOSA-N 1 2 329.444 3.330 40 0 EGABLO CCn1cc2c(n1)C[N@@H+](CCOc1ccc(Cl)cc1)C[C@H]2COC ZINC000096068692 454278171 /nfs/dbraw/zinc/27/81/71/454278171.db2.gz YXGRKQLLYHNEPO-AWEZNQCLSA-N 1 2 349.862 3.181 40 0 EGABLO CCn1cc2c(n1)C[N@H+](CCOc1ccc(Cl)cc1)C[C@H]2COC ZINC000096068692 454278173 /nfs/dbraw/zinc/27/81/73/454278173.db2.gz YXGRKQLLYHNEPO-AWEZNQCLSA-N 1 2 349.862 3.181 40 0 EGABLO CCOC[C@H]1c2c(cnn2CC2CC2)CC[N@H+]1Cc1scnc1C ZINC000096197888 454301244 /nfs/dbraw/zinc/30/12/44/454301244.db2.gz GFXLOPQMTBMNOJ-INIZCTEOSA-N 1 2 346.500 3.194 40 0 EGABLO CCOC[C@H]1c2c(cnn2CC2CC2)CC[N@@H+]1Cc1scnc1C ZINC000096197888 454301250 /nfs/dbraw/zinc/30/12/50/454301250.db2.gz GFXLOPQMTBMNOJ-INIZCTEOSA-N 1 2 346.500 3.194 40 0 EGABLO CN(Cc1ccco1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000096418068 454334243 /nfs/dbraw/zinc/33/42/43/454334243.db2.gz QMQMOTOOJAVBIB-UHFFFAOYSA-N 1 2 340.383 3.219 40 0 EGABLO C[C@H](c1cccnc1)[NH+]1CCN(C[C@@H]2OCCc3ccccc32)CC1 ZINC000096424301 454337922 /nfs/dbraw/zinc/33/79/22/454337922.db2.gz NZSOVVZNEIOMTQ-UTKZUKDTSA-N 1 2 337.467 3.074 40 0 EGABLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000096424476 454338711 /nfs/dbraw/zinc/33/87/11/454338711.db2.gz HLJHEGSPKAHPPU-KRWDZBQOSA-N 1 2 325.412 3.002 40 0 EGABLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000096424476 454338715 /nfs/dbraw/zinc/33/87/15/454338715.db2.gz HLJHEGSPKAHPPU-KRWDZBQOSA-N 1 2 325.412 3.002 40 0 EGABLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)ccc1F ZINC000079353492 454400731 /nfs/dbraw/zinc/40/07/31/454400731.db2.gz GEGSPETXGMEXPU-OAHLLOKOSA-N 1 2 327.403 3.048 40 0 EGABLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)ccc1F ZINC000079353486 454401294 /nfs/dbraw/zinc/40/12/94/454401294.db2.gz GEGSPETXGMEXPU-HNNXBMFYSA-N 1 2 327.403 3.048 40 0 EGABLO C[C@@H](C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)CS(C)(=O)=O ZINC000162232064 454760930 /nfs/dbraw/zinc/76/09/30/454760930.db2.gz RFYLRZMHAGPACL-GXTWGEPZSA-N 1 2 338.498 3.114 40 0 EGABLO C[C@@H](C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)CS(C)(=O)=O ZINC000162232064 454760931 /nfs/dbraw/zinc/76/09/31/454760931.db2.gz RFYLRZMHAGPACL-GXTWGEPZSA-N 1 2 338.498 3.114 40 0 EGABLO COc1cc(CN(C)C(=O)c2ccc3[nH+]ccn3c2)ccc1SC ZINC000171166664 455039829 /nfs/dbraw/zinc/03/98/29/455039829.db2.gz AILFNXRJFAZEQA-UHFFFAOYSA-N 1 2 341.436 3.337 40 0 EGABLO O=C(CCc1ccccc1)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000244950785 455278402 /nfs/dbraw/zinc/27/84/02/455278402.db2.gz FLNMWKJCUSWGTB-QGZVFWFLSA-N 1 2 344.480 3.119 40 0 EGABLO C[C@@H](c1cnccn1)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000184470379 455386668 /nfs/dbraw/zinc/38/66/68/455386668.db2.gz LZDPHXOIPRNFSM-AWEZNQCLSA-N 1 2 344.846 3.039 40 0 EGABLO C[C@@H](c1cnccn1)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000184470379 455386671 /nfs/dbraw/zinc/38/66/71/455386671.db2.gz LZDPHXOIPRNFSM-AWEZNQCLSA-N 1 2 344.846 3.039 40 0 EGABLO FC(F)(F)c1ccccc1[C@H]1C[N@H+](CC2=CCCOC2)CCO1 ZINC000182386369 455502630 /nfs/dbraw/zinc/50/26/30/455502630.db2.gz LRVOJSUHILITMC-MRXNPFEDSA-N 1 2 327.346 3.425 40 0 EGABLO FC(F)(F)c1ccccc1[C@H]1C[N@@H+](CC2=CCCOC2)CCO1 ZINC000182386369 455502637 /nfs/dbraw/zinc/50/26/37/455502637.db2.gz LRVOJSUHILITMC-MRXNPFEDSA-N 1 2 327.346 3.425 40 0 EGABLO COc1ccc2[nH]cc(C(=O)N3CCC[C@H](c4[nH]cc(C)[nH+]4)C3)c2c1 ZINC000257297807 455885165 /nfs/dbraw/zinc/88/51/65/455885165.db2.gz RIWJYRIHABOACO-ZDUSSCGKSA-N 1 2 338.411 3.228 40 0 EGABLO Cc1noc2ncnc(NCc3ccc(N4CCC(C)CC4)[nH+]c3)c12 ZINC000195509279 455973034 /nfs/dbraw/zinc/97/30/34/455973034.db2.gz PLXUMHSPNDAKIW-UHFFFAOYSA-N 1 2 338.415 3.170 40 0 EGABLO O=C(NC1CC[NH+](Cc2cscn2)CC1)N1CCC[C@H]1C1CCC1 ZINC000195529910 455980401 /nfs/dbraw/zinc/98/04/01/455980401.db2.gz OVCUSQIJPSJOJB-KRWDZBQOSA-N 1 2 348.516 3.082 40 0 EGABLO O=C([C@H]1C[C@H]1c1ccc(F)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000195539009 455981534 /nfs/dbraw/zinc/98/15/34/455981534.db2.gz LQDYXUFLKHCOPH-SQNIBIBYSA-N 1 2 326.371 3.004 40 0 EGABLO Cc1ccc([C@](C)(O)C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)o1 ZINC000188071285 455991204 /nfs/dbraw/zinc/99/12/04/455991204.db2.gz UBSSOXKOQXQLOG-SJLPKXTDSA-N 1 2 329.375 3.037 40 0 EGABLO C[C@H]1C[N@H+](CCSc2nnc(-c3ccccc3Cl)o2)CCO1 ZINC000188314613 456041979 /nfs/dbraw/zinc/04/19/79/456041979.db2.gz AHPIGSPISSUNKY-NSHDSACASA-N 1 2 339.848 3.203 40 0 EGABLO C[C@H]1C[N@@H+](CCSc2nnc(-c3ccccc3Cl)o2)CCO1 ZINC000188314613 456041988 /nfs/dbraw/zinc/04/19/88/456041988.db2.gz AHPIGSPISSUNKY-NSHDSACASA-N 1 2 339.848 3.203 40 0 EGABLO O=C(c1cnco1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000224060998 456063283 /nfs/dbraw/zinc/06/32/83/456063283.db2.gz XSUFOAQHCZUEJH-UHFFFAOYSA-N 1 2 347.418 3.222 40 0 EGABLO Cc1nc(-c2ccc(C(=O)N3CC[C@H](c4[nH]cc[nH+]4)C3)cc2)cs1 ZINC000585140853 459829513 /nfs/dbraw/zinc/82/95/13/459829513.db2.gz LTOGCKXUJULKOM-HNNXBMFYSA-N 1 2 338.436 3.471 40 0 EGABLO CCc1[nH+]ccn1-c1ccc(C(=O)N[C@@H]2CCc3ccccc32)cn1 ZINC000585182374 459831399 /nfs/dbraw/zinc/83/13/99/459831399.db2.gz XBAMQGSKGHQAIP-QGZVFWFLSA-N 1 2 332.407 3.247 40 0 EGABLO Cn1cc[nH+]c1[C@H](NC(=O)CCC(=O)c1ccccc1)c1ccccc1 ZINC000029067089 527463564 /nfs/dbraw/zinc/46/35/64/527463564.db2.gz FGPUMOZWZBUWEK-HXUWFJFHSA-N 1 2 347.418 3.289 40 0 EGABLO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCn1cc[nH+]c1 ZINC000223520028 536046938 /nfs/dbraw/zinc/04/69/38/536046938.db2.gz OFOLBFGVPGBBHU-IBGZPJMESA-N 1 2 341.455 3.126 40 0 EGABLO Cc1n[nH]cc1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1cnn(C(C)(C)C)c1 ZINC000685938901 550456444 /nfs/dbraw/zinc/45/64/44/550456444.db2.gz XOERMCRLUQUKKD-KRWDZBQOSA-N 1 2 343.475 3.023 40 0 EGABLO Cc1n[nH]cc1C[N@H+]1CC2(CCOCC2)[C@@H]1c1cnn(C(C)(C)C)c1 ZINC000685938901 550456446 /nfs/dbraw/zinc/45/64/46/550456446.db2.gz XOERMCRLUQUKKD-KRWDZBQOSA-N 1 2 343.475 3.023 40 0 EGABLO Cc1[nH+]c([C@H]2CCCN(C(=O)c3cscn3)C2)c2sccn12 ZINC000019240783 202001237 /nfs/dbraw/zinc/00/12/37/202001237.db2.gz BPWUXACFTCQENA-NSHDSACASA-N 1 2 332.454 3.181 40 0 EGABLO Fc1cccc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3cnccn3)o2)c1F ZINC000019292737 202003373 /nfs/dbraw/zinc/00/33/73/202003373.db2.gz CNVPPWUEIRCMEJ-CQSZACIVSA-N 1 2 343.337 3.142 40 0 EGABLO Fc1cccc(C[N@H+]2CCC[C@@H]2c2nnc(-c3cnccn3)o2)c1F ZINC000019292737 202003376 /nfs/dbraw/zinc/00/33/76/202003376.db2.gz CNVPPWUEIRCMEJ-CQSZACIVSA-N 1 2 343.337 3.142 40 0 EGABLO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCN1C(=O)c1ccco1 ZINC000019451487 202007313 /nfs/dbraw/zinc/00/73/13/202007313.db2.gz HUUGKOOEDIONRV-QGZVFWFLSA-N 1 2 330.403 3.401 40 0 EGABLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCN1C(=O)c1ccco1 ZINC000019451487 202007315 /nfs/dbraw/zinc/00/73/15/202007315.db2.gz HUUGKOOEDIONRV-QGZVFWFLSA-N 1 2 330.403 3.401 40 0 EGABLO Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3[nH]cc[nH+]3)n2)cc1 ZINC000067898553 202048014 /nfs/dbraw/zinc/04/80/14/202048014.db2.gz SVRVUJUSYHZBNN-HNNXBMFYSA-N 1 2 343.818 3.027 40 0 biogenic,in-vitro EGABLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCCO2 ZINC000032679644 202229744 /nfs/dbraw/zinc/22/97/44/202229744.db2.gz PEWNKYSVEOKVFM-CYBMUJFWSA-N 1 2 337.379 3.359 40 0 EGABLO Cc1cccn2cc(CNC(=O)[C@H]3CCCc4c(O)cccc43)[nH+]c12 ZINC000190328403 238392301 /nfs/dbraw/zinc/39/23/01/238392301.db2.gz DYVKTOMBEWVPJB-KRWDZBQOSA-N 1 2 335.407 3.085 40 0 EGABLO CCOc1cccc(N2C(=O)C[C@H](n3c(C)[nH+]c4ccccc43)C2=O)c1 ZINC000002728013 201541529 /nfs/dbraw/zinc/54/15/29/201541529.db2.gz VPEJGHVHAAOKFG-SFHVURJKSA-N 1 2 349.390 3.248 40 0 EGABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(Cc2ccncc2)CC1 ZINC000257206463 244137126 /nfs/dbraw/zinc/13/71/26/244137126.db2.gz BDONAMVFLJCXQG-UHFFFAOYSA-N 1 2 348.450 3.221 40 0 EGABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2n[nH]c3ccccc32)cc[nH+]1 ZINC000257238666 244236772 /nfs/dbraw/zinc/23/67/72/244236772.db2.gz HLZIUXQXDMYQLA-MRXNPFEDSA-N 1 2 335.411 3.001 40 0 EGABLO Cc1cc(N2CCC[C@@H]2c2ccnc(Nc3ncccn3)c2)nc[nH+]1 ZINC000257269589 244374699 /nfs/dbraw/zinc/37/46/99/244374699.db2.gz MQOQRHPJPFHVCM-OAHLLOKOSA-N 1 2 333.399 3.055 40 0 EGABLO CCc1nnc(Nc2cccc([C@@H]3C[N@@H+](C(C)C)CCO3)n2)s1 ZINC000257273651 244387195 /nfs/dbraw/zinc/38/71/95/244387195.db2.gz NHPFLIAMCMVTFL-ZDUSSCGKSA-N 1 2 333.461 3.021 40 0 EGABLO CCc1nnc(Nc2cccc([C@@H]3C[N@H+](C(C)C)CCO3)n2)s1 ZINC000257273651 244387200 /nfs/dbraw/zinc/38/72/00/244387200.db2.gz NHPFLIAMCMVTFL-ZDUSSCGKSA-N 1 2 333.461 3.021 40 0 EGABLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCc1[nH+]ccn1C ZINC000095440269 218384481 /nfs/dbraw/zinc/38/44/81/218384481.db2.gz AVCFOBLFNWNBHE-LBPRGKRZSA-N 1 2 335.477 3.211 40 0 EGABLO C[N@H+](Cc1cscn1)[C@H](CO)c1cccc(Br)c1 ZINC000096487671 218865591 /nfs/dbraw/zinc/86/55/91/218865591.db2.gz GSBLNBTUKZNPLW-CYBMUJFWSA-N 1 2 327.247 3.071 40 0 EGABLO C[N@@H+](Cc1cscn1)[C@H](CO)c1cccc(Br)c1 ZINC000096487671 218865592 /nfs/dbraw/zinc/86/55/92/218865592.db2.gz GSBLNBTUKZNPLW-CYBMUJFWSA-N 1 2 327.247 3.071 40 0 EGABLO CCc1ncc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cn1 ZINC000097378709 219020094 /nfs/dbraw/zinc/02/00/94/219020094.db2.gz VLGOEYBCSJFWBI-CYBMUJFWSA-N 1 2 345.472 3.011 40 0 EGABLO Cn1cc(CN(Cc2c[nH+]cn2C)Cc2ccc(Cl)cc2)cn1 ZINC000390835814 324284286 /nfs/dbraw/zinc/28/42/86/324284286.db2.gz YXOIMNQKOVLPOU-UHFFFAOYSA-N 1 2 329.835 3.009 40 0 EGABLO CC(C)c1noc([C@@H]2Cc3[nH+]c[nH]c3CN2Cc2ccc(F)cc2)n1 ZINC000015675720 453582319 /nfs/dbraw/zinc/58/23/19/453582319.db2.gz FBLUPNXRUJCUHO-INIZCTEOSA-N 1 2 341.390 3.355 40 0 biogenic,in-vitro EGABLO COc1ccccc1C1(O)CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000053536618 453885055 /nfs/dbraw/zinc/88/50/55/453885055.db2.gz ZKAJUEFTEGZKRA-UHFFFAOYSA-N 1 2 337.423 3.055 40 0 EGABLO C=Cn1cc(C[N@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)c(C)n1 ZINC000057811356 454147985 /nfs/dbraw/zinc/14/79/85/454147985.db2.gz SVPCSSFRSJZYRL-IBGZPJMESA-N 1 2 341.455 3.482 40 0 EGABLO C=Cn1cc(C[N@@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)c(C)n1 ZINC000057811356 454147990 /nfs/dbraw/zinc/14/79/90/454147990.db2.gz SVPCSSFRSJZYRL-IBGZPJMESA-N 1 2 341.455 3.482 40 0 EGABLO CCOC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ncn(CC3CC3)c21 ZINC000096045114 454267646 /nfs/dbraw/zinc/26/76/46/454267646.db2.gz ZWQASEOXQYEUJP-INIZCTEOSA-N 1 2 331.485 3.491 40 0 EGABLO CCOC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ncn(CC3CC3)c21 ZINC000096045114 454267652 /nfs/dbraw/zinc/26/76/52/454267652.db2.gz ZWQASEOXQYEUJP-INIZCTEOSA-N 1 2 331.485 3.491 40 0 EGABLO CCOC[C@@H]1CN(Cc2ccsc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045114 454267654 /nfs/dbraw/zinc/26/76/54/454267654.db2.gz ZWQASEOXQYEUJP-INIZCTEOSA-N 1 2 331.485 3.491 40 0 EGABLO c1cc(C[N@H+]2CCc3c(COCc4cccnc4)cncc3C2)co1 ZINC000096189423 454299470 /nfs/dbraw/zinc/29/94/70/454299470.db2.gz FBFJJBNMZNWKMC-UHFFFAOYSA-N 1 2 335.407 3.345 40 0 EGABLO c1cc(C[N@@H+]2CCc3c(COCc4cccnc4)cncc3C2)co1 ZINC000096189423 454299472 /nfs/dbraw/zinc/29/94/72/454299472.db2.gz FBFJJBNMZNWKMC-UHFFFAOYSA-N 1 2 335.407 3.345 40 0 EGABLO C[N@@H+](Cc1cn2c(n1)CN(Cc1ccccc1)CC2)Cc1ccco1 ZINC000096197468 454301519 /nfs/dbraw/zinc/30/15/19/454301519.db2.gz NQMIYYGIILDNDB-UHFFFAOYSA-N 1 2 336.439 3.124 40 0 EGABLO C[N@H+](Cc1cn2c(n1)CN(Cc1ccccc1)CC2)Cc1ccco1 ZINC000096197468 454301524 /nfs/dbraw/zinc/30/15/24/454301524.db2.gz NQMIYYGIILDNDB-UHFFFAOYSA-N 1 2 336.439 3.124 40 0 EGABLO Cc1cc([C@@H](C)C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C)o1 ZINC000096408083 454326449 /nfs/dbraw/zinc/32/64/49/454326449.db2.gz RJLOWEBCMHBQEU-OAHLLOKOSA-N 1 2 342.439 3.471 40 0 EGABLO O=C(Nc1cc(F)c(F)cc1F)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000096410117 454328030 /nfs/dbraw/zinc/32/80/30/454328030.db2.gz NOQKTZKCLVLCIK-QGZVFWFLSA-N 1 2 349.356 3.492 40 0 EGABLO O=C(Nc1cc(F)c(F)cc1F)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000096410117 454328037 /nfs/dbraw/zinc/32/80/37/454328037.db2.gz NOQKTZKCLVLCIK-QGZVFWFLSA-N 1 2 349.356 3.492 40 0 EGABLO COc1c(C)c[nH+]c(CSc2nnc(-c3ccco3)n2C)c1C ZINC000096411896 454328962 /nfs/dbraw/zinc/32/89/62/454328962.db2.gz LYUZJOIQIBJUPB-UHFFFAOYSA-N 1 2 330.413 3.388 40 0 EGABLO CCOc1c(F)cccc1C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000096430566 454341666 /nfs/dbraw/zinc/34/16/66/454341666.db2.gz QQGCQYFXUAXMFP-UHFFFAOYSA-N 1 2 326.331 3.057 40 0 EGABLO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1csc(CS(C)(=O)=O)n1 ZINC000096443517 454352193 /nfs/dbraw/zinc/35/21/93/454352193.db2.gz ULYMKIGUOKVRFT-JSGCOSHPSA-N 1 2 330.519 3.088 40 0 EGABLO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1csc(CS(C)(=O)=O)n1 ZINC000096443517 454352196 /nfs/dbraw/zinc/35/21/96/454352196.db2.gz ULYMKIGUOKVRFT-JSGCOSHPSA-N 1 2 330.519 3.088 40 0 EGABLO O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000096468593 454360990 /nfs/dbraw/zinc/36/09/90/454360990.db2.gz LQDYXUFLKHCOPH-OKZBNKHCSA-N 1 2 326.371 3.004 40 0 EGABLO Cc1cc(NS(=O)(=O)c2c(F)cccc2Br)cc[nH+]1 ZINC000096469241 454361263 /nfs/dbraw/zinc/36/12/63/454361263.db2.gz ZTWSQBVXNAQTCU-UHFFFAOYSA-N 1 2 345.193 3.092 40 0 EGABLO Fc1cccnc1O[C@H]1CCOC2(C[NH+](Cc3ccccc3)C2)C1 ZINC000247510684 455615588 /nfs/dbraw/zinc/61/55/88/455615588.db2.gz IIPPJZDFKMNDTE-INIZCTEOSA-N 1 2 328.387 3.033 40 0 EGABLO Fc1cccc(C[NH+]2CC3(C2)C[C@H](OCc2ccncc2)CCO3)c1 ZINC000247524121 455618439 /nfs/dbraw/zinc/61/84/39/455618439.db2.gz MNPQLNVYSWUEMT-LJQANCHMSA-N 1 2 342.414 3.171 40 0 EGABLO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nnn(CC(F)(F)F)n1 ZINC000252507440 455816432 /nfs/dbraw/zinc/81/64/32/455816432.db2.gz WLULMYFMSZGJBW-AWEZNQCLSA-N 1 2 345.344 3.204 40 0 EGABLO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnn(CC(F)(F)F)n1 ZINC000252507440 455816435 /nfs/dbraw/zinc/81/64/35/455816435.db2.gz WLULMYFMSZGJBW-AWEZNQCLSA-N 1 2 345.344 3.204 40 0 EGABLO O[C@H]1C[C@H](c2ccccc2C(F)(F)F)[N@H+](Cc2cncs2)C1 ZINC000253417151 455842423 /nfs/dbraw/zinc/84/24/23/455842423.db2.gz XSFYAAXQVNQECX-IINYFYTJSA-N 1 2 328.359 3.470 40 0 EGABLO O[C@H]1C[C@H](c2ccccc2C(F)(F)F)[N@@H+](Cc2cncs2)C1 ZINC000253417151 455842428 /nfs/dbraw/zinc/84/24/28/455842428.db2.gz XSFYAAXQVNQECX-IINYFYTJSA-N 1 2 328.359 3.470 40 0 EGABLO c1nc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)cs1 ZINC000257262569 455880604 /nfs/dbraw/zinc/88/06/04/455880604.db2.gz LLXYRKKACWFEKZ-HNNXBMFYSA-N 1 2 338.440 3.409 40 0 EGABLO c1nc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)cs1 ZINC000257262569 455880606 /nfs/dbraw/zinc/88/06/06/455880606.db2.gz LLXYRKKACWFEKZ-HNNXBMFYSA-N 1 2 338.440 3.409 40 0 EGABLO CC(C)n1ncc2ccc(NC(=O)NCCCn3cc[nH+]c3)cc21 ZINC000194784076 455882355 /nfs/dbraw/zinc/88/23/55/455882355.db2.gz HHHLQQNWWVDLCE-UHFFFAOYSA-N 1 2 326.404 3.026 40 0 EGABLO Cc1nc(C)c(C(=O)N2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)s1 ZINC000257287608 455882499 /nfs/dbraw/zinc/88/24/99/455882499.db2.gz PQRQWTCFJYFZFD-OAHLLOKOSA-N 1 2 338.436 3.354 40 0 EGABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCCC[N@@H+]2Cc2cc[nH]n2)n1 ZINC000257298370 455884846 /nfs/dbraw/zinc/88/48/46/455884846.db2.gz RLJOLQNJQWSPNY-QGZVFWFLSA-N 1 2 349.442 3.374 40 0 EGABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCCC[N@H+]2Cc2cc[nH]n2)n1 ZINC000257298370 455884852 /nfs/dbraw/zinc/88/48/52/455884852.db2.gz RLJOLQNJQWSPNY-QGZVFWFLSA-N 1 2 349.442 3.374 40 0 EGABLO Cc1nccnc1CC[C@@H]1COCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000257295765 455885008 /nfs/dbraw/zinc/88/50/08/455885008.db2.gz QZSOSTOIDUHOCX-LJQANCHMSA-N 1 2 348.450 3.167 40 0 EGABLO Cc1nccnc1CC[C@@H]1COCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000257295765 455885011 /nfs/dbraw/zinc/88/50/11/455885011.db2.gz QZSOSTOIDUHOCX-LJQANCHMSA-N 1 2 348.450 3.167 40 0 EGABLO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2F)n1 ZINC000257328016 455892987 /nfs/dbraw/zinc/89/29/87/455892987.db2.gz XDTXZRAZXAFSEI-SFHVURJKSA-N 1 2 345.393 3.333 40 0 EGABLO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2F)n1 ZINC000257328016 455892998 /nfs/dbraw/zinc/89/29/98/455892998.db2.gz XDTXZRAZXAFSEI-SFHVURJKSA-N 1 2 345.393 3.333 40 0 EGABLO O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000195539005 455981595 /nfs/dbraw/zinc/98/15/95/455981595.db2.gz LQDYXUFLKHCOPH-KURKYZTESA-N 1 2 326.371 3.004 40 0 EGABLO O=C([C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CCCC1 ZINC000022277691 546524415 /nfs/dbraw/zinc/52/44/15/546524415.db2.gz YFHYXJWGUSZPSC-SFHVURJKSA-N 1 2 326.465 3.470 40 0 EGABLO O=C([C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CCCC1 ZINC000022277691 546524421 /nfs/dbraw/zinc/52/44/21/546524421.db2.gz YFHYXJWGUSZPSC-SFHVURJKSA-N 1 2 326.465 3.470 40 0 EGABLO C[C@@H]1CCCC[C@H]1OCC(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000079040079 546590735 /nfs/dbraw/zinc/59/07/35/546590735.db2.gz ORSHXUHKJATBEK-SJLPKXTDSA-N 1 2 345.487 3.104 40 0 EGABLO CC(C)(C)NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(O)cc1 ZINC000199427232 1296088239 /nfs/dbraw/zinc/08/82/39/1296088239.db2.gz MIGSKVNSBIJJER-LJQANCHMSA-N 1 2 338.451 3.234 40 0 EGABLO CC(C)(C)NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(O)cc1 ZINC000199427232 1296088247 /nfs/dbraw/zinc/08/82/47/1296088247.db2.gz MIGSKVNSBIJJER-LJQANCHMSA-N 1 2 338.451 3.234 40 0 EGABLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000067161610 215118830 /nfs/dbraw/zinc/11/88/30/215118830.db2.gz GDSMFQGWOVAFFA-PMACEKPBSA-N 1 2 349.409 3.490 40 0 EGABLO O=C1NC2(CC[NH+](Cc3cc(F)ccc3F)CC2)Nc2ccccc21 ZINC000019374670 202007132 /nfs/dbraw/zinc/00/71/32/202007132.db2.gz PUQJMSHYGDACDW-UHFFFAOYSA-N 1 2 343.377 3.112 40 0 EGABLO COc1cccc(OCCCn2c[nH+]cc2-c2cn(C)nc2C)c1 ZINC000019719516 202017426 /nfs/dbraw/zinc/01/74/26/202017426.db2.gz GIBNDQXTNMAIHQ-UHFFFAOYSA-N 1 2 326.400 3.070 40 0 EGABLO CC(C)Oc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020512209 202047022 /nfs/dbraw/zinc/04/70/22/202047022.db2.gz FEOWVBMJIZBGOH-UHFFFAOYSA-N 1 2 338.451 3.432 40 0 EGABLO CCS(=O)(=O)Nc1cc(-c2cn3cccc(C)c3[nH+]2)ccc1C ZINC000021173420 202063398 /nfs/dbraw/zinc/06/33/98/202063398.db2.gz SXAGRNPNCYPIBL-UHFFFAOYSA-N 1 2 329.425 3.380 40 0 EGABLO O=C(Cc1noc2ccccc12)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025173725 202127964 /nfs/dbraw/zinc/12/79/64/202127964.db2.gz LBNDDQCJOFQDMP-UHFFFAOYSA-N 1 2 332.363 3.254 40 0 EGABLO COc1ccc(CC(=O)Nc2cccc(Cn3cc[nH+]c3)c2)cc1F ZINC000025173284 202128054 /nfs/dbraw/zinc/12/80/54/202128054.db2.gz MRJRFBPYRVTGAY-UHFFFAOYSA-N 1 2 339.370 3.260 40 0 EGABLO CNc1cc([C@H]2CCCN2C(=O)c2ccc3[nH]c(C)nc3c2)cc[nH+]1 ZINC000257244641 244252934 /nfs/dbraw/zinc/25/29/34/244252934.db2.gz IMENWKBUJDBQAE-QGZVFWFLSA-N 1 2 335.411 3.285 40 0 EGABLO COc1ccc([C@H]2Nc3cc(Cl)ccc3C3=[NH+]CCN32)cc1CO ZINC000072342089 203203185 /nfs/dbraw/zinc/20/31/85/203203185.db2.gz LWFFXOZYTVLIBW-KRWDZBQOSA-N 1 2 343.814 3.027 40 0 EGABLO CC(C)(C)CC(C)(C)NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000073785130 203272913 /nfs/dbraw/zinc/27/29/13/203272913.db2.gz REHHWAUNNRRSOM-UHFFFAOYSA-N 1 2 332.488 3.463 40 0 EGABLO COc1ccc(C[NH+]2[C@@H](C)COC[C@@H]2C)cc1OCc1cccnc1 ZINC000093607292 203367948 /nfs/dbraw/zinc/36/79/48/203367948.db2.gz PETLJJSCVXBVNX-HOTGVXAUSA-N 1 2 342.439 3.278 40 0 EGABLO COc1ccc(/C=C2/SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000019201866 212004056 /nfs/dbraw/zinc/00/40/56/212004056.db2.gz DZBZDIUJLCWYAU-RVDMUPIBSA-N 1 2 332.425 3.175 40 0 EGABLO Nc1ccnc(C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)n1 ZINC000157094712 206116919 /nfs/dbraw/zinc/11/69/19/206116919.db2.gz NLCPCZBKFMZUEE-CYBMUJFWSA-N 1 2 332.835 3.003 40 0 EGABLO Nc1ccnc(C[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)n1 ZINC000157094712 206116925 /nfs/dbraw/zinc/11/69/25/206116925.db2.gz NLCPCZBKFMZUEE-CYBMUJFWSA-N 1 2 332.835 3.003 40 0 EGABLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000012974217 207267076 /nfs/dbraw/zinc/26/70/76/207267076.db2.gz SXMJZDJIWREUPM-SFHVURJKSA-N 1 2 344.842 3.143 40 0 EGABLO CCOC[C@@H]1CN(C(=O)c2cccs2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060330 286153123 /nfs/dbraw/zinc/15/31/23/286153123.db2.gz YHDIKZULVMXVBE-AWEZNQCLSA-N 1 2 345.468 3.131 40 0 EGABLO COC(=O)c1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC000390833438 324283250 /nfs/dbraw/zinc/28/32/50/324283250.db2.gz HLUFUBMAJDDGJN-UHFFFAOYSA-N 1 2 339.326 3.050 40 0 EGABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(C)cc1)C[N@@H+](C)CC2 ZINC000004223472 452796858 /nfs/dbraw/zinc/79/68/58/452796858.db2.gz TVBXUOWCXCMJTG-UHFFFAOYSA-N 1 2 344.436 3.083 40 0 EGABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(C)cc1)C[N@H+](C)CC2 ZINC000004223472 452796867 /nfs/dbraw/zinc/79/68/67/452796867.db2.gz TVBXUOWCXCMJTG-UHFFFAOYSA-N 1 2 344.436 3.083 40 0 EGABLO CCn1c(SC)nnc1[C@@H]1CCC[N@@H+]1Cc1ccc(OC)cc1 ZINC000005001553 452832687 /nfs/dbraw/zinc/83/26/87/452832687.db2.gz OHLDQPGFJJWUPQ-HNNXBMFYSA-N 1 2 332.473 3.366 40 0 EGABLO CCn1c(SC)nnc1[C@@H]1CCC[N@H+]1Cc1ccc(OC)cc1 ZINC000005001553 452832691 /nfs/dbraw/zinc/83/26/91/452832691.db2.gz OHLDQPGFJJWUPQ-HNNXBMFYSA-N 1 2 332.473 3.366 40 0 EGABLO Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000007050182 453022174 /nfs/dbraw/zinc/02/21/74/453022174.db2.gz UJFFUBPUMNDTFT-OAHLLOKOSA-N 1 2 341.436 3.220 40 0 EGABLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N(C)c2ccccc2)c(OC)c1 ZINC000007266279 453051235 /nfs/dbraw/zinc/05/12/35/453051235.db2.gz SAFRYUBGVQMVCO-OAHLLOKOSA-N 1 2 342.439 3.187 40 0 EGABLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(C)c2ccccc2)c(OC)c1 ZINC000007266279 453051240 /nfs/dbraw/zinc/05/12/40/453051240.db2.gz SAFRYUBGVQMVCO-OAHLLOKOSA-N 1 2 342.439 3.187 40 0 EGABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](C[C@H]4CC=CCC4)C3)[nH]n2c1=O ZINC000012276356 453354735 /nfs/dbraw/zinc/35/47/35/453354735.db2.gz CPSVYTXBEBUPBS-JKSUJKDBSA-N 1 2 340.471 3.451 40 0 EGABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](C[C@H]4CC=CCC4)C3)[nH]n2c1=O ZINC000012276356 453354750 /nfs/dbraw/zinc/35/47/50/453354750.db2.gz CPSVYTXBEBUPBS-JKSUJKDBSA-N 1 2 340.471 3.451 40 0 EGABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@H+](Cc2cccs2)C1 ZINC000015674932 453581898 /nfs/dbraw/zinc/58/18/98/453581898.db2.gz CXERPONWVWLDIM-HIFRSBDPSA-N 1 2 345.399 3.245 40 0 biogenic,in-vitro EGABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@@H+](Cc2cccs2)C1 ZINC000015674932 453581902 /nfs/dbraw/zinc/58/19/02/453581902.db2.gz CXERPONWVWLDIM-HIFRSBDPSA-N 1 2 345.399 3.245 40 0 biogenic,in-vitro EGABLO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C ZINC000018214042 453648293 /nfs/dbraw/zinc/64/82/93/453648293.db2.gz PLBCUSAUMXIBBY-UHFFFAOYSA-N 1 2 338.451 3.066 40 0 EGABLO Cc1ccc(C)c(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000053156460 453862552 /nfs/dbraw/zinc/86/25/52/453862552.db2.gz WXKXKGRGCJYRDP-UHFFFAOYSA-N 1 2 340.496 3.213 40 0 EGABLO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000040434248 453949989 /nfs/dbraw/zinc/94/99/89/453949989.db2.gz DGJHYJZGPFLWAI-JTQLQIEISA-N 1 2 331.869 3.286 40 0 EGABLO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000040434248 453949992 /nfs/dbraw/zinc/94/99/92/453949992.db2.gz DGJHYJZGPFLWAI-JTQLQIEISA-N 1 2 331.869 3.286 40 0 EGABLO O=C(Nc1cnn(-c2ccccc2)c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000088390401 454102289 /nfs/dbraw/zinc/10/22/89/454102289.db2.gz YMYROSRNWQTSQA-INIZCTEOSA-N 1 2 336.399 3.355 40 0 EGABLO CC(=O)Nc1cccc(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000095463421 454217484 /nfs/dbraw/zinc/21/74/84/454217484.db2.gz XTLFUGZRHDUWBK-UHFFFAOYSA-N 1 2 335.363 3.188 40 0 EGABLO CCc1ccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)o1 ZINC000096042202 454267924 /nfs/dbraw/zinc/26/79/24/454267924.db2.gz GPFOIEXAKOSHCG-SLFFLAALSA-N 1 2 342.439 3.186 40 0 EGABLO CCc1ccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)o1 ZINC000096042202 454267928 /nfs/dbraw/zinc/26/79/28/454267928.db2.gz GPFOIEXAKOSHCG-SLFFLAALSA-N 1 2 342.439 3.186 40 0 EGABLO CCOC[C@H]1C[N@H+](Cc2ccsc2)Cc2nn(CC3CC3)cc21 ZINC000096060473 454276703 /nfs/dbraw/zinc/27/67/03/454276703.db2.gz FLODZETYOWZNMO-MRXNPFEDSA-N 1 2 331.485 3.491 40 0 EGABLO CCOC[C@H]1C[N@@H+](Cc2ccsc2)Cc2nn(CC3CC3)cc21 ZINC000096060473 454276708 /nfs/dbraw/zinc/27/67/08/454276708.db2.gz FLODZETYOWZNMO-MRXNPFEDSA-N 1 2 331.485 3.491 40 0 EGABLO Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 ZINC000096421927 454336851 /nfs/dbraw/zinc/33/68/51/454336851.db2.gz VFPZFEGQNJRYCO-OAGGEKHMSA-N 1 2 340.427 3.022 40 0 EGABLO CC(=O)Nc1ccc(F)c(NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000096427402 454340087 /nfs/dbraw/zinc/34/00/87/454340087.db2.gz HUTWIWHQJJGLLD-UHFFFAOYSA-N 1 2 330.285 3.155 40 0 EGABLO C[C@@H](NC(=O)Cc1n[nH]c2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432135 454343162 /nfs/dbraw/zinc/34/31/62/454343162.db2.gz AHORZSOTWFARSU-CQSZACIVSA-N 1 2 345.406 3.169 40 0 EGABLO C[C@@H](NC(=O)Cc1noc2ccccc12)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432091 454343652 /nfs/dbraw/zinc/34/36/52/454343652.db2.gz HNCKETLWFWILNL-CQSZACIVSA-N 1 2 346.390 3.433 40 0 EGABLO CCc1cnc(CNC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)s1 ZINC000096434638 454346397 /nfs/dbraw/zinc/34/63/97/454346397.db2.gz ZAEFWCSSRFSBBG-UHFFFAOYSA-N 1 2 341.440 3.428 40 0 EGABLO Cc1ccc(CNC(=O)NCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000096439108 454348480 /nfs/dbraw/zinc/34/84/80/454348480.db2.gz DCXINOWSJXDVJD-UHFFFAOYSA-N 1 2 340.452 3.301 40 0 EGABLO Cc1cnn(-c2ccc([C@H](C)[NH2+][C@@H](C)c3nnc(C)o3)cc2F)c1 ZINC000096437242 454348880 /nfs/dbraw/zinc/34/88/80/454348880.db2.gz PYIJGMDEBHPQCH-RYUDHWBXSA-N 1 2 329.379 3.423 40 0 EGABLO C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000079039514 454358460 /nfs/dbraw/zinc/35/84/60/454358460.db2.gz FKHBKAJMAUZMBS-VQIMIIECSA-N 1 2 346.471 3.053 40 0 EGABLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3nnc(C(C)C)o3)ccc2NC1=O ZINC000096492084 454369798 /nfs/dbraw/zinc/36/97/98/454369798.db2.gz TVPQYJAHYCENHX-SMDDNHRTSA-N 1 2 344.415 3.153 40 0 EGABLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(C)s1 ZINC000079353028 454400633 /nfs/dbraw/zinc/40/06/33/454400633.db2.gz WKVGMYFWWMOGCA-AWEZNQCLSA-N 1 2 329.469 3.279 40 0 EGABLO C[N@H+](C[C@H](O)C(F)(F)F)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000253369390 455835467 /nfs/dbraw/zinc/83/54/67/455835467.db2.gz BZINHXVZBRTDCR-LSDHHAIUSA-N 1 2 328.309 3.165 40 0 EGABLO C[N@@H+](C[C@H](O)C(F)(F)F)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000253369390 455835474 /nfs/dbraw/zinc/83/54/74/455835474.db2.gz BZINHXVZBRTDCR-LSDHHAIUSA-N 1 2 328.309 3.165 40 0 EGABLO COc1ccccc1CC(=O)N1CCC[C@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257279598 455881602 /nfs/dbraw/zinc/88/16/02/455881602.db2.gz OHILJFAZDPRFHW-KRWDZBQOSA-N 1 2 339.439 3.062 40 0 EGABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)[nH+]1 ZINC000257339837 455896209 /nfs/dbraw/zinc/89/62/09/455896209.db2.gz ZDLFCXHGCUQUGU-INIZCTEOSA-N 1 2 334.423 3.297 40 0 EGABLO Cc1ccc([C@](C)(O)C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)o1 ZINC000188071248 455990866 /nfs/dbraw/zinc/99/08/66/455990866.db2.gz UBSSOXKOQXQLOG-FUHWJXTLSA-N 1 2 329.375 3.037 40 0 EGABLO COc1ccccc1COC1CC[NH+](Cc2c(Cl)cnn2C)CC1 ZINC000188327731 456044239 /nfs/dbraw/zinc/04/42/39/456044239.db2.gz KLRWVALWPADXQB-UHFFFAOYSA-N 1 2 349.862 3.263 40 0 EGABLO Cc1cccnc1C[N@H+]1Cc2ccnn2CC[C@H]1COCC(C)C ZINC000585098447 459822966 /nfs/dbraw/zinc/82/29/66/459822966.db2.gz YSTTWMYQQCVHOD-SFHVURJKSA-N 1 2 328.460 3.034 40 0 EGABLO Cc1cccnc1C[N@@H+]1Cc2ccnn2CC[C@H]1COCC(C)C ZINC000585098447 459822970 /nfs/dbraw/zinc/82/29/70/459822970.db2.gz YSTTWMYQQCVHOD-SFHVURJKSA-N 1 2 328.460 3.034 40 0 EGABLO CC[C@@H]1CC[C@H](C(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)O1 ZINC000585141573 459829711 /nfs/dbraw/zinc/82/97/11/459829711.db2.gz VVJUQJYGGQKHNM-OAGGEKHMSA-N 1 2 331.391 3.054 40 0 EGABLO CCOC(=O)c1n[nH]c([C@H](CC(C)C)[NH2+]Cc2ccc(F)c(C)c2)n1 ZINC000585141434 459829857 /nfs/dbraw/zinc/82/98/57/459829857.db2.gz VVILMFSFENQSSR-HNNXBMFYSA-N 1 2 348.422 3.306 40 0 EGABLO Cc1[nH]c([C@H]2CCCN2c2ccnc(-c3nccs3)n2)[nH+]c1C ZINC000895196872 1309234984 /nfs/dbraw/zinc/23/49/84/1309234984.db2.gz NKJJEEMOTXPSOM-GFCCVEGCSA-N 1 2 326.429 3.282 40 0 EGABLO CC(C)c1nnc(C2CC[NH+](CC(=O)Nc3ccccc3F)CC2)o1 ZINC000049377158 214003673 /nfs/dbraw/zinc/00/36/73/214003673.db2.gz OQXVINRRHOIXHK-UHFFFAOYSA-N 1 2 346.406 3.150 40 0 EGABLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067161608 215118644 /nfs/dbraw/zinc/11/86/44/215118644.db2.gz GDSMFQGWOVAFFA-UXHICEINSA-N 1 2 349.409 3.490 40 0 EGABLO O=C(N[C@@H]1CCC[C@H]1n1cc[nH+]c1)c1ccc(Br)cc1 ZINC000037501834 202002740 /nfs/dbraw/zinc/00/27/40/202002740.db2.gz HOYPFUBRCWHMSP-ZIAGYGMSSA-N 1 2 334.217 3.169 40 0 EGABLO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCN1C(=O)c1cscn1 ZINC000019451493 202008274 /nfs/dbraw/zinc/00/82/74/202008274.db2.gz ADSBWKSCMXJOAL-QGZVFWFLSA-N 1 2 347.459 3.265 40 0 EGABLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCN1C(=O)c1cscn1 ZINC000019451493 202008279 /nfs/dbraw/zinc/00/82/79/202008279.db2.gz ADSBWKSCMXJOAL-QGZVFWFLSA-N 1 2 347.459 3.265 40 0 EGABLO CCc1ccc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000020482143 202045106 /nfs/dbraw/zinc/04/51/06/202045106.db2.gz IIHDBMYXLFDBKZ-UHFFFAOYSA-N 1 2 335.407 3.130 40 0 EGABLO O=C(Cn1cc[nH+]c1)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000073007559 202368395 /nfs/dbraw/zinc/36/83/95/202368395.db2.gz NIKPRWWPSMXHSO-INIZCTEOSA-N 1 2 348.244 3.303 40 0 EGABLO O=C(NCc1[nH+]ccn1Cc1ccccc1)c1ccc(O)c(Cl)c1 ZINC000075179519 202371578 /nfs/dbraw/zinc/37/15/78/202371578.db2.gz BLNQELZVYDVSSB-UHFFFAOYSA-N 1 2 341.798 3.220 40 0 EGABLO O=C(NCCCn1nc(C(F)(F)F)c2c[nH+]ccc21)C1CCCC1 ZINC000190115149 238227064 /nfs/dbraw/zinc/22/70/64/238227064.db2.gz GLCGRKVACGWODB-UHFFFAOYSA-N 1 2 340.349 3.147 40 0 EGABLO C[C@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023180879 212358715 /nfs/dbraw/zinc/35/87/15/212358715.db2.gz ODQFJWCLFJSXEX-YOEHRIQHSA-N 1 2 336.501 3.206 40 0 EGABLO COc1ccc(C2(C(=O)N3CCC[C@@H]3c3[nH]cc(C)[nH+]3)CC2)cc1 ZINC000257212914 244158487 /nfs/dbraw/zinc/15/84/87/244158487.db2.gz CFKWZOSMSRTNQU-MRXNPFEDSA-N 1 2 325.412 3.122 40 0 EGABLO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000257241270 244245135 /nfs/dbraw/zinc/24/51/35/244245135.db2.gz HXJLWBMQTWUHCY-OAHLLOKOSA-N 1 2 349.442 3.026 40 0 EGABLO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000257241270 244245138 /nfs/dbraw/zinc/24/51/38/244245138.db2.gz HXJLWBMQTWUHCY-OAHLLOKOSA-N 1 2 349.442 3.026 40 0 EGABLO Cc1ncsc1-c1nnc([C@@H]2CCC[N@@H+]2Cc2cccnc2)o1 ZINC000072390179 203213349 /nfs/dbraw/zinc/21/33/49/203213349.db2.gz DNBWKUNRMBIRJL-ZDUSSCGKSA-N 1 2 327.413 3.234 40 0 EGABLO Cc1ncsc1-c1nnc([C@@H]2CCC[N@H+]2Cc2cccnc2)o1 ZINC000072390179 203213353 /nfs/dbraw/zinc/21/33/53/203213353.db2.gz DNBWKUNRMBIRJL-ZDUSSCGKSA-N 1 2 327.413 3.234 40 0 EGABLO C[NH2+]/C=C(\c1ccc(OC)cc1)[C@@H](O)c1ccc(OC)c(OC)c1 ZINC000104297637 204105295 /nfs/dbraw/zinc/10/52/95/204105295.db2.gz UGLPTDGOQCOHRD-BAILOTOSSA-N 1 2 329.396 3.006 40 0 EGABLO Cc1nnc(C2CC[NH+](CC(=O)Nc3ccc(C)c(C)c3)CC2)s1 ZINC000049365768 204387549 /nfs/dbraw/zinc/38/75/49/204387549.db2.gz WARKYFIAAAMEOR-UHFFFAOYSA-N 1 2 344.484 3.281 40 0 EGABLO Brc1cncnc1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000268983778 255508645 /nfs/dbraw/zinc/50/86/45/255508645.db2.gz IFAUPUDYRMVUCA-UHFFFAOYSA-N 1 2 348.248 3.237 40 0 EGABLO C[C@@H]1CCC[C@H](OCC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000079032147 257835137 /nfs/dbraw/zinc/83/51/37/257835137.db2.gz GEQAHFDWRNGMAI-AEFFLSMTSA-N 1 2 346.471 3.053 40 0 EGABLO O=C(c1ccco1)N1CCCC12CC[NH+](Cc1nccs1)CC2 ZINC000096049328 280216269 /nfs/dbraw/zinc/21/62/69/280216269.db2.gz NTWKWFUGTIQHQH-UHFFFAOYSA-N 1 2 331.441 3.007 40 0 EGABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000096111900 290320837 /nfs/dbraw/zinc/32/08/37/290320837.db2.gz GYOSZIKQMAJLPN-RDJZCZTQSA-N 1 2 342.826 3.338 40 0 biogenic,in-vitro EGABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000096111900 290320839 /nfs/dbraw/zinc/32/08/39/290320839.db2.gz GYOSZIKQMAJLPN-RDJZCZTQSA-N 1 2 342.826 3.338 40 0 biogenic,in-vitro EGABLO Cc1c[nH]c(-c2cc([C@@H]3CCCCN3c3cc(C)[nH+]cn3)nc(C)n2)n1 ZINC000257224815 301024223 /nfs/dbraw/zinc/02/42/23/301024223.db2.gz FDMLQNYWOBDOIS-KRWDZBQOSA-N 1 2 349.442 3.314 40 0 EGABLO Cc1cc(C(F)(F)F)nc([C@]2(C)CCCN2Cc2[nH+]ccn2C)n1 ZINC000257322179 301160584 /nfs/dbraw/zinc/16/05/84/301160584.db2.gz WEXFGHVJNZVNEG-HNNXBMFYSA-N 1 2 339.365 3.049 40 0 EGABLO Cc1nc(C(=O)NCc2cn3ccccc3[nH+]2)c(-c2ccccc2)o1 ZINC000097376178 323215627 /nfs/dbraw/zinc/21/56/27/323215627.db2.gz ILFGLIHAVHBLNT-UHFFFAOYSA-N 1 2 332.363 3.228 40 0 EGABLO OCC1CCN(c2ccc(NCc3ncc(Cl)s3)[nH+]c2)CC1 ZINC000390833167 324283465 /nfs/dbraw/zinc/28/34/65/324283465.db2.gz DABQQSMSOKIILF-UHFFFAOYSA-N 1 2 338.864 3.012 40 0 EGABLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccccn3)CC2)c1 ZINC000240569369 455264613 /nfs/dbraw/zinc/26/46/13/455264613.db2.gz HAAOBVIWYISPBJ-HNNXBMFYSA-N 1 2 340.427 3.001 40 0 EGABLO C[C@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)[C@@H](c2ccccc2)CO1 ZINC000241707094 455269312 /nfs/dbraw/zinc/26/93/12/455269312.db2.gz QMNRRMZUXJTQSL-IFXJQAMLSA-N 1 2 338.411 3.037 40 0 EGABLO C[C@H]1C[N@@H+](Cc2cc(-c3cnn(C)c3)no2)[C@@H](c2ccccc2)CO1 ZINC000241707094 455269318 /nfs/dbraw/zinc/26/93/18/455269318.db2.gz QMNRRMZUXJTQSL-IFXJQAMLSA-N 1 2 338.411 3.037 40 0 EGABLO Fc1ccccc1C1CC[NH+](Cc2nnnn2C2CCCC2)CC1 ZINC000012113943 453345163 /nfs/dbraw/zinc/34/51/63/453345163.db2.gz VUUDCDMISPNHSP-UHFFFAOYSA-N 1 2 329.423 3.307 40 0 EGABLO Cc1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCOCC4)cc3)cc2c1 ZINC000013561407 453470641 /nfs/dbraw/zinc/47/06/41/453470641.db2.gz YZQWOQRPXLRGEI-UHFFFAOYSA-N 1 2 349.434 3.285 40 0 EGABLO CCc1ccccc1NC(=S)N1CC[NH+](Cc2ccccn2)CC1 ZINC000016704543 453620654 /nfs/dbraw/zinc/62/06/54/453620654.db2.gz RAOGWGUGAUZHEZ-UHFFFAOYSA-N 1 2 340.496 3.159 40 0 EGABLO Cc1cc(C(=O)N2CCC(c3[nH+]c(C)n4c(C)csc34)CC2)on1 ZINC000019119720 453654389 /nfs/dbraw/zinc/65/43/89/453654389.db2.gz HETRWLSEEGKDFN-UHFFFAOYSA-N 1 2 344.440 3.329 40 0 EGABLO C[C@@]12CCC(=O)N1CCC[N@@H+]2Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000019659081 453657616 /nfs/dbraw/zinc/65/76/16/453657616.db2.gz FDYYKMRFKQKCLZ-SFHVURJKSA-N 1 2 344.846 3.070 40 0 EGABLO C[C@@]12CCC(=O)N1CCC[N@H+]2Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000019659081 453657618 /nfs/dbraw/zinc/65/76/18/453657618.db2.gz FDYYKMRFKQKCLZ-SFHVURJKSA-N 1 2 344.846 3.070 40 0 EGABLO O=C(CCc1ccc(Cl)cc1Cl)NCCCn1cc[nH+]c1 ZINC000044596510 454108556 /nfs/dbraw/zinc/10/85/56/454108556.db2.gz AJHYQYREXAGINW-UHFFFAOYSA-N 1 2 326.227 3.329 40 0 EGABLO CC[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1cc(F)ccc1F ZINC000077550491 454121670 /nfs/dbraw/zinc/12/16/70/454121670.db2.gz PFSYXXMYFCOZBT-MRXNPFEDSA-N 1 2 336.386 3.392 40 0 EGABLO Cc1ccc(OCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044908952 454126575 /nfs/dbraw/zinc/12/65/75/454126575.db2.gz IWZHYQARIZWDLJ-UHFFFAOYSA-N 1 2 335.407 3.049 40 0 EGABLO CCOc1ccc(-c2nnc([C@H]([NH3+])c3ccc(F)cc3)[nH]2)cc1OC ZINC000095533368 454229980 /nfs/dbraw/zinc/22/99/80/454229980.db2.gz RRVJXBIGIKKXFG-MRXNPFEDSA-N 1 2 342.374 3.066 40 0 EGABLO CCC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]c1C ZINC000072224696 454275735 /nfs/dbraw/zinc/27/57/35/454275735.db2.gz JEAOLESLARGRBV-UHFFFAOYSA-N 1 2 333.432 3.040 40 0 EGABLO Cc1ncc(C[N@@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)s1 ZINC000078921940 454337485 /nfs/dbraw/zinc/33/74/85/454337485.db2.gz XBAKMLZEFFQGKS-HNNXBMFYSA-N 1 2 335.860 3.342 40 0 EGABLO Cc1ncc(C[N@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)s1 ZINC000078921940 454337488 /nfs/dbraw/zinc/33/74/88/454337488.db2.gz XBAKMLZEFFQGKS-HNNXBMFYSA-N 1 2 335.860 3.342 40 0 EGABLO C[C@H](NC(=O)CSc1ccncc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432114 454343353 /nfs/dbraw/zinc/34/33/53/454343353.db2.gz ZGXGKRALJUFIDQ-AWEZNQCLSA-N 1 2 338.436 3.237 40 0 EGABLO O=C(NCc1ncc(-c2ccccc2)o1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000096444607 454352003 /nfs/dbraw/zinc/35/20/03/454352003.db2.gz OEPZUDKREXUCQH-SFHVURJKSA-N 1 2 347.418 3.232 40 0 EGABLO O=C(NCc1ncc(-c2ccccc2)o1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000096444607 454352010 /nfs/dbraw/zinc/35/20/10/454352010.db2.gz OEPZUDKREXUCQH-SFHVURJKSA-N 1 2 347.418 3.232 40 0 EGABLO O=C(c1ccsc1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000096490121 454368698 /nfs/dbraw/zinc/36/86/98/454368698.db2.gz BZZZLZRQDLGMCX-UHFFFAOYSA-N 1 2 337.448 3.386 40 0 EGABLO O=C(C[C@H]1COCC[N@@H+]1Cc1ccc2c(c1)COC2)c1ccccc1 ZINC000097095938 454404955 /nfs/dbraw/zinc/40/49/55/454404955.db2.gz BBEOHLZSQCEFPD-FQEVSTJZSA-N 1 2 337.419 3.191 40 0 EGABLO O=C(C[C@H]1COCC[N@H+]1Cc1ccc2c(c1)COC2)c1ccccc1 ZINC000097095938 454404958 /nfs/dbraw/zinc/40/49/58/454404958.db2.gz BBEOHLZSQCEFPD-FQEVSTJZSA-N 1 2 337.419 3.191 40 0 EGABLO CC(C)c1nnc(Cn2cc[nH+]c2-c2cncc(Br)c2)o1 ZINC000097371675 454433164 /nfs/dbraw/zinc/43/31/64/454433164.db2.gz GLYJLKRFUHISSC-UHFFFAOYSA-N 1 2 348.204 3.262 40 0 EGABLO Cc1ncsc1C[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000093052385 454674905 /nfs/dbraw/zinc/67/49/05/454674905.db2.gz RRCTZWDOXGAKAZ-UHFFFAOYSA-N 1 2 342.367 3.414 40 0 EGABLO Cc1ncsc1C[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000093052385 454674910 /nfs/dbraw/zinc/67/49/10/454674910.db2.gz RRCTZWDOXGAKAZ-UHFFFAOYSA-N 1 2 342.367 3.414 40 0 EGABLO C[N@H+](Cc1nc2ccccc2s1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245287328 455281879 /nfs/dbraw/zinc/28/18/79/455281879.db2.gz BYRVBQHUTOSROJ-DZGCQCFKSA-N 1 2 338.498 3.084 40 0 EGABLO C[N@@H+](Cc1nc2ccccc2s1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245287328 455281880 /nfs/dbraw/zinc/28/18/80/455281880.db2.gz BYRVBQHUTOSROJ-DZGCQCFKSA-N 1 2 338.498 3.084 40 0 EGABLO Cc1ccc(CN(C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000194072225 455799083 /nfs/dbraw/zinc/79/90/83/455799083.db2.gz DZYONFUTLKPECJ-UHFFFAOYSA-N 1 2 338.411 3.174 40 0 EGABLO C[C@H]1CCN(C(=O)NCC2CCC(F)(F)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000253398008 455839351 /nfs/dbraw/zinc/83/93/51/455839351.db2.gz JONNTNPZRJQGOD-ZFWWWQNUSA-N 1 2 340.418 3.301 40 0 EGABLO O=S(=O)(Cc1c(F)cccc1F)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000194596529 455863174 /nfs/dbraw/zinc/86/31/74/455863174.db2.gz OEMJHJJJKOUMHU-UHFFFAOYSA-N 1 2 349.362 3.297 40 0 EGABLO Cc1ncc(C[N@@H+]2CCN(C)[C@H](c3ccc(OC(C)C)cc3)C2)cn1 ZINC000257289705 455883538 /nfs/dbraw/zinc/88/35/38/455883538.db2.gz PZVWJGFEWHEQEX-FQEVSTJZSA-N 1 2 340.471 3.061 40 0 EGABLO Cc1ncc(C[N@H+]2CCN(C)[C@H](c3ccc(OC(C)C)cc3)C2)cn1 ZINC000257289705 455883543 /nfs/dbraw/zinc/88/35/43/455883543.db2.gz PZVWJGFEWHEQEX-FQEVSTJZSA-N 1 2 340.471 3.061 40 0 EGABLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)ccc1O ZINC000194998473 455911096 /nfs/dbraw/zinc/91/10/96/455911096.db2.gz YRYRVWRLODIJNA-GOSISDBHSA-N 1 2 335.350 3.253 40 0 EGABLO COc1cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)ccc1O ZINC000194998473 455911102 /nfs/dbraw/zinc/91/11/02/455911102.db2.gz YRYRVWRLODIJNA-GOSISDBHSA-N 1 2 335.350 3.253 40 0 EGABLO O=c1cc(O)nc(SCc2c[nH+]c3ccccn23)n1C1CCCC1 ZINC000195021800 455913933 /nfs/dbraw/zinc/91/39/33/455913933.db2.gz ISXXZUDGLQLMNX-UHFFFAOYSA-N 1 2 342.424 3.004 40 0 EGABLO C[C@@H](c1nc(C(C)(C)NC(=O)c2cccc(Cl)c2)no1)[NH+](C)C ZINC000195574671 455987038 /nfs/dbraw/zinc/98/70/38/455987038.db2.gz PNCUIWYBXQLCHU-JTQLQIEISA-N 1 2 336.823 3.011 40 0 EGABLO CS(=O)(=O)CC1(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)CC1 ZINC000328675158 456733557 /nfs/dbraw/zinc/73/35/57/456733557.db2.gz QNQRKDGGDSXURF-OAHLLOKOSA-N 1 2 348.468 3.180 40 0 EGABLO CS(=O)(=O)CC1(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)CC1 ZINC000328675158 456733563 /nfs/dbraw/zinc/73/35/63/456733563.db2.gz QNQRKDGGDSXURF-OAHLLOKOSA-N 1 2 348.468 3.180 40 0 EGABLO Cc1c[nH+]ccc1NC(=O)N[C@H](Cc1ccccn1)c1ccccc1 ZINC000390833200 457446298 /nfs/dbraw/zinc/44/62/98/457446298.db2.gz DLYTYLLRCSFSIE-LJQANCHMSA-N 1 2 332.407 3.312 40 0 EGABLO COc1ccc(CCC(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000575608154 459981057 /nfs/dbraw/zinc/98/10/57/459981057.db2.gz WUDYFJYJGZFMHR-LJQANCHMSA-N 1 2 340.423 3.093 40 0 EGABLO c1c(C[NH+]2CCC(OCc3ccccc3)CC2)nnn1C1CCC1 ZINC000667492165 462108885 /nfs/dbraw/zinc/10/88/85/462108885.db2.gz YXYNILCSTXSHSN-UHFFFAOYSA-N 1 2 326.444 3.184 40 0 EGABLO CCn1c(C)[nH+]c2cc(NC(=O)Cn3cnc4ccccc43)ccc21 ZINC000019656519 202015644 /nfs/dbraw/zinc/01/56/44/202015644.db2.gz SEYVEHXPCSMHHH-UHFFFAOYSA-N 1 2 333.395 3.353 40 0 EGABLO Cc1ccc(OCCn2c[nH+]cc2-c2cnc(N(C)C)nc2)c(C)c1 ZINC000019719328 202016406 /nfs/dbraw/zinc/01/64/06/202016406.db2.gz WWDBAOVRHMQUTD-UHFFFAOYSA-N 1 2 337.427 3.102 40 0 EGABLO Fc1cccnc1O[C@H]1CCOC2(C[NH+](Cc3cccs3)C2)C1 ZINC000247494591 283032449 /nfs/dbraw/zinc/03/24/49/283032449.db2.gz CMLCNAJEJFVNHZ-ZDUSSCGKSA-N 1 2 334.416 3.095 40 0 EGABLO O=C(Cc1ccc(Cl)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020112246 202033353 /nfs/dbraw/zinc/03/33/53/202033353.db2.gz PMAJVKOCOWUICP-UHFFFAOYSA-N 1 2 325.799 3.385 40 0 EGABLO CSc1ccc(CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000022698980 202089701 /nfs/dbraw/zinc/08/97/01/202089701.db2.gz QFWYSDWMWZFWCS-UHFFFAOYSA-N 1 2 333.482 3.034 40 0 EGABLO CSc1ccc(CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000022698980 202089706 /nfs/dbraw/zinc/08/97/06/202089706.db2.gz QFWYSDWMWZFWCS-UHFFFAOYSA-N 1 2 333.482 3.034 40 0 EGABLO CC[N@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1c(C)noc1C ZINC000024814604 202121432 /nfs/dbraw/zinc/12/14/32/202121432.db2.gz JWTIZOQRIZBQDO-UHFFFAOYSA-N 1 2 335.835 3.083 40 0 EGABLO CC[N@@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1c(C)noc1C ZINC000024814604 202121434 /nfs/dbraw/zinc/12/14/34/202121434.db2.gz JWTIZOQRIZBQDO-UHFFFAOYSA-N 1 2 335.835 3.083 40 0 EGABLO CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)c1C ZINC000025169428 202128032 /nfs/dbraw/zinc/12/80/32/202128032.db2.gz WBXPQCIUJMFVGH-UHFFFAOYSA-N 1 2 336.395 3.331 40 0 EGABLO CN(Cc1cccc(Cl)c1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000026288309 202141220 /nfs/dbraw/zinc/14/12/20/202141220.db2.gz QXBYOUFFLKRCFU-UHFFFAOYSA-N 1 2 342.830 3.372 40 0 EGABLO Cc1ccccc1C(=O)N[C@@H](C)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023180900 212358363 /nfs/dbraw/zinc/35/83/63/212358363.db2.gz XWCMJCZHEFTUTJ-MAUKXSAKSA-N 1 2 344.480 3.248 40 0 EGABLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(-c3ccccc3)cc2)C[C@H](C)O1 ZINC000022612140 212311542 /nfs/dbraw/zinc/31/15/42/212311542.db2.gz RVUMYGOGHIIDAX-CALCHBBNSA-N 1 2 338.451 3.193 40 0 EGABLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(-c3ccccc3)cc2)C[C@H](C)O1 ZINC000022612140 212311546 /nfs/dbraw/zinc/31/15/46/212311546.db2.gz RVUMYGOGHIIDAX-CALCHBBNSA-N 1 2 338.451 3.193 40 0 EGABLO C[N@H+](CCSCc1nc(=O)c2sccc2[nH]1)Cc1ccccc1 ZINC000193616510 240234568 /nfs/dbraw/zinc/23/45/68/240234568.db2.gz QZRGGZHCAVFLKW-UHFFFAOYSA-N 1 2 345.493 3.350 40 0 EGABLO C[N@@H+](CCSCc1nc(=O)c2sccc2[nH]1)Cc1ccccc1 ZINC000193616510 240234570 /nfs/dbraw/zinc/23/45/70/240234570.db2.gz QZRGGZHCAVFLKW-UHFFFAOYSA-N 1 2 345.493 3.350 40 0 EGABLO C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1cc[nH+]cc1 ZINC000225741928 242015323 /nfs/dbraw/zinc/01/53/23/242015323.db2.gz HKCJJXGCYNNGPZ-CQSZACIVSA-N 1 2 326.469 3.209 40 0 EGABLO CCc1noc(C)c1C(=O)N1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257214106 244159376 /nfs/dbraw/zinc/15/93/76/244159376.db2.gz CKNSIAOOVLOCPW-UHFFFAOYSA-N 1 2 327.428 3.344 40 0 EGABLO O=C(Cc1ccccc1F)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257216074 244167872 /nfs/dbraw/zinc/16/78/72/244167872.db2.gz CSZBPNPXYASZFN-GOSISDBHSA-N 1 2 335.382 3.348 40 0 EGABLO c1nc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3ncccn3)c2)cs1 ZINC000257224831 244197207 /nfs/dbraw/zinc/19/72/07/244197207.db2.gz FDPCPAFYPNCZGT-HNNXBMFYSA-N 1 2 338.440 3.409 40 0 EGABLO c1nc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3ncccn3)c2)cs1 ZINC000257224831 244197211 /nfs/dbraw/zinc/19/72/11/244197211.db2.gz FDPCPAFYPNCZGT-HNNXBMFYSA-N 1 2 338.440 3.409 40 0 EGABLO Cc1cc(N2CCC([C@@H]3CCCCN(C(C)C)C3=O)CC2)nc[nH+]1 ZINC000072369024 203209405 /nfs/dbraw/zinc/20/94/05/203209405.db2.gz TZIFLXZWCVSTFB-KRWDZBQOSA-N 1 2 330.476 3.039 40 0 EGABLO COCC[N@@H+]1CCCC[C@@H]1c1nc(C)cc(Nc2nccs2)n1 ZINC000072382449 203210170 /nfs/dbraw/zinc/21/01/70/203210170.db2.gz HGKZIGBABQEUKA-CYBMUJFWSA-N 1 2 333.461 3.159 40 0 EGABLO COCC[N@H+]1CCCC[C@@H]1c1nc(C)cc(Nc2nccs2)n1 ZINC000072382449 203210173 /nfs/dbraw/zinc/21/01/73/203210173.db2.gz HGKZIGBABQEUKA-CYBMUJFWSA-N 1 2 333.461 3.159 40 0 EGABLO Cn1cc[nH+]c1CN1CCC[C@H]1c1cncc(Oc2ccccc2)n1 ZINC000072384207 203210749 /nfs/dbraw/zinc/21/07/49/203210749.db2.gz YMWBZOUHIFHRII-KRWDZBQOSA-N 1 2 335.411 3.340 40 0 EGABLO Cc1nc(CN2CC[C@H]2c2cc(NC3CCCC3)nc(C)[nH+]2)co1 ZINC000072387511 203212095 /nfs/dbraw/zinc/21/20/95/203212095.db2.gz VHRCTGXTGWCQGF-KRWDZBQOSA-N 1 2 327.432 3.383 40 0 EGABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000257236805 244231260 /nfs/dbraw/zinc/23/12/60/244231260.db2.gz HDVWKDPGJWCFKR-CQSZACIVSA-N 1 2 340.452 3.048 40 0 EGABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)[nH+]1 ZINC000257259838 244292569 /nfs/dbraw/zinc/29/25/69/244292569.db2.gz LAGYTZIPHVEAFM-KRWDZBQOSA-N 1 2 334.423 3.297 40 0 EGABLO C[NH2+]/C=C(\c1ccc(OC)cc1)[C@H](O)c1ccc(OC)c(OC)c1 ZINC000104297628 204105536 /nfs/dbraw/zinc/10/55/36/204105536.db2.gz UGLPTDGOQCOHRD-APEZIOSESA-N 1 2 329.396 3.006 40 0 EGABLO CNc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072212514 257690104 /nfs/dbraw/zinc/69/01/04/257690104.db2.gz LOZGKTKLQNKLRM-QGZVFWFLSA-N 1 2 345.468 3.348 40 0 EGABLO Cc1cc(F)c(C[NH+]2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)c(Cl)c1 ZINC000263520786 141055651 /nfs/dbraw/zinc/05/56/51/141055651.db2.gz QVHIUAJNELZYJV-CYBMUJFWSA-N 1 2 342.842 3.158 40 0 EGABLO Cc1cc(F)c(C[NH+]2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)c(Cl)c1 ZINC000263520786 141055654 /nfs/dbraw/zinc/05/56/54/141055654.db2.gz QVHIUAJNELZYJV-CYBMUJFWSA-N 1 2 342.842 3.158 40 0 EGABLO Cc1cc(F)c(C[N@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)c(Cl)c1 ZINC000263520786 141055658 /nfs/dbraw/zinc/05/56/58/141055658.db2.gz QVHIUAJNELZYJV-CYBMUJFWSA-N 1 2 342.842 3.158 40 0 EGABLO Cc1cc(F)c(C[N@@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)c(Cl)c1 ZINC000263520786 141055660 /nfs/dbraw/zinc/05/56/60/141055660.db2.gz QVHIUAJNELZYJV-CYBMUJFWSA-N 1 2 342.842 3.158 40 0 EGABLO Cc1[nH+]c([C@]2(C)CCCN(c3cc(C)ncn3)C2)c2sccn12 ZINC000257211207 282002902 /nfs/dbraw/zinc/00/29/02/282002902.db2.gz BXXDSZSOYHMNNE-QGZVFWFLSA-N 1 2 327.457 3.361 40 0 EGABLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)o1 ZINC000097373725 323215575 /nfs/dbraw/zinc/21/55/75/323215575.db2.gz LBXCPBZOBSCYLQ-WDEREUQCSA-N 1 2 329.379 3.423 40 0 EGABLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ncnn2C(C)(C)C)c1 ZINC000241161339 455267006 /nfs/dbraw/zinc/26/70/06/455267006.db2.gz JZXKUULJZJWJAP-MRXNPFEDSA-N 1 2 344.459 3.387 40 0 EGABLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ncnn2C(C)(C)C)c1 ZINC000241161339 455267008 /nfs/dbraw/zinc/26/70/08/455267008.db2.gz JZXKUULJZJWJAP-MRXNPFEDSA-N 1 2 344.459 3.387 40 0 EGABLO CCn1c(SCc2cn3ccccc3[nH+]2)nc2ccccc2c1=O ZINC000008778532 453234737 /nfs/dbraw/zinc/23/47/37/453234737.db2.gz AOFWKUSOVUGOGP-UHFFFAOYSA-N 1 2 336.420 3.356 40 0 EGABLO Cc1cc(-c2cnc(NCCc3c[nH]c[nH+]3)nc2-c2ccoc2)on1 ZINC000012221526 453349346 /nfs/dbraw/zinc/34/93/46/453349346.db2.gz YEIPONRVCMJOBI-UHFFFAOYSA-N 1 2 336.355 3.078 40 0 EGABLO Cc1cc(-c2cnc(NCCc3c[nH+]c[nH]3)nc2-c2ccoc2)on1 ZINC000012221526 453349356 /nfs/dbraw/zinc/34/93/56/453349356.db2.gz YEIPONRVCMJOBI-UHFFFAOYSA-N 1 2 336.355 3.078 40 0 EGABLO O=C(Cc1ccccc1F)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000040122097 453948485 /nfs/dbraw/zinc/94/84/85/453948485.db2.gz LSRHAXQMEWZTSE-UHFFFAOYSA-N 1 2 341.430 3.460 40 0 EGABLO Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044852676 454122583 /nfs/dbraw/zinc/12/25/83/454122583.db2.gz JGYHEJIRYLDTCS-KRWDZBQOSA-N 1 2 349.434 3.437 40 0 EGABLO c1coc(CN2Cc3[nH+]cn(CC4CC4)c3[C@H](COCC3CC3)C2)c1 ZINC000096045146 454268495 /nfs/dbraw/zinc/26/84/95/454268495.db2.gz WCJZOICLJDARPZ-KRWDZBQOSA-N 1 2 341.455 3.412 40 0 EGABLO c1coc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)c1 ZINC000096045146 454268499 /nfs/dbraw/zinc/26/84/99/454268499.db2.gz WCJZOICLJDARPZ-KRWDZBQOSA-N 1 2 341.455 3.412 40 0 EGABLO c1coc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)c1 ZINC000096045146 454268501 /nfs/dbraw/zinc/26/85/01/454268501.db2.gz WCJZOICLJDARPZ-KRWDZBQOSA-N 1 2 341.455 3.412 40 0 EGABLO CNc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072212515 454274021 /nfs/dbraw/zinc/27/40/21/454274021.db2.gz LOZGKTKLQNKLRM-KRWDZBQOSA-N 1 2 345.468 3.348 40 0 EGABLO Cc1[nH+]c(N2CCCC2)ccc1C(=O)CCCNC(=O)OC(C)(C)C ZINC000072218904 454275780 /nfs/dbraw/zinc/27/57/80/454275780.db2.gz ZQNVHFSVXJMPEU-UHFFFAOYSA-N 1 2 347.459 3.478 40 0 EGABLO Cc1nc(C[N@@H+]2CC[C@]23CCN(C(=O)c2cccc(C)c2)C3)cs1 ZINC000096076051 454280558 /nfs/dbraw/zinc/28/05/58/454280558.db2.gz CKBFJXRNCWNBQL-IBGZPJMESA-N 1 2 341.480 3.251 40 0 EGABLO Cc1nc(C[N@H+]2CC[C@]23CCN(C(=O)c2cccc(C)c2)C3)cs1 ZINC000096076051 454280562 /nfs/dbraw/zinc/28/05/62/454280562.db2.gz CKBFJXRNCWNBQL-IBGZPJMESA-N 1 2 341.480 3.251 40 0 EGABLO Cn1cnc2c1[C@@H](COCc1ccccc1)[N@H+](Cc1ccncc1)CC2 ZINC000096187735 454300020 /nfs/dbraw/zinc/30/00/20/454300020.db2.gz OVFNIYKKWGNIOI-HXUWFJFHSA-N 1 2 348.450 3.131 40 0 EGABLO Cn1cnc2c1[C@@H](COCc1ccccc1)[N@@H+](Cc1ccncc1)CC2 ZINC000096187735 454300024 /nfs/dbraw/zinc/30/00/24/454300024.db2.gz OVFNIYKKWGNIOI-HXUWFJFHSA-N 1 2 348.450 3.131 40 0 EGABLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCO[C@H](c3ccccc3)C2)c1 ZINC000096411821 454329288 /nfs/dbraw/zinc/32/92/88/454329288.db2.gz PNKQMSQQGCZMAN-FQEVSTJZSA-N 1 2 347.418 3.394 40 0 EGABLO COc1ccsc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000096413897 454330043 /nfs/dbraw/zinc/33/00/43/454330043.db2.gz NNMILRQQBJOAKI-UHFFFAOYSA-N 1 2 346.452 3.150 40 0 EGABLO CC[C@H](C)c1cc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)on1 ZINC000096423626 454337257 /nfs/dbraw/zinc/33/72/57/454337257.db2.gz BZSBJZRDTGJOBB-NSHDSACASA-N 1 2 331.416 3.481 40 0 EGABLO Cc1cnn(-c2ccc([C@H](C)[NH2+][C@H](C)c3nnc(C)o3)cc2F)c1 ZINC000096437244 454348780 /nfs/dbraw/zinc/34/87/80/454348780.db2.gz PYIJGMDEBHPQCH-NWDGAFQWSA-N 1 2 329.379 3.423 40 0 EGABLO O=C(CCCn1cc[nH+]c1)Nc1c(F)cc(Br)cc1F ZINC000096443146 454350937 /nfs/dbraw/zinc/35/09/37/454350937.db2.gz FBGBKJNFMREWET-UHFFFAOYSA-N 1 2 344.159 3.343 40 0 EGABLO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1csc(CS(C)(=O)=O)n1 ZINC000096443515 454351841 /nfs/dbraw/zinc/35/18/41/454351841.db2.gz ULYMKIGUOKVRFT-OCCSQVGLSA-N 1 2 330.519 3.088 40 0 EGABLO CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1csc(CS(C)(=O)=O)n1 ZINC000096443515 454351847 /nfs/dbraw/zinc/35/18/47/454351847.db2.gz ULYMKIGUOKVRFT-OCCSQVGLSA-N 1 2 330.519 3.088 40 0 EGABLO CC[N@@H+](Cc1ccoc1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000096483153 454364856 /nfs/dbraw/zinc/36/48/56/454364856.db2.gz VHQNBIXPYKRAOK-CQSZACIVSA-N 1 2 337.217 3.091 40 0 EGABLO CC[N@H+](Cc1ccoc1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000096483153 454364853 /nfs/dbraw/zinc/36/48/53/454364853.db2.gz VHQNBIXPYKRAOK-CQSZACIVSA-N 1 2 337.217 3.091 40 0 EGABLO Cc1nc2cc(C(=O)N3CC[N@@H+](C)[C@H](c4ccccc4)C3)ccc2[nH]1 ZINC000096739990 454380488 /nfs/dbraw/zinc/38/04/88/454380488.db2.gz LQRWSFOOHAWADK-IBGZPJMESA-N 1 2 334.423 3.000 40 0 EGABLO Cc1nc2cc(C(=O)N3CC[N@H+](C)[C@H](c4ccccc4)C3)ccc2[nH]1 ZINC000096739990 454380491 /nfs/dbraw/zinc/38/04/91/454380491.db2.gz LQRWSFOOHAWADK-IBGZPJMESA-N 1 2 334.423 3.000 40 0 EGABLO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(Br)o1 ZINC000193015941 455734980 /nfs/dbraw/zinc/73/49/80/455734980.db2.gz ZZAPSQGSXFGFGE-PSASIEDQSA-N 1 2 325.210 3.128 40 0 EGABLO CC(C)n1cnc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000253395559 455839484 /nfs/dbraw/zinc/83/94/84/455839484.db2.gz XLCWZPABLRDHFT-UHFFFAOYSA-N 1 2 346.862 3.075 40 0 EGABLO Nc1cccc(CSc2ncnc3c2cnn3Cc2ccccc2)[nH+]1 ZINC000194557489 455858208 /nfs/dbraw/zinc/85/82/08/455858208.db2.gz GWADCTOAAYVRAM-UHFFFAOYSA-N 1 2 348.435 3.144 40 0 EGABLO Nc1cccc(CSc2[nH+]cnc3c2cnn3Cc2ccccc2)n1 ZINC000194557489 455858214 /nfs/dbraw/zinc/85/82/14/455858214.db2.gz GWADCTOAAYVRAM-UHFFFAOYSA-N 1 2 348.435 3.144 40 0 EGABLO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ncccc2F)nc2nccn21 ZINC000257271767 455880487 /nfs/dbraw/zinc/88/04/87/455880487.db2.gz MZSJHJRBKWSNKM-KRWDZBQOSA-N 1 2 325.391 3.299 40 0 EGABLO Cc1cc([C@@H]2CCCC[N@H+]2Cc2ncccc2F)nc2nccn21 ZINC000257271767 455880494 /nfs/dbraw/zinc/88/04/94/455880494.db2.gz MZSJHJRBKWSNKM-KRWDZBQOSA-N 1 2 325.391 3.299 40 0 EGABLO CN(C(=O)c1cccc2ncccc21)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257282147 455881222 /nfs/dbraw/zinc/88/12/22/455881222.db2.gz OSMZUYNWNSNZRJ-INIZCTEOSA-N 1 2 346.434 3.371 40 0 EGABLO CC1(C)Oc2ccccc2[C@H]2OCC3(C[NH+](Cc4cc[nH]n4)C3)C[C@@H]21 ZINC000257285324 455882543 /nfs/dbraw/zinc/88/25/43/455882543.db2.gz PGQFQEYCOOARAU-FUHWJXTLSA-N 1 2 339.439 3.161 40 0 EGABLO Cc1[nH]ncc1C[N@@H+]1CCOC[C@@H](Cc2ccc3ccoc3c2)C1 ZINC000257291826 455884022 /nfs/dbraw/zinc/88/40/22/455884022.db2.gz QIUBXPSWBPUCBG-INIZCTEOSA-N 1 2 325.412 3.155 40 0 EGABLO Cc1[nH]ncc1C[N@H+]1CCOC[C@@H](Cc2ccc3ccoc3c2)C1 ZINC000257291826 455884024 /nfs/dbraw/zinc/88/40/24/455884024.db2.gz QIUBXPSWBPUCBG-INIZCTEOSA-N 1 2 325.412 3.155 40 0 EGABLO Cc1ccc([C@@](C)(O)C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)o1 ZINC000188071305 455991343 /nfs/dbraw/zinc/99/13/43/455991343.db2.gz UBSSOXKOQXQLOG-AEFFLSMTSA-N 1 2 329.375 3.037 40 0 EGABLO Cc1ccc(C(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)cc1 ZINC000224354711 456066440 /nfs/dbraw/zinc/06/64/40/456066440.db2.gz LCKYKCMBJCJDNX-UHFFFAOYSA-N 1 2 339.443 3.094 40 0 EGABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc3cc(F)ccc3n2C)[nH+]1 ZINC000585181415 459831643 /nfs/dbraw/zinc/83/16/43/459831643.db2.gz QNAWOJYHHVWMCS-OAHLLOKOSA-N 1 2 326.375 3.326 40 0 EGABLO Clc1ccc2c(c1)N[C@H](c1ccc3nccnc3c1)N1CC[NH+]=C21 ZINC000012188544 282518326 /nfs/dbraw/zinc/51/83/26/282518326.db2.gz LYEMBOPGAPQMFN-KRWDZBQOSA-N 1 2 335.798 3.470 40 0 EGABLO O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)c1ccc(Br)cc1 ZINC000037501832 213151303 /nfs/dbraw/zinc/15/13/03/213151303.db2.gz HOYPFUBRCWHMSP-KGLIPLIRSA-N 1 2 334.217 3.169 40 0 EGABLO Cc1cc(N2CCC[C@H](c3cncc(Oc4cccnc4)n3)C2)nc[nH+]1 ZINC000072383982 216184993 /nfs/dbraw/zinc/18/49/93/216184993.db2.gz UODJDUMGJPZKGK-HNNXBMFYSA-N 1 2 348.410 3.146 40 0 EGABLO Cc1nc(NCc2ccccc2)cc([C@@H]2CCN2Cc2ccnn2C)[nH+]1 ZINC000072387505 216187258 /nfs/dbraw/zinc/18/72/58/216187258.db2.gz UMIOZACINFKRKL-IBGZPJMESA-N 1 2 348.454 3.078 40 0 EGABLO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)nc2)cc1 ZINC000072577603 216276896 /nfs/dbraw/zinc/27/68/96/216276896.db2.gz RMHVGATUWKHWLD-MRXNPFEDSA-N 1 2 345.830 3.347 40 0 EGABLO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)nc2)cc1 ZINC000072577603 216276899 /nfs/dbraw/zinc/27/68/99/216276899.db2.gz RMHVGATUWKHWLD-MRXNPFEDSA-N 1 2 345.830 3.347 40 0 EGABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@H](Oc1cccnc1)CCO2 ZINC000253599942 244032077 /nfs/dbraw/zinc/03/20/77/244032077.db2.gz YQHXFSMRIDHGBY-OAHLLOKOSA-N 1 2 330.453 3.264 40 0 EGABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@H](OCc1ccccn1)CCO2 ZINC000253598989 244032958 /nfs/dbraw/zinc/03/29/58/244032958.db2.gz JNYKDNSECNQWCA-QGZVFWFLSA-N 1 2 344.480 3.402 40 0 EGABLO COc1ccc(C[N@@H+]2CCO[C@H](c3cnccn3)C2)c2ccccc12 ZINC000257215458 244167360 /nfs/dbraw/zinc/16/73/60/244167360.db2.gz CQERQLGVTLZAHA-FQEVSTJZSA-N 1 2 335.407 3.212 40 0 EGABLO COc1ccc(C[N@H+]2CCO[C@H](c3cnccn3)C2)c2ccccc12 ZINC000257215458 244167365 /nfs/dbraw/zinc/16/73/65/244167365.db2.gz CQERQLGVTLZAHA-FQEVSTJZSA-N 1 2 335.407 3.212 40 0 EGABLO Cc1cc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)nc(C)n1 ZINC000257220635 244179895 /nfs/dbraw/zinc/17/98/95/244179895.db2.gz DLNZMBJIYRDOCV-IBGZPJMESA-N 1 2 349.438 3.057 40 0 EGABLO Cc1cc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)nc(C)n1 ZINC000257220635 244179906 /nfs/dbraw/zinc/17/99/06/244179906.db2.gz DLNZMBJIYRDOCV-IBGZPJMESA-N 1 2 349.438 3.057 40 0 EGABLO Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000257220119 244182529 /nfs/dbraw/zinc/18/25/29/244182529.db2.gz DJPQRNMKQODOTG-KRWDZBQOSA-N 1 2 337.427 3.130 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc[nH+]1 ZINC000257259781 244293448 /nfs/dbraw/zinc/29/34/48/244293448.db2.gz KZYCDXIPMXHJPY-MRXNPFEDSA-N 1 2 327.403 3.211 40 0 EGABLO CCOc1ccccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020050181 212098118 /nfs/dbraw/zinc/09/81/18/212098118.db2.gz XVRTYPINDUMZIS-UHFFFAOYSA-N 1 2 340.423 3.170 40 0 EGABLO O=S(=O)(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000020049933 212097753 /nfs/dbraw/zinc/09/77/53/212097753.db2.gz SQCQKJVFCPVVNE-UHFFFAOYSA-N 1 2 347.827 3.004 40 0 EGABLO COc1ccccc1C[N@H+](C)Cc1cnc([C@@H]2CCCCO2)nc1 ZINC000257272864 244384435 /nfs/dbraw/zinc/38/44/35/244384435.db2.gz NEDUETPCIPOOBF-SFHVURJKSA-N 1 2 327.428 3.359 40 0 EGABLO COc1ccccc1C[N@@H+](C)Cc1cnc([C@@H]2CCCCO2)nc1 ZINC000257272864 244384440 /nfs/dbraw/zinc/38/44/40/244384440.db2.gz NEDUETPCIPOOBF-SFHVURJKSA-N 1 2 327.428 3.359 40 0 EGABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3c(C)oc4c3CCCC4)C2)[nH+]1 ZINC000257333278 244556148 /nfs/dbraw/zinc/55/61/48/244556148.db2.gz YAXZODNLLXPBQD-AWEZNQCLSA-N 1 2 327.428 3.138 40 0 EGABLO O=C(C[N@H+]1CCC[C@@H](COc2ccccc2F)C1)Nc1nccs1 ZINC000019657765 212054663 /nfs/dbraw/zinc/05/46/63/212054663.db2.gz WWEAGPDALZWDSE-CYBMUJFWSA-N 1 2 349.431 3.012 40 0 EGABLO O=C(C[N@@H+]1CCC[C@@H](COc2ccccc2F)C1)Nc1nccs1 ZINC000019657765 212054667 /nfs/dbraw/zinc/05/46/67/212054667.db2.gz WWEAGPDALZWDSE-CYBMUJFWSA-N 1 2 349.431 3.012 40 0 EGABLO Fc1ccccc1C[N@@H+]1CCC[C@H]1c1nnc(-c2cnccn2)o1 ZINC000019349066 212019377 /nfs/dbraw/zinc/01/93/77/212019377.db2.gz GPNHEPKARYSZMA-HNNXBMFYSA-N 1 2 325.347 3.003 40 0 EGABLO Fc1ccccc1C[N@H+]1CCC[C@H]1c1nnc(-c2cnccn2)o1 ZINC000019349066 212019379 /nfs/dbraw/zinc/01/93/79/212019379.db2.gz GPNHEPKARYSZMA-HNNXBMFYSA-N 1 2 325.347 3.003 40 0 EGABLO CN(C)c1ccccc1C[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000078048062 217013615 /nfs/dbraw/zinc/01/36/15/217013615.db2.gz YTDRUOSDPSQOBX-UHFFFAOYSA-N 1 2 326.366 3.143 40 0 EGABLO CN(C)c1ccccc1C[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000078048062 217013619 /nfs/dbraw/zinc/01/36/19/217013619.db2.gz YTDRUOSDPSQOBX-UHFFFAOYSA-N 1 2 326.366 3.143 40 0 EGABLO CC(C)COc1ccc(CC(=O)NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000078610129 217086470 /nfs/dbraw/zinc/08/64/70/217086470.db2.gz QCAHRHGVEKBKDX-UHFFFAOYSA-N 1 2 341.455 3.113 40 0 EGABLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000079353085 217213962 /nfs/dbraw/zinc/21/39/62/217213962.db2.gz IGZYXUGJFXJSKC-OAHLLOKOSA-N 1 2 334.423 3.082 40 0 EGABLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)c(OC)c1 ZINC000012186448 211313657 /nfs/dbraw/zinc/31/36/57/211313657.db2.gz MXBSDPPFCZTZOJ-KBXCAEBGSA-N 1 2 325.412 3.064 40 0 EGABLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)c(OC)c1 ZINC000012186448 211313662 /nfs/dbraw/zinc/31/36/62/211313662.db2.gz MXBSDPPFCZTZOJ-KBXCAEBGSA-N 1 2 325.412 3.064 40 0 EGABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[N@H+](Cc1ccsc1)CC3 ZINC000012219932 211322956 /nfs/dbraw/zinc/32/29/56/211322956.db2.gz SPXILAURQJCHLF-UHFFFAOYSA-N 1 2 342.468 3.352 40 0 EGABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[N@@H+](Cc1ccsc1)CC3 ZINC000012219932 211322958 /nfs/dbraw/zinc/32/29/58/211322958.db2.gz SPXILAURQJCHLF-UHFFFAOYSA-N 1 2 342.468 3.352 40 0 EGABLO Cc1cccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000011077330 211202129 /nfs/dbraw/zinc/20/21/29/211202129.db2.gz DVAPHWKMRYJBMR-UHFFFAOYSA-N 1 2 338.455 3.179 40 0 EGABLO COc1cccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccccc2)c1 ZINC000009979835 211137678 /nfs/dbraw/zinc/13/76/78/211137678.db2.gz HDUCPCTWZXWNOJ-IBGZPJMESA-N 1 2 345.464 3.306 40 0 EGABLO COc1cccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccccc2)c1 ZINC000009979835 211137680 /nfs/dbraw/zinc/13/76/80/211137680.db2.gz HDUCPCTWZXWNOJ-IBGZPJMESA-N 1 2 345.464 3.306 40 0 EGABLO COc1ccc(C[NH+]2[C@H](C)COC[C@H]2C)cc1OCc1cccnc1 ZINC000093607293 218234678 /nfs/dbraw/zinc/23/46/78/218234678.db2.gz PETLJJSCVXBVNX-HZPDHXFCSA-N 1 2 342.439 3.278 40 0 EGABLO CN1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)c2ccc(F)cc21 ZINC000174450685 277099075 /nfs/dbraw/zinc/09/90/75/277099075.db2.gz ZZYJIGRGURPINE-UHFFFAOYSA-N 1 2 336.370 3.108 40 0 EGABLO Cc1cc(C)c(NC(=O)NC[C@@H]2Cc3ccccc3CO2)c(C)[nH+]1 ZINC000626569330 460581169 /nfs/dbraw/zinc/58/11/69/460581169.db2.gz YGFHTCLSLOZGJO-KRWDZBQOSA-N 1 2 325.412 3.270 40 0 EGABLO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2)cc1OC ZINC000007686366 453103840 /nfs/dbraw/zinc/10/38/40/453103840.db2.gz ZZIRYHYYBAKWOE-UHFFFAOYSA-N 1 2 328.412 3.164 40 0 EGABLO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2)cc1OC ZINC000007686366 453103844 /nfs/dbraw/zinc/10/38/44/453103844.db2.gz ZZIRYHYYBAKWOE-UHFFFAOYSA-N 1 2 328.412 3.164 40 0 EGABLO COc1ccc([C@@H]2Nc3cc(Cl)ccc3C3=[NH+]CCN32)cc1O ZINC000012188511 453349759 /nfs/dbraw/zinc/34/97/59/453349759.db2.gz IBUGENINAQDTNP-MRXNPFEDSA-N 1 2 329.787 3.241 40 0 EGABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000012666994 453390943 /nfs/dbraw/zinc/39/09/43/453390943.db2.gz VFBFDZXYJQEERR-UHFFFAOYSA-N 1 2 338.386 3.010 40 0 EGABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@H+](Cc1cccc(F)c1)C2 ZINC000012666994 453390949 /nfs/dbraw/zinc/39/09/49/453390949.db2.gz VFBFDZXYJQEERR-UHFFFAOYSA-N 1 2 338.386 3.010 40 0 EGABLO CCC(C)(C)n1nnnc1[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000013150647 453448691 /nfs/dbraw/zinc/44/86/91/453448691.db2.gz KIKRQLRYJQSANT-ZBFHGGJFSA-N 1 2 328.464 3.035 40 0 EGABLO CCC(C)(C)n1nnnc1[C@H](c1cccnc1)[N@H+]1CCC[C@@H](C)C1 ZINC000013150647 453448704 /nfs/dbraw/zinc/44/87/04/453448704.db2.gz KIKRQLRYJQSANT-ZBFHGGJFSA-N 1 2 328.464 3.035 40 0 EGABLO Cc1cc(C)[nH+]c(N2NC3=C(C(=O)C[C@H](C)C3)[C@H]2c2cccs2)n1 ZINC000017071265 453629136 /nfs/dbraw/zinc/62/91/36/453629136.db2.gz JLWOITBOVVKAED-BMLIUANNSA-N 1 2 340.452 3.474 40 0 EGABLO COc1ccc(-c2csc(NC(=O)[C@@H](C)n3cc[nH+]c3)n2)cc1F ZINC000019080687 453653629 /nfs/dbraw/zinc/65/36/29/453653629.db2.gz RMBHCCKBJWUJMK-SNVBAGLBSA-N 1 2 346.387 3.354 40 0 EGABLO O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000024679301 453742515 /nfs/dbraw/zinc/74/25/15/453742515.db2.gz ABHQKWBFCRXYCA-UHFFFAOYSA-N 1 2 349.409 3.332 40 0 EGABLO COc1cccc([S@](=O)Cc2[nH+]ccn2Cc2ccccc2)c1 ZINC000075078953 453858361 /nfs/dbraw/zinc/85/83/61/453858361.db2.gz OWUBUXXSASPHFD-QHCPKHFHSA-N 1 2 326.421 3.248 40 0 EGABLO COc1ccccc1[C@H](C)[N@H+](C)CC(=O)NCc1sccc1C ZINC000076912290 454047773 /nfs/dbraw/zinc/04/77/73/454047773.db2.gz PZNBCELVBCFIMI-AWEZNQCLSA-N 1 2 332.469 3.374 40 0 EGABLO COc1ccccc1[C@H](C)[N@@H+](C)CC(=O)NCc1sccc1C ZINC000076912290 454047778 /nfs/dbraw/zinc/04/77/78/454047778.db2.gz PZNBCELVBCFIMI-AWEZNQCLSA-N 1 2 332.469 3.374 40 0 EGABLO CC(C)C[C@@H](c1nnnn1C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670221 454139875 /nfs/dbraw/zinc/13/98/75/454139875.db2.gz MTVVHDQIPCZQRQ-SFHVURJKSA-N 1 2 342.491 3.163 40 0 EGABLO COc1ccc(OCc2n[nH]c([C@@H]([NH3+])c3ccc(Cl)cc3)n2)cc1 ZINC000095533975 454230971 /nfs/dbraw/zinc/23/09/71/454230971.db2.gz STKLLRPOLDXXAW-INIZCTEOSA-N 1 2 344.802 3.094 40 0 EGABLO Cc1nc(C[N@@H+]2CCC3(CN(Cc4ccc(F)cc4)C3)C2)cs1 ZINC000096046424 454270433 /nfs/dbraw/zinc/27/04/33/454270433.db2.gz BTEFBBRUNJQMHG-UHFFFAOYSA-N 1 2 331.460 3.299 40 0 EGABLO Cc1nc(C[N@H+]2CCC3(CN(Cc4ccc(F)cc4)C3)C2)cs1 ZINC000096046424 454270436 /nfs/dbraw/zinc/27/04/36/454270436.db2.gz BTEFBBRUNJQMHG-UHFFFAOYSA-N 1 2 331.460 3.299 40 0 EGABLO COC[C@H]1C[N@H+](Cc2ccc(C)s2)Cc2nn(CC3CC3)cc21 ZINC000096060453 454275885 /nfs/dbraw/zinc/27/58/85/454275885.db2.gz CZZKWCRYYKMLIA-OAHLLOKOSA-N 1 2 331.485 3.409 40 0 EGABLO COC[C@H]1C[N@@H+](Cc2ccc(C)s2)Cc2nn(CC3CC3)cc21 ZINC000096060453 454275889 /nfs/dbraw/zinc/27/58/89/454275889.db2.gz CZZKWCRYYKMLIA-OAHLLOKOSA-N 1 2 331.485 3.409 40 0 EGABLO COC[C@H]1C[N@H+](Cc2ccco2)Cc2cn(CC3CCCC3)nc21 ZINC000096059981 454276749 /nfs/dbraw/zinc/27/67/49/454276749.db2.gz GJFRJJGBEVICCY-QGZVFWFLSA-N 1 2 329.444 3.412 40 0 EGABLO COC[C@H]1C[N@@H+](Cc2ccco2)Cc2cn(CC3CCCC3)nc21 ZINC000096059981 454276754 /nfs/dbraw/zinc/27/67/54/454276754.db2.gz GJFRJJGBEVICCY-QGZVFWFLSA-N 1 2 329.444 3.412 40 0 EGABLO Cc1cccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4[nH]3)C2)n1 ZINC000096112189 454287598 /nfs/dbraw/zinc/28/75/98/454287598.db2.gz FZQOHTSWALFBHJ-QAPCUYQASA-N 1 2 340.402 3.005 40 0 biogenic,in-vitro EGABLO Cc1cccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4[nH]3)C2)n1 ZINC000096112189 454287601 /nfs/dbraw/zinc/28/76/01/454287601.db2.gz FZQOHTSWALFBHJ-QAPCUYQASA-N 1 2 340.402 3.005 40 0 biogenic,in-vitro EGABLO Cc1sc2c([C@@H]3CCCN(c4ncccn4)C3)[nH+]c(C)n2c1C ZINC000072368943 454293944 /nfs/dbraw/zinc/29/39/44/454293944.db2.gz CFPWDBJTNAVIIY-CQSZACIVSA-N 1 2 327.457 3.495 40 0 EGABLO FC(F)(F)Cn1cc[nH+]c1CNc1cc2c(cc1Cl)OCCO2 ZINC000096427391 454339864 /nfs/dbraw/zinc/33/98/64/454339864.db2.gz IMSFAVKXDICZDK-UHFFFAOYSA-N 1 2 347.724 3.482 40 0 EGABLO C[C@H](NC(=O)c1cnn(C(C)(C)C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432110 454343290 /nfs/dbraw/zinc/34/32/90/454343290.db2.gz NNSQRTMEMZTINE-AWEZNQCLSA-N 1 2 337.427 3.315 40 0 EGABLO CO[C@H](C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000096432107 454343343 /nfs/dbraw/zinc/34/33/43/454343343.db2.gz TUOKDCWXFAZQAF-BEFAXECRSA-N 1 2 335.407 3.437 40 0 EGABLO Cc1noc(C)c1NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000096434398 454345518 /nfs/dbraw/zinc/34/55/18/454345518.db2.gz UGZDGSYJDNFSIG-NSHDSACASA-N 1 2 325.372 3.360 40 0 EGABLO CC(=O)N(C)c1cccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000096461750 454359587 /nfs/dbraw/zinc/35/95/87/454359587.db2.gz QSIRDWRHJDCEAB-MRXNPFEDSA-N 1 2 341.415 3.152 40 0 EGABLO CC(=O)NC1CCC([NH2+]c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000133968372 454488533 /nfs/dbraw/zinc/48/85/33/454488533.db2.gz OJEDRJJELAKLKP-RCDYEMGKSA-N 1 2 345.487 3.159 40 0 EGABLO C[N@H+](Cc1nc2ccccc2s1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097364 454686608 /nfs/dbraw/zinc/68/66/08/454686608.db2.gz BYRVBQHUTOSROJ-HIFRSBDPSA-N 1 2 338.498 3.084 40 0 EGABLO C[N@@H+](Cc1nc2ccccc2s1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097364 454686613 /nfs/dbraw/zinc/68/66/13/454686613.db2.gz BYRVBQHUTOSROJ-HIFRSBDPSA-N 1 2 338.498 3.084 40 0 EGABLO Cc1cc(NC(=O)c2ccc3c(c2)CCC3)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000150694882 454882490 /nfs/dbraw/zinc/88/24/90/454882490.db2.gz ULLHDSAUYIRRKT-UHFFFAOYSA-N 1 2 347.422 3.329 40 0 EGABLO Cc1ccoc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000126905323 454925434 /nfs/dbraw/zinc/92/54/34/454925434.db2.gz WZLNHYWQVHQCNZ-CVEARBPZSA-N 1 2 348.830 3.043 40 0 EGABLO Cc1ccoc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000126905323 454925437 /nfs/dbraw/zinc/92/54/37/454925437.db2.gz WZLNHYWQVHQCNZ-CVEARBPZSA-N 1 2 348.830 3.043 40 0 EGABLO O=C(NC[C@@H](c1ccco1)[NH+]1CCSCC1)Nc1ccccc1F ZINC000244933259 455278484 /nfs/dbraw/zinc/27/84/84/455278484.db2.gz CJQFZJRREJRENM-HNNXBMFYSA-N 1 2 349.431 3.330 40 0 EGABLO Brc1ccc(C[N@@H+]2CCCN(c3ccccn3)CC2)o1 ZINC000191495752 455490711 /nfs/dbraw/zinc/49/07/11/455490711.db2.gz UWPMKGHATHHLMV-UHFFFAOYSA-N 1 2 336.233 3.149 40 0 EGABLO Brc1ccc(C[N@H+]2CCCN(c3ccccn3)CC2)o1 ZINC000191495752 455490713 /nfs/dbraw/zinc/49/07/13/455490713.db2.gz UWPMKGHATHHLMV-UHFFFAOYSA-N 1 2 336.233 3.149 40 0 EGABLO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(Br)o1 ZINC000193015915 455735180 /nfs/dbraw/zinc/73/51/80/455735180.db2.gz ZZAPSQGSXFGFGE-WCBMZHEXSA-N 1 2 325.210 3.128 40 0 EGABLO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)Cc1nnn(CC(F)(F)F)n1 ZINC000252507441 455816086 /nfs/dbraw/zinc/81/60/86/455816086.db2.gz WLULMYFMSZGJBW-CQSZACIVSA-N 1 2 345.344 3.204 40 0 EGABLO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnn(CC(F)(F)F)n1 ZINC000252507441 455816092 /nfs/dbraw/zinc/81/60/92/455816092.db2.gz WLULMYFMSZGJBW-CQSZACIVSA-N 1 2 345.344 3.204 40 0 EGABLO CCCOc1cccc2c(N3CCC(n4cncn4)CC3)cc[nH+]c12 ZINC000194709498 455875372 /nfs/dbraw/zinc/87/53/72/455875372.db2.gz YLDAKTZEUPVUDM-UHFFFAOYSA-N 1 2 337.427 3.457 40 0 EGABLO CNc1cc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C)nc(C)n1 ZINC000257288106 455882799 /nfs/dbraw/zinc/88/27/99/455882799.db2.gz PSWCNCZHMKEIMP-KRWDZBQOSA-N 1 2 336.443 3.051 40 0 EGABLO CNc1cc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3n2C)nc(C)n1 ZINC000257288106 455882801 /nfs/dbraw/zinc/88/28/01/455882801.db2.gz PSWCNCZHMKEIMP-KRWDZBQOSA-N 1 2 336.443 3.051 40 0 EGABLO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2F)n1 ZINC000257309469 455887874 /nfs/dbraw/zinc/88/78/74/455887874.db2.gz UBAZVJTYUMLMPS-IBGZPJMESA-N 1 2 345.393 3.333 40 0 EGABLO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2F)n1 ZINC000257309469 455887878 /nfs/dbraw/zinc/88/78/78/455887878.db2.gz UBAZVJTYUMLMPS-IBGZPJMESA-N 1 2 345.393 3.333 40 0 EGABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CCOc3ccccc3F)C2)[nH+]1 ZINC000257326309 455892150 /nfs/dbraw/zinc/89/21/50/455892150.db2.gz WWSHDQHZQLGSCK-CQSZACIVSA-N 1 2 331.391 3.032 40 0 EGABLO COc1ccc(C2(C(=O)N3CCC[C@@H](c4[nH]cc(C)[nH+]4)C3)CC2)cc1 ZINC000257339636 455895706 /nfs/dbraw/zinc/89/57/06/455895706.db2.gz ZCOUMEDHUWMPCI-OAHLLOKOSA-N 1 2 339.439 3.165 40 0 EGABLO O=C(NC1CC[NH+](Cc2cscn2)CC1)N1CCC[C@@H]1C1CCC1 ZINC000195529909 455979636 /nfs/dbraw/zinc/97/96/36/455979636.db2.gz OVCUSQIJPSJOJB-QGZVFWFLSA-N 1 2 348.516 3.082 40 0 EGABLO Cc1ccc([C@@](C)(O)C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)o1 ZINC000188071267 455991123 /nfs/dbraw/zinc/99/11/23/455991123.db2.gz UBSSOXKOQXQLOG-WMZOPIPTSA-N 1 2 329.375 3.037 40 0 EGABLO CCC(=O)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306143823 456570459 /nfs/dbraw/zinc/57/04/59/456570459.db2.gz YNOODITXQHJBTI-LJQANCHMSA-N 1 2 346.434 3.211 40 0 EGABLO COc1ccc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)nn1 ZINC000283284189 456750818 /nfs/dbraw/zinc/75/08/18/456750818.db2.gz XKMVUOLTZQMTSU-QAPCUYQASA-N 1 2 327.428 3.064 40 0 EGABLO COc1ccc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)nn1 ZINC000283284189 456750828 /nfs/dbraw/zinc/75/08/28/456750828.db2.gz XKMVUOLTZQMTSU-QAPCUYQASA-N 1 2 327.428 3.064 40 0 EGABLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC000329792055 456941150 /nfs/dbraw/zinc/94/11/50/456941150.db2.gz FDZWUCJLTPHKLP-ZDUSSCGKSA-N 1 2 340.452 3.143 40 0 EGABLO COc1ccc(CCC(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000575608151 459980708 /nfs/dbraw/zinc/98/07/08/459980708.db2.gz WUDYFJYJGZFMHR-IBGZPJMESA-N 1 2 340.423 3.093 40 0 EGABLO CCn1cc(C(=O)N2Cc3[nH+]cc(C)n3C[C@@H]2c2ccccc2)c(C)n1 ZINC000257246355 536031836 /nfs/dbraw/zinc/03/18/36/536031836.db2.gz ITSORQFXEDOECX-GOSISDBHSA-N 1 2 349.438 3.114 40 0 EGABLO CCCCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1(C)C ZINC000368456664 168358727 /nfs/dbraw/zinc/35/87/27/168358727.db2.gz BYOINRXQQMSGAR-CWRNSKLLSA-N 1 2 333.476 3.272 40 0 EGABLO CCOC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038834618 213228868 /nfs/dbraw/zinc/22/88/68/213228868.db2.gz SZUMAKLVSLVSBS-UHFFFAOYSA-N 1 2 349.390 3.360 40 0 EGABLO Cc1nc(CN2CC[C@@H]2c2cc(NC3CCCC3)nc(C)[nH+]2)co1 ZINC000072387512 216186880 /nfs/dbraw/zinc/18/68/80/216186880.db2.gz VHRCTGXTGWCQGF-QGZVFWFLSA-N 1 2 327.432 3.383 40 0 EGABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)C2CCCC2)cc[nH+]1 ZINC000072391741 216190499 /nfs/dbraw/zinc/19/04/99/216190499.db2.gz IJHMXKIDCSQYJR-INIZCTEOSA-N 1 2 339.443 3.298 40 0 EGABLO O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131219887 223214562 /nfs/dbraw/zinc/21/45/62/223214562.db2.gz UHCFCHFWZUIZEL-QGZVFWFLSA-N 1 2 348.450 3.281 40 0 EGABLO Cc1noc2nc(C)cc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)c12 ZINC000023890382 212399349 /nfs/dbraw/zinc/39/93/49/212399349.db2.gz OCSSQMPKJRSZEJ-UHFFFAOYSA-N 1 2 333.351 3.278 40 0 EGABLO C[N@@H+]1CCc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2C1 ZINC000022698903 212318700 /nfs/dbraw/zinc/31/87/00/212318700.db2.gz YDTOTQFJYKVIQW-UHFFFAOYSA-N 1 2 341.358 3.402 40 0 EGABLO C[N@H+]1CCc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2C1 ZINC000022698903 212318704 /nfs/dbraw/zinc/31/87/04/212318704.db2.gz YDTOTQFJYKVIQW-UHFFFAOYSA-N 1 2 341.358 3.402 40 0 EGABLO CC[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000216466755 241196244 /nfs/dbraw/zinc/19/62/44/241196244.db2.gz LPAKZVSJEMSLLE-FQEVSTJZSA-N 1 2 338.451 3.400 40 0 EGABLO COc1ccc2nc(SCc3[nH+]cc(C)c(OC)c3C)[nH]c2n1 ZINC000021984015 212267715 /nfs/dbraw/zinc/26/77/15/212267715.db2.gz ZZRLRRBNMPMTIL-UHFFFAOYSA-N 1 2 330.413 3.279 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)Cc3ccc(OC)cc3)C2)cc[nH+]1 ZINC000257244054 244253665 /nfs/dbraw/zinc/25/36/65/244253665.db2.gz IJQYMYNVFMJORE-KRWDZBQOSA-N 1 2 339.439 3.081 40 0 EGABLO Cc1cc([C@H]2CCCC[N@@H+]2Cc2ncccc2F)nc2nccn21 ZINC000257271768 244379494 /nfs/dbraw/zinc/37/94/94/244379494.db2.gz MZSJHJRBKWSNKM-QGZVFWFLSA-N 1 2 325.391 3.299 40 0 EGABLO Cc1cc([C@H]2CCCC[N@H+]2Cc2ncccc2F)nc2nccn21 ZINC000257271768 244379498 /nfs/dbraw/zinc/37/94/98/244379498.db2.gz MZSJHJRBKWSNKM-QGZVFWFLSA-N 1 2 325.391 3.299 40 0 EGABLO Cc1c[nH]c(-c2cnc(CC3CCN(c4cccc[nH+]4)CC3)cn2)n1 ZINC000257334977 244561539 /nfs/dbraw/zinc/56/15/39/244561539.db2.gz YIBRJJXKPCCMRU-UHFFFAOYSA-N 1 2 334.427 3.029 40 0 EGABLO C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000079039503 217179320 /nfs/dbraw/zinc/17/93/20/217179320.db2.gz FKHBKAJMAUZMBS-APWZRJJASA-N 1 2 346.471 3.053 40 0 EGABLO CCCC[C@@H](CC)CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110747266 220063922 /nfs/dbraw/zinc/06/39/22/220063922.db2.gz IVQGYEQGAQPAQN-QGZVFWFLSA-N 1 2 332.488 3.465 40 0 EGABLO Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc(N(C)C)cc3)CC2)o1 ZINC000012114358 211292646 /nfs/dbraw/zinc/29/26/46/211292646.db2.gz AQIQFRGMPKUZNY-UHFFFAOYSA-N 1 2 339.439 3.382 40 0 EGABLO Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc(N(C)C)cc3)CC2)o1 ZINC000012114358 211292650 /nfs/dbraw/zinc/29/26/50/211292650.db2.gz AQIQFRGMPKUZNY-UHFFFAOYSA-N 1 2 339.439 3.382 40 0 EGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000012116419 211296257 /nfs/dbraw/zinc/29/62/57/211296257.db2.gz GXNGOQZZCLCIRH-HNNXBMFYSA-N 1 2 340.471 3.239 40 0 EGABLO c1cn(CCSc2nnc(-c3ccccn3)n2-c2ccccc2)c[nH+]1 ZINC000095446266 218389915 /nfs/dbraw/zinc/38/99/15/218389915.db2.gz FKSUKYVNWFAJEM-UHFFFAOYSA-N 1 2 348.435 3.318 40 0 EGABLO Cc1c2c(c(C)n1-c1ccccc1)[C@@]1([NH2+]CC2)c2ccccc2NC1=O ZINC000023873410 301014922 /nfs/dbraw/zinc/01/49/22/301014922.db2.gz FFSUVKGGVMSLSO-QFIPXVFZSA-N 1 2 343.430 3.436 40 0 EGABLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)o1 ZINC000097373723 323215688 /nfs/dbraw/zinc/21/56/88/323215688.db2.gz LBXCPBZOBSCYLQ-QWRGUYRKSA-N 1 2 329.379 3.423 40 0 EGABLO Cc1cnc([C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C2CC2)s1 ZINC000390835528 324283910 /nfs/dbraw/zinc/28/39/10/324283910.db2.gz PPOCGILRRAGDHT-OAHLLOKOSA-N 1 2 345.472 3.215 40 0 EGABLO Cc1cnc([C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C2CC2)s1 ZINC000390835528 324283913 /nfs/dbraw/zinc/28/39/13/324283913.db2.gz PPOCGILRRAGDHT-OAHLLOKOSA-N 1 2 345.472 3.215 40 0 EGABLO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccccc1C(C)=O ZINC000000810212 452637567 /nfs/dbraw/zinc/63/75/67/452637567.db2.gz SPSKYOXRETUSGB-OAHLLOKOSA-N 1 2 338.407 3.241 40 0 EGABLO Cc1nc2cc([C@H]3CC[N@H+](CC4CCCCC4)C3)[nH]n2c(=O)c1C ZINC000012745711 453397228 /nfs/dbraw/zinc/39/72/28/453397228.db2.gz CTRPJUOTBBJXNA-INIZCTEOSA-N 1 2 328.460 3.421 40 0 EGABLO Cc1nc2cc([C@H]3CC[N@@H+](CC4CCCCC4)C3)[nH]n2c(=O)c1C ZINC000012745711 453397233 /nfs/dbraw/zinc/39/72/33/453397233.db2.gz CTRPJUOTBBJXNA-INIZCTEOSA-N 1 2 328.460 3.421 40 0 EGABLO Cc1ccc(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)c(C)c1 ZINC000016704525 453620555 /nfs/dbraw/zinc/62/05/55/453620555.db2.gz HBBWHEHWZJGKCV-UHFFFAOYSA-N 1 2 340.496 3.213 40 0 EGABLO Cc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)[nH+]c2ccccc12 ZINC000019118960 453654084 /nfs/dbraw/zinc/65/40/84/453654084.db2.gz TVJPUKIEQICGFX-ZIFCJYIRSA-N 1 2 347.462 3.404 40 0 EGABLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(C(F)(F)F)nc1 ZINC000026355025 453797579 /nfs/dbraw/zinc/79/75/79/453797579.db2.gz NEOVZXZFHKUXCW-UHFFFAOYSA-N 1 2 348.328 3.189 40 0 EGABLO O=C(NCCCCn1cc[nH+]c1)N[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000077550529 454121385 /nfs/dbraw/zinc/12/13/85/454121385.db2.gz ZEHXLBTVDICFQV-HOTGVXAUSA-N 1 2 332.835 3.172 40 0 EGABLO COc1ccccc1[C@H](NC(=O)c1ccsc1)c1[nH+]ccn1C ZINC000044890364 454124513 /nfs/dbraw/zinc/12/45/13/454124513.db2.gz QMFXYPRAMJJCLL-HNNXBMFYSA-N 1 2 327.409 3.010 40 0 EGABLO CC(C)c1cc(C(=O)N2C[C@H](C)[N@H+](Cc3ccco3)C[C@@H]2C)on1 ZINC000057796520 454147224 /nfs/dbraw/zinc/14/72/24/454147224.db2.gz XURZSILMAZJQEN-KBPBESRZSA-N 1 2 331.416 3.126 40 0 EGABLO CC(C)c1cc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccco3)C[C@@H]2C)on1 ZINC000057796520 454147227 /nfs/dbraw/zinc/14/72/27/454147227.db2.gz XURZSILMAZJQEN-KBPBESRZSA-N 1 2 331.416 3.126 40 0 EGABLO CSc1ncc(C[N@@H+](Cc2ccc(C)o2)C[C@H]2CCCO2)cn1 ZINC000057811253 454148211 /nfs/dbraw/zinc/14/82/11/454148211.db2.gz RDNCMVNQRSLILG-OAHLLOKOSA-N 1 2 333.457 3.281 40 0 EGABLO CSc1ncc(C[N@H+](Cc2ccc(C)o2)C[C@H]2CCCO2)cn1 ZINC000057811253 454148214 /nfs/dbraw/zinc/14/82/14/454148214.db2.gz RDNCMVNQRSLILG-OAHLLOKOSA-N 1 2 333.457 3.281 40 0 EGABLO CCOC[C@@H]1C[N@H+](Cc2ccccc2OC)Cc2nn(CC)cc21 ZINC000096045219 454267795 /nfs/dbraw/zinc/26/77/95/454267795.db2.gz KPPGGYFHBWOXOL-INIZCTEOSA-N 1 2 329.444 3.048 40 0 EGABLO CCOC[C@@H]1C[N@@H+](Cc2ccccc2OC)Cc2nn(CC)cc21 ZINC000096045219 454267800 /nfs/dbraw/zinc/26/78/00/454267800.db2.gz KPPGGYFHBWOXOL-INIZCTEOSA-N 1 2 329.444 3.048 40 0 EGABLO Fc1ccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)cc1 ZINC000096058061 454275076 /nfs/dbraw/zinc/27/50/76/454275076.db2.gz VQANFYNCDBGGDI-RCCFBDPRSA-N 1 2 346.377 3.171 40 0 EGABLO Fc1ccc(C[N@H+]2CCO[C@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)cc1 ZINC000096058061 454275081 /nfs/dbraw/zinc/27/50/81/454275081.db2.gz VQANFYNCDBGGDI-RCCFBDPRSA-N 1 2 346.377 3.171 40 0 EGABLO Cc1cc(N2CCCC2)[nH+]cc1C(=O)CCCNC(=O)OC(C)(C)C ZINC000072218844 454275772 /nfs/dbraw/zinc/27/57/72/454275772.db2.gz QKDAWQACAOWGEK-UHFFFAOYSA-N 1 2 347.459 3.478 40 0 EGABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2cc3ccccc3s2)C1 ZINC000096208280 454304658 /nfs/dbraw/zinc/30/46/58/454304658.db2.gz JXDJUXOHYMZSFH-CYBMUJFWSA-N 1 2 341.436 3.016 40 0 EGABLO O=C(NC1CCCCC1)N1CC[C@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216827 454306950 /nfs/dbraw/zinc/30/69/50/454306950.db2.gz BVFBNRHVJGYSKZ-HXUWFJFHSA-N 1 2 342.487 3.416 40 0 EGABLO CC[C@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1nccs1 ZINC000096415364 454331101 /nfs/dbraw/zinc/33/11/01/454331101.db2.gz GCTAPSZJCIFOTB-LBPRGKRZSA-N 1 2 334.445 3.114 40 0 EGABLO CO[C@H](C(=O)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21)c1ccccc1 ZINC000096426008 454339581 /nfs/dbraw/zinc/33/95/81/454339581.db2.gz HLVNFLALAMMCRC-ICSRJNTNSA-N 1 2 347.418 3.401 40 0 EGABLO O=C(NCCNc1cccc[nH+]1)c1ncoc1-c1ccccc1Cl ZINC000096435992 454347812 /nfs/dbraw/zinc/34/78/12/454347812.db2.gz FUNNBEDHCCIZDM-UHFFFAOYSA-N 1 2 342.786 3.232 40 0 EGABLO Cc1cccc(CO[C@@H]2CCOC3(C[NH+](Cc4cccs4)C3)C2)n1 ZINC000247896925 455653482 /nfs/dbraw/zinc/65/34/82/455653482.db2.gz XURUGCVVFIWUDK-QGZVFWFLSA-N 1 2 344.480 3.402 40 0 EGABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2ccsc2)cc1 ZINC000257297546 455885229 /nfs/dbraw/zinc/88/52/29/455885229.db2.gz RHTAKXQHTKOAJQ-INIZCTEOSA-N 1 2 339.420 3.351 40 0 EGABLO Cc1ncc(-c2nccnc2C[C@@H]2CCCN(c3cccc[nH+]3)C2)n1C ZINC000257312085 455888647 /nfs/dbraw/zinc/88/86/47/455888647.db2.gz UMLJUXOJHRZMHY-INIZCTEOSA-N 1 2 348.454 3.040 40 0 EGABLO CC(C)n1cc[nH+]c1CN1CCCC[C@H]1c1ccnc(N(C)C)n1 ZINC000257310742 455888764 /nfs/dbraw/zinc/88/87/64/455888764.db2.gz UGIRPEQKKPHDAM-INIZCTEOSA-N 1 2 328.464 3.047 40 0 EGABLO CNc1nccc([C@H]2CCCC[N@@H+]2Cc2cnc(C(C)C)nc2)n1 ZINC000257318268 455890741 /nfs/dbraw/zinc/89/07/41/455890741.db2.gz VNEGDDXCFNJNHY-MRXNPFEDSA-N 1 2 326.448 3.159 40 0 EGABLO CNc1nccc([C@H]2CCCC[N@H+]2Cc2cnc(C(C)C)nc2)n1 ZINC000257318268 455890743 /nfs/dbraw/zinc/89/07/43/455890743.db2.gz VNEGDDXCFNJNHY-MRXNPFEDSA-N 1 2 326.448 3.159 40 0 EGABLO CCCn1ccnc1C[NH+]1CC2(C1)CO[C@H](Cc1cccc(F)c1)C2 ZINC000257342257 455895908 /nfs/dbraw/zinc/89/59/08/455895908.db2.gz ZNUUISSWDIMIFE-GOSISDBHSA-N 1 2 343.446 3.266 40 0 EGABLO CCCn1cc[nH+]c1CN1CC2(C1)CO[C@H](Cc1cccc(F)c1)C2 ZINC000257342257 455895910 /nfs/dbraw/zinc/89/59/10/455895910.db2.gz ZNUUISSWDIMIFE-GOSISDBHSA-N 1 2 343.446 3.266 40 0 EGABLO COc1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225452745 456084363 /nfs/dbraw/zinc/08/43/63/456084363.db2.gz YRMIUBPXDYPDSZ-UHFFFAOYSA-N 1 2 338.436 3.368 40 0 EGABLO CC[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1c(C)noc1C ZINC000225483365 456087793 /nfs/dbraw/zinc/08/77/93/456087793.db2.gz MSDZMNNOBHMDFO-CYBMUJFWSA-N 1 2 333.461 3.198 40 0 EGABLO CC[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1c(C)noc1C ZINC000225483365 456087799 /nfs/dbraw/zinc/08/77/99/456087799.db2.gz MSDZMNNOBHMDFO-CYBMUJFWSA-N 1 2 333.461 3.198 40 0 EGABLO Nc1ccc([NH+]2CCCCC2)c(NC(=O)COc2ccccc2)c1 ZINC000226253289 456107647 /nfs/dbraw/zinc/10/76/47/456107647.db2.gz NPPOGJJHGDXLMS-UHFFFAOYSA-N 1 2 325.412 3.277 40 0 EGABLO C[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1nc(C(C)(C)C)cs1 ZINC000302920872 456436433 /nfs/dbraw/zinc/43/64/33/456436433.db2.gz ZOYYTPNRQHQJBL-LBPRGKRZSA-N 1 2 347.488 3.240 40 0 EGABLO C[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1nc(C(C)(C)C)cs1 ZINC000302920872 456436436 /nfs/dbraw/zinc/43/64/36/456436436.db2.gz ZOYYTPNRQHQJBL-LBPRGKRZSA-N 1 2 347.488 3.240 40 0 EGABLO Cc1ccc2nc([C@H]3CCCN(c4cc[nH+]c(N(C)C)n4)C3)[nH]c2c1 ZINC000685913007 550454285 /nfs/dbraw/zinc/45/42/85/550454285.db2.gz WUEIXSNUUHFRDH-AWEZNQCLSA-N 1 2 336.443 3.111 40 0 EGABLO Cc1ccc2[nH]c([C@H]3CCCN(c4cc[nH+]c(N(C)C)n4)C3)nc2c1 ZINC000685913007 550454288 /nfs/dbraw/zinc/45/42/88/550454288.db2.gz WUEIXSNUUHFRDH-AWEZNQCLSA-N 1 2 336.443 3.111 40 0 EGABLO C[C@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1cscc1C(F)F ZINC000903634079 1317714609 /nfs/dbraw/zinc/71/46/09/1317714609.db2.gz UTGKLZLWKFGRSE-QMMMGPOBSA-N 1 2 330.381 3.221 40 0 EGABLO COC(=O)c1ccccc1Nc1cc(N)[nH+]c(-c2ccc(F)cc2)n1 ZINC000049467980 214010467 /nfs/dbraw/zinc/01/04/67/214010467.db2.gz UQNGLMCIUWXXMA-UHFFFAOYSA-N 1 2 338.342 3.395 40 0 EGABLO CN(C)c1noc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)n1 ZINC000192784067 529818645 /nfs/dbraw/zinc/81/86/45/529818645.db2.gz LLMQFEZCEXVSJQ-KRWDZBQOSA-N 1 2 340.402 3.348 40 0 EGABLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000066317675 215033235 /nfs/dbraw/zinc/03/32/35/215033235.db2.gz UFYZDMJVNRAFRX-WOJBJXKFSA-N 1 2 331.419 3.351 40 0 EGABLO COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000038851899 213228347 /nfs/dbraw/zinc/22/83/47/213228347.db2.gz CWYIXOGZURMCDK-UHFFFAOYSA-N 1 2 349.390 3.279 40 0 EGABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000072378405 216178498 /nfs/dbraw/zinc/17/84/98/216178498.db2.gz KLZGVUNDBMHGSH-QGZVFWFLSA-N 1 2 347.422 3.202 40 0 EGABLO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)nc2)cc1 ZINC000072577602 216277346 /nfs/dbraw/zinc/27/73/46/216277346.db2.gz RMHVGATUWKHWLD-INIZCTEOSA-N 1 2 345.830 3.347 40 0 EGABLO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)nc2)cc1 ZINC000072577602 216277349 /nfs/dbraw/zinc/27/73/49/216277349.db2.gz RMHVGATUWKHWLD-INIZCTEOSA-N 1 2 345.830 3.347 40 0 EGABLO CCOc1ccccc1CCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000023319717 212367218 /nfs/dbraw/zinc/36/72/18/212367218.db2.gz UHMGIHAUCQOHFS-UHFFFAOYSA-N 1 2 337.423 3.025 40 0 EGABLO S=C(NCc1nc(-c2ccccc2Cl)no1)Nc1cc[nH+]cc1 ZINC000225820037 242052098 /nfs/dbraw/zinc/05/20/98/242052098.db2.gz RYOZASCZDLLPSU-UHFFFAOYSA-N 1 2 345.815 3.272 40 0 EGABLO Cc1cc2[nH+]cn(CC(=O)NCc3ccc(F)c(C)c3)c2cc1C ZINC000021617940 212234623 /nfs/dbraw/zinc/23/46/23/212234623.db2.gz QOHITGIZKMZNCL-UHFFFAOYSA-N 1 2 325.387 3.417 40 0 EGABLO O=C(c1cc2c(s1)CCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020892950 212183178 /nfs/dbraw/zinc/18/31/78/212183178.db2.gz XLGIPXYMOQGLOO-UHFFFAOYSA-N 1 2 326.465 3.195 40 0 EGABLO Cc1csc(C(=O)NC[C@H](c2ccco2)[NH+]2CCSCC2)c1 ZINC000253403989 243909774 /nfs/dbraw/zinc/90/97/74/243909774.db2.gz QTVIOBKOBUZSFC-CYBMUJFWSA-N 1 2 336.482 3.169 40 0 EGABLO Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3ccc4c(c3)CCCC4)C2)[nH+]1 ZINC000257200356 244117876 /nfs/dbraw/zinc/11/78/76/244117876.db2.gz ACYJNGHRJXMBHX-LJQANCHMSA-N 1 2 337.467 3.166 40 0 EGABLO O=C(c1ccc2[nH]cnc2c1)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257219102 244176131 /nfs/dbraw/zinc/17/61/31/244176131.db2.gz DFPBTCKTSUZQGG-UHFFFAOYSA-N 1 2 345.406 3.230 40 0 EGABLO CNc1cc([C@@H]2CCCN2C(=O)c2cn3c(cccc3C)n2)cc[nH+]1 ZINC000257208461 244144576 /nfs/dbraw/zinc/14/45/76/244144576.db2.gz BMFWDNGVJRKFBS-INIZCTEOSA-N 1 2 335.411 3.057 40 0 EGABLO CN(C(=O)c1cnc2ccccc2c1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257252214 244272344 /nfs/dbraw/zinc/27/23/44/244272344.db2.gz JTYKLPCDGSJYRJ-SFHVURJKSA-N 1 2 346.434 3.371 40 0 EGABLO Cc1ccc(CC(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)s1 ZINC000257259699 244293527 /nfs/dbraw/zinc/29/35/27/244293527.db2.gz KZOUGCYNWSWPCC-HNNXBMFYSA-N 1 2 329.469 3.121 40 0 EGABLO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCC[N@@H+]2Cc2cscn2)n1 ZINC000257265628 244360533 /nfs/dbraw/zinc/36/05/33/244360533.db2.gz LZNTXJDQJLCLOR-MRXNPFEDSA-N 1 2 340.456 3.359 40 0 EGABLO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCC[N@H+]2Cc2cscn2)n1 ZINC000257265628 244360540 /nfs/dbraw/zinc/36/05/40/244360540.db2.gz LZNTXJDQJLCLOR-MRXNPFEDSA-N 1 2 340.456 3.359 40 0 EGABLO COc1ccc2[nH]c(=O)c(CNc3ccccc3-n3cc[nH+]c3)cc2c1 ZINC000019563563 212043541 /nfs/dbraw/zinc/04/35/41/212043541.db2.gz QAJHCOZCUQAREY-UHFFFAOYSA-N 1 2 346.390 3.335 40 0 EGABLO Cn1cc(/C=C/C(=O)NCCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000079489183 217233074 /nfs/dbraw/zinc/23/30/74/217233074.db2.gz QLXXRGBMWZVEQZ-MDZDMXLPSA-N 1 2 348.450 3.083 40 0 EGABLO CCOc1ccc(-c2n[nH]c([C@@H]([NH3+])Cc3ccccc3)n2)cc1OC ZINC000095534939 257700150 /nfs/dbraw/zinc/70/01/50/257700150.db2.gz CNMXYLPOXHRTAZ-HNNXBMFYSA-N 1 2 338.411 3.122 40 0 EGABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2cccs2)cc1 ZINC000257269578 286364503 /nfs/dbraw/zinc/36/45/03/286364503.db2.gz MQNVJSKDNOGZAI-HNNXBMFYSA-N 1 2 339.420 3.351 40 0 EGABLO CCN(C[C@@H]1CCN(C(=O)Nc2cc[nH+]cc2C)C1)CC(F)(F)F ZINC000120511559 221598750 /nfs/dbraw/zinc/59/87/50/221598750.db2.gz WKLFYQKZAIKRSA-ZDUSSCGKSA-N 1 2 344.381 3.128 40 0 EGABLO C[C@@H]1c2nc(C(=O)N3CCCCC3)cn2CC[N@H+]1CC1CCCC1 ZINC000253590987 289099425 /nfs/dbraw/zinc/09/94/25/289099425.db2.gz HYVYNINSUBLJJN-OAHLLOKOSA-N 1 2 330.476 3.076 40 0 EGABLO C[C@@H]1c2nc(C(=O)N3CCCCC3)cn2CC[N@@H+]1CC1CCCC1 ZINC000253590987 289099427 /nfs/dbraw/zinc/09/94/27/289099427.db2.gz HYVYNINSUBLJJN-OAHLLOKOSA-N 1 2 330.476 3.076 40 0 EGABLO O=C(CSc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000031850663 453856439 /nfs/dbraw/zinc/85/64/39/453856439.db2.gz HIXILQGRZVWJFG-UHFFFAOYSA-N 1 2 326.465 3.123 40 0 EGABLO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCCCC2)on1 ZINC000044896582 454125311 /nfs/dbraw/zinc/12/53/11/454125311.db2.gz KOFVBFASEPMSTF-UHFFFAOYSA-N 1 2 342.443 3.044 40 0 EGABLO Cc1cc(NC(=O)C[N@H+](C)Cc2ccccc2N2CCCCC2)on1 ZINC000044896582 454125314 /nfs/dbraw/zinc/12/53/14/454125314.db2.gz KOFVBFASEPMSTF-UHFFFAOYSA-N 1 2 342.443 3.044 40 0 EGABLO CCn1c(C[NH+]2CCC(C(=O)c3cccnc3)CC2)cnc1SC ZINC000057811389 454147821 /nfs/dbraw/zinc/14/78/21/454147821.db2.gz CVUYMWQPWWKUTL-UHFFFAOYSA-N 1 2 344.484 3.115 40 0 EGABLO O=C(C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1)c1c[nH]c2ccccc12 ZINC000058147663 454165143 /nfs/dbraw/zinc/16/51/43/454165143.db2.gz OIEUBMIDQXUCAZ-IYBDPMFKSA-N 1 2 342.439 3.011 40 0 EGABLO O=C(C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1)c1c[nH]c2ccccc12 ZINC000058147663 454165147 /nfs/dbraw/zinc/16/51/47/454165147.db2.gz OIEUBMIDQXUCAZ-IYBDPMFKSA-N 1 2 342.439 3.011 40 0 EGABLO CCOC[C@H]1C[N@H+](Cc2ccccc2OC)Cc2nn(CC)cc21 ZINC000096045218 454268157 /nfs/dbraw/zinc/26/81/57/454268157.db2.gz KPPGGYFHBWOXOL-MRXNPFEDSA-N 1 2 329.444 3.048 40 0 EGABLO CCOC[C@H]1C[N@@H+](Cc2ccccc2OC)Cc2nn(CC)cc21 ZINC000096045218 454268159 /nfs/dbraw/zinc/26/81/59/454268159.db2.gz KPPGGYFHBWOXOL-MRXNPFEDSA-N 1 2 329.444 3.048 40 0 EGABLO Cc1ccc(CN2C[C@@H]([N@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]32)o1 ZINC000096056370 454274671 /nfs/dbraw/zinc/27/46/71/454274671.db2.gz FRMRLZAXIZVFAX-QRVBRYPASA-N 1 2 330.428 3.045 40 0 EGABLO Cc1ccc(CN2C[C@@H]([N@@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]32)o1 ZINC000096056370 454274676 /nfs/dbraw/zinc/27/46/76/454274676.db2.gz FRMRLZAXIZVFAX-QRVBRYPASA-N 1 2 330.428 3.045 40 0 EGABLO CCOC[C@H]1C[N@H+](Cc2ccc(C)o2)Cc2nn(CC3CC3)cc21 ZINC000096060479 454275897 /nfs/dbraw/zinc/27/58/97/454275897.db2.gz WRFDDXLTIITHQK-MRXNPFEDSA-N 1 2 329.444 3.330 40 0 EGABLO CCOC[C@H]1C[N@@H+](Cc2ccc(C)o2)Cc2nn(CC3CC3)cc21 ZINC000096060479 454275900 /nfs/dbraw/zinc/27/59/00/454275900.db2.gz WRFDDXLTIITHQK-MRXNPFEDSA-N 1 2 329.444 3.330 40 0 EGABLO CCn1cc2c(n1)C[N@@H+](Cc1ccc(C)o1)C[C@H]2COCC1CC1 ZINC000096060427 454276130 /nfs/dbraw/zinc/27/61/30/454276130.db2.gz MVHSCQULNUNIMN-INIZCTEOSA-N 1 2 329.444 3.330 40 0 EGABLO CCn1cc2c(n1)C[N@H+](Cc1ccc(C)o1)C[C@H]2COCC1CC1 ZINC000096060427 454276135 /nfs/dbraw/zinc/27/61/35/454276135.db2.gz MVHSCQULNUNIMN-INIZCTEOSA-N 1 2 329.444 3.330 40 0 EGABLO COc1ccccc1C[N@@H+]1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC000096109755 454286054 /nfs/dbraw/zinc/28/60/54/454286054.db2.gz OBOKOAWQEJWPMM-HNNXBMFYSA-N 1 2 341.455 3.395 40 0 EGABLO COc1ccccc1C[N@H+]1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC000096109755 454286060 /nfs/dbraw/zinc/28/60/60/454286060.db2.gz OBOKOAWQEJWPMM-HNNXBMFYSA-N 1 2 341.455 3.395 40 0 EGABLO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@@H+](Cc1scnc1C)C2 ZINC000096198118 454302153 /nfs/dbraw/zinc/30/21/53/454302153.db2.gz OPRYATJSCAWARN-MRXNPFEDSA-N 1 2 346.500 3.194 40 0 EGABLO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@H+](Cc1scnc1C)C2 ZINC000096198118 454302157 /nfs/dbraw/zinc/30/21/57/454302157.db2.gz OPRYATJSCAWARN-MRXNPFEDSA-N 1 2 346.500 3.194 40 0 EGABLO O=C(C1=CCCC1)N1CC[C@@]2(C1)CCC[C@@H](CNc1cccc[nH+]1)O2 ZINC000096214924 454305498 /nfs/dbraw/zinc/30/54/98/454305498.db2.gz BJROGJFJOOFXBM-FXAWDEMLSA-N 1 2 341.455 3.144 40 0 EGABLO CCC[C@@H](c1nnnn1C(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000096299526 454317208 /nfs/dbraw/zinc/31/72/08/454317208.db2.gz OKPOORCZLHUNBM-KRWDZBQOSA-N 1 2 346.454 3.057 40 0 EGABLO C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cn1nc(-c3ccco3)ccc1=O)C2 ZINC000096343622 454319759 /nfs/dbraw/zinc/31/97/59/454319759.db2.gz SKGVJFDLGNUGNX-AUUYWEPGSA-N 1 2 327.428 3.361 40 0 EGABLO C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cn1nc(-c3ccco3)ccc1=O)C2 ZINC000096343622 454319762 /nfs/dbraw/zinc/31/97/62/454319762.db2.gz SKGVJFDLGNUGNX-AUUYWEPGSA-N 1 2 327.428 3.361 40 0 EGABLO Cc1csc(-c2cccc(C(=O)N[C@@H](C)Cn3cc[nH+]c3)c2)n1 ZINC000096416896 454333540 /nfs/dbraw/zinc/33/35/40/454333540.db2.gz PVVHPJISAGTYQA-LBPRGKRZSA-N 1 2 326.425 3.134 40 0 EGABLO Cc1occc1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000096418067 454334054 /nfs/dbraw/zinc/33/40/54/454334054.db2.gz NUMHCQFFCALUIW-UHFFFAOYSA-N 1 2 340.383 3.185 40 0 EGABLO COC(C)(C)C[C@H](C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000096434632 454345224 /nfs/dbraw/zinc/34/52/24/454345224.db2.gz TWEYUMQDWODJMX-ZDUSSCGKSA-N 1 2 330.432 3.412 40 0 EGABLO CC[C@@H](C)C[C@H](C)NC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000096439782 454349804 /nfs/dbraw/zinc/34/98/04/454349804.db2.gz HKNHEUBHVVGAEJ-KGLIPLIRSA-N 1 2 338.521 3.231 40 0 EGABLO Cc1ccoc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000126905552 454925477 /nfs/dbraw/zinc/92/54/77/454925477.db2.gz WZLNHYWQVHQCNZ-HZPDHXFCSA-N 1 2 348.830 3.043 40 0 EGABLO Cc1ccoc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000126905552 454925482 /nfs/dbraw/zinc/92/54/82/454925482.db2.gz WZLNHYWQVHQCNZ-HZPDHXFCSA-N 1 2 348.830 3.043 40 0 EGABLO Cc1nnc(C[N@@H+](C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)n1C ZINC000190358045 455302304 /nfs/dbraw/zinc/30/23/04/455302304.db2.gz GJGFKNXKGNDOPE-JTQLQIEISA-N 1 2 343.258 3.330 40 0 EGABLO Cc1nnc(C[N@H+](C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)n1C ZINC000190358045 455302309 /nfs/dbraw/zinc/30/23/09/455302309.db2.gz GJGFKNXKGNDOPE-JTQLQIEISA-N 1 2 343.258 3.330 40 0 EGABLO Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 ZINC000252477767 455807701 /nfs/dbraw/zinc/80/77/01/455807701.db2.gz VFPZFEGQNJRYCO-ARFHVFGLSA-N 1 2 340.427 3.022 40 0 EGABLO O=C(CCc1[nH]cc[nH+]1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000252498786 455815333 /nfs/dbraw/zinc/81/53/33/455815333.db2.gz RLBAMTLLLPDLNS-UHFFFAOYSA-N 1 2 345.830 3.117 40 0 EGABLO CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2ccncc2)[nH+]1 ZINC000257285223 455882814 /nfs/dbraw/zinc/88/28/14/455882814.db2.gz PGEIWEPKQZZFPX-SFHVURJKSA-N 1 2 338.455 3.170 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)c3cc(CC(C)C)no3)C2)cc[nH+]1 ZINC000257297128 455885195 /nfs/dbraw/zinc/88/51/95/455885195.db2.gz RFZNLWCXKZCSNQ-OAHLLOKOSA-N 1 2 342.443 3.330 40 0 EGABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)C3(c4ccccc4F)CC3)C2)[nH+]1 ZINC000257326874 455891505 /nfs/dbraw/zinc/89/15/05/455891505.db2.gz WYYRCDTYGWTXEE-OAHLLOKOSA-N 1 2 341.430 3.305 40 0 EGABLO CCOc1cc(N2CCC(n3c(C)[nH+]c4ccccc43)CC2)ncn1 ZINC000280136065 455900283 /nfs/dbraw/zinc/90/02/83/455900283.db2.gz DUTCATQULXKJSR-UHFFFAOYSA-N 1 2 337.427 3.375 40 0 EGABLO O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000195539007 455980884 /nfs/dbraw/zinc/98/08/84/455980884.db2.gz LQDYXUFLKHCOPH-FGTMMUONSA-N 1 2 326.371 3.004 40 0 EGABLO O=C(c1ccco1)N1CCC2(Cc3[nH+]cc(-c4cccnc4)n3C2)CC1 ZINC000306134956 456567679 /nfs/dbraw/zinc/56/76/79/456567679.db2.gz OCJXLFSMEPJHDJ-UHFFFAOYSA-N 1 2 348.406 3.017 40 0 EGABLO COCc1ccccc1/C=C(\C)C[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC000646048634 462503210 /nfs/dbraw/zinc/50/32/10/462503210.db2.gz IRIKQHGKIJXQAC-IYYMRFBLSA-N 1 2 344.499 3.033 40 0 EGABLO Cc1cc(C)cc(OCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000224111300 547246195 /nfs/dbraw/zinc/24/61/95/547246195.db2.gz FRVGSYXDIQQIBW-UHFFFAOYSA-N 1 2 349.434 3.357 40 0 EGABLO Cc1ccccc1OCc1ccc(C(=O)NCCCn2cc[nH+]c2)o1 ZINC000027972828 1291298042 /nfs/dbraw/zinc/29/80/42/1291298042.db2.gz YMXWENXUINJXHQ-UHFFFAOYSA-N 1 2 339.395 3.184 40 0 EGABLO Cc1[nH]c([C@@H]2CCCN2c2ccnc(-c3nccs3)n2)[nH+]c1C ZINC000895196878 1309235503 /nfs/dbraw/zinc/23/55/03/1309235503.db2.gz NKJJEEMOTXPSOM-LBPRGKRZSA-N 1 2 326.429 3.282 40 0 EGABLO CN1c2cc(Nc3[nH+]cnc4[nH]ccc43)ccc2OCC(C)(C)C1=O ZINC000896649264 1309955260 /nfs/dbraw/zinc/95/52/60/1309955260.db2.gz GLMCNTXXBZDBOB-UHFFFAOYSA-N 1 2 337.383 3.083 40 0 EGABLO CCCCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1(C)C ZINC000368456666 168359224 /nfs/dbraw/zinc/35/92/24/168359224.db2.gz BYOINRXQQMSGAR-NUEKZKHPSA-N 1 2 333.476 3.272 40 0 EGABLO Clc1ccccc1-n1ncc2c1nc[nH+]c2NCc1cccnc1 ZINC000032620484 212820185 /nfs/dbraw/zinc/82/01/85/212820185.db2.gz MFCPLMYHYCCQHN-UHFFFAOYSA-N 1 2 336.786 3.476 40 0 EGABLO COc1ccc2nc(C)c(C(=O)NCc3cn4ccccc4[nH+]3)cc2c1 ZINC000023754392 212394036 /nfs/dbraw/zinc/39/40/36/212394036.db2.gz FVDUFUXGXHSVIG-UHFFFAOYSA-N 1 2 346.390 3.130 40 0 EGABLO O=C(CCN1CC[NH+](Cc2ccsc2)CC1)Nc1ccccc1F ZINC000022912721 212332875 /nfs/dbraw/zinc/33/28/75/212332875.db2.gz WEDFRPHPRVESMO-UHFFFAOYSA-N 1 2 347.459 3.034 40 0 EGABLO CCCn1cc(Cl)c(C(=O)N2CCC[C@@H]2c2cc[nH+]c(NC)c2)n1 ZINC000257321444 284131138 /nfs/dbraw/zinc/13/11/38/284131138.db2.gz WBSADYZNIPMWGF-CQSZACIVSA-N 1 2 347.850 3.361 40 0 EGABLO Cc1cc(N2CCC[C@](C)(C(=O)Nc3cccc(F)c3)C2)nc[nH+]1 ZINC000257242646 244247117 /nfs/dbraw/zinc/24/71/17/244247117.db2.gz IDLMHYRCGZGJMT-SFHVURJKSA-N 1 2 328.391 3.169 40 0 EGABLO COc1ccccc1NC(=O)[C@]1(C)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257256243 244282369 /nfs/dbraw/zinc/28/23/69/244282369.db2.gz KKQHZLDOONIGJN-LJQANCHMSA-N 1 2 340.427 3.039 40 0 EGABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NC2CCCC2)C1 ZINC000019524388 212038300 /nfs/dbraw/zinc/03/83/00/212038300.db2.gz PWNKLTACACMMAZ-OAHLLOKOSA-N 1 2 340.471 3.331 40 0 EGABLO CCCC[C@H](CC)CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110747267 220064233 /nfs/dbraw/zinc/06/42/33/220064233.db2.gz IVQGYEQGAQPAQN-KRWDZBQOSA-N 1 2 332.488 3.465 40 0 EGABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)CC[N@H+](Cc1cccs1)C3 ZINC000012185413 211314447 /nfs/dbraw/zinc/31/44/47/211314447.db2.gz PHYHEGZGAVCBDE-UHFFFAOYSA-N 1 2 342.468 3.352 40 0 EGABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)CC[N@@H+](Cc1cccs1)C3 ZINC000012185413 211314452 /nfs/dbraw/zinc/31/44/52/211314452.db2.gz PHYHEGZGAVCBDE-UHFFFAOYSA-N 1 2 342.468 3.352 40 0 EGABLO C[C@H](Sc1[nH+]cnc2c1cnn2C)C(=O)c1c[nH]c2ccccc21 ZINC000011683368 211234162 /nfs/dbraw/zinc/23/41/62/211234162.db2.gz HSHOTKLMBHFURQ-JTQLQIEISA-N 1 2 337.408 3.208 40 0 EGABLO CC1(C)Cc2nc(NC(=O)C[NH+]3CCCCCC3)sc2C(=O)C1 ZINC000016740513 276151522 /nfs/dbraw/zinc/15/15/22/276151522.db2.gz AVRGCQOMFFZZEU-UHFFFAOYSA-N 1 2 335.473 3.113 40 0 EGABLO Cc1c[nH]c(-c2cc([C@H]3CCCCN3c3cc(C)[nH+]cn3)nc(C)n2)n1 ZINC000257224816 301024311 /nfs/dbraw/zinc/02/43/11/301024311.db2.gz FDMLQNYWOBDOIS-QGZVFWFLSA-N 1 2 349.442 3.314 40 0 EGABLO C[C@@H]1C[C@@H](NC(=O)Nc2nc(C3CCOCC3)cs2)c2[nH+]ccn21 ZINC000333183541 308852288 /nfs/dbraw/zinc/85/22/88/308852288.db2.gz MJOHREIWRGDLRI-ZYHUDNBSSA-N 1 2 347.444 3.061 40 0 EGABLO CCOc1ccc(NC(=S)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000013769486 453488793 /nfs/dbraw/zinc/48/87/93/453488793.db2.gz PJUBGKBNXPKSAN-UHFFFAOYSA-N 1 2 345.468 3.193 40 0 EGABLO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@H+](Cc2cccs2)C1 ZINC000015674107 453582364 /nfs/dbraw/zinc/58/23/64/453582364.db2.gz GPRNFEALZIRBEP-HIFRSBDPSA-N 1 2 327.409 3.106 40 0 biogenic,in-vitro EGABLO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@@H+](Cc2cccs2)C1 ZINC000015674107 453582366 /nfs/dbraw/zinc/58/23/66/453582366.db2.gz GPRNFEALZIRBEP-HIFRSBDPSA-N 1 2 327.409 3.106 40 0 biogenic,in-vitro EGABLO COc1ccc(C[NH+]2CCN(C(=O)c3cccc(C)c3C)CC2)cc1 ZINC000024306558 453730569 /nfs/dbraw/zinc/73/05/69/453730569.db2.gz GSDFKTRAKIDQAO-UHFFFAOYSA-N 1 2 338.451 3.270 40 0 EGABLO CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000032642316 453881205 /nfs/dbraw/zinc/88/12/05/453881205.db2.gz FIINRACAAVQMDS-KBPBESRZSA-N 1 2 342.439 3.329 40 0 EGABLO CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000032642319 453881521 /nfs/dbraw/zinc/88/15/21/453881521.db2.gz FIINRACAAVQMDS-ZIAGYGMSSA-N 1 2 342.439 3.329 40 0 EGABLO Cc1[nH+]cc(CNc2cccc(Cn3cnnc3)c2)n1-c1ccccc1 ZINC000084050002 453966527 /nfs/dbraw/zinc/96/65/27/453966527.db2.gz NTEFPHTZYBWZQH-UHFFFAOYSA-N 1 2 344.422 3.433 40 0 EGABLO CS(=O)(=O)Cc1cc(NCc2cn3ccccc3[nH+]2)ccc1Cl ZINC000084492998 453991846 /nfs/dbraw/zinc/99/18/46/453991846.db2.gz JKAKLXOLUOSLFB-UHFFFAOYSA-N 1 2 349.843 3.144 40 0 EGABLO CN(C)c1cccc(C[N@H+](C)Cc2nnc(-c3ccccc3)n2C)c1 ZINC000089921977 454235452 /nfs/dbraw/zinc/23/54/52/454235452.db2.gz HIGIVXOOKHAPQJ-UHFFFAOYSA-N 1 2 335.455 3.180 40 0 EGABLO CN(C)c1cccc(C[N@@H+](C)Cc2nnc(-c3ccccc3)n2C)c1 ZINC000089921977 454235459 /nfs/dbraw/zinc/23/54/59/454235459.db2.gz HIGIVXOOKHAPQJ-UHFFFAOYSA-N 1 2 335.455 3.180 40 0 EGABLO Cc1cc([C@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]c1N1CCOCC1 ZINC000072219338 454275147 /nfs/dbraw/zinc/27/51/47/454275147.db2.gz YKFSZJSGWFORLQ-MRXNPFEDSA-N 1 2 347.459 3.299 40 0 EGABLO Cn1cnc2c1[C@H](COCc1ccccc1)[N@H+](Cc1ccccn1)CC2 ZINC000096187730 454299861 /nfs/dbraw/zinc/29/98/61/454299861.db2.gz OZNIBFVOVWQNJJ-FQEVSTJZSA-N 1 2 348.450 3.131 40 0 EGABLO Cn1cnc2c1[C@H](COCc1ccccc1)[N@@H+](Cc1ccccn1)CC2 ZINC000096187730 454299864 /nfs/dbraw/zinc/29/98/64/454299864.db2.gz OZNIBFVOVWQNJJ-FQEVSTJZSA-N 1 2 348.450 3.131 40 0 EGABLO Cn1c[nH+]c2c1[C@H](COCc1ccccc1)N(Cc1ccccn1)CC2 ZINC000096187730 454299868 /nfs/dbraw/zinc/29/98/68/454299868.db2.gz OZNIBFVOVWQNJJ-FQEVSTJZSA-N 1 2 348.450 3.131 40 0 EGABLO Cc1cc(C)n(-c2ccc(-c3noc(Cc4ccc(C)[nH+]c4)n3)cn2)n1 ZINC000096405309 454323124 /nfs/dbraw/zinc/32/31/24/454323124.db2.gz CHXCCDXTNRFCBA-UHFFFAOYSA-N 1 2 346.394 3.228 40 0 EGABLO C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000096409910 454328286 /nfs/dbraw/zinc/32/82/86/454328286.db2.gz BOVPVCIIMPUAJL-OXJNMPFZSA-N 1 2 347.418 3.475 40 0 EGABLO C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000096409909 454328339 /nfs/dbraw/zinc/32/83/39/454328339.db2.gz BOVPVCIIMPUAJL-OXQOHEQNSA-N 1 2 347.418 3.475 40 0 EGABLO COc1ccsc1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432125 454343500 /nfs/dbraw/zinc/34/35/00/454343500.db2.gz RTWLHWJDLHERNB-GFCCVEGCSA-N 1 2 327.409 3.433 40 0 EGABLO O=c1cc(CSCc2ccc(-n3cc[nH+]c3)cc2)nc2ccccn12 ZINC000096448014 454353885 /nfs/dbraw/zinc/35/38/85/454353885.db2.gz HOSZDEGXPCLKES-UHFFFAOYSA-N 1 2 348.431 3.314 40 0 EGABLO C[C@@H]([NH2+]Cc1nc(-c2cccnc2)no1)c1ccc(-n2cccn2)cc1 ZINC000096492184 454369863 /nfs/dbraw/zinc/36/98/63/454369863.db2.gz JZLYOXPYGSRUCQ-CQSZACIVSA-N 1 2 346.394 3.168 40 0 EGABLO C[N@H+](CCn1cccn1)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121309470 454418771 /nfs/dbraw/zinc/41/87/71/454418771.db2.gz YXTKAVIDHFUVKZ-UHFFFAOYSA-N 1 2 343.456 3.005 40 0 EGABLO C[N@@H+](CCn1cccn1)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121309470 454418778 /nfs/dbraw/zinc/41/87/78/454418778.db2.gz YXTKAVIDHFUVKZ-UHFFFAOYSA-N 1 2 343.456 3.005 40 0 EGABLO Cc1[nH+]c(N2CCCC2)ccc1NC(=O)C[C@](C)(O)c1ccccc1 ZINC000097236671 454428259 /nfs/dbraw/zinc/42/82/59/454428259.db2.gz PXCYBHITYOKYOM-FQEVSTJZSA-N 1 2 339.439 3.227 40 0 EGABLO C[N@@H+]1CC[C@H](NC(=O)Cc2cccs2)[C@H]1c1ccc(F)c(F)c1 ZINC000110698343 454851060 /nfs/dbraw/zinc/85/10/60/454851060.db2.gz OXBKPUWZDKNYBK-DOTOQJQBSA-N 1 2 336.407 3.130 40 0 EGABLO C[N@H+]1CC[C@H](NC(=O)Cc2cccs2)[C@H]1c1ccc(F)c(F)c1 ZINC000110698343 454851065 /nfs/dbraw/zinc/85/10/65/454851065.db2.gz OXBKPUWZDKNYBK-DOTOQJQBSA-N 1 2 336.407 3.130 40 0 EGABLO COCc1noc([C@H](C)[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000248439870 455715936 /nfs/dbraw/zinc/71/59/36/455715936.db2.gz CQZAKGWERYYRGA-GXTWGEPZSA-N 1 2 347.390 3.011 40 0 EGABLO COCc1noc([C@H](C)[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000248439870 455715943 /nfs/dbraw/zinc/71/59/43/455715943.db2.gz CQZAKGWERYYRGA-GXTWGEPZSA-N 1 2 347.390 3.011 40 0 EGABLO COCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000248439872 455715948 /nfs/dbraw/zinc/71/59/48/455715948.db2.gz CQZAKGWERYYRGA-TZMCWYRMSA-N 1 2 347.390 3.011 40 0 EGABLO COCc1noc([C@@H](C)[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000248439872 455715950 /nfs/dbraw/zinc/71/59/50/455715950.db2.gz CQZAKGWERYYRGA-TZMCWYRMSA-N 1 2 347.390 3.011 40 0 EGABLO CCn1nccc1CC[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000253420492 455844549 /nfs/dbraw/zinc/84/45/49/455844549.db2.gz JUQSFPORICIJIR-OAHLLOKOSA-N 1 2 348.516 3.273 40 0 EGABLO CCn1nccc1CC[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000253420492 455844555 /nfs/dbraw/zinc/84/45/55/455844555.db2.gz JUQSFPORICIJIR-OAHLLOKOSA-N 1 2 348.516 3.273 40 0 EGABLO CNc1cc([C@@H]2CCCN2C(=O)COc2cccc(F)c2)cc[nH+]1 ZINC000257280753 455882027 /nfs/dbraw/zinc/88/20/27/455882027.db2.gz OMFUBGGFSRJOIY-INIZCTEOSA-N 1 2 329.375 3.005 40 0 EGABLO CC(C)n1cc[nH+]c1CN1CCCC[C@@H]1c1ccnc(N(C)C)n1 ZINC000257310743 455888716 /nfs/dbraw/zinc/88/87/16/455888716.db2.gz UGIRPEQKKPHDAM-MRXNPFEDSA-N 1 2 328.464 3.047 40 0 EGABLO CN(C)c1cc([C@H]2CCCN2C(=O)CCOc2ccccc2)cc[nH+]1 ZINC000257319772 455890454 /nfs/dbraw/zinc/89/04/54/455890454.db2.gz VTZPARMHFAIMBL-GOSISDBHSA-N 1 2 339.439 3.280 40 0 EGABLO Cc1nc(CC(=O)N2CCC(Cc3cc[nH+]c(C)c3)CC2)cs1 ZINC000257327955 455893413 /nfs/dbraw/zinc/89/34/13/455893413.db2.gz XDMYNKFETDNISU-UHFFFAOYSA-N 1 2 329.469 3.179 40 0 EGABLO O=C([O-])c1cccc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)[nH+]1 ZINC000263425094 456147924 /nfs/dbraw/zinc/14/79/24/456147924.db2.gz QYPFKBZQFJSWOX-CYBMUJFWSA-N 1 2 331.441 3.165 40 0 EGABLO O=C([O-])c1cccc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[nH+]1 ZINC000263425094 456147929 /nfs/dbraw/zinc/14/79/29/456147929.db2.gz QYPFKBZQFJSWOX-CYBMUJFWSA-N 1 2 331.441 3.165 40 0 EGABLO CCCc1ccc(C[N@@H+]2CC(F)(F)C[C@@]3(CCCNC3=O)C2)cc1 ZINC000306136080 456568007 /nfs/dbraw/zinc/56/80/07/456568007.db2.gz PIMGFNTWTUFXPI-SFHVURJKSA-N 1 2 336.426 3.377 40 0 EGABLO CCCc1ccc(C[N@H+]2CC(F)(F)C[C@@]3(CCCNC3=O)C2)cc1 ZINC000306136080 456568008 /nfs/dbraw/zinc/56/80/08/456568008.db2.gz PIMGFNTWTUFXPI-SFHVURJKSA-N 1 2 336.426 3.377 40 0 EGABLO CS(=O)(=O)CC1(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)CC1 ZINC000328675156 456733339 /nfs/dbraw/zinc/73/33/39/456733339.db2.gz QNQRKDGGDSXURF-HNNXBMFYSA-N 1 2 348.468 3.180 40 0 EGABLO CS(=O)(=O)CC1(C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)CC1 ZINC000328675156 456733347 /nfs/dbraw/zinc/73/33/47/456733347.db2.gz QNQRKDGGDSXURF-HNNXBMFYSA-N 1 2 348.468 3.180 40 0 EGABLO O=C(CC1CC1)N1Cc2cccn2C[C@H](CCNc2cccc[nH+]2)C1 ZINC000585095265 459822294 /nfs/dbraw/zinc/82/22/94/459822294.db2.gz LFDMINQEDOODRJ-KRWDZBQOSA-N 1 2 338.455 3.144 40 0 EGABLO C[C@@H]1C[C@@H](C)CN(C(=O)c2nc3c(o2)CC[N@H+](CC2CCCC2)C3)C1 ZINC000585112819 459826254 /nfs/dbraw/zinc/82/62/54/459826254.db2.gz VOWCQFLTUZTSQK-HUUCEWRRSA-N 1 2 345.487 3.341 40 0 EGABLO C[C@@H]1C[C@@H](C)CN(C(=O)c2nc3c(o2)CC[N@@H+](CC2CCCC2)C3)C1 ZINC000585112819 459826256 /nfs/dbraw/zinc/82/62/56/459826256.db2.gz VOWCQFLTUZTSQK-HUUCEWRRSA-N 1 2 345.487 3.341 40 0 EGABLO Cc1[nH+]c([C@@]2(C)CCCN(C(=O)C3CCOCC3)C2)c2sccn12 ZINC000585178893 459831576 /nfs/dbraw/zinc/83/15/76/459831576.db2.gz DVMTYDBSQVHRLQ-SFHVURJKSA-N 1 2 347.484 3.011 40 0 EGABLO Clc1ccccc1C[NH+]1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575607581 459981125 /nfs/dbraw/zinc/98/11/25/459981125.db2.gz IUMHSXWSMMQEQH-UHFFFAOYSA-N 1 2 328.847 3.330 40 0 EGABLO Fc1cccc(Cl)c1C[NH+]1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575609330 459981729 /nfs/dbraw/zinc/98/17/29/459981729.db2.gz WAGMPRMHOZGERT-UHFFFAOYSA-N 1 2 346.837 3.469 40 0 EGABLO O=C(Nc1cc2c(cc1Cl)OCO2)N1CCC(n2cc[nH+]c2)CC1 ZINC000171887841 534822883 /nfs/dbraw/zinc/82/28/83/534822883.db2.gz LVYZIUIHWCTVIP-UHFFFAOYSA-N 1 2 348.790 3.134 40 0 EGABLO CCn1c(C[N@@H+]2CCCC[C@@H]2c2ccnc(N)n2)nc2ccccc21 ZINC000257247641 535981176 /nfs/dbraw/zinc/98/11/76/535981176.db2.gz IZWUJICVVZISOP-MRXNPFEDSA-N 1 2 336.443 3.156 40 0 EGABLO CCn1c(C[N@H+]2CCCC[C@@H]2c2ccnc(N)n2)nc2ccccc21 ZINC000257247641 535981179 /nfs/dbraw/zinc/98/11/79/535981179.db2.gz IZWUJICVVZISOP-MRXNPFEDSA-N 1 2 336.443 3.156 40 0 EGABLO CN(C)c1cc([C@@H]2CCCN2C(=O)COc2cccc(F)c2)cc[nH+]1 ZINC000257214610 536145708 /nfs/dbraw/zinc/14/57/08/536145708.db2.gz CMQFZMFGIAEUQQ-KRWDZBQOSA-N 1 2 343.402 3.029 40 0 EGABLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NCc2nccs2)C1 ZINC001343150081 1390695570 /nfs/dbraw/zinc/69/55/70/1390695570.db2.gz RYKKYDOYXMUBMJ-ZDUSSCGKSA-N 1 2 347.488 3.184 40 0 EGABLO CCc1ccccc1N1C(=O)C[C@@H](Nc2ccc([NH+](C)C)cc2)C1=O ZINC000101163559 219117916 /nfs/dbraw/zinc/11/79/16/219117916.db2.gz TZRYBPAOVSHUIP-QGZVFWFLSA-N 1 2 337.423 3.059 40 0 EGABLO c1c[nH]c(C[N@@H+]2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)n1 ZINC000072362997 216169698 /nfs/dbraw/zinc/16/96/98/216169698.db2.gz KDHMXMSJJYTDGA-HNNXBMFYSA-N 1 2 335.411 3.372 40 0 EGABLO c1c[nH]c(C[N@H+]2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)n1 ZINC000072362997 216169699 /nfs/dbraw/zinc/16/96/99/216169699.db2.gz KDHMXMSJJYTDGA-HNNXBMFYSA-N 1 2 335.411 3.372 40 0 EGABLO Cc1cccc(OCCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000024050587 212406112 /nfs/dbraw/zinc/40/61/12/212406112.db2.gz ROVUAPDFHSYZBL-UHFFFAOYSA-N 1 2 335.407 3.380 40 0 EGABLO c1ccc([C@@H](c2nc(-c3ccncc3)no2)[NH+]2CCSCC2)cc1 ZINC000193723000 240283284 /nfs/dbraw/zinc/28/32/84/240283284.db2.gz BGUOHCBSECGIQW-INIZCTEOSA-N 1 2 338.436 3.270 40 0 EGABLO CCN1CC[C@@H]([NH2+]Cc2noc(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000225787316 242034998 /nfs/dbraw/zinc/03/49/98/242034998.db2.gz KHOQBJJRAZEVDW-ZBFHGGJFSA-N 1 2 338.814 3.096 40 0 EGABLO CC[N@@H+]1CC[C@@H](NCc2noc(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000225787316 242035006 /nfs/dbraw/zinc/03/50/06/242035006.db2.gz KHOQBJJRAZEVDW-ZBFHGGJFSA-N 1 2 338.814 3.096 40 0 EGABLO CC[N@H+]1CC[C@@H](NCc2noc(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000225787316 242035011 /nfs/dbraw/zinc/03/50/11/242035011.db2.gz KHOQBJJRAZEVDW-ZBFHGGJFSA-N 1 2 338.814 3.096 40 0 EGABLO Fc1cc(Cl)ccc1C[NH+]1CC2(C1)CO[C@H](Cc1cncnc1)C2 ZINC000257212530 244157136 /nfs/dbraw/zinc/15/71/36/244157136.db2.gz CDVZPTCEPNNZBB-MRXNPFEDSA-N 1 2 347.821 3.103 40 0 EGABLO CCCCn1cc(C[N@@H+]2CCO[C@H](c3cccc(NC)n3)C2)c(C)n1 ZINC000257233036 244220794 /nfs/dbraw/zinc/22/07/94/244220794.db2.gz GNLOCHBSLDHVCU-SFHVURJKSA-N 1 2 343.475 3.002 40 0 EGABLO CCCCn1cc(C[N@H+]2CCO[C@H](c3cccc(NC)n3)C2)c(C)n1 ZINC000257233036 244220807 /nfs/dbraw/zinc/22/08/07/244220807.db2.gz GNLOCHBSLDHVCU-SFHVURJKSA-N 1 2 343.475 3.002 40 0 EGABLO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](CC)CC1 ZINC000020105385 212101478 /nfs/dbraw/zinc/10/14/78/212101478.db2.gz BSEGSNDQKSZTAI-OAHLLOKOSA-N 1 2 326.893 3.375 40 0 EGABLO C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020107397 212101226 /nfs/dbraw/zinc/10/12/26/212101226.db2.gz MINBHFTXMQFUAK-AWEZNQCLSA-N 1 2 339.370 3.095 40 0 EGABLO Cc1[nH+]c([C@H]2CCCN(C(=O)CCc3ccno3)C2)c2sccn12 ZINC000019240742 212008849 /nfs/dbraw/zinc/00/88/49/212008849.db2.gz TXJWCYNUHKDZNB-ZDUSSCGKSA-N 1 2 344.440 3.031 40 0 EGABLO O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)[C@@H]1SCCc2sccc21 ZINC000080369044 217300335 /nfs/dbraw/zinc/30/03/35/217300335.db2.gz XQZYPOVJKVZMFC-VNHYZAJKSA-N 1 2 333.482 3.185 40 0 EGABLO Cc1cc(Br)cc2cc(C(=O)NCCn3cc[nH+]c3)oc21 ZINC000095453987 218397738 /nfs/dbraw/zinc/39/77/38/218397738.db2.gz AMQMOLPRGMQLLY-UHFFFAOYSA-N 1 2 348.200 3.130 40 0 EGABLO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@H]2OCCc3ccccc32)CC1 ZINC000096424298 274279209 /nfs/dbraw/zinc/27/92/09/274279209.db2.gz NZSOVVZNEIOMTQ-LAUBAEHRSA-N 1 2 337.467 3.074 40 0 EGABLO Cc1nc2cc([C@@H]3CC[N@H+](CC4CCCCC4)C3)[nH]n2c(=O)c1C ZINC000012745691 279122637 /nfs/dbraw/zinc/12/26/37/279122637.db2.gz CTRPJUOTBBJXNA-MRXNPFEDSA-N 1 2 328.460 3.421 40 0 EGABLO Cc1nc2cc([C@@H]3CC[N@@H+](CC4CCCCC4)C3)[nH]n2c(=O)c1C ZINC000012745691 279122638 /nfs/dbraw/zinc/12/26/38/279122638.db2.gz CTRPJUOTBBJXNA-MRXNPFEDSA-N 1 2 328.460 3.421 40 0 EGABLO Cc1csc(NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000299271418 308668355 /nfs/dbraw/zinc/66/83/55/308668355.db2.gz NEWPYHDBWNQJGR-UHFFFAOYSA-N 1 2 331.445 3.159 40 0 EGABLO CC(C)(C)[C@@H]1CCc2nc(NC(=O)NCCn3cc[nH+]c3)sc2C1 ZINC000194582362 323862420 /nfs/dbraw/zinc/86/24/20/323862420.db2.gz HZTHQVJOUFNKIJ-GFCCVEGCSA-N 1 2 347.488 3.312 40 0 EGABLO CC(=O)c1ccc(OC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000005587688 452885857 /nfs/dbraw/zinc/88/58/57/452885857.db2.gz XLMIKARJXJFVNQ-QGZVFWFLSA-N 1 2 338.407 3.296 40 0 EGABLO O=C(Cn1c[nH+]c2cc3c(cc21)OCCCO3)NC1CCCCCC1 ZINC000014000636 453498226 /nfs/dbraw/zinc/49/82/26/453498226.db2.gz KTUVNFGHFQUVNV-UHFFFAOYSA-N 1 2 343.427 3.037 40 0 EGABLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCCO2 ZINC000032679646 453883205 /nfs/dbraw/zinc/88/32/05/453883205.db2.gz PEWNKYSVEOKVFM-ZDUSSCGKSA-N 1 2 337.379 3.359 40 0 EGABLO CCOc1ccc(-c2n[nH]c([C@H]([NH3+])Cc3ccccc3)n2)cc1OC ZINC000095534938 454230695 /nfs/dbraw/zinc/23/06/95/454230695.db2.gz CNMXYLPOXHRTAZ-OAHLLOKOSA-N 1 2 338.411 3.122 40 0 EGABLO COc1cccc(NCc2n[nH]c([C@@H]([NH3+])c3ccc(Cl)cc3)n2)c1 ZINC000095533979 454230796 /nfs/dbraw/zinc/23/07/96/454230796.db2.gz CLRXRFBUEBUBQG-INIZCTEOSA-N 1 2 343.818 3.127 40 0 EGABLO COc1cccc(NCc2nnc([C@@H]([NH3+])c3ccc(Cl)cc3)[nH]2)c1 ZINC000095533979 454230797 /nfs/dbraw/zinc/23/07/97/454230797.db2.gz CLRXRFBUEBUBQG-INIZCTEOSA-N 1 2 343.818 3.127 40 0 EGABLO COc1cccc(NCc2nc([C@@H]([NH3+])c3ccc(Cl)cc3)n[nH]2)c1 ZINC000095533979 454230799 /nfs/dbraw/zinc/23/07/99/454230799.db2.gz CLRXRFBUEBUBQG-INIZCTEOSA-N 1 2 343.818 3.127 40 0 EGABLO CCOC[C@H]1C[N@H+](Cc2cccs2)Cc2ncn(CC3CC3)c21 ZINC000096045113 454268386 /nfs/dbraw/zinc/26/83/86/454268386.db2.gz YPTWNLJWCAUIDW-OAHLLOKOSA-N 1 2 331.485 3.491 40 0 EGABLO CCOC[C@H]1C[N@@H+](Cc2cccs2)Cc2ncn(CC3CC3)c21 ZINC000096045113 454268388 /nfs/dbraw/zinc/26/83/88/454268388.db2.gz YPTWNLJWCAUIDW-OAHLLOKOSA-N 1 2 331.485 3.491 40 0 EGABLO O=C1N(Cc2cccc(F)c2)CCC12CCN(c1cccc[nH+]1)CC2 ZINC000096157998 454294558 /nfs/dbraw/zinc/29/45/58/454294558.db2.gz MWODUTWTRQJRKF-UHFFFAOYSA-N 1 2 339.414 3.240 40 0 EGABLO CC[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc(F)cc1F ZINC000096415313 454331223 /nfs/dbraw/zinc/33/12/23/454331223.db2.gz WEDPHVYBSRGCCA-INIZCTEOSA-N 1 2 336.386 3.392 40 0 EGABLO CN(C(=O)c1cc(C(C)(C)C)on1)C1CCN(c2cccc[nH+]2)CC1 ZINC000096425093 454338552 /nfs/dbraw/zinc/33/85/52/454338552.db2.gz PZQFLDLXZXODHR-UHFFFAOYSA-N 1 2 342.443 3.108 40 0 EGABLO CO[C@@H](C(=O)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21)c1ccccc1 ZINC000096426009 454339501 /nfs/dbraw/zinc/33/95/01/454339501.db2.gz HLVNFLALAMMCRC-AZUAARDMSA-N 1 2 347.418 3.401 40 0 EGABLO Cc1cnn(-c2ccc([C@@H](C)[NH2+][C@@H](C)c3nnc(C)o3)cc2F)c1 ZINC000096437241 454348134 /nfs/dbraw/zinc/34/81/34/454348134.db2.gz PYIJGMDEBHPQCH-NEPJUHHUSA-N 1 2 329.379 3.423 40 0 EGABLO C[C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000096439343 454348499 /nfs/dbraw/zinc/34/84/99/454348499.db2.gz CBONQFQPWARQSP-MJGOQNOKSA-N 1 2 340.471 3.499 40 0 EGABLO C[C@@H](NC(=O)N[C@@H](C)c1ccccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096437610 454348602 /nfs/dbraw/zinc/34/86/02/454348602.db2.gz FVNIQTFOSYBQFS-CABCVRRESA-N 1 2 335.411 3.389 40 0 EGABLO C[C@@H](NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccn1 ZINC000096437611 454348835 /nfs/dbraw/zinc/34/88/35/454348835.db2.gz FVNIQTFOSYBQFS-LSDHHAIUSA-N 1 2 335.411 3.389 40 0 EGABLO C[C@H](C(=O)Nc1cc(-c2ccc(OC(F)F)cc2)no1)n1cc[nH+]c1 ZINC000096449122 454355605 /nfs/dbraw/zinc/35/56/05/454355605.db2.gz QWCAKRHVUHDLLU-SNVBAGLBSA-N 1 2 348.309 3.339 40 0 EGABLO CO[C@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000079256004 454387678 /nfs/dbraw/zinc/38/76/78/454387678.db2.gz PRJDRENBKGMYBQ-IBGZPJMESA-N 1 2 339.439 3.076 40 0 EGABLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000097233874 454428924 /nfs/dbraw/zinc/42/89/24/454428924.db2.gz SEQQJUWCRNUFSG-FZKQIMNGSA-N 1 2 348.878 3.096 40 0 EGABLO Cc1noc(C)c1C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000134707714 454580280 /nfs/dbraw/zinc/58/02/80/454580280.db2.gz RBAPTCCBUVSBDX-ZWKOTPCHSA-N 1 2 349.862 3.106 40 0 EGABLO Cc1noc(C)c1CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000134707714 454580284 /nfs/dbraw/zinc/58/02/84/454580284.db2.gz RBAPTCCBUVSBDX-ZWKOTPCHSA-N 1 2 349.862 3.106 40 0 EGABLO Cc1noc(C)c1CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000134707714 454580290 /nfs/dbraw/zinc/58/02/90/454580290.db2.gz RBAPTCCBUVSBDX-ZWKOTPCHSA-N 1 2 349.862 3.106 40 0 EGABLO C[N@H+](Cc1ccsc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000152923529 454742602 /nfs/dbraw/zinc/74/26/02/454742602.db2.gz WZDQQLMREDKDFZ-ZDUSSCGKSA-N 1 2 339.258 3.169 40 0 EGABLO C[N@@H+](Cc1ccsc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000152923529 454742606 /nfs/dbraw/zinc/74/26/06/454742606.db2.gz WZDQQLMREDKDFZ-ZDUSSCGKSA-N 1 2 339.258 3.169 40 0 EGABLO FC(F)(F)c1ccccc1[C@@H]1C[N@H+](CC2=CCCOC2)CCO1 ZINC000182386350 455502392 /nfs/dbraw/zinc/50/23/92/455502392.db2.gz LRVOJSUHILITMC-INIZCTEOSA-N 1 2 327.346 3.425 40 0 EGABLO FC(F)(F)c1ccccc1[C@@H]1C[N@@H+](CC2=CCCOC2)CCO1 ZINC000182386350 455502395 /nfs/dbraw/zinc/50/23/95/455502395.db2.gz LRVOJSUHILITMC-INIZCTEOSA-N 1 2 327.346 3.425 40 0 EGABLO Cc1cccc(CO[C@H]2CCOC3(C[NH+](Cc4cccs4)C3)C2)n1 ZINC000247896922 455654031 /nfs/dbraw/zinc/65/40/31/455654031.db2.gz XURUGCVVFIWUDK-KRWDZBQOSA-N 1 2 344.480 3.402 40 0 EGABLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CCc1ccc(O)cc1 ZINC000253428359 455846786 /nfs/dbraw/zinc/84/67/86/455846786.db2.gz AFBWENDBAXUXEY-KRWDZBQOSA-N 1 2 327.428 3.295 40 0 EGABLO CNc1cc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C)nc(C)n1 ZINC000257288107 455882897 /nfs/dbraw/zinc/88/28/97/455882897.db2.gz PSWCNCZHMKEIMP-QGZVFWFLSA-N 1 2 336.443 3.051 40 0 EGABLO CNc1cc([C@H]2CCC[N@H+]2Cc2nc3ccccc3n2C)nc(C)n1 ZINC000257288107 455882901 /nfs/dbraw/zinc/88/29/01/455882901.db2.gz PSWCNCZHMKEIMP-QGZVFWFLSA-N 1 2 336.443 3.051 40 0 EGABLO CN(C(=O)c1ccc2ncccc2c1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257311620 455889199 /nfs/dbraw/zinc/88/91/99/455889199.db2.gz UKIBQOJQDOEMQG-SFHVURJKSA-N 1 2 346.434 3.371 40 0 EGABLO CCOc1ccccc1C[NH2+][C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000195568595 455986312 /nfs/dbraw/zinc/98/63/12/455986312.db2.gz LCSNKTWMLNQNOE-INIZCTEOSA-N 1 2 349.427 3.233 40 0 EGABLO Cc1nc([C@H]2CCCN2c2cc(N3CCSCC3)[nH+]cn2)cs1 ZINC000225487309 456086882 /nfs/dbraw/zinc/08/68/82/456086882.db2.gz CDNYWYXZEWMVGA-CQSZACIVSA-N 1 2 347.513 3.136 40 0 EGABLO Cc1nc([C@H]2CCCN2c2cc(N3CCSCC3)nc[nH+]2)cs1 ZINC000225487309 456086889 /nfs/dbraw/zinc/08/68/89/456086889.db2.gz CDNYWYXZEWMVGA-CQSZACIVSA-N 1 2 347.513 3.136 40 0 EGABLO Cn1cccc1[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000225555013 456091807 /nfs/dbraw/zinc/09/18/07/456091807.db2.gz BEKGVJFGGAXGCI-FQEVSTJZSA-N 1 2 348.450 3.176 40 0 EGABLO O=S(=O)(Nc1cc[nH+]cc1)c1ccc(Cl)cc1Br ZINC000225632335 456100136 /nfs/dbraw/zinc/10/01/36/456100136.db2.gz RXNJSJKMADQFMS-UHFFFAOYSA-N 1 2 347.621 3.298 40 0 EGABLO CCC(=O)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306143822 456569564 /nfs/dbraw/zinc/56/95/64/456569564.db2.gz YNOODITXQHJBTI-IBGZPJMESA-N 1 2 346.434 3.211 40 0 EGABLO COCCc1c[nH+]c2n1CCN(C(=O)c1cc3ccccc3o1)[C@@H]2C ZINC000585096813 459822780 /nfs/dbraw/zinc/82/27/80/459822780.db2.gz BDUKKBKNHDXDGV-CYBMUJFWSA-N 1 2 339.395 3.035 40 0 EGABLO COC(=O)c1ccc(F)cc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000153684586 534180785 /nfs/dbraw/zinc/18/07/85/534180785.db2.gz UXAGNLOZOSPUES-AWEZNQCLSA-N 1 2 346.362 3.095 40 0 EGABLO Fc1cccc(C[NH+]2CC3(C2)C[C@@H](OCc2ccncc2)CCO3)c1 ZINC000247524111 526384394 /nfs/dbraw/zinc/38/43/94/526384394.db2.gz MNPQLNVYSWUEMT-IBGZPJMESA-N 1 2 342.414 3.171 40 0 EGABLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NCc2nccs2)C1 ZINC001343150080 1390695730 /nfs/dbraw/zinc/69/57/30/1390695730.db2.gz RYKKYDOYXMUBMJ-CYBMUJFWSA-N 1 2 347.488 3.184 40 0 EGABLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000067161607 215118960 /nfs/dbraw/zinc/11/89/60/215118960.db2.gz GDSMFQGWOVAFFA-WOJBJXKFSA-N 1 2 349.409 3.490 40 0 EGABLO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000040434877 213303521 /nfs/dbraw/zinc/30/35/21/213303521.db2.gz LOLZVJKBUHCBRE-ZDUSSCGKSA-N 1 2 325.840 3.224 40 0 EGABLO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000040434877 213303522 /nfs/dbraw/zinc/30/35/22/213303522.db2.gz LOLZVJKBUHCBRE-ZDUSSCGKSA-N 1 2 325.840 3.224 40 0 EGABLO COCCC(=O)N1CCC[C@@H]1c1ccc(Nc2cccc(C)[nH+]2)cn1 ZINC000072353069 216161592 /nfs/dbraw/zinc/16/15/92/216161592.db2.gz RJXAESSLNGMCAI-QGZVFWFLSA-N 1 2 340.427 3.229 40 0 EGABLO Cc1ccccc1C(=O)N[C@H](C)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023180904 212358106 /nfs/dbraw/zinc/35/81/06/212358106.db2.gz XWCMJCZHEFTUTJ-QAPCUYQASA-N 1 2 344.480 3.248 40 0 EGABLO Cc1[nH+]c(C2(C)CCN(C(=O)c3cncs3)CC2)c2sccn12 ZINC000257256751 244283311 /nfs/dbraw/zinc/28/33/11/244283311.db2.gz KMTDARDKEVLMBR-UHFFFAOYSA-N 1 2 346.481 3.355 40 0 EGABLO CNc1ncc(C[N@H+](Cc2ccncc2)Cc2ccc(OC)cc2)cn1 ZINC000019592370 212048640 /nfs/dbraw/zinc/04/86/40/212048640.db2.gz UZYVFEMUIAEOIT-UHFFFAOYSA-N 1 2 349.438 3.124 40 0 EGABLO CNc1ncc(C[N@@H+](Cc2ccncc2)Cc2ccc(OC)cc2)cn1 ZINC000019592370 212048644 /nfs/dbraw/zinc/04/86/44/212048644.db2.gz UZYVFEMUIAEOIT-UHFFFAOYSA-N 1 2 349.438 3.124 40 0 EGABLO COc1ccccc1/C=C1/SC(=O)N(C[NH+]2CCCCC2)C1=O ZINC000019287118 212009890 /nfs/dbraw/zinc/00/98/90/212009890.db2.gz PYGWMRMHSJQOAA-RVDMUPIBSA-N 1 2 332.425 3.175 40 0 EGABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000012116298 211295558 /nfs/dbraw/zinc/29/55/58/211295558.db2.gz CXYYAMPOLIHSCP-UHFFFAOYSA-N 1 2 340.471 3.239 40 0 EGABLO Cc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)ncn1 ZINC000095442539 218386738 /nfs/dbraw/zinc/38/67/38/218386738.db2.gz NADVRSAGSQQXIP-UHFFFAOYSA-N 1 2 333.395 3.237 40 0 EGABLO COc1ccccc1[C@H](c1nnnn1C1CCCCC1)[NH+]1CCCC1 ZINC000004968241 210343623 /nfs/dbraw/zinc/34/36/23/210343623.db2.gz WPGBDVAPOKIDRU-GOSISDBHSA-N 1 2 341.459 3.372 40 0 EGABLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@H]2CCCc3sccc32)C1 ZINC000332923489 308846261 /nfs/dbraw/zinc/84/62/61/308846261.db2.gz WLQJJTXMCGHVPS-JSGCOSHPSA-N 1 2 330.457 3.058 40 0 EGABLO Cc1ccccc1CC(C)(C)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000239654460 455262748 /nfs/dbraw/zinc/26/27/48/455262748.db2.gz BNRZSXWGLURLPC-UHFFFAOYSA-N 1 2 338.442 3.409 40 0 EGABLO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000001701267 452675620 /nfs/dbraw/zinc/67/56/20/452675620.db2.gz JYNQHFJRKKOYOL-QGZVFWFLSA-N 1 2 339.391 3.123 40 0 EGABLO O=C(OCc1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000001701267 452675626 /nfs/dbraw/zinc/67/56/26/452675626.db2.gz JYNQHFJRKKOYOL-QGZVFWFLSA-N 1 2 339.391 3.123 40 0 EGABLO Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000007050181 453021323 /nfs/dbraw/zinc/02/13/23/453021323.db2.gz UJFFUBPUMNDTFT-HNNXBMFYSA-N 1 2 341.436 3.220 40 0 EGABLO CCOC(=O)c1ccc(NC(=O)C[N@H+](C)Cc2cccc(F)c2)cc1 ZINC000008405145 453203717 /nfs/dbraw/zinc/20/37/17/453203717.db2.gz CQBMPZYYLKCWEC-UHFFFAOYSA-N 1 2 344.386 3.073 40 0 EGABLO CCOC(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2cccc(F)c2)cc1 ZINC000008405145 453203724 /nfs/dbraw/zinc/20/37/24/453203724.db2.gz CQBMPZYYLKCWEC-UHFFFAOYSA-N 1 2 344.386 3.073 40 0 EGABLO C[N@H+](CCOc1ccccc1F)CC(=O)Nc1ccc(F)cc1F ZINC000008703880 453224768 /nfs/dbraw/zinc/22/47/68/453224768.db2.gz CHTQFGNKOWMMSP-UHFFFAOYSA-N 1 2 338.329 3.053 40 0 EGABLO C[N@@H+](CCOc1ccccc1F)CC(=O)Nc1ccc(F)cc1F ZINC000008703880 453224773 /nfs/dbraw/zinc/22/47/73/453224773.db2.gz CHTQFGNKOWMMSP-UHFFFAOYSA-N 1 2 338.329 3.053 40 0 EGABLO Cc1ccc(C)c(NC(=S)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000013769467 453488155 /nfs/dbraw/zinc/48/81/55/453488155.db2.gz FHXWBFIEDGYVEZ-UHFFFAOYSA-N 1 2 329.469 3.411 40 0 EGABLO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCCCC1 ZINC000014670792 453540781 /nfs/dbraw/zinc/54/07/81/453540781.db2.gz OBKZJJBLUVYOAX-HNNXBMFYSA-N 1 2 329.469 3.446 40 0 EGABLO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCCCC1 ZINC000014670792 453540789 /nfs/dbraw/zinc/54/07/89/453540789.db2.gz OBKZJJBLUVYOAX-HNNXBMFYSA-N 1 2 329.469 3.446 40 0 EGABLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000016644006 453616787 /nfs/dbraw/zinc/61/67/87/453616787.db2.gz OMYHUSFJTBQYGB-UHFFFAOYSA-N 1 2 336.395 3.196 40 0 EGABLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032642312 453881422 /nfs/dbraw/zinc/88/14/22/453881422.db2.gz FIINRACAAVQMDS-OKILXGFUSA-N 1 2 342.439 3.329 40 0 EGABLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032642312 453881426 /nfs/dbraw/zinc/88/14/26/453881426.db2.gz FIINRACAAVQMDS-OKILXGFUSA-N 1 2 342.439 3.329 40 0 EGABLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccoc1C ZINC000096432945 454343338 /nfs/dbraw/zinc/34/33/38/454343338.db2.gz NMNZSYGRIGQUCD-UHFFFAOYSA-N 1 2 327.428 3.362 40 0 EGABLO Cc1cnc(CCNC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)s1 ZINC000096434637 454346793 /nfs/dbraw/zinc/34/67/93/454346793.db2.gz PVVPKXZKCYWDQF-UHFFFAOYSA-N 1 2 341.440 3.216 40 0 EGABLO C[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2)CC[C@H]1c1ccccc1 ZINC000096439346 454348306 /nfs/dbraw/zinc/34/83/06/454348306.db2.gz CBONQFQPWARQSP-PKOBYXMFSA-N 1 2 340.471 3.499 40 0 EGABLO C[C@H](NC(=O)Nn1cnc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000096437472 454348349 /nfs/dbraw/zinc/34/83/49/454348349.db2.gz NGMKUKZXGVHLHE-AWEZNQCLSA-N 1 2 346.394 3.236 40 0 EGABLO CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000096440101 454349427 /nfs/dbraw/zinc/34/94/27/454349427.db2.gz QFJSFQANYOPGMQ-IRXDYDNUSA-N 1 2 326.444 3.142 40 0 EGABLO COCc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1 ZINC000096489603 454368836 /nfs/dbraw/zinc/36/88/36/454368836.db2.gz WIXQXQPJAWYDTP-UHFFFAOYSA-N 1 2 348.830 3.037 40 0 EGABLO CC(C)[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1nnc2ccccn21 ZINC000091058782 454374013 /nfs/dbraw/zinc/37/40/13/454374013.db2.gz IRFRMCBJNGPGMW-IBGZPJMESA-N 1 2 346.438 3.402 40 0 EGABLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccnc(Cl)c1 ZINC000048325447 454474299 /nfs/dbraw/zinc/47/42/99/454474299.db2.gz BQVHYAPPJYUNNX-UHFFFAOYSA-N 1 2 344.846 3.440 40 0 EGABLO O=C(/C=C/c1cccs1)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000245108375 455279122 /nfs/dbraw/zinc/27/91/22/455279122.db2.gz SUETXSMENCFQTL-OAHLLOKOSA-N 1 2 348.493 3.261 40 0 EGABLO C[C@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)[C@H](c2ccccc2)CO1 ZINC000185014755 455486708 /nfs/dbraw/zinc/48/67/08/455486708.db2.gz QMNRRMZUXJTQSL-LIRRHRJNSA-N 1 2 338.411 3.037 40 0 EGABLO C[C@H]1C[N@@H+](Cc2cc(-c3cnn(C)c3)no2)[C@H](c2ccccc2)CO1 ZINC000185014755 455486711 /nfs/dbraw/zinc/48/67/11/455486711.db2.gz QMNRRMZUXJTQSL-LIRRHRJNSA-N 1 2 338.411 3.037 40 0 EGABLO CCO[C@H](C)c1nc(CN(C)c2cc(N3CCCC3)[nH+]cn2)cs1 ZINC000192322196 455591340 /nfs/dbraw/zinc/59/13/40/455591340.db2.gz IADKEUXUOBSAPV-CYBMUJFWSA-N 1 2 347.488 3.267 40 0 EGABLO CCO[C@H](C)c1nc(CN(C)c2cc(N3CCCC3)nc[nH+]2)cs1 ZINC000192322196 455591343 /nfs/dbraw/zinc/59/13/43/455591343.db2.gz IADKEUXUOBSAPV-CYBMUJFWSA-N 1 2 347.488 3.267 40 0 EGABLO Fc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2COCc1ccncc1 ZINC000247506041 455613878 /nfs/dbraw/zinc/61/38/78/455613878.db2.gz GWNPLCQHZOKGOW-SFHVURJKSA-N 1 2 342.414 3.028 40 0 EGABLO Fc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2COCc1ccncc1 ZINC000247506029 455614792 /nfs/dbraw/zinc/61/47/92/455614792.db2.gz GWNPLCQHZOKGOW-GOSISDBHSA-N 1 2 342.414 3.028 40 0 EGABLO C[N@@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248152260 455690186 /nfs/dbraw/zinc/69/01/86/455690186.db2.gz ULOIVMRSIJDOKF-HZPDHXFCSA-N 1 2 333.794 3.049 40 0 EGABLO C[N@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248152260 455690191 /nfs/dbraw/zinc/69/01/91/455690191.db2.gz ULOIVMRSIJDOKF-HZPDHXFCSA-N 1 2 333.794 3.049 40 0 EGABLO CSc1cccc(F)c1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000253395338 455837961 /nfs/dbraw/zinc/83/79/61/455837961.db2.gz TUUCLZSXJBYQHM-GXTWGEPZSA-N 1 2 333.432 3.467 40 0 EGABLO CCc1cc(=O)[nH]c(SCc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000194561837 455858811 /nfs/dbraw/zinc/85/88/11/455858811.db2.gz DTQLYRMGAOKUDQ-UHFFFAOYSA-N 1 2 326.425 3.119 40 0 EGABLO CNc1cc([C@H]2CCCN2C(=O)COc2cccc(F)c2)cc[nH+]1 ZINC000257280754 455881470 /nfs/dbraw/zinc/88/14/70/455881470.db2.gz OMFUBGGFSRJOIY-MRXNPFEDSA-N 1 2 329.375 3.005 40 0 EGABLO Fc1cccc(C[NH+]2CC3(C2)CO[C@H](Cc2cccnc2)C3)c1F ZINC000257309532 455887624 /nfs/dbraw/zinc/88/76/24/455887624.db2.gz UBHGURORTGRKOQ-MRXNPFEDSA-N 1 2 330.378 3.193 40 0 EGABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CCOc3ccccc3F)C2)[nH+]1 ZINC000257326308 455892443 /nfs/dbraw/zinc/89/24/43/455892443.db2.gz WWSHDQHZQLGSCK-AWEZNQCLSA-N 1 2 331.391 3.032 40 0 EGABLO Cn1ccnc1C[N@@H+]1CCC[C@H]1c1ccnc(Nc2ccccn2)c1 ZINC000257334069 455894413 /nfs/dbraw/zinc/89/44/13/455894413.db2.gz YEJUYFGAGNURJD-INIZCTEOSA-N 1 2 334.427 3.291 40 0 EGABLO Cn1ccnc1C[N@H+]1CCC[C@H]1c1ccnc(Nc2ccccn2)c1 ZINC000257334069 455894415 /nfs/dbraw/zinc/89/44/15/455894415.db2.gz YEJUYFGAGNURJD-INIZCTEOSA-N 1 2 334.427 3.291 40 0 EGABLO COc1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000223271416 456055528 /nfs/dbraw/zinc/05/55/28/456055528.db2.gz APNNXFRXUZFNDC-UHFFFAOYSA-N 1 2 349.434 3.438 40 0 EGABLO COc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000224902806 456071168 /nfs/dbraw/zinc/07/11/68/456071168.db2.gz RQPQOYQFBBQXMQ-UHFFFAOYSA-N 1 2 341.798 3.464 40 0 EGABLO O=C(Cc1ccccc1F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225447699 456083279 /nfs/dbraw/zinc/08/32/79/456083279.db2.gz DUIKPYZNPGBUFW-RMKNXTFCSA-N 1 2 338.426 3.226 40 0 EGABLO COc1ccc2c(c1)OC(C)(C)CN(C(=O)Nc1cc[nH+]cc1C)C2 ZINC000333472064 456221960 /nfs/dbraw/zinc/22/19/60/456221960.db2.gz DKCRXUSJTADZJO-UHFFFAOYSA-N 1 2 341.411 3.026 40 0 EGABLO CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2cccnc2)[nH+]1 ZINC000585178912 459831694 /nfs/dbraw/zinc/83/16/94/459831694.db2.gz NHCDALVRHARHJZ-GOSISDBHSA-N 1 2 338.455 3.170 40 0 EGABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2C(=O)C2CCCC2)c1 ZINC000257238174 536913006 /nfs/dbraw/zinc/91/30/06/536913006.db2.gz HJWMOAFYQNSUJH-QGZVFWFLSA-N 1 2 325.412 3.165 40 0 EGABLO COc1ccc2ccccc2c1C[N@@H+]1CCO[C@H](c2cnccn2)C1 ZINC000257224424 537042509 /nfs/dbraw/zinc/04/25/09/537042509.db2.gz FBTSYYRTOOZGQF-FQEVSTJZSA-N 1 2 335.407 3.212 40 0 EGABLO COc1ccc2ccccc2c1C[N@H+]1CCO[C@H](c2cnccn2)C1 ZINC000257224424 537042511 /nfs/dbraw/zinc/04/25/11/537042511.db2.gz FBTSYYRTOOZGQF-FQEVSTJZSA-N 1 2 335.407 3.212 40 0 EGABLO c1nc2n(c1C[N@@H+]1CCCC[C@@H]1c1nc3ccccc3o1)CCOC2 ZINC000892160473 1305272118 /nfs/dbraw/zinc/27/21/18/1305272118.db2.gz CWZXRQWAVVOVOC-MRXNPFEDSA-N 1 2 338.411 3.282 40 0 EGABLO c1nc2n(c1C[N@H+]1CCCC[C@@H]1c1nc3ccccc3o1)CCOC2 ZINC000892160473 1305272125 /nfs/dbraw/zinc/27/21/25/1305272125.db2.gz CWZXRQWAVVOVOC-MRXNPFEDSA-N 1 2 338.411 3.282 40 0 EGABLO O=C(c1ccc(O)c(Cl)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000040017277 213251425 /nfs/dbraw/zinc/25/14/25/213251425.db2.gz SNGDNFUDPUAYIL-UHFFFAOYSA-N 1 2 344.842 3.046 40 0 EGABLO Cc1ccc(CN(C)C(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000038754134 213222754 /nfs/dbraw/zinc/22/27/54/213222754.db2.gz IJDURNXGIHWLMF-UHFFFAOYSA-N 1 2 338.451 3.099 40 0 EGABLO O=C(c1ccccc1)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378397 216179524 /nfs/dbraw/zinc/17/95/24/216179524.db2.gz ZSUZWHITBGDCLM-KRWDZBQOSA-N 1 2 332.407 3.287 40 0 EGABLO Cc1ncsc1-c1nnc([C@H]2CCC[N@@H+]2Cc2cccnc2)o1 ZINC000072390180 216190902 /nfs/dbraw/zinc/19/09/02/216190902.db2.gz DNBWKUNRMBIRJL-CYBMUJFWSA-N 1 2 327.413 3.234 40 0 EGABLO Cc1ncsc1-c1nnc([C@H]2CCC[N@H+]2Cc2cccnc2)o1 ZINC000072390180 216190906 /nfs/dbraw/zinc/19/09/06/216190906.db2.gz DNBWKUNRMBIRJL-CYBMUJFWSA-N 1 2 327.413 3.234 40 0 EGABLO O=C(CCc1ccc(-c2ccccc2F)o1)NCCCn1cc[nH+]c1 ZINC000023238680 212362129 /nfs/dbraw/zinc/36/21/29/212362129.db2.gz ZEJBPIRHUYYVIC-UHFFFAOYSA-N 1 2 341.386 3.421 40 0 EGABLO C[C@@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023180875 212358624 /nfs/dbraw/zinc/35/86/24/212358624.db2.gz ODQFJWCLFJSXEX-PBHICJAKSA-N 1 2 336.501 3.206 40 0 EGABLO C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000216319290 241183763 /nfs/dbraw/zinc/18/37/63/241183763.db2.gz CQFCTOCUIKZMLA-AWEZNQCLSA-N 1 2 339.370 3.095 40 0 EGABLO Cc1ccccc1O[C@@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000216430677 241191236 /nfs/dbraw/zinc/19/12/36/241191236.db2.gz CYCKAZSZBRHESA-INIZCTEOSA-N 1 2 335.407 3.264 40 0 EGABLO COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000242339189 243020457 /nfs/dbraw/zinc/02/04/57/243020457.db2.gz ZFRFLPMTOIWJDS-GFCCVEGCSA-N 1 2 346.406 3.208 40 0 EGABLO COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000242339189 243020459 /nfs/dbraw/zinc/02/04/59/243020459.db2.gz ZFRFLPMTOIWJDS-GFCCVEGCSA-N 1 2 346.406 3.208 40 0 EGABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@H](Oc1ncccc1F)CCO2 ZINC000253599552 244031162 /nfs/dbraw/zinc/03/11/62/244031162.db2.gz RCVPPSOVHOYKOU-CQSZACIVSA-N 1 2 348.443 3.403 40 0 EGABLO CCOc1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000020454727 212131974 /nfs/dbraw/zinc/13/19/74/212131974.db2.gz RDLXVPGVDHTZED-UHFFFAOYSA-N 1 2 340.423 3.170 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)cc[nH+]1 ZINC000257219922 244181144 /nfs/dbraw/zinc/18/11/44/244181144.db2.gz DIVHPJBQKSKDTI-OAHLLOKOSA-N 1 2 335.411 3.019 40 0 EGABLO Cc1ccc(CN(C)C(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000020038780 212095975 /nfs/dbraw/zinc/09/59/75/212095975.db2.gz IEKGAZOUSJZVDP-UHFFFAOYSA-N 1 2 338.451 3.099 40 0 EGABLO Cc1nc2cc(C(=O)N3CCC[C@H]3c3cc[nH+]c(N(C)C)c3)ccc2[nH]1 ZINC000257295633 244450276 /nfs/dbraw/zinc/45/02/76/244450276.db2.gz QZFCQOVXPUWEAP-SFHVURJKSA-N 1 2 349.438 3.310 40 0 EGABLO Cc1[nH+]c([C@@H]2CCCN(C(=O)c3cscn3)C2)c2sccn12 ZINC000019240782 212009144 /nfs/dbraw/zinc/00/91/44/212009144.db2.gz BPWUXACFTCQENA-LLVKDONJSA-N 1 2 332.454 3.181 40 0 EGABLO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2cnc(C)nc2)on1 ZINC000019120972 212001095 /nfs/dbraw/zinc/00/10/95/212001095.db2.gz LYPHUZGQFSKCKM-INIZCTEOSA-N 1 2 338.415 3.199 40 0 EGABLO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2cnc(C)nc2)on1 ZINC000019120972 212001098 /nfs/dbraw/zinc/00/10/98/212001098.db2.gz LYPHUZGQFSKCKM-INIZCTEOSA-N 1 2 338.415 3.199 40 0 EGABLO C[N@H+](Cc1nc2ccccc2s1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097366 217360595 /nfs/dbraw/zinc/36/05/95/217360595.db2.gz BYRVBQHUTOSROJ-ZFWWWQNUSA-N 1 2 338.498 3.084 40 0 EGABLO C[N@@H+](Cc1nc2ccccc2s1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097366 217360597 /nfs/dbraw/zinc/36/05/97/217360597.db2.gz BYRVBQHUTOSROJ-ZFWWWQNUSA-N 1 2 338.498 3.084 40 0 EGABLO COc1ccc([C@H](NC(=O)[C@@H](C)c2ccccc2)c2[nH+]ccn2C)cc1 ZINC000012114926 211294857 /nfs/dbraw/zinc/29/48/57/211294857.db2.gz OPTVDUIAYSAEQX-KXBFYZLASA-N 1 2 349.434 3.438 40 0 EGABLO COc1ccccc1[C@H](Nc1cncc(SC)n1)c1[nH+]ccn1C ZINC000131230486 533021140 /nfs/dbraw/zinc/02/11/40/533021140.db2.gz GUBRHUBVBGCYIA-INIZCTEOSA-N 1 2 341.440 3.142 40 0 EGABLO Fc1ccccc1N1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000054105857 132189681 /nfs/dbraw/zinc/18/96/81/132189681.db2.gz NXHMHHKYPNEIDG-UHFFFAOYSA-N 1 2 338.386 3.198 40 0 EGABLO COc1ccc([C@@H]2CN(C(C)=O)CC[N@H+]2Cc2ccsc2)cc1 ZINC000257336496 286363515 /nfs/dbraw/zinc/36/35/15/286363515.db2.gz YOSLXVFUVQTJHK-SFHVURJKSA-N 1 2 330.453 3.162 40 0 EGABLO COc1ccc([C@@H]2CN(C(C)=O)CC[N@@H+]2Cc2ccsc2)cc1 ZINC000257336496 286363511 /nfs/dbraw/zinc/36/35/11/286363511.db2.gz YOSLXVFUVQTJHK-SFHVURJKSA-N 1 2 330.453 3.162 40 0 EGABLO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+][C@H](C)Cn1cccn1 ZINC000097095649 323214805 /nfs/dbraw/zinc/21/48/05/323214805.db2.gz WVAYDZOLAAMEAU-OAHLLOKOSA-N 1 2 344.459 3.008 40 0 EGABLO CCn1c(C)nnc1C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000097373726 323215360 /nfs/dbraw/zinc/21/53/60/323215360.db2.gz DWUPDSMYKKXIMK-LBPRGKRZSA-N 1 2 342.422 3.090 40 0 EGABLO O=C(Nc1nc2ccccc2s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000009961404 453268469 /nfs/dbraw/zinc/26/84/69/453268469.db2.gz IZCIFGGJRDSWCV-UHFFFAOYSA-N 1 2 339.424 3.045 40 0 EGABLO O=C(OCC[NH+]1CCOCC1)[C@@H](c1ccccc1)C1CCCCC1 ZINC000032130744 453864425 /nfs/dbraw/zinc/86/44/25/453864425.db2.gz LTQNGVKSCYZOJZ-IBGZPJMESA-N 1 2 331.456 3.226 40 0 EGABLO C[C@H](NC(=O)NCc1[nH+]ccn1CCc1ccccc1)c1ccncc1 ZINC000083642728 453954601 /nfs/dbraw/zinc/95/46/01/453954601.db2.gz MNMIPIAJADHYRL-INIZCTEOSA-N 1 2 349.438 3.081 40 0 EGABLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000084128982 453971060 /nfs/dbraw/zinc/97/10/60/453971060.db2.gz GWXOBAPIOUIAOK-KRWDZBQOSA-N 1 2 343.423 3.362 40 0 EGABLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000084128982 453971061 /nfs/dbraw/zinc/97/10/61/453971061.db2.gz GWXOBAPIOUIAOK-KRWDZBQOSA-N 1 2 343.423 3.362 40 0 EGABLO COc1ccccc1[C@@H](C)[N@H+](C)CC(=O)NCc1sccc1C ZINC000076912291 454047932 /nfs/dbraw/zinc/04/79/32/454047932.db2.gz PZNBCELVBCFIMI-CQSZACIVSA-N 1 2 332.469 3.374 40 0 EGABLO COc1ccccc1[C@@H](C)[N@@H+](C)CC(=O)NCc1sccc1C ZINC000076912291 454047937 /nfs/dbraw/zinc/04/79/37/454047937.db2.gz PZNBCELVBCFIMI-CQSZACIVSA-N 1 2 332.469 3.374 40 0 EGABLO C[C@](CO)([NH2+]Cc1noc(Cc2ccccc2)n1)C1CCCCC1 ZINC000077656631 454136191 /nfs/dbraw/zinc/13/61/91/454136191.db2.gz RNZLUAYXAYTOMX-LJQANCHMSA-N 1 2 329.444 3.081 40 0 EGABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccc(C)cc3)[nH]2)cc1OC ZINC000095534312 454230005 /nfs/dbraw/zinc/23/00/05/454230005.db2.gz CDBYQNYZWXZBRC-KRWDZBQOSA-N 1 2 338.411 3.236 40 0 EGABLO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccc(C)cc3)n[nH]2)cc1OC ZINC000095534312 454230012 /nfs/dbraw/zinc/23/00/12/454230012.db2.gz CDBYQNYZWXZBRC-KRWDZBQOSA-N 1 2 338.411 3.236 40 0 EGABLO c1coc(COCc2ncn3c2C[N@H+](Cc2ccoc2)CCC3)c1 ZINC000096059032 454277141 /nfs/dbraw/zinc/27/71/41/454277141.db2.gz RENJFBVLOJPKTN-UHFFFAOYSA-N 1 2 327.384 3.192 40 0 EGABLO c1coc(COCc2ncn3c2C[N@@H+](Cc2ccoc2)CCC3)c1 ZINC000096059032 454277144 /nfs/dbraw/zinc/27/71/44/454277144.db2.gz RENJFBVLOJPKTN-UHFFFAOYSA-N 1 2 327.384 3.192 40 0 EGABLO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@@H+](Cc1ccc(C)o1)C2 ZINC000096059937 454277184 /nfs/dbraw/zinc/27/71/84/454277184.db2.gz QMRQYKHGJBWQCW-QGZVFWFLSA-N 1 2 329.444 3.330 40 0 EGABLO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@H+](Cc1ccc(C)o1)C2 ZINC000096059937 454277187 /nfs/dbraw/zinc/27/71/87/454277187.db2.gz QMRQYKHGJBWQCW-QGZVFWFLSA-N 1 2 329.444 3.330 40 0 EGABLO CCn1ncc2c1[C@H](COCC1CC1)[N@H+](Cc1scnc1C)CC2 ZINC000096197848 454301275 /nfs/dbraw/zinc/30/12/75/454301275.db2.gz WPZIPLXQEITOFM-INIZCTEOSA-N 1 2 346.500 3.194 40 0 EGABLO CCn1ncc2c1[C@H](COCC1CC1)[N@@H+](Cc1scnc1C)CC2 ZINC000096197848 454301279 /nfs/dbraw/zinc/30/12/79/454301279.db2.gz WPZIPLXQEITOFM-INIZCTEOSA-N 1 2 346.500 3.194 40 0 EGABLO COc1ccc(CN2CC3(C2)CC[N@H+](Cc2csc(C)n2)C3)cc1 ZINC000096202545 454303103 /nfs/dbraw/zinc/30/31/03/454303103.db2.gz CPLCFHKYCIJJTL-UHFFFAOYSA-N 1 2 343.496 3.168 40 0 EGABLO COc1ccc(CN2CC3(C2)CC[N@@H+](Cc2csc(C)n2)C3)cc1 ZINC000096202545 454303105 /nfs/dbraw/zinc/30/31/05/454303105.db2.gz CPLCFHKYCIJJTL-UHFFFAOYSA-N 1 2 343.496 3.168 40 0 EGABLO C[C@H](NC(=O)[C@H]1COc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432052 454343377 /nfs/dbraw/zinc/34/33/77/454343377.db2.gz NDNZMHWSVNIHFW-KSSFIOAISA-N 1 2 333.391 3.226 40 0 EGABLO C[C@@H](c1cccnc1)N(C)C(=O)NCc1[nH+]ccn1Cc1ccccc1 ZINC000096440916 454349242 /nfs/dbraw/zinc/34/92/42/454349242.db2.gz KBLMWSQJYWFJBN-INIZCTEOSA-N 1 2 349.438 3.229 40 0 EGABLO O=C(NCCc1[nH+]ccn1C(F)F)N1CC[C@@H](Cc2ccccc2)C1 ZINC000096439729 454349298 /nfs/dbraw/zinc/34/92/98/454349298.db2.gz SGMXOARRIKRPDI-HNNXBMFYSA-N 1 2 348.397 3.095 40 0 EGABLO C[C@@H](NC(=O)N[C@@H](C)c1nccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096439952 454349628 /nfs/dbraw/zinc/34/96/28/454349628.db2.gz SXZHTJRVEVPRGS-OLZOCXBDSA-N 1 2 341.440 3.450 40 0 EGABLO O=C([C@H]1C[C@H]1c1ccc(F)cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000096468585 454361170 /nfs/dbraw/zinc/36/11/70/454361170.db2.gz LQDYXUFLKHCOPH-BZSNNMDCSA-N 1 2 326.371 3.004 40 0 EGABLO O=C(c1ccccc1Br)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120900681 454363151 /nfs/dbraw/zinc/36/31/51/454363151.db2.gz NSESQUIUPOKGRC-ZDUSSCGKSA-N 1 2 347.212 3.138 40 0 EGABLO CC(C)n1nc(-c2ccccc2)cc1NC(=O)NCCn1cc[nH+]c1 ZINC000073996457 454516877 /nfs/dbraw/zinc/51/68/77/454516877.db2.gz HCJCBONNGNLIAL-UHFFFAOYSA-N 1 2 338.415 3.149 40 0 EGABLO O=C(CCc1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000244950784 455278339 /nfs/dbraw/zinc/27/83/39/455278339.db2.gz FLNMWKJCUSWGTB-KRWDZBQOSA-N 1 2 344.480 3.119 40 0 EGABLO CCO[C@@H](C)c1nc(CN(C)c2cc(N3CCCC3)[nH+]cn2)cs1 ZINC000192322191 455591049 /nfs/dbraw/zinc/59/10/49/455591049.db2.gz IADKEUXUOBSAPV-ZDUSSCGKSA-N 1 2 347.488 3.267 40 0 EGABLO CCO[C@@H](C)c1nc(CN(C)c2cc(N3CCCC3)nc[nH+]2)cs1 ZINC000192322191 455591053 /nfs/dbraw/zinc/59/10/53/455591053.db2.gz IADKEUXUOBSAPV-ZDUSSCGKSA-N 1 2 347.488 3.267 40 0 EGABLO CC1CCN(c2ccc(CNC(=O)c3ccoc3Cl)c[nH+]2)CC1 ZINC000192383769 455602575 /nfs/dbraw/zinc/60/25/75/455602575.db2.gz JHMMFIYXMSZXLU-UHFFFAOYSA-N 1 2 333.819 3.494 40 0 EGABLO Cc1csc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CS3)n1 ZINC000247972329 455663367 /nfs/dbraw/zinc/66/33/67/455663367.db2.gz SUIVLFQZIKTINK-HNNXBMFYSA-N 1 2 347.509 3.123 40 0 EGABLO CSc1cccc(F)c1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000253395361 455838111 /nfs/dbraw/zinc/83/81/11/455838111.db2.gz TUUCLZSXJBYQHM-TZMCWYRMSA-N 1 2 333.432 3.467 40 0 EGABLO CO[C@H](C)CCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000253426531 455845319 /nfs/dbraw/zinc/84/53/19/455845319.db2.gz ROCVQJUDCHHJBM-CQSZACIVSA-N 1 2 325.412 3.355 40 0 EGABLO COc1cccc(CC(=O)N2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)c1 ZINC000257287870 455882935 /nfs/dbraw/zinc/88/29/35/455882935.db2.gz PRURUKYWCBAWBU-LJQANCHMSA-N 1 2 347.418 3.218 40 0 EGABLO CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2cncs2)[nH+]1 ZINC000257288204 455883776 /nfs/dbraw/zinc/88/37/76/455883776.db2.gz PTICYSJHZBPJLP-OAHLLOKOSA-N 1 2 344.484 3.232 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)cc[nH+]1 ZINC000257331188 455892955 /nfs/dbraw/zinc/89/29/55/455892955.db2.gz XRSWWJFHWGGZFL-MRXNPFEDSA-N 1 2 342.443 3.067 40 0 EGABLO COc1ccc2ccccc2c1CN1CCOC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000257340443 455895960 /nfs/dbraw/zinc/89/59/60/455895960.db2.gz ZGDMGINGCKXWKT-SFHVURJKSA-N 1 2 337.423 3.453 40 0 EGABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)c1cccc(Cl)c1 ZINC000224351674 456065517 /nfs/dbraw/zinc/06/55/17/456065517.db2.gz QUWRURXIHYXJFJ-UHFFFAOYSA-N 1 2 345.834 3.049 40 0 EGABLO Cc1cccc2nc(N3CCN(c4cc[nH+]c(C)n4)CC3)sc21 ZINC000281454843 456238601 /nfs/dbraw/zinc/23/86/01/456238601.db2.gz LEWSASCLRYWXMY-UHFFFAOYSA-N 1 2 325.441 3.030 40 0 EGABLO c1cnc2c(c1)cccc2CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000277367137 456797324 /nfs/dbraw/zinc/79/73/24/456797324.db2.gz HHFSLUUYVPFWFJ-UHFFFAOYSA-N 1 2 337.452 3.190 40 0 EGABLO c1cnc2c(c1)cccc2CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000277367137 456797327 /nfs/dbraw/zinc/79/73/27/456797327.db2.gz HHFSLUUYVPFWFJ-UHFFFAOYSA-N 1 2 337.452 3.190 40 0 EGABLO Cc1cc2c(cc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)OCO2 ZINC000585141865 459829379 /nfs/dbraw/zinc/82/93/79/459829379.db2.gz ZVTZKIYHYFITFJ-ZDUSSCGKSA-N 1 2 341.289 3.052 40 0 EGABLO CC[C@@H]1CC[C@H](C(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)O1 ZINC000585141570 459829389 /nfs/dbraw/zinc/82/93/89/459829389.db2.gz VVJUQJYGGQKHNM-BZUAXINKSA-N 1 2 331.391 3.054 40 0 EGABLO COc1ccc(CC(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000575604922 459979796 /nfs/dbraw/zinc/97/97/96/459979796.db2.gz HZAHVGGHRSERPE-GOSISDBHSA-N 1 2 340.423 3.011 40 0 EGABLO COC(=O)c1sccc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000153387785 534413814 /nfs/dbraw/zinc/41/38/14/534413814.db2.gz OFHPWYURYZDHHQ-LLVKDONJSA-N 1 2 334.401 3.017 40 0 EGABLO CCN1CC[C@H]([NH2+]Cc2noc(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000225787296 535770873 /nfs/dbraw/zinc/77/08/73/535770873.db2.gz KHOQBJJRAZEVDW-HOCLYGCPSA-N 1 2 338.814 3.096 40 0 EGABLO CC[N@@H+]1CC[C@H](NCc2noc(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000225787296 535770880 /nfs/dbraw/zinc/77/08/80/535770880.db2.gz KHOQBJJRAZEVDW-HOCLYGCPSA-N 1 2 338.814 3.096 40 0 EGABLO CC[N@H+]1CC[C@H](NCc2noc(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000225787296 535770883 /nfs/dbraw/zinc/77/08/83/535770883.db2.gz KHOQBJJRAZEVDW-HOCLYGCPSA-N 1 2 338.814 3.096 40 0 EGABLO COc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H](c2cnccn2)C1 ZINC000257224425 537041642 /nfs/dbraw/zinc/04/16/42/537041642.db2.gz FBTSYYRTOOZGQF-HXUWFJFHSA-N 1 2 335.407 3.212 40 0 EGABLO COc1ccc2ccccc2c1C[N@H+]1CCO[C@@H](c2cnccn2)C1 ZINC000257224425 537041645 /nfs/dbraw/zinc/04/16/45/537041645.db2.gz FBTSYYRTOOZGQF-HXUWFJFHSA-N 1 2 335.407 3.212 40 0 EGABLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cc2ccccn2c1 ZINC000072503209 216264053 /nfs/dbraw/zinc/26/40/53/216264053.db2.gz QSQKFHOLJGCVKX-UHFFFAOYSA-N 1 2 344.418 3.456 40 0 EGABLO CC[C@@H](C)[NH+](CN1C(=S)SC2=NC(=O)CCCN21)[C@H](C)CC ZINC000023153910 212357105 /nfs/dbraw/zinc/35/71/05/212357105.db2.gz XBEMVZXYXJVNCA-VXGBXAGGSA-N 1 2 342.534 3.070 40 0 EGABLO CCc1[nH+]c(C)ccc1OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000193725096 240286057 /nfs/dbraw/zinc/28/60/57/240286057.db2.gz QFBZIUFSBPMBMW-GFCCVEGCSA-N 1 2 330.350 3.132 40 0 EGABLO CN(CC1(c2ccccc2)CC1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000195571436 241016612 /nfs/dbraw/zinc/01/66/12/241016612.db2.gz QCCXTIUCOJLUFB-UHFFFAOYSA-N 1 2 348.450 3.250 40 0 EGABLO C[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000020456489 212132149 /nfs/dbraw/zinc/13/21/49/212132149.db2.gz FQIWWOJDMXRAPI-HNNXBMFYSA-N 1 2 342.414 3.149 40 0 EGABLO Cc1cc(CC2CCN(C(=O)c3ccnn3C(C)C)CC2)cc[nH+]1 ZINC000257205484 244134566 /nfs/dbraw/zinc/13/45/66/244134566.db2.gz AZGZTPITIBLANF-UHFFFAOYSA-N 1 2 326.444 3.262 40 0 EGABLO COc1ccccc1NC(=O)[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000257208678 244144251 /nfs/dbraw/zinc/14/42/51/244144251.db2.gz BNDVYPQTHUKGJP-IBGZPJMESA-N 1 2 340.427 3.039 40 0 EGABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc(C4CCCCC4)no3)C2)[nH+]1 ZINC000257241152 244244385 /nfs/dbraw/zinc/24/43/85/244244385.db2.gz HWUQZYUTIKHZRJ-OAHLLOKOSA-N 1 2 342.443 3.394 40 0 EGABLO Cc1cc(C)nc([C@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257255750 244281007 /nfs/dbraw/zinc/28/10/07/244281007.db2.gz KIRUNKLUKBIBCW-LJQANCHMSA-N 1 2 334.423 3.215 40 0 EGABLO Cc1cc(C)nc([C@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257255750 244281016 /nfs/dbraw/zinc/28/10/16/244281016.db2.gz KIRUNKLUKBIBCW-LJQANCHMSA-N 1 2 334.423 3.215 40 0 EGABLO Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)s1 ZINC000257275155 244391994 /nfs/dbraw/zinc/39/19/94/244391994.db2.gz NOCCPEXUURYNPI-OAHLLOKOSA-N 1 2 344.484 3.127 40 0 EGABLO Cc1nnc(C2CC[NH+](CC(=O)Nc3ccc(C)cc3C)CC2)s1 ZINC000049365493 214002283 /nfs/dbraw/zinc/00/22/83/214002283.db2.gz IHDZBNCHKZWKAG-UHFFFAOYSA-N 1 2 344.484 3.281 40 0 EGABLO C[N@H+](Cc1ccc(Cl)nc1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000080914826 217340129 /nfs/dbraw/zinc/34/01/29/217340129.db2.gz JPGIGIINQRFPIM-QGZVFWFLSA-N 1 2 329.831 3.187 40 0 EGABLO C[N@@H+](Cc1ccc(Cl)nc1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000080914826 217340133 /nfs/dbraw/zinc/34/01/33/217340133.db2.gz JPGIGIINQRFPIM-QGZVFWFLSA-N 1 2 329.831 3.187 40 0 EGABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](C[C@H]4CC=CCC4)C3)[nH]n2c1=O ZINC000012276357 211334038 /nfs/dbraw/zinc/33/40/38/211334038.db2.gz CPSVYTXBEBUPBS-HOTGVXAUSA-N 1 2 340.471 3.451 40 0 EGABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](C[C@H]4CC=CCC4)C3)[nH]n2c1=O ZINC000012276357 211334040 /nfs/dbraw/zinc/33/40/40/211334040.db2.gz CPSVYTXBEBUPBS-HOTGVXAUSA-N 1 2 340.471 3.451 40 0 EGABLO CCn1c2cc(Br)ccc2[nH+]c1NCc1cncn1C ZINC000097379561 219020142 /nfs/dbraw/zinc/02/01/42/219020142.db2.gz PYBNFGNHTALCJT-UHFFFAOYSA-N 1 2 334.221 3.164 40 0 EGABLO CC(C)(C)n1ncnc1C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000330032920 258002149 /nfs/dbraw/zinc/00/21/49/258002149.db2.gz UWPPUSUWIHDWRY-GOSISDBHSA-N 1 2 342.487 3.295 40 0 EGABLO CC(C)(C)n1ncnc1C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000330032920 258002150 /nfs/dbraw/zinc/00/21/50/258002150.db2.gz UWPPUSUWIHDWRY-GOSISDBHSA-N 1 2 342.487 3.295 40 0 EGABLO Cc1cc(C)cc(-n2ncc3c2nc[nH+]c3N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000009627488 280413826 /nfs/dbraw/zinc/41/38/26/280413826.db2.gz UMYBWDGLMVUXSZ-GJZGRUSLSA-N 1 2 337.427 3.046 40 0 EGABLO Cc1sc2c([C@H]3CCCN(c4ncccn4)C3)[nH+]c(C)n2c1C ZINC000072368944 282001113 /nfs/dbraw/zinc/00/11/13/282001113.db2.gz CFPWDBJTNAVIIY-AWEZNQCLSA-N 1 2 327.457 3.495 40 0 EGABLO C[C@@H]1CN(c2cccc[nH+]2)[C@H](C)CN1C(=S)Nc1ccccc1 ZINC000006043805 452918103 /nfs/dbraw/zinc/91/81/03/452918103.db2.gz ITJYKFHLJRPYSS-HUUCEWRRSA-N 1 2 326.469 3.378 40 0 EGABLO Cc1ccc2cc(C[NH2+]c3ccc(N4CCOCC4)cc3)c(=O)[nH]c2c1 ZINC000012088265 453346242 /nfs/dbraw/zinc/34/62/42/453346242.db2.gz OCFOPCPJTSHVTL-UHFFFAOYSA-N 1 2 349.434 3.285 40 0 EGABLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C1(c2ccc(F)cc2)CC1 ZINC000024752547 453745134 /nfs/dbraw/zinc/74/51/34/453745134.db2.gz JVVPQIGBLQDUTQ-UHFFFAOYSA-N 1 2 349.409 3.419 40 0 EGABLO COc1ccc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)cc1 ZINC000081931106 453917882 /nfs/dbraw/zinc/91/78/82/453917882.db2.gz SZCFNIZMCWVLTL-UHFFFAOYSA-N 1 2 335.407 3.064 40 0 EGABLO CN(Cc1nnsc1Cl)Cc1[nH+]ccn1Cc1ccccc1 ZINC000075915312 453939072 /nfs/dbraw/zinc/93/90/72/453939072.db2.gz YXJJOLRCIZVTNS-UHFFFAOYSA-N 1 2 333.848 3.068 40 0 EGABLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000057303771 454118902 /nfs/dbraw/zinc/11/89/02/454118902.db2.gz YGIDBAPKQVXMSD-LJQANCHMSA-N 1 2 343.423 3.358 40 0 EGABLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000057303771 454118906 /nfs/dbraw/zinc/11/89/06/454118906.db2.gz YGIDBAPKQVXMSD-LJQANCHMSA-N 1 2 343.423 3.358 40 0 EGABLO COc1cccc([C@H]([NH3+])c2nc(COc3ccc(Cl)cc3)n[nH]2)c1 ZINC000095533508 454230640 /nfs/dbraw/zinc/23/06/40/454230640.db2.gz UFNHDOXFKOYSSO-INIZCTEOSA-N 1 2 344.802 3.094 40 0 EGABLO CCCNC(=O)C1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000090070052 454272837 /nfs/dbraw/zinc/27/28/37/454272837.db2.gz MCDGHDXCACFHGS-UHFFFAOYSA-N 1 2 332.492 3.466 40 0 EGABLO Fc1ccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cc1 ZINC000096058044 454275055 /nfs/dbraw/zinc/27/50/55/454275055.db2.gz HUWIKRIHNGOORC-YQVWRLOYSA-N 1 2 328.387 3.032 40 0 EGABLO Fc1ccc(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cc1 ZINC000096058044 454275063 /nfs/dbraw/zinc/27/50/63/454275063.db2.gz HUWIKRIHNGOORC-YQVWRLOYSA-N 1 2 328.387 3.032 40 0 EGABLO COC[C@@H]1C[N@H+](Cc2ccco2)Cc2cn(CC3CCCC3)nc21 ZINC000096059980 454276040 /nfs/dbraw/zinc/27/60/40/454276040.db2.gz GJFRJJGBEVICCY-KRWDZBQOSA-N 1 2 329.444 3.412 40 0 EGABLO COC[C@@H]1C[N@@H+](Cc2ccco2)Cc2cn(CC3CCCC3)nc21 ZINC000096059980 454276046 /nfs/dbraw/zinc/27/60/46/454276046.db2.gz GJFRJJGBEVICCY-KRWDZBQOSA-N 1 2 329.444 3.412 40 0 EGABLO Cc1cc(C[N@@H+]2CCc3cnn(C)c3[C@@H]2COCC2CC2)oc1C ZINC000096197805 454301432 /nfs/dbraw/zinc/30/14/32/454301432.db2.gz NEOKLHIHZPXCTI-SFHVURJKSA-N 1 2 329.444 3.156 40 0 EGABLO Cc1cc(C[N@H+]2CCc3cnn(C)c3[C@@H]2COCC2CC2)oc1C ZINC000096197805 454301437 /nfs/dbraw/zinc/30/14/37/454301437.db2.gz NEOKLHIHZPXCTI-SFHVURJKSA-N 1 2 329.444 3.156 40 0 EGABLO CCS(=O)(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000096411339 454329088 /nfs/dbraw/zinc/32/90/88/454329088.db2.gz GVBJTXPUVWRTGC-CQSZACIVSA-N 1 2 346.290 3.021 40 0 EGABLO CCS(=O)(=O)CC[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000096411339 454329091 /nfs/dbraw/zinc/32/90/91/454329091.db2.gz GVBJTXPUVWRTGC-CQSZACIVSA-N 1 2 346.290 3.021 40 0 EGABLO CO[C@@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000096432104 454343220 /nfs/dbraw/zinc/34/32/20/454343220.db2.gz TUOKDCWXFAZQAF-HNAYVOBHSA-N 1 2 335.407 3.437 40 0 EGABLO C[C@H](NC(=O)Cc1noc2ccccc12)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432090 454343607 /nfs/dbraw/zinc/34/36/07/454343607.db2.gz HNCKETLWFWILNL-AWEZNQCLSA-N 1 2 346.390 3.433 40 0 EGABLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CCCS3)n2)CC1 ZINC000096435939 454347497 /nfs/dbraw/zinc/34/74/97/454347497.db2.gz QFSRUKBPCJGGKL-ZDUSSCGKSA-N 1 2 325.503 3.209 40 0 EGABLO CN(CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000073862242 454493277 /nfs/dbraw/zinc/49/32/77/454493277.db2.gz NAPUSWWRBRUWTI-UHFFFAOYSA-N 1 2 348.450 3.188 40 0 EGABLO Cn1cc(Cl)cc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107276096 454749791 /nfs/dbraw/zinc/74/97/91/454749791.db2.gz YIOLYOXCUCMUMY-UHFFFAOYSA-N 1 2 346.862 3.384 40 0 EGABLO COc1cc[nH+]c(CN(C)Cc2nc3c(s2)CCCC3)c1OC ZINC000190628021 455356689 /nfs/dbraw/zinc/35/66/89/455356689.db2.gz DGUDNTDQASPJOY-UHFFFAOYSA-N 1 2 333.457 3.066 40 0 EGABLO Cc1cc(N2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)nc[nH+]1 ZINC000257282668 455881639 /nfs/dbraw/zinc/88/16/39/455881639.db2.gz OUTDADWJOIONCW-OAHLLOKOSA-N 1 2 333.399 3.055 40 0 EGABLO Cc1cc(N2CC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)nc[nH+]1 ZINC000257283120 455883050 /nfs/dbraw/zinc/88/30/50/455883050.db2.gz OWVCGOOXRZWOTB-HNNXBMFYSA-N 1 2 338.386 3.497 40 0 EGABLO Cc1[nH]ncc1C[N@@H+]1CCOC[C@H](Cc2ccc3ccoc3c2)C1 ZINC000257291827 455883670 /nfs/dbraw/zinc/88/36/70/455883670.db2.gz QIUBXPSWBPUCBG-MRXNPFEDSA-N 1 2 325.412 3.155 40 0 EGABLO Cc1[nH]ncc1C[N@H+]1CCOC[C@H](Cc2ccc3ccoc3c2)C1 ZINC000257291827 455883674 /nfs/dbraw/zinc/88/36/74/455883674.db2.gz QIUBXPSWBPUCBG-MRXNPFEDSA-N 1 2 325.412 3.155 40 0 EGABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2Cc2nccs2)cc1 ZINC000257310342 455888996 /nfs/dbraw/zinc/88/89/96/455888996.db2.gz UERVPPYZNGHDIG-HNNXBMFYSA-N 1 2 326.425 3.105 40 0 EGABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2Cc2nccs2)cc1 ZINC000257310343 455889556 /nfs/dbraw/zinc/88/95/56/455889556.db2.gz UERVPPYZNGHDIG-OAHLLOKOSA-N 1 2 326.425 3.105 40 0 EGABLO CN(C)c1cc([C@H]2CCCN2C(=O)Cc2cccc(F)c2)cc[nH+]1 ZINC000257327343 455893213 /nfs/dbraw/zinc/89/32/13/455893213.db2.gz XAZPAJCQSBIJGF-QGZVFWFLSA-N 1 2 327.403 3.193 40 0 EGABLO CCCc1cc(C(=O)N2CCC[C@H](c3cc[nH+]c(NC)c3)C2)no1 ZINC000257335300 455894642 /nfs/dbraw/zinc/89/46/42/455894642.db2.gz YJOJVYFQLNBEPM-AWEZNQCLSA-N 1 2 328.416 3.084 40 0 EGABLO COc1ccccc1C(C)(C)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000280899077 456076062 /nfs/dbraw/zinc/07/60/62/456076062.db2.gz HLMOJQIHKVASRV-UHFFFAOYSA-N 1 2 340.414 3.024 40 0 EGABLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NC2CCC(F)(F)CC2)CC1(C)C ZINC000333993029 456280819 /nfs/dbraw/zinc/28/08/19/456280819.db2.gz LMPYNGQDONSPHT-LBPRGKRZSA-N 1 2 326.391 3.091 40 0 EGABLO O=c1[nH]c(-c2ccccc2)nc2c1OCC[N@H+](Cc1ccsc1)C2 ZINC000306139412 456568091 /nfs/dbraw/zinc/56/80/91/456568091.db2.gz SWPQLRDCUQBHBU-UHFFFAOYSA-N 1 2 339.420 3.305 40 0 EGABLO O=c1[nH]c(-c2ccccc2)nc2c1OCC[N@@H+](Cc1ccsc1)C2 ZINC000306139412 456568096 /nfs/dbraw/zinc/56/80/96/456568096.db2.gz SWPQLRDCUQBHBU-UHFFFAOYSA-N 1 2 339.420 3.305 40 0 EGABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@H](CCOCC3CC3)C2)no1 ZINC000585095248 459821863 /nfs/dbraw/zinc/82/18/63/459821863.db2.gz JEKLHEVCCWSZCG-QGZVFWFLSA-N 1 2 329.444 3.233 40 0 EGABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@H](CCOCC3CC3)C2)no1 ZINC000585095248 459821870 /nfs/dbraw/zinc/82/18/70/459821870.db2.gz JEKLHEVCCWSZCG-QGZVFWFLSA-N 1 2 329.444 3.233 40 0 EGABLO Cc1occc1SCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000131469664 534586957 /nfs/dbraw/zinc/58/69/57/534586957.db2.gz SZOYVMOEFWIEHC-UHFFFAOYSA-N 1 2 337.470 3.371 40 0 EGABLO COc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000043332327 524550974 /nfs/dbraw/zinc/55/09/74/524550974.db2.gz SPZINQKSRVDZDR-UHFFFAOYSA-N 1 2 346.818 3.098 40 0 EGABLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccnc3cc(Cl)ccc32)C1 ZINC000935091570 1330028169 /nfs/dbraw/zinc/02/81/69/1330028169.db2.gz ZDKQDDZDKKPUMZ-LBPRGKRZSA-N 1 2 340.814 3.251 40 0 EGABLO N=C1[NH+]=C2C=CC(I)=CN2Cc2ccccc21 ZINC000003885445 283269838 /nfs/dbraw/zinc/26/98/38/283269838.db2.gz KZXDKDKDPUMMKP-UHFFFAOYSA-N 1 2 335.148 3.072 40 0 EGABLO Cc1cc(Nc2ccccn2)nc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072360082 216165897 /nfs/dbraw/zinc/16/58/97/216165897.db2.gz CINRPQDEVSNTGX-HNNXBMFYSA-N 1 2 349.442 3.026 40 0 EGABLO Cc1cc(Nc2ccccn2)nc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072360082 216165900 /nfs/dbraw/zinc/16/59/00/216165900.db2.gz CINRPQDEVSNTGX-HNNXBMFYSA-N 1 2 349.442 3.026 40 0 EGABLO O=C(c1ccccc1)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378398 216178681 /nfs/dbraw/zinc/17/86/81/216178681.db2.gz ZSUZWHITBGDCLM-QGZVFWFLSA-N 1 2 332.407 3.287 40 0 EGABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC000072378940 216181072 /nfs/dbraw/zinc/18/10/72/216181072.db2.gz DXMUNZNRALDNCD-MRXNPFEDSA-N 1 2 338.455 3.336 40 0 EGABLO C[C@H](NC(=O)C1CCCCC1)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023180872 212358502 /nfs/dbraw/zinc/35/85/02/212358502.db2.gz ODQFJWCLFJSXEX-WMLDXEAASA-N 1 2 336.501 3.206 40 0 EGABLO Cc1cc2[nH+]cn(CCS(=O)(=O)Oc3ccccc3)c2cc1C ZINC000021559639 212231902 /nfs/dbraw/zinc/23/19/02/212231902.db2.gz KVRGQLBWIRKZAI-UHFFFAOYSA-N 1 2 330.409 3.062 40 0 EGABLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000253630128 244041846 /nfs/dbraw/zinc/04/18/46/244041846.db2.gz JZMHTWJOJKHDSC-HNNXBMFYSA-N 1 2 329.419 3.288 40 0 EGABLO CC[N@H+](CCCNS(=O)(=O)c1ccccc1)c1cccc(C)c1 ZINC000255189104 244045996 /nfs/dbraw/zinc/04/59/96/244045996.db2.gz NSXIFTOMXFUUHV-UHFFFAOYSA-N 1 2 332.469 3.190 40 0 EGABLO CC[N@@H+](CCCNS(=O)(=O)c1ccccc1)c1cccc(C)c1 ZINC000255189104 244046005 /nfs/dbraw/zinc/04/60/05/244046005.db2.gz NSXIFTOMXFUUHV-UHFFFAOYSA-N 1 2 332.469 3.190 40 0 EGABLO Cc1c[nH]c(-c2cc(C[C@H]3CCCN(c4cccc[nH+]4)C3)ncn2)n1 ZINC000257216465 244167829 /nfs/dbraw/zinc/16/78/29/244167829.db2.gz CUPMXJRSWSAESL-OAHLLOKOSA-N 1 2 334.427 3.029 40 0 EGABLO Cc1c[nH]nc1[C@H]1CCCCN1C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000257220120 244180249 /nfs/dbraw/zinc/18/02/49/244180249.db2.gz DJPQRNMKQODOTG-QGZVFWFLSA-N 1 2 337.427 3.130 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)Cc3ccc(OC)cc3)C2)cc[nH+]1 ZINC000257244055 244252700 /nfs/dbraw/zinc/25/27/00/244252700.db2.gz IJQYMYNVFMJORE-QGZVFWFLSA-N 1 2 339.439 3.081 40 0 EGABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3csc4c3CCCC4)C2)[nH+]1 ZINC000257263192 244352160 /nfs/dbraw/zinc/35/21/60/244352160.db2.gz LOUIJLSNRRMMBV-CYBMUJFWSA-N 1 2 329.469 3.299 40 0 EGABLO Cc1ccc(C[C@H]2CCC[C@@H]3CN(C(=O)c4cnco4)C[C@@H]32)[nH+]c1 ZINC000257272765 244382743 /nfs/dbraw/zinc/38/27/43/244382743.db2.gz NDTQMEZUJSITQI-BFYDXBDKSA-N 1 2 325.412 3.109 40 0 EGABLO CCN1c2ccc(-c3c[nH+]cn3CC(=O)NC(C)(C)C)cc2C[C@@H]1C ZINC000019719451 212057741 /nfs/dbraw/zinc/05/77/41/212057741.db2.gz CCFLESKLVICKJC-AWEZNQCLSA-N 1 2 340.471 3.236 40 0 EGABLO COc1cccc(C[NH+]2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000019565293 212044464 /nfs/dbraw/zinc/04/44/64/212044464.db2.gz SSNQLTSOMIHCHC-UHFFFAOYSA-N 1 2 343.402 3.184 40 0 EGABLO Cc1c(-c2cccs2)nn2c1[nH]c([C@@H](C)n1cc[nH+]c1)cc2=O ZINC000019557378 212043094 /nfs/dbraw/zinc/04/30/94/212043094.db2.gz QEYRZTIAJCFJJN-LLVKDONJSA-N 1 2 325.397 3.278 40 0 EGABLO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCN1C(=O)c1cccnc1 ZINC000019451485 212027929 /nfs/dbraw/zinc/02/79/29/212027929.db2.gz GXGSYCBWNGXFPA-LJQANCHMSA-N 1 2 341.430 3.203 40 0 EGABLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCN1C(=O)c1cccnc1 ZINC000019451485 212027932 /nfs/dbraw/zinc/02/79/32/212027932.db2.gz GXGSYCBWNGXFPA-LJQANCHMSA-N 1 2 341.430 3.203 40 0 EGABLO COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)c1OC ZINC000019287495 212009663 /nfs/dbraw/zinc/00/96/63/212009663.db2.gz WADIBBUURYJSCW-WMLDXEAASA-N 1 2 325.412 3.064 40 0 EGABLO COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)c1OC ZINC000019287495 212009667 /nfs/dbraw/zinc/00/96/67/212009667.db2.gz WADIBBUURYJSCW-WMLDXEAASA-N 1 2 325.412 3.064 40 0 EGABLO Cc1csc2c([C@@H]3CCCN(C(=O)c4cccnc4)C3)[nH+]c(C)n12 ZINC000019240442 212008661 /nfs/dbraw/zinc/00/86/61/212008661.db2.gz GTLMYVQAZYWCLX-OAHLLOKOSA-N 1 2 340.452 3.427 40 0 EGABLO CCc1[nH]c2ccc(NC(=O)CCn3nc(C)c(C)c3C)cc2[nH+]1 ZINC000012116920 211295807 /nfs/dbraw/zinc/29/58/07/211295807.db2.gz LPCLHAHQRWXNSB-UHFFFAOYSA-N 1 2 325.416 3.276 40 0 EGABLO Cc1cc(C)cc(-n2ncc3c2nc[nH+]c3N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000009627483 280413754 /nfs/dbraw/zinc/41/37/54/280413754.db2.gz UMYBWDGLMVUXSZ-HUUCEWRRSA-N 1 2 337.427 3.046 40 0 EGABLO Cc1ccc2[nH+]cc(CNc3nnc(Cc4ccccc4F)o3)n2c1 ZINC000181831892 323506638 /nfs/dbraw/zinc/50/66/38/323506638.db2.gz CNGDUHYPNXDMKX-UHFFFAOYSA-N 1 2 337.358 3.368 40 0 EGABLO COc1cccc(NCc2n[nH]c([C@H]([NH3+])c3ccc(Cl)cc3)n2)c1 ZINC000095533978 454230302 /nfs/dbraw/zinc/23/03/02/454230302.db2.gz CLRXRFBUEBUBQG-MRXNPFEDSA-N 1 2 343.818 3.127 40 0 EGABLO COc1cccc(NCc2nnc([C@H]([NH3+])c3ccc(Cl)cc3)[nH]2)c1 ZINC000095533978 454230305 /nfs/dbraw/zinc/23/03/05/454230305.db2.gz CLRXRFBUEBUBQG-MRXNPFEDSA-N 1 2 343.818 3.127 40 0 EGABLO COc1cccc(NCc2nc([C@H]([NH3+])c3ccc(Cl)cc3)n[nH]2)c1 ZINC000095533978 454230307 /nfs/dbraw/zinc/23/03/07/454230307.db2.gz CLRXRFBUEBUBQG-MRXNPFEDSA-N 1 2 343.818 3.127 40 0 EGABLO COc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(Cl)c3)[nH]2)cc1OC ZINC000095533805 454230829 /nfs/dbraw/zinc/23/08/29/454230829.db2.gz ONKSNUCTUBEOGT-OAHLLOKOSA-N 1 2 344.802 3.190 40 0 EGABLO COC[C@@H]1C[N@H+](Cc2ccc(F)cc2)Cc2ncn(CC3CC3)c21 ZINC000096045056 454268213 /nfs/dbraw/zinc/26/82/13/454268213.db2.gz IPTOIJUEYIMHCA-INIZCTEOSA-N 1 2 329.419 3.178 40 0 EGABLO COC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2ncn(CC3CC3)c21 ZINC000096045056 454268216 /nfs/dbraw/zinc/26/82/16/454268216.db2.gz IPTOIJUEYIMHCA-INIZCTEOSA-N 1 2 329.419 3.178 40 0 EGABLO COC[C@@H]1CN(Cc2ccc(F)cc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045056 454268220 /nfs/dbraw/zinc/26/82/20/454268220.db2.gz IPTOIJUEYIMHCA-INIZCTEOSA-N 1 2 329.419 3.178 40 0 EGABLO COC[C@@H]1C[N@H+](Cc2ccc(C)s2)Cc2ncn(CC3CC3)c21 ZINC000096045052 454268393 /nfs/dbraw/zinc/26/83/93/454268393.db2.gz CKSUMHROHDIVSZ-HNNXBMFYSA-N 1 2 331.485 3.409 40 0 EGABLO COC[C@@H]1C[N@@H+](Cc2ccc(C)s2)Cc2ncn(CC3CC3)c21 ZINC000096045052 454268394 /nfs/dbraw/zinc/26/83/94/454268394.db2.gz CKSUMHROHDIVSZ-HNNXBMFYSA-N 1 2 331.485 3.409 40 0 EGABLO COC(=O)CCc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000096409875 454327268 /nfs/dbraw/zinc/32/72/68/454327268.db2.gz CRIMHNVGKAVVGQ-UHFFFAOYSA-N 1 2 349.390 3.230 40 0 EGABLO Cc1cc(NC(=O)CCn2cc[nH+]c2-c2ccc(F)c(C)c2)no1 ZINC000096417584 454333529 /nfs/dbraw/zinc/33/35/29/454333529.db2.gz JZHJQYXLNUZIID-UHFFFAOYSA-N 1 2 328.347 3.323 40 0 EGABLO O=C(OCc1cnc(-c2cccs2)o1)c1ccc2[nH+]ccn2c1 ZINC000096418405 454334276 /nfs/dbraw/zinc/33/42/76/454334276.db2.gz IEYLAXIOHXILQL-UHFFFAOYSA-N 1 2 325.349 3.408 40 0 EGABLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000096435465 454346241 /nfs/dbraw/zinc/34/62/41/454346241.db2.gz RHXQBKJNCNGZLI-UHFFFAOYSA-N 1 2 332.379 3.202 40 0 EGABLO O=C(NCc1[nH]cc[nH+]1)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000096485756 454367801 /nfs/dbraw/zinc/36/78/01/454367801.db2.gz ZSZFUXHMPAPQJB-UHFFFAOYSA-N 1 2 340.358 3.450 40 0 EGABLO O=C(C(C1CC1)C1CC1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000096493005 454369499 /nfs/dbraw/zinc/36/94/99/454369499.db2.gz YICYXNBMRNMBJP-UHFFFAOYSA-N 1 2 349.478 3.447 40 0 EGABLO C[C@@H](CNC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000096503000 454372373 /nfs/dbraw/zinc/37/23/73/454372373.db2.gz GXSLKYJJGXPHMX-HNNXBMFYSA-N 1 2 344.484 3.169 40 0 EGABLO COC(=O)C[NH+]1CCC(Nc2ccc(C)c(-c3nc(C)co3)c2)CC1 ZINC000097371248 454433465 /nfs/dbraw/zinc/43/34/65/454433465.db2.gz KBLUZMRNKNWXIH-UHFFFAOYSA-N 1 2 343.427 3.008 40 0 EGABLO C[C@@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)Cc1cccs1 ZINC000074628923 454611677 /nfs/dbraw/zinc/61/16/77/454611677.db2.gz HOALZYOKNQGGRY-ZIAGYGMSSA-N 1 2 332.473 3.239 40 0 EGABLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccccc1Br ZINC000152646386 454705989 /nfs/dbraw/zinc/70/59/89/454705989.db2.gz GHYCZWBICPNRJO-UHFFFAOYSA-N 1 2 341.230 3.059 40 0 EGABLO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)on1 ZINC000184528162 455396351 /nfs/dbraw/zinc/39/63/51/455396351.db2.gz UPYQMYLZZJEKKQ-LBPRGKRZSA-N 1 2 342.424 3.396 40 0 EGABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCCC[N@@H+]2Cc2cc[nH]n2)n1 ZINC000257298369 455885329 /nfs/dbraw/zinc/88/53/29/455885329.db2.gz RLJOLQNJQWSPNY-KRWDZBQOSA-N 1 2 349.442 3.374 40 0 EGABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCCC[N@H+]2Cc2cc[nH]n2)n1 ZINC000257298369 455885333 /nfs/dbraw/zinc/88/53/33/455885333.db2.gz RLJOLQNJQWSPNY-KRWDZBQOSA-N 1 2 349.442 3.374 40 0 EGABLO CNc1nccc([C@@H]2CCCC[N@@H+]2Cc2cnc(C(C)C)nc2)n1 ZINC000257318267 455890804 /nfs/dbraw/zinc/89/08/04/455890804.db2.gz VNEGDDXCFNJNHY-INIZCTEOSA-N 1 2 326.448 3.159 40 0 EGABLO CNc1nccc([C@@H]2CCCC[N@H+]2Cc2cnc(C(C)C)nc2)n1 ZINC000257318267 455890809 /nfs/dbraw/zinc/89/08/09/455890809.db2.gz VNEGDDXCFNJNHY-INIZCTEOSA-N 1 2 326.448 3.159 40 0 EGABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)[nH+]1 ZINC000257334313 455894720 /nfs/dbraw/zinc/89/47/20/455894720.db2.gz YFJYUTVSUKHNKB-LBPRGKRZSA-N 1 2 326.375 3.358 40 0 EGABLO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000194934705 455902777 /nfs/dbraw/zinc/90/27/77/455902777.db2.gz QTYUCXCDMWNGGG-GFCCVEGCSA-N 1 2 342.842 3.283 40 0 EGABLO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000194934705 455902783 /nfs/dbraw/zinc/90/27/83/455902783.db2.gz QTYUCXCDMWNGGG-GFCCVEGCSA-N 1 2 342.842 3.283 40 0 EGABLO Clc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH+]c[nH]3)n2)c1 ZINC000225400394 456080100 /nfs/dbraw/zinc/08/01/00/456080100.db2.gz RACACMFJSDWKCO-INIZCTEOSA-N 1 2 343.818 3.027 40 0 biogenic,in-vitro EGABLO Clc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c[nH+]3)n2)c1 ZINC000225400394 456080107 /nfs/dbraw/zinc/08/01/07/456080107.db2.gz RACACMFJSDWKCO-INIZCTEOSA-N 1 2 343.818 3.027 40 0 biogenic,in-vitro EGABLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000274579292 456262447 /nfs/dbraw/zinc/26/24/47/456262447.db2.gz IRCRPCAHAHGWIY-SECBINFHSA-N 1 2 329.347 3.451 40 0 EGABLO Cc1ccc(CNC(=O)c2nc([C@@H]3CCC[N@H+]3C)n3ccccc23)cc1 ZINC000306137901 456566824 /nfs/dbraw/zinc/56/68/24/456566824.db2.gz RJROMCOZXUAFOQ-SFHVURJKSA-N 1 2 348.450 3.339 40 0 EGABLO Cc1ccc(CNC(=O)c2nc([C@@H]3CCC[N@@H+]3C)n3ccccc23)cc1 ZINC000306137901 456566830 /nfs/dbraw/zinc/56/68/30/456566830.db2.gz RJROMCOZXUAFOQ-SFHVURJKSA-N 1 2 348.450 3.339 40 0 EGABLO CN(c1[nH+]cnc2c1cnn2C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000329429302 456888105 /nfs/dbraw/zinc/88/81/05/456888105.db2.gz GZUZXLLQTVYDTP-CVEARBPZSA-N 1 2 337.427 3.046 40 0 EGABLO O=C([O-])C[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514289030 458797585 /nfs/dbraw/zinc/79/75/85/458797585.db2.gz MJAJXYYJKRVSFN-KBPBESRZSA-N 1 2 345.418 3.067 40 0 biogenic,in-vitro EGABLO O=C([O-])C[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514289030 458797588 /nfs/dbraw/zinc/79/75/88/458797588.db2.gz MJAJXYYJKRVSFN-KBPBESRZSA-N 1 2 345.418 3.067 40 0 biogenic,in-vitro EGABLO COCCc1c[nH+]c2n1CCN(C(=O)c1cc3ccccc3o1)[C@H]2C ZINC000585096816 459822987 /nfs/dbraw/zinc/82/29/87/459822987.db2.gz BDUKKBKNHDXDGV-ZDUSSCGKSA-N 1 2 339.395 3.035 40 0 EGABLO COc1ccccc1CC(=O)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257239582 537018728 /nfs/dbraw/zinc/01/87/28/537018728.db2.gz HPZPKGRNEKCPKH-GOSISDBHSA-N 1 2 347.418 3.218 40 0 EGABLO COc1c(C)c[nH+]c(CNC(=O)NC23CC4CC(CC(C4)C2)C3)c1C ZINC000051755058 214101746 /nfs/dbraw/zinc/10/17/46/214101746.db2.gz KAZKCJABDUJBGH-UHFFFAOYSA-N 1 2 343.471 3.475 40 0 EGABLO O=C(N[C@H]1CCC[C@@H]1n1cc[nH+]c1)c1ccc(Br)cc1 ZINC000037501833 213151652 /nfs/dbraw/zinc/15/16/52/213151652.db2.gz HOYPFUBRCWHMSP-KBPBESRZSA-N 1 2 334.217 3.169 40 0 EGABLO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000072351376 216162362 /nfs/dbraw/zinc/16/23/62/216162362.db2.gz NBXNQVGIPQVSTH-OAHLLOKOSA-N 1 2 332.835 3.102 40 0 EGABLO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1 ZINC000072351376 216162365 /nfs/dbraw/zinc/16/23/65/216162365.db2.gz NBXNQVGIPQVSTH-OAHLLOKOSA-N 1 2 332.835 3.102 40 0 EGABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC000072378941 216180824 /nfs/dbraw/zinc/18/08/24/216180824.db2.gz DXMUNZNRALDNCD-INIZCTEOSA-N 1 2 338.455 3.336 40 0 EGABLO CC[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)c1nc(C(F)(F)F)cs1 ZINC000073277681 216372976 /nfs/dbraw/zinc/37/29/76/216372976.db2.gz RJJMZPZQEBMCMQ-RKDXNWHRSA-N 1 2 332.351 3.187 40 0 EGABLO COc1cc(CNCC[NH+](C)C)ccc1OCc1cccc(C)c1 ZINC000023251060 212365423 /nfs/dbraw/zinc/36/54/23/212365423.db2.gz AKAMJBCDWVWXKW-UHFFFAOYSA-N 1 2 328.456 3.234 40 0 EGABLO CC[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000216466710 241195165 /nfs/dbraw/zinc/19/51/65/241195165.db2.gz LPAKZVSJEMSLLE-HXUWFJFHSA-N 1 2 338.451 3.400 40 0 EGABLO Cc1cn(C)c([C@H]2CCCN2C(=O)C2(c3ccccc3F)CC2)[nH+]1 ZINC000257201650 244120704 /nfs/dbraw/zinc/12/07/04/244120704.db2.gz AIKZQHOVTUFACO-MRXNPFEDSA-N 1 2 327.403 3.263 40 0 EGABLO CNc1cccc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257231785 244217216 /nfs/dbraw/zinc/21/72/16/244217216.db2.gz GIFOZTPZTQIKKI-GOSISDBHSA-N 1 2 349.438 3.087 40 0 EGABLO CNc1cccc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257231785 244217224 /nfs/dbraw/zinc/21/72/24/244217224.db2.gz GIFOZTPZTQIKKI-GOSISDBHSA-N 1 2 349.438 3.087 40 0 EGABLO O=C(CSCc1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020111341 212101970 /nfs/dbraw/zinc/10/19/70/212101970.db2.gz JULAOLRFTCCWCO-UHFFFAOYSA-N 1 2 337.448 3.422 40 0 EGABLO CCc1noc(C)c1C(=O)N1CCC[C@H](c2cc[nH+]c(NC)c2)C1 ZINC000257255578 244281606 /nfs/dbraw/zinc/28/16/06/244281606.db2.gz KIALXFUUGFTNDF-AWEZNQCLSA-N 1 2 328.416 3.002 40 0 EGABLO COc1ccc(OC)c(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)c1 ZINC000012186452 211313442 /nfs/dbraw/zinc/31/34/42/211313442.db2.gz XLYZVVXYPISGAP-KBXCAEBGSA-N 1 2 325.412 3.064 40 0 EGABLO COc1ccc(OC)c(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)c1 ZINC000012186452 211313446 /nfs/dbraw/zinc/31/34/46/211313446.db2.gz XLYZVVXYPISGAP-KBXCAEBGSA-N 1 2 325.412 3.064 40 0 EGABLO Fc1ccc(C(F)(F)F)cc1C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000093646302 218238753 /nfs/dbraw/zinc/23/87/53/218238753.db2.gz YAKWXISIVILZAB-UHFFFAOYSA-N 1 2 328.313 3.342 40 0 EGABLO COC(=O)c1ccc(NC(=O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000009314208 211065379 /nfs/dbraw/zinc/06/53/79/211065379.db2.gz NLZGHLVUMCFJRI-UHFFFAOYSA-N 1 2 337.379 3.078 40 0 EGABLO Cc1nc(N2CCC(C(=O)Nc3cccc(F)c3)CC2)c(C)c(C)[nH+]1 ZINC000095416511 218354956 /nfs/dbraw/zinc/35/49/56/218354956.db2.gz NIINWRPSDHZLSN-UHFFFAOYSA-N 1 2 342.418 3.396 40 0 EGABLO Cc1csc(N(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C2CC2)n1 ZINC000096418442 218781369 /nfs/dbraw/zinc/78/13/69/218781369.db2.gz JAKYGHUBCSJLOD-CQSZACIVSA-N 1 2 342.468 3.259 40 0 EGABLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCCC[C@H]1c1nccs1 ZINC000332674800 154194892 /nfs/dbraw/zinc/19/48/92/154194892.db2.gz BGCXCAGTKKPOEQ-KGLIPLIRSA-N 1 2 345.472 3.154 40 0 EGABLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(F)cn3)cn2c1 ZINC000079351993 292391211 /nfs/dbraw/zinc/39/12/11/292391211.db2.gz SYLSPCULBROURU-UHFFFAOYSA-N 1 2 330.388 3.049 40 0 EGABLO O=C(NCc1nc(C2CC2)cs1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000123270227 222246949 /nfs/dbraw/zinc/24/69/49/222246949.db2.gz BCAKCYLDXWGROU-CYBMUJFWSA-N 1 2 331.445 3.180 40 0 EGABLO CN(C)[C@@H](C[C@@H](C(=O)c1ccccc1)[NH+](C)C)C(=O)c1ccccc1 ZINC000026532570 289289661 /nfs/dbraw/zinc/28/96/61/289289661.db2.gz VBJLWFXZQRWVRV-OALUTQOASA-N 1 2 338.451 3.003 40 0 EGABLO CN(c1[nH+]cnc2c1cnn2C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000329429305 308782370 /nfs/dbraw/zinc/78/23/70/308782370.db2.gz GZUZXLLQTVYDTP-JKSUJKDBSA-N 1 2 337.427 3.046 40 0 EGABLO CCc1cnccc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000130113936 323219341 /nfs/dbraw/zinc/21/93/41/323219341.db2.gz XFPFTDNNDINSIG-AWEZNQCLSA-N 1 2 329.469 3.225 40 0 EGABLO Cc1cc(C)c(CCNC(=O)C2CC[NH+](CC(F)F)CC2)c(C)c1 ZINC000240786067 455264756 /nfs/dbraw/zinc/26/47/56/455264756.db2.gz HZYIKPYUCRRCPT-UHFFFAOYSA-N 1 2 338.442 3.248 40 0 EGABLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(C)c2ccccc2)c(OC)c1 ZINC000007266278 453051142 /nfs/dbraw/zinc/05/11/42/453051142.db2.gz SAFRYUBGVQMVCO-HNNXBMFYSA-N 1 2 342.439 3.187 40 0 EGABLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(C)c2ccccc2)c(OC)c1 ZINC000007266278 453051148 /nfs/dbraw/zinc/05/11/48/453051148.db2.gz SAFRYUBGVQMVCO-HNNXBMFYSA-N 1 2 342.439 3.187 40 0 EGABLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000008532700 453213199 /nfs/dbraw/zinc/21/31/99/453213199.db2.gz WSMSHRQLDDCZAV-UHFFFAOYSA-N 1 2 333.476 3.068 40 0 EGABLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+](CC(N)=O)C(C)C ZINC000008532700 453213208 /nfs/dbraw/zinc/21/32/08/453213208.db2.gz WSMSHRQLDDCZAV-UHFFFAOYSA-N 1 2 333.476 3.068 40 0 EGABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012666945 453389707 /nfs/dbraw/zinc/38/97/07/453389707.db2.gz RPKOKDPXDUUCDY-UHFFFAOYSA-N 1 2 338.386 3.010 40 0 EGABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012666945 453389715 /nfs/dbraw/zinc/38/97/15/453389715.db2.gz RPKOKDPXDUUCDY-UHFFFAOYSA-N 1 2 338.386 3.010 40 0 EGABLO O=[S@](Cc1cn2cc(Br)ccc2[nH+]1)c1ccccc1 ZINC000083977309 453963555 /nfs/dbraw/zinc/96/35/55/453963555.db2.gz MBPSJFDTQHMMRM-IBGZPJMESA-N 1 2 335.226 3.405 40 0 EGABLO O=C(NCCNc1cccc[nH+]1)c1cccc(Oc2nccs2)c1 ZINC000076990098 454057462 /nfs/dbraw/zinc/05/74/62/454057462.db2.gz CSUFIBIAKCNRHH-UHFFFAOYSA-N 1 2 340.408 3.172 40 0 EGABLO COc1ccc(-c2nnc([C@H]([NH3+])c3ccc(Cl)cc3)[nH]2)cc1OC ZINC000095534006 454230786 /nfs/dbraw/zinc/23/07/86/454230786.db2.gz HOAMZSMUICWCKE-OAHLLOKOSA-N 1 2 344.802 3.190 40 0 EGABLO CCn1cc2c(n1)C[N@@H+](Cc1cn(C)c3ccccc13)C[C@H]2COC ZINC000096045195 454267599 /nfs/dbraw/zinc/26/75/99/454267599.db2.gz OCEQXLNRRSDXEP-INIZCTEOSA-N 1 2 338.455 3.141 40 0 EGABLO CCn1cc2c(n1)C[N@H+](Cc1cn(C)c3ccccc13)C[C@H]2COC ZINC000096045195 454267603 /nfs/dbraw/zinc/26/76/03/454267603.db2.gz OCEQXLNRRSDXEP-INIZCTEOSA-N 1 2 338.455 3.141 40 0 EGABLO Fc1ccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)cc1 ZINC000096042237 454268707 /nfs/dbraw/zinc/26/87/07/454268707.db2.gz REOWAJGWHZJMFG-SLFFLAALSA-N 1 2 342.414 3.169 40 0 EGABLO Fc1ccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)cc1 ZINC000096042237 454268712 /nfs/dbraw/zinc/26/87/12/454268712.db2.gz REOWAJGWHZJMFG-SLFFLAALSA-N 1 2 342.414 3.169 40 0 EGABLO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216250 454273602 /nfs/dbraw/zinc/27/36/02/454273602.db2.gz IOWJRJQPKAYBAM-MRXNPFEDSA-N 1 2 347.459 3.380 40 0 EGABLO c1csc(C[N@H+]2Cc3nccn3C[C@H](COc3cccnc3)C2)c1 ZINC000096187948 454299799 /nfs/dbraw/zinc/29/97/99/454299799.db2.gz JSGVLUJAUPNZBY-OAHLLOKOSA-N 1 2 340.452 3.051 40 0 EGABLO c1csc(C[N@@H+]2Cc3nccn3C[C@H](COc3cccnc3)C2)c1 ZINC000096187948 454299802 /nfs/dbraw/zinc/29/98/02/454299802.db2.gz JSGVLUJAUPNZBY-OAHLLOKOSA-N 1 2 340.452 3.051 40 0 EGABLO COc1c(C)c[nH+]c(CSc2nncn2Cc2ccco2)c1C ZINC000096411901 454329740 /nfs/dbraw/zinc/32/97/40/454329740.db2.gz YLPCXMUQVWJLDV-UHFFFAOYSA-N 1 2 330.413 3.232 40 0 EGABLO C[C@H](NC(=O)[C@@H]1COc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432050 454343371 /nfs/dbraw/zinc/34/33/71/454343371.db2.gz NDNZMHWSVNIHFW-KBXCAEBGSA-N 1 2 333.391 3.226 40 0 EGABLO C[C@H](NC(=O)NC1CCSCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096440517 454349891 /nfs/dbraw/zinc/34/98/91/454349891.db2.gz BSABNONRXGXBFA-ZDUSSCGKSA-N 1 2 330.457 3.128 40 0 EGABLO CC(C)(C)CC(=O)NCC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000078994902 454351638 /nfs/dbraw/zinc/35/16/38/454351638.db2.gz DGOJJTQXDZPUTN-UHFFFAOYSA-N 1 2 341.411 3.365 40 0 EGABLO CC(=O)c1cccc(NC(=O)C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000096444985 454352227 /nfs/dbraw/zinc/35/22/27/454352227.db2.gz HVXQQXJFMZTGFG-UHFFFAOYSA-N 1 2 343.452 3.343 40 0 EGABLO COc1ccc(Br)c(CC(=O)Nc2cc[nH+]cc2C)c1 ZINC000096481362 454364832 /nfs/dbraw/zinc/36/48/32/454364832.db2.gz FDTKNBYJYQHJBE-UHFFFAOYSA-N 1 2 335.201 3.342 40 0 EGABLO Cc1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(N(C)C)[nH+]1 ZINC000096483412 454364987 /nfs/dbraw/zinc/36/49/87/454364987.db2.gz KJHAYWRJYZMRRZ-UHFFFAOYSA-N 1 2 327.281 3.265 40 0 EGABLO C[C@@H](c1ccc(-n2cnc3ccccc32)cc1)[N@H+](C)Cc1nncn1C ZINC000096490679 454368923 /nfs/dbraw/zinc/36/89/23/454368923.db2.gz QMGIYTUUSCIMSH-HNNXBMFYSA-N 1 2 346.438 3.347 40 0 EGABLO C[C@@H](c1ccc(-n2cnc3ccccc32)cc1)[N@@H+](C)Cc1nncn1C ZINC000096490679 454368926 /nfs/dbraw/zinc/36/89/26/454368926.db2.gz QMGIYTUUSCIMSH-HNNXBMFYSA-N 1 2 346.438 3.347 40 0 EGABLO CC(C)[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1nnc2ccccn21 ZINC000091058783 454374199 /nfs/dbraw/zinc/37/41/99/454374199.db2.gz IRFRMCBJNGPGMW-LJQANCHMSA-N 1 2 346.438 3.402 40 0 EGABLO C[N@@H+](Cc1cn2cccnc2n1)Cc1ccc(Br)s1 ZINC000124194601 454704934 /nfs/dbraw/zinc/70/49/34/454704934.db2.gz DHAUUANWFMTUSS-UHFFFAOYSA-N 1 2 337.246 3.185 40 0 EGABLO C[N@H+](Cc1cn2cccnc2n1)Cc1ccc(Br)s1 ZINC000124194601 454704936 /nfs/dbraw/zinc/70/49/36/454704936.db2.gz DHAUUANWFMTUSS-UHFFFAOYSA-N 1 2 337.246 3.185 40 0 EGABLO Cc1c[nH+]ccc1NC(=O)NC1(c2ccc(F)cc2)CCOCC1 ZINC000179863296 455090742 /nfs/dbraw/zinc/09/07/42/455090742.db2.gz QPBSLSTVJJUXEZ-UHFFFAOYSA-N 1 2 329.375 3.357 40 0 EGABLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000156556099 455132144 /nfs/dbraw/zinc/13/21/44/455132144.db2.gz QEINPWZKXFIBJP-IUODEOHRSA-N 1 2 346.500 3.097 40 0 EGABLO CCc1nnc(C[N@@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2OC)n1C ZINC000253417479 455842362 /nfs/dbraw/zinc/84/23/62/455842362.db2.gz VXGUNEJGFKPHJT-GOEBONIOSA-N 1 2 328.460 3.359 40 0 EGABLO CCc1nnc(C[N@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2OC)n1C ZINC000253417479 455842368 /nfs/dbraw/zinc/84/23/68/455842368.db2.gz VXGUNEJGFKPHJT-GOEBONIOSA-N 1 2 328.460 3.359 40 0 EGABLO CCCOc1cccc2c(NC[C@@]3(CCO)CCOC3)cc[nH+]c12 ZINC000194727431 455877235 /nfs/dbraw/zinc/87/72/35/455877235.db2.gz HGCLJCDYXBOWDH-LJQANCHMSA-N 1 2 330.428 3.225 40 0 EGABLO CCCOc1cccc2c(NC[C@]3(CCO)CCOC3)cc[nH+]c12 ZINC000194727416 455877268 /nfs/dbraw/zinc/87/72/68/455877268.db2.gz HGCLJCDYXBOWDH-IBGZPJMESA-N 1 2 330.428 3.225 40 0 EGABLO COc1ccc2[nH]cc(C(=O)N3CCC[C@@H](c4[nH]cc(C)[nH+]4)C3)c2c1 ZINC000257297806 455884816 /nfs/dbraw/zinc/88/48/16/455884816.db2.gz RIWJYRIHABOACO-CYBMUJFWSA-N 1 2 338.411 3.228 40 0 EGABLO CCCc1cc(C(=O)N2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)no1 ZINC000257312805 455888596 /nfs/dbraw/zinc/88/85/96/455888596.db2.gz UPOZAXHBLYHTMZ-OAHLLOKOSA-N 1 2 342.443 3.108 40 0 EGABLO CC(C)Nc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)C3CC3)C2)cc[nH+]1 ZINC000257335722 455894338 /nfs/dbraw/zinc/89/43/38/455894338.db2.gz YLNVKXLPJBMNQF-HNNXBMFYSA-N 1 2 339.443 3.018 40 0 EGABLO Cc1ccccc1NC(=O)Nc1c[nH+]c(N2CCCC2)nc1N(C)C ZINC000224143280 547247577 /nfs/dbraw/zinc/24/75/77/547247577.db2.gz AORIOUPPIHTKTM-UHFFFAOYSA-N 1 2 340.431 3.095 40 0 EGABLO Cc1noc2ncnc(N3CCC(n4c(C)[nH+]c5ccccc54)CC3)c12 ZINC000253394825 282420881 /nfs/dbraw/zinc/42/08/81/282420881.db2.gz FFDHLRDKKQRRTQ-UHFFFAOYSA-N 1 2 348.410 3.426 40 0 EGABLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000040434876 213304188 /nfs/dbraw/zinc/30/41/88/213304188.db2.gz LOLZVJKBUHCBRE-CYBMUJFWSA-N 1 2 325.840 3.224 40 0 EGABLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000040434876 213304193 /nfs/dbraw/zinc/30/41/93/213304193.db2.gz LOLZVJKBUHCBRE-CYBMUJFWSA-N 1 2 325.840 3.224 40 0 EGABLO Cn1c2ccccc2[nH+]c1C1CCC(CNC(=O)c2ccno2)CC1 ZINC000038671731 213220173 /nfs/dbraw/zinc/22/01/73/213220173.db2.gz HPEDKMVFCQNCIA-UHFFFAOYSA-N 1 2 338.411 3.265 40 0 EGABLO C[C@@H](c1nnnn1C)[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000189731307 237192405 /nfs/dbraw/zinc/19/24/05/237192405.db2.gz VTJZCOIRHQVVHF-NSHDSACASA-N 1 2 337.880 3.181 40 0 EGABLO Cc1nc(Nc2nccs2)cc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000072360411 216167454 /nfs/dbraw/zinc/16/74/54/216167454.db2.gz IRTTUWSIDGVYHY-ZDUSSCGKSA-N 1 2 341.444 3.045 40 0 EGABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2c2ccnc(C)n2)n1 ZINC000072355698 216164054 /nfs/dbraw/zinc/16/40/54/216164054.db2.gz FUZNBLHMDWOMND-INIZCTEOSA-N 1 2 334.427 3.270 40 0 EGABLO OC1(c2cccc(OC(F)(F)F)c2)CCN(c2cccc[nH+]2)CC1 ZINC000225603007 241947578 /nfs/dbraw/zinc/94/75/78/241947578.db2.gz JLVUSRJHEFEGHS-UHFFFAOYSA-N 1 2 338.329 3.468 40 0 EGABLO C[N@H+](Cc1nc2ccccc2s1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245287329 243103244 /nfs/dbraw/zinc/10/32/44/243103244.db2.gz BYRVBQHUTOSROJ-UKRRQHHQSA-N 1 2 338.498 3.084 40 0 EGABLO C[N@@H+](Cc1nc2ccccc2s1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245287329 243103252 /nfs/dbraw/zinc/10/32/52/243103252.db2.gz BYRVBQHUTOSROJ-UKRRQHHQSA-N 1 2 338.498 3.084 40 0 EGABLO O=C(Nc1ccc(F)c(F)c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020485006 212137644 /nfs/dbraw/zinc/13/76/44/212137644.db2.gz PDOWSKSUNYYQLE-UHFFFAOYSA-N 1 2 332.350 3.049 40 0 EGABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](Oc1ccccn1)CCO2 ZINC000253598923 244030548 /nfs/dbraw/zinc/03/05/48/244030548.db2.gz IZKBLXWQRJXYIG-HNNXBMFYSA-N 1 2 330.453 3.264 40 0 EGABLO Cc1ncsc1C(=O)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257214841 244163331 /nfs/dbraw/zinc/16/33/31/244163331.db2.gz CNQINYJZMIENOP-UHFFFAOYSA-N 1 2 326.425 3.119 40 0 EGABLO COc1ccc(C2(C(=O)N3CCC[C@@H]3c3[nH+]c(C)cn3C)CC2)cc1 ZINC000257217528 244170500 /nfs/dbraw/zinc/17/05/00/244170500.db2.gz CZIWXBWRTUJDJJ-QGZVFWFLSA-N 1 2 339.439 3.132 40 0 EGABLO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCC[N@@H+]3Cc3cncs3)n2)n1 ZINC000257226270 244200557 /nfs/dbraw/zinc/20/05/57/244200557.db2.gz FJYCJWMPRAFFMJ-OAHLLOKOSA-N 1 2 340.456 3.277 40 0 EGABLO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCC[N@H+]3Cc3cncs3)n2)n1 ZINC000257226270 244200562 /nfs/dbraw/zinc/20/05/62/244200562.db2.gz FJYCJWMPRAFFMJ-OAHLLOKOSA-N 1 2 340.456 3.277 40 0 EGABLO c1nc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cs1 ZINC000257229637 244209036 /nfs/dbraw/zinc/20/90/36/244209036.db2.gz FYWMBGVCYJTUMO-OALUTQOASA-N 1 2 344.480 3.483 40 0 EGABLO c1nc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cs1 ZINC000257229637 244209041 /nfs/dbraw/zinc/20/90/41/244209041.db2.gz FYWMBGVCYJTUMO-OALUTQOASA-N 1 2 344.480 3.483 40 0 EGABLO COc1ccc(C(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)cc1F ZINC000257242749 244248687 /nfs/dbraw/zinc/24/86/87/244248687.db2.gz IDYQTWSVJVZQPQ-MRXNPFEDSA-N 1 2 343.402 3.273 40 0 EGABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2Cc2nccs2)c1 ZINC000257263341 244354082 /nfs/dbraw/zinc/35/40/82/244354082.db2.gz LPKYEICGDPUCRS-HNNXBMFYSA-N 1 2 326.425 3.105 40 0 EGABLO Cc1noc(C)c1C(=O)N1CCC[C@@H](c2[nH+]c(C)n3ccsc23)C1 ZINC000019579935 212046517 /nfs/dbraw/zinc/04/65/17/212046517.db2.gz BENMFSQYLRJTLE-CYBMUJFWSA-N 1 2 344.440 3.329 40 0 EGABLO COc1ccccc1CN1CCC[N@H+](Cc2ccccc2OC)C1 ZINC000019319506 212014959 /nfs/dbraw/zinc/01/49/59/212014959.db2.gz XSIBBPVSMCSRJB-UHFFFAOYSA-N 1 2 326.440 3.369 40 0 EGABLO COc1ccccc1CN1CCC[N@@H+](Cc2ccccc2OC)C1 ZINC000019319506 212014964 /nfs/dbraw/zinc/01/49/64/212014964.db2.gz XSIBBPVSMCSRJB-UHFFFAOYSA-N 1 2 326.440 3.369 40 0 EGABLO CCOc1ccccc1C[N@@H+](Cc1cn2ccsc2n1)C[C@H](C)O ZINC000079099888 217192483 /nfs/dbraw/zinc/19/24/83/217192483.db2.gz HDINHSCXXHKNDZ-AWEZNQCLSA-N 1 2 345.468 3.178 40 0 EGABLO CCOc1ccccc1C[N@H+](Cc1cn2ccsc2n1)C[C@H](C)O ZINC000079099888 217192487 /nfs/dbraw/zinc/19/24/87/217192487.db2.gz HDINHSCXXHKNDZ-AWEZNQCLSA-N 1 2 345.468 3.178 40 0 EGABLO FC(F)C(F)(F)CN1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000093416630 218224663 /nfs/dbraw/zinc/22/46/63/218224663.db2.gz VKFALUCJEYKXDG-UHFFFAOYSA-N 1 2 337.386 3.039 40 0 EGABLO Brc1ccc([C@@H]2C[N@H+](Cc3ccncc3)CCO2)cc1 ZINC000097600535 219038814 /nfs/dbraw/zinc/03/88/14/219038814.db2.gz DNQRJJUWHKQGTK-INIZCTEOSA-N 1 2 333.229 3.418 40 0 EGABLO Brc1ccc([C@@H]2C[N@@H+](Cc3ccncc3)CCO2)cc1 ZINC000097600535 219038816 /nfs/dbraw/zinc/03/88/16/219038816.db2.gz DNQRJJUWHKQGTK-INIZCTEOSA-N 1 2 333.229 3.418 40 0 EGABLO O=c1c2sccc2nc2n1CC[N@@H+](Cc1ccc(Cl)cc1)CC2 ZINC000019334488 285216178 /nfs/dbraw/zinc/21/61/78/285216178.db2.gz VLBUTZXZXPQBCN-UHFFFAOYSA-N 1 2 345.855 3.170 40 0 EGABLO O=c1c2sccc2nc2n1CC[N@H+](Cc1ccc(Cl)cc1)CC2 ZINC000019334488 285216180 /nfs/dbraw/zinc/21/61/80/285216180.db2.gz VLBUTZXZXPQBCN-UHFFFAOYSA-N 1 2 345.855 3.170 40 0 EGABLO C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000079032159 257835233 /nfs/dbraw/zinc/83/52/33/257835233.db2.gz GEQAHFDWRNGMAI-SJLPKXTDSA-N 1 2 346.471 3.053 40 0 EGABLO Cc1cs/c(=N\c2ccc(C)cc2)n1CCC[NH+]1CCOCC1 ZINC000005298963 281707409 /nfs/dbraw/zinc/70/74/09/281707409.db2.gz ZWDAXVMLYLCHGP-HNENSFHCSA-N 1 2 331.485 3.121 40 0 EGABLO Cc1cc(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc[nH+]1 ZINC000301228198 308692588 /nfs/dbraw/zinc/69/25/88/308692588.db2.gz FYOGVRDSEUKDMM-UHFFFAOYSA-N 1 2 337.349 3.280 40 0 EGABLO CC1(C)C[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C(C)(C)O1 ZINC000180765712 455241454 /nfs/dbraw/zinc/24/14/54/455241454.db2.gz PCAZHVJXFOCRNX-INIZCTEOSA-N 1 2 342.443 3.018 40 0 EGABLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1OC ZINC000008315415 453190324 /nfs/dbraw/zinc/19/03/24/453190324.db2.gz MWIKNFQKYBWOQV-CQSZACIVSA-N 1 2 328.412 3.163 40 0 EGABLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1OC ZINC000008315415 453190331 /nfs/dbraw/zinc/19/03/31/453190331.db2.gz MWIKNFQKYBWOQV-CQSZACIVSA-N 1 2 328.412 3.163 40 0 EGABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[N@H+](Cc1ccccc1)CC3 ZINC000012219927 453350178 /nfs/dbraw/zinc/35/01/78/453350178.db2.gz LTMRKPDZWHHECL-UHFFFAOYSA-N 1 2 336.439 3.291 40 0 EGABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[N@@H+](Cc1ccccc1)CC3 ZINC000012219927 453350183 /nfs/dbraw/zinc/35/01/83/453350183.db2.gz LTMRKPDZWHHECL-UHFFFAOYSA-N 1 2 336.439 3.291 40 0 EGABLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012972229 453430431 /nfs/dbraw/zinc/43/04/31/453430431.db2.gz IRKRTQMENQNCFV-TUAOUCFPSA-N 1 2 346.349 3.021 40 0 EGABLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012972229 453430437 /nfs/dbraw/zinc/43/04/37/453430437.db2.gz IRKRTQMENQNCFV-TUAOUCFPSA-N 1 2 346.349 3.021 40 0 EGABLO S=C(Nc1ccccc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC000013769436 453489156 /nfs/dbraw/zinc/48/91/56/453489156.db2.gz HKSOUOKYFKKHCN-UHFFFAOYSA-N 1 2 335.860 3.448 40 0 EGABLO O=C(c1ccc(F)cc1F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000028211021 453822729 /nfs/dbraw/zinc/82/27/29/453822729.db2.gz VBJZGWZHFOJRBG-QPJJXVBHSA-N 1 2 342.389 3.436 40 0 EGABLO CC[N@H+](CCCNS(=O)(=O)c1cccc(F)c1)c1ccccc1 ZINC000031074186 453846293 /nfs/dbraw/zinc/84/62/93/453846293.db2.gz UFLBLKKFWJMWQT-UHFFFAOYSA-N 1 2 336.432 3.021 40 0 EGABLO CC[N@@H+](CCCNS(=O)(=O)c1cccc(F)c1)c1ccccc1 ZINC000031074186 453846294 /nfs/dbraw/zinc/84/62/94/453846294.db2.gz UFLBLKKFWJMWQT-UHFFFAOYSA-N 1 2 336.432 3.021 40 0 EGABLO Cc1noc(C)c1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000081932473 453917766 /nfs/dbraw/zinc/91/77/66/453917766.db2.gz BWRMJTIGQYVEDA-UHFFFAOYSA-N 1 2 338.411 3.051 40 0 EGABLO Cn1c2ccccc2nc1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000042380862 454008820 /nfs/dbraw/zinc/00/88/20/454008820.db2.gz LIXYBUWMNCKMJN-UHFFFAOYSA-N 1 2 338.430 3.030 40 0 EGABLO CCOC1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000077445315 454107090 /nfs/dbraw/zinc/10/70/90/454107090.db2.gz FKFVWSADVCTBPH-UHFFFAOYSA-N 1 2 328.416 3.120 40 0 EGABLO [NH3+][C@H](c1nc(COc2ccc(F)cc2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533976 454230167 /nfs/dbraw/zinc/23/01/67/454230167.db2.gz HADGXIKCDFXZOL-HNNXBMFYSA-N 1 2 332.766 3.224 40 0 EGABLO c1cn2c([nH+]1)CN(Cc1ccsc1)C[C@@H](COc1cccnc1)C2 ZINC000096187962 454299010 /nfs/dbraw/zinc/29/90/10/454299010.db2.gz SHCQROUIUHPUQO-MRXNPFEDSA-N 1 2 340.452 3.051 40 0 EGABLO c1cn2c(n1)C[N@H+](Cc1ccsc1)C[C@@H](COc1cccnc1)C2 ZINC000096187962 454299016 /nfs/dbraw/zinc/29/90/16/454299016.db2.gz SHCQROUIUHPUQO-MRXNPFEDSA-N 1 2 340.452 3.051 40 0 EGABLO c1cn2c(n1)C[N@@H+](Cc1ccsc1)C[C@@H](COc1cccnc1)C2 ZINC000096187962 454299020 /nfs/dbraw/zinc/29/90/20/454299020.db2.gz SHCQROUIUHPUQO-MRXNPFEDSA-N 1 2 340.452 3.051 40 0 EGABLO Cc1csc(-c2cccc(C(=O)N[C@H](C)Cn3cc[nH+]c3)c2)n1 ZINC000096416897 454333513 /nfs/dbraw/zinc/33/35/13/454333513.db2.gz PVVHPJISAGTYQA-GFCCVEGCSA-N 1 2 326.425 3.134 40 0 EGABLO CC(C)Cn1cc[nH+]c1CNc1ccc2nnc(-c3ccccc3)n2n1 ZINC000096429600 454340985 /nfs/dbraw/zinc/34/09/85/454340985.db2.gz GRMWYGKDMWERFU-UHFFFAOYSA-N 1 2 347.426 3.256 40 0 EGABLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccn(-c2ccccc2)n1 ZINC000096433838 454344445 /nfs/dbraw/zinc/34/44/45/454344445.db2.gz XEQJRSHKDJVWLR-UHFFFAOYSA-N 1 2 338.415 3.047 40 0 EGABLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc2[nH]cnc2c1 ZINC000096441043 454350971 /nfs/dbraw/zinc/35/09/71/454350971.db2.gz BVEPZJZQBWOFKH-UHFFFAOYSA-N 1 2 345.406 3.080 40 0 EGABLO CNC(=O)c1ccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000096447121 454353944 /nfs/dbraw/zinc/35/39/44/454353944.db2.gz KTVJJHVVBNOOQW-UHFFFAOYSA-N 1 2 329.469 3.014 40 0 EGABLO CNC(=O)c1ccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000096447121 454353949 /nfs/dbraw/zinc/35/39/49/454353949.db2.gz KTVJJHVVBNOOQW-UHFFFAOYSA-N 1 2 329.469 3.014 40 0 EGABLO O=C(Cc1c(F)cccc1Cl)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000062017618 454364866 /nfs/dbraw/zinc/36/48/66/454364866.db2.gz SAHSHRKKCRSIBM-UHFFFAOYSA-N 1 2 335.810 3.157 40 0 EGABLO Cn1cc(CNc2ccc(N3CCCC3)[nH+]c2)c(-c2ccncc2)n1 ZINC000096483178 454365550 /nfs/dbraw/zinc/36/55/50/454365550.db2.gz CWIVACNQNKFNQY-UHFFFAOYSA-N 1 2 334.427 3.089 40 0 EGABLO c1cn(CCOc2ccccc2N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c[nH+]1 ZINC000097376940 454434255 /nfs/dbraw/zinc/43/42/55/454434255.db2.gz JYBKIBVXMYRWRI-IPELMVKDSA-N 1 2 339.439 3.332 40 0 EGABLO CC1CCN(C(=O)C2CCN(c3[nH+]c4ccccc4n3C)CC2)CC1 ZINC000178808273 454980398 /nfs/dbraw/zinc/98/03/98/454980398.db2.gz PCIFAQOQSFZXOP-UHFFFAOYSA-N 1 2 340.471 3.048 40 0 EGABLO O=C(/C=C/c1cccs1)NC[C@H](c1ccoc1)[NH+]1CCSCC1 ZINC000245171796 455279395 /nfs/dbraw/zinc/27/93/95/455279395.db2.gz XVNYOROUWPGBFE-MRXNPFEDSA-N 1 2 348.493 3.261 40 0 EGABLO O=C(CC1CCCC1)N1CC2(C1)OCC[C@H]2CCNc1cccc[nH+]1 ZINC000247843118 455649049 /nfs/dbraw/zinc/64/90/49/455649049.db2.gz GCDLLJVXBGNKGS-QGZVFWFLSA-N 1 2 343.471 3.081 40 0 EGABLO c1cc2n(n1)C[C@H](CNc1ccccn1)C[N@@H+](Cc1ccsc1)C2 ZINC000247926755 455656463 /nfs/dbraw/zinc/65/64/63/455656463.db2.gz BAMCECNJBXIIJO-MRXNPFEDSA-N 1 2 339.468 3.084 40 0 EGABLO c1cc2n(n1)C[C@H](CNc1ccccn1)C[N@H+](Cc1ccsc1)C2 ZINC000247926755 455656466 /nfs/dbraw/zinc/65/64/66/455656466.db2.gz BAMCECNJBXIIJO-MRXNPFEDSA-N 1 2 339.468 3.084 40 0 EGABLO Cc1csc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCSCC2)c1 ZINC000253403994 455840576 /nfs/dbraw/zinc/84/05/76/455840576.db2.gz QTVIOBKOBUZSFC-ZDUSSCGKSA-N 1 2 336.482 3.169 40 0 EGABLO CN(C)c1cc([C@H]2CCCN2C(=O)COc2ccccc2F)cc[nH+]1 ZINC000257288163 455882557 /nfs/dbraw/zinc/88/25/57/455882557.db2.gz PTCXWATWZUOIDR-MRXNPFEDSA-N 1 2 343.402 3.029 40 0 EGABLO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1ccccc1Cl ZINC000257316288 455890333 /nfs/dbraw/zinc/89/03/33/455890333.db2.gz VEYKVTDFRWQKAX-HNNXBMFYSA-N 1 2 332.835 3.102 40 0 EGABLO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1ccccc1Cl ZINC000257316288 455890335 /nfs/dbraw/zinc/89/03/35/455890335.db2.gz VEYKVTDFRWQKAX-HNNXBMFYSA-N 1 2 332.835 3.102 40 0 EGABLO COc1cccc(C[N@@H+]2CCC[C@@H]2c2cncc(N(C)C)n2)c1F ZINC000257323994 455891557 /nfs/dbraw/zinc/89/15/57/455891557.db2.gz WMSLFSOUUSRNTN-OAHLLOKOSA-N 1 2 330.407 3.027 40 0 EGABLO COc1cccc(C[N@H+]2CCC[C@@H]2c2cncc(N(C)C)n2)c1F ZINC000257323994 455891564 /nfs/dbraw/zinc/89/15/64/455891564.db2.gz WMSLFSOUUSRNTN-OAHLLOKOSA-N 1 2 330.407 3.027 40 0 EGABLO COc1cccc(C[N@@H+]2CCC[C@H]2c2cncc(N(C)C)n2)c1F ZINC000257323993 455892234 /nfs/dbraw/zinc/89/22/34/455892234.db2.gz WMSLFSOUUSRNTN-HNNXBMFYSA-N 1 2 330.407 3.027 40 0 EGABLO COc1cccc(C[N@H+]2CCC[C@H]2c2cncc(N(C)C)n2)c1F ZINC000257323993 455892237 /nfs/dbraw/zinc/89/22/37/455892237.db2.gz WMSLFSOUUSRNTN-HNNXBMFYSA-N 1 2 330.407 3.027 40 0 EGABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)C1CCCCC1 ZINC000224354426 456067068 /nfs/dbraw/zinc/06/70/68/456067068.db2.gz USEWKRIGUZDQLP-UHFFFAOYSA-N 1 2 331.464 3.052 40 0 EGABLO COc1cccc([C@@H](Nc2nc[nH+]c(N)c2Cl)c2ccccn2)c1 ZINC000225486676 456087091 /nfs/dbraw/zinc/08/70/91/456087091.db2.gz PJQMVAQLMSJCQS-OAHLLOKOSA-N 1 2 341.802 3.317 40 0 EGABLO COc1cccc([C@@H](Nc2[nH+]cnc(N)c2Cl)c2ccccn2)c1 ZINC000225486676 456087096 /nfs/dbraw/zinc/08/70/96/456087096.db2.gz PJQMVAQLMSJCQS-OAHLLOKOSA-N 1 2 341.802 3.317 40 0 EGABLO CCNC(=O)c1cc(N)ccc1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000225485904 456087821 /nfs/dbraw/zinc/08/78/21/456087821.db2.gz RNSKCVNZHILWGM-UHFFFAOYSA-N 1 2 337.467 3.478 40 0 EGABLO CCOC(=O)c1n[nH]c([C@@H](CC(C)C)[NH2+]Cc2ccc(F)c(C)c2)n1 ZINC000585141435 459829881 /nfs/dbraw/zinc/82/98/81/459829881.db2.gz VVILMFSFENQSSR-OAHLLOKOSA-N 1 2 348.422 3.306 40 0 EGABLO Cc1nc(N2CC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)cc[nH+]1 ZINC000585261102 459831350 /nfs/dbraw/zinc/83/13/50/459831350.db2.gz JDQYPCGAXWXHCW-HNNXBMFYSA-N 1 2 338.386 3.497 40 0 EGABLO CCCc1ccc(C[N@@H+]2C[C@]3(F)CN(CC4CC4)C(=O)[C@]3(F)C2)cc1 ZINC000306128245 547459731 /nfs/dbraw/zinc/45/97/31/547459731.db2.gz GVBPOHFJEJWXED-VQTJNVASSA-N 1 2 348.437 3.124 40 0 EGABLO CCCc1ccc(C[N@H+]2C[C@]3(F)CN(CC4CC4)C(=O)[C@]3(F)C2)cc1 ZINC000306128245 547459735 /nfs/dbraw/zinc/45/97/35/547459735.db2.gz GVBPOHFJEJWXED-VQTJNVASSA-N 1 2 348.437 3.124 40 0 EGABLO Cc1cccc(OCc2ccc(C(=O)NCCCn3cc[nH+]c3)o2)c1 ZINC000027976496 1291298529 /nfs/dbraw/zinc/29/85/29/1291298529.db2.gz TZMJBWMAVBCGKB-UHFFFAOYSA-N 1 2 339.395 3.184 40 0 EGABLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C)c2)c(OC)c1 ZINC000003540757 210050221 /nfs/dbraw/zinc/05/02/21/210050221.db2.gz SQQJLNJMKGLXHA-UHFFFAOYSA-N 1 2 328.412 3.083 40 0 EGABLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2)c(OC)c1 ZINC000003540757 210050225 /nfs/dbraw/zinc/05/02/25/210050225.db2.gz SQQJLNJMKGLXHA-UHFFFAOYSA-N 1 2 328.412 3.083 40 0 EGABLO Cc1nc(N2CCC([C@H]3CCCCN(C(C)C)C3=O)CC2)cc[nH+]1 ZINC000072369084 216176022 /nfs/dbraw/zinc/17/60/22/216176022.db2.gz PCQXRBCQTXEDAC-QGZVFWFLSA-N 1 2 330.476 3.039 40 0 EGABLO c1ccc(CC[N@@H+]2CCC[C@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377566 216178592 /nfs/dbraw/zinc/17/85/92/216178592.db2.gz AZFFQPOJIKCAHX-SFHVURJKSA-N 1 2 346.438 3.390 40 0 EGABLO c1ccc(CC[N@H+]2CCC[C@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377566 216178593 /nfs/dbraw/zinc/17/85/93/216178593.db2.gz AZFFQPOJIKCAHX-SFHVURJKSA-N 1 2 346.438 3.390 40 0 EGABLO CCCCc1[nH]c2ccc(NC(=O)COCc3cc(C)no3)cc2[nH+]1 ZINC000193491387 240184397 /nfs/dbraw/zinc/18/43/97/240184397.db2.gz HCQHXDROHLOOAE-UHFFFAOYSA-N 1 2 342.399 3.357 40 0 EGABLO Cc1ccc(C)c(OCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000224048263 241724799 /nfs/dbraw/zinc/72/47/99/241724799.db2.gz YEESBIGCNBCJGT-UHFFFAOYSA-N 1 2 349.434 3.357 40 0 EGABLO FC(F)c1ccnc(NCc2[nH+]ccn2CCc2ccccc2)n1 ZINC000225750654 242016539 /nfs/dbraw/zinc/01/65/39/242016539.db2.gz JLHMZVZFAJFCPI-UHFFFAOYSA-N 1 2 329.354 3.466 40 0 EGABLO Cc1cc(C)c(C)c(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000020459969 212133651 /nfs/dbraw/zinc/13/36/51/212133651.db2.gz AGCZMODZAMBNQR-UHFFFAOYSA-N 1 2 349.434 3.493 40 0 EGABLO Cc1ccc(CC(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)s1 ZINC000257210592 244150701 /nfs/dbraw/zinc/15/07/01/244150701.db2.gz BVHGXXFFZJKPMZ-MRXNPFEDSA-N 1 2 329.469 3.424 40 0 EGABLO Cc1noc(C)c1CCC(=O)N1CCC[C@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257211486 244154227 /nfs/dbraw/zinc/15/42/27/244154227.db2.gz BZATYPIZAHNFHY-KRWDZBQOSA-N 1 2 342.443 3.049 40 0 EGABLO CNc1cccc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257231786 244216230 /nfs/dbraw/zinc/21/62/30/244216230.db2.gz GIFOZTPZTQIKKI-SFHVURJKSA-N 1 2 349.438 3.087 40 0 EGABLO CNc1cccc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257231786 244216235 /nfs/dbraw/zinc/21/62/35/244216235.db2.gz GIFOZTPZTQIKKI-SFHVURJKSA-N 1 2 349.438 3.087 40 0 EGABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)[nH+]1 ZINC000257240274 244240853 /nfs/dbraw/zinc/24/08/53/244240853.db2.gz HSVGWQJERKRGKN-CYBMUJFWSA-N 1 2 340.402 3.369 40 0 EGABLO CSC[C@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1ccccc1 ZINC000077344675 216877954 /nfs/dbraw/zinc/87/79/54/216877954.db2.gz ZWNKOHNSDCOWFV-INIZCTEOSA-N 1 2 344.484 3.051 40 0 EGABLO CN(C)c1ncc(C[N@H+](Cc2ccccc2)Cc2ccncc2)cn1 ZINC000019585453 212046767 /nfs/dbraw/zinc/04/67/67/212046767.db2.gz MUOBYYAWUYTRFU-UHFFFAOYSA-N 1 2 333.439 3.140 40 0 EGABLO CN(C)c1ncc(C[N@@H+](Cc2ccccc2)Cc2ccncc2)cn1 ZINC000019585453 212046772 /nfs/dbraw/zinc/04/67/72/212046772.db2.gz MUOBYYAWUYTRFU-UHFFFAOYSA-N 1 2 333.439 3.140 40 0 EGABLO Cc1[nH+]c(C2CCN(C(=O)CC[C@@H]3CCCO3)CC2)c2sccn12 ZINC000019240802 212009085 /nfs/dbraw/zinc/00/90/85/212009085.db2.gz ZEXCMNLCCRLRAR-HNNXBMFYSA-N 1 2 347.484 3.369 40 0 EGABLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000079353083 217213361 /nfs/dbraw/zinc/21/33/61/217213361.db2.gz IGZYXUGJFXJSKC-HNNXBMFYSA-N 1 2 334.423 3.082 40 0 EGABLO CCN(CC)c1cc(NC[C@@H]2CCCN2C(=O)OC(C)(C)C)[nH+]cn1 ZINC000079440161 217224634 /nfs/dbraw/zinc/22/46/34/217224634.db2.gz INEDDVOSRSSGDN-AWEZNQCLSA-N 1 2 349.479 3.134 40 0 EGABLO CCN(CC)c1cc(NC[C@@H]2CCCN2C(=O)OC(C)(C)C)nc[nH+]1 ZINC000079440161 217224636 /nfs/dbraw/zinc/22/46/36/217224636.db2.gz INEDDVOSRSSGDN-AWEZNQCLSA-N 1 2 349.479 3.134 40 0 EGABLO O=C(C[NH+]1Cc2ccccc2C1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012221886 211323905 /nfs/dbraw/zinc/32/39/05/211323905.db2.gz RWLSUQRAJMTGBM-LJQANCHMSA-N 1 2 346.434 3.242 40 0 EGABLO Cc1csc([C@H](Cc2ccsc2)NC(=O)CCn2cc[nH+]c2)n1 ZINC000012087891 211289986 /nfs/dbraw/zinc/28/99/86/211289986.db2.gz FOGDWOYERVQRKA-AWEZNQCLSA-N 1 2 346.481 3.200 40 0 EGABLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000093384965 218220294 /nfs/dbraw/zinc/22/02/94/218220294.db2.gz XTMHOUCBCFITLB-SECBINFHSA-N 1 2 343.798 3.224 40 0 EGABLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000093384965 218220295 /nfs/dbraw/zinc/22/02/95/218220295.db2.gz XTMHOUCBCFITLB-SECBINFHSA-N 1 2 343.798 3.224 40 0 EGABLO COc1ccc(C[N@H+]2[C@H](C)COC[C@@H]2C)cc1OCc1cccnc1 ZINC000093607291 218234765 /nfs/dbraw/zinc/23/47/65/218234765.db2.gz PETLJJSCVXBVNX-IYBDPMFKSA-N 1 2 342.439 3.278 40 0 EGABLO COc1ccc(C[N@@H+]2[C@H](C)COC[C@@H]2C)cc1OCc1cccnc1 ZINC000093607291 218234767 /nfs/dbraw/zinc/23/47/67/218234767.db2.gz PETLJJSCVXBVNX-IYBDPMFKSA-N 1 2 342.439 3.278 40 0 EGABLO C[N@@H+]1CC[C@H](NC(=O)Cc2cccs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449221 218393119 /nfs/dbraw/zinc/39/31/19/218393119.db2.gz OXBKPUWZDKNYBK-RDJZCZTQSA-N 1 2 336.407 3.130 40 0 EGABLO C[N@H+]1CC[C@H](NC(=O)Cc2cccs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449221 218393121 /nfs/dbraw/zinc/39/31/21/218393121.db2.gz OXBKPUWZDKNYBK-RDJZCZTQSA-N 1 2 336.407 3.130 40 0 EGABLO COc1ccc(OCc2n[nH]c([C@H]([NH3+])c3ccc(Cl)cc3)n2)cc1 ZINC000095533974 218434496 /nfs/dbraw/zinc/43/44/96/218434496.db2.gz STKLLRPOLDXXAW-MRXNPFEDSA-N 1 2 344.802 3.094 40 0 EGABLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1N1CCCC1 ZINC000097230922 219000297 /nfs/dbraw/zinc/00/02/97/219000297.db2.gz KCWJFQAHJSKFOS-QGZVFWFLSA-N 1 2 345.878 3.406 40 0 EGABLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1N1CCCC1 ZINC000097230922 219000298 /nfs/dbraw/zinc/00/02/98/219000298.db2.gz KCWJFQAHJSKFOS-QGZVFWFLSA-N 1 2 345.878 3.406 40 0 EGABLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000096474656 279246744 /nfs/dbraw/zinc/24/67/44/279246744.db2.gz JZYFDERZWMZELB-UHFFFAOYSA-N 1 2 348.321 3.455 40 0 EGABLO CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000332079088 308825586 /nfs/dbraw/zinc/82/55/86/308825586.db2.gz HYVBYBUSIGRNOL-GDBMZVCRSA-N 1 2 347.484 3.112 40 0 EGABLO COc1ccc(C[C@@H]2Cc3cc(OC)c(OC)cc3C=[NH+]2)cc1OC ZINC000002001827 452683022 /nfs/dbraw/zinc/68/30/22/452683022.db2.gz DJBQMOKXDOEAAA-MRXNPFEDSA-N 1 2 341.407 3.307 40 0 EGABLO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2cccc(Br)c2)C1 ZINC000022115741 453686866 /nfs/dbraw/zinc/68/68/66/453686866.db2.gz GBSJUGQKOBCQRZ-ZDUSSCGKSA-N 1 2 341.249 3.331 40 0 EGABLO Cc1cccn2cc(CSc3nnc(C4CCCCC4)n3N)[nH+]c12 ZINC000025603310 453779413 /nfs/dbraw/zinc/77/94/13/453779413.db2.gz AXVCLOYKIRXXFN-UHFFFAOYSA-N 1 2 342.472 3.288 40 0 EGABLO Cc1ccc(O[C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000030752728 453837763 /nfs/dbraw/zinc/83/77/63/453837763.db2.gz ZROUOBLIQBJUMR-MRXNPFEDSA-N 1 2 335.407 3.264 40 0 EGABLO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000030756616 453837825 /nfs/dbraw/zinc/83/78/25/453837825.db2.gz GWCKYSZAAVBCMQ-QGZVFWFLSA-N 1 2 338.451 3.318 40 0 EGABLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C)n1cnc2ccccc21 ZINC000031818417 453855201 /nfs/dbraw/zinc/85/52/01/453855201.db2.gz ZSSPRPOQBPIDTK-CQSZACIVSA-N 1 2 347.422 3.072 40 0 EGABLO Cc1noc(C)c1C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000032819596 453892681 /nfs/dbraw/zinc/89/26/81/453892681.db2.gz NTUPOBRJMPLSRD-UHFFFAOYSA-N 1 2 328.441 3.223 40 0 EGABLO C[C@H](c1c(F)cccc1F)S(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000083992621 453964387 /nfs/dbraw/zinc/96/43/87/453964387.db2.gz MSVWNXZOPGDVHT-LLVKDONJSA-N 1 2 336.363 3.289 40 0 EGABLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC(Cc2ccccc2)CC1 ZINC000085472853 454030681 /nfs/dbraw/zinc/03/06/81/454030681.db2.gz OVZWAMXKNZYVBF-UHFFFAOYSA-N 1 2 346.434 3.362 40 0 EGABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000044889246 454123706 /nfs/dbraw/zinc/12/37/06/454123706.db2.gz QEBKAYNGTZMAAQ-INIZCTEOSA-N 1 2 327.334 3.218 40 0 EGABLO COc1ccccc1[C@@H](NC(=O)c1ccsc1)c1[nH+]ccn1C ZINC000044890362 454124555 /nfs/dbraw/zinc/12/45/55/454124555.db2.gz QMFXYPRAMJJCLL-OAHLLOKOSA-N 1 2 327.409 3.010 40 0 EGABLO C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc2ccccc2[nH]1 ZINC000044919341 454127066 /nfs/dbraw/zinc/12/70/66/454127066.db2.gz LIDMIXARPZYSQC-CQSZACIVSA-N 1 2 345.406 3.299 40 0 EGABLO COc1cc(C)sc1C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000070814064 454177823 /nfs/dbraw/zinc/17/78/23/454177823.db2.gz HHKIBAQRQUPHDG-UHFFFAOYSA-N 1 2 345.468 3.201 40 0 EGABLO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4nccs4)C3)CC2=O)s1 ZINC000096050862 454273025 /nfs/dbraw/zinc/27/30/25/454273025.db2.gz NWDUYUNEECNIIN-MRXNPFEDSA-N 1 2 333.482 3.142 40 0 EGABLO Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4nccs4)C3)CC2=O)s1 ZINC000096050862 454273026 /nfs/dbraw/zinc/27/30/26/454273026.db2.gz NWDUYUNEECNIIN-MRXNPFEDSA-N 1 2 333.482 3.142 40 0 EGABLO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@@H+](Cc1ccc(C)o1)C2 ZINC000096059936 454276823 /nfs/dbraw/zinc/27/68/23/454276823.db2.gz QMRQYKHGJBWQCW-KRWDZBQOSA-N 1 2 329.444 3.330 40 0 EGABLO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@H+](Cc1ccc(C)o1)C2 ZINC000096059936 454276826 /nfs/dbraw/zinc/27/68/26/454276826.db2.gz QMRQYKHGJBWQCW-KRWDZBQOSA-N 1 2 329.444 3.330 40 0 EGABLO Cc1nc(COC[C@H]2CC[C@H]3[C@H](CCN3c3cccc[nH+]3)O2)cs1 ZINC000096064807 454278514 /nfs/dbraw/zinc/27/85/14/454278514.db2.gz CTLTUAZGAQTQSN-IKGGRYGDSA-N 1 2 345.468 3.190 40 0 EGABLO c1ccc(N2CCc3c(COCc4cccnc4)cncc3C2)[nH+]c1 ZINC000096067375 454279041 /nfs/dbraw/zinc/27/90/41/454279041.db2.gz OCEBPUOGYLFYBR-UHFFFAOYSA-N 1 2 332.407 3.151 40 0 EGABLO c1csc(C[N@@H+]2CCO[C@@]3(CCCN(Cc4ccccn4)C3)C2)c1 ZINC000096074945 454279510 /nfs/dbraw/zinc/27/95/10/454279510.db2.gz ZJNGWVDGBZDTFY-LJQANCHMSA-N 1 2 343.496 3.010 40 0 EGABLO c1csc(C[N@H+]2CCO[C@@]3(CCCN(Cc4ccccn4)C3)C2)c1 ZINC000096074945 454279517 /nfs/dbraw/zinc/27/95/17/454279517.db2.gz ZJNGWVDGBZDTFY-LJQANCHMSA-N 1 2 343.496 3.010 40 0 EGABLO Cc1cc(N2CCC[C@H](c3nccnc3Nc3ccccn3)C2)nc[nH+]1 ZINC000072363632 454294884 /nfs/dbraw/zinc/29/48/84/454294884.db2.gz MXMQISCPKBWQNP-HNNXBMFYSA-N 1 2 347.426 3.098 40 0 EGABLO Cc1ccc(C[N@H+](Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000078708626 454303234 /nfs/dbraw/zinc/30/32/34/454303234.db2.gz DURZQJKQJZUHLW-IBGZPJMESA-N 1 2 329.465 3.184 40 0 EGABLO Cc1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000078708626 454303239 /nfs/dbraw/zinc/30/32/39/454303239.db2.gz DURZQJKQJZUHLW-IBGZPJMESA-N 1 2 329.465 3.184 40 0 EGABLO CC(C)Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)o1 ZINC000096436938 454347955 /nfs/dbraw/zinc/34/79/55/454347955.db2.gz NDUMRSMUALKKKU-NWDGAFQWSA-N 1 2 344.415 3.011 40 0 EGABLO CC(C)(CNC(=O)C1CC[NH+](CC(F)F)CC1)c1ccc(F)cc1 ZINC000252498875 455815620 /nfs/dbraw/zinc/81/56/20/455815620.db2.gz ROPYHCDGWINGKO-UHFFFAOYSA-N 1 2 342.405 3.197 40 0 EGABLO CC[N@H+](CC(=O)[O-])C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000186692105 455821486 /nfs/dbraw/zinc/82/14/86/455821486.db2.gz OHRZSRPHBYEBGN-UHFFFAOYSA-N 1 2 344.377 3.076 40 0 EGABLO CC[N@@H+](CC(=O)[O-])C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000186692105 455821490 /nfs/dbraw/zinc/82/14/90/455821490.db2.gz OHRZSRPHBYEBGN-UHFFFAOYSA-N 1 2 344.377 3.076 40 0 EGABLO COCc1noc(C[N@@H+]2C[C@@H](C)CC[C@H]2c2ccccc2OC)n1 ZINC000253417491 455841920 /nfs/dbraw/zinc/84/19/20/455841920.db2.gz WMWBEAPQEUZFJO-ZFWWWQNUSA-N 1 2 331.416 3.198 40 0 EGABLO COCc1noc(C[N@H+]2C[C@@H](C)CC[C@H]2c2ccccc2OC)n1 ZINC000253417491 455841924 /nfs/dbraw/zinc/84/19/24/455841924.db2.gz WMWBEAPQEUZFJO-ZFWWWQNUSA-N 1 2 331.416 3.198 40 0 EGABLO CN(C(=O)CCc1cccs1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257319741 455890762 /nfs/dbraw/zinc/89/07/62/455890762.db2.gz VTXJOLDJPAGSCJ-HNNXBMFYSA-N 1 2 329.469 3.203 40 0 EGABLO Fc1ccc(Oc2cncc([C@H]3CCCN3Cc3[nH]cc[nH+]3)n2)cc1 ZINC000257331791 455894709 /nfs/dbraw/zinc/89/47/09/455894709.db2.gz XUGSCSNKPXYUNK-MRXNPFEDSA-N 1 2 339.374 3.468 40 0 EGABLO Cn1cccc1[C@H]1CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000225554982 456092329 /nfs/dbraw/zinc/09/23/29/456092329.db2.gz BEKGVJFGGAXGCI-HXUWFJFHSA-N 1 2 348.450 3.176 40 0 EGABLO O=C(c1conc1C1CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225559454 456093502 /nfs/dbraw/zinc/09/35/02/456093502.db2.gz TVKGRPSQIQLDTL-QPJJXVBHSA-N 1 2 337.423 3.023 40 0 EGABLO CN(c1[nH+]cnc2c1cnn2C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000329429304 456888850 /nfs/dbraw/zinc/88/88/50/456888850.db2.gz GZUZXLLQTVYDTP-HZPDHXFCSA-N 1 2 337.427 3.046 40 0 EGABLO Cc1ccc2[nH]c(C[C@H]3C[N@H+](CC(C)C)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288618 458798212 /nfs/dbraw/zinc/79/82/12/458798212.db2.gz JFGZRSWEMJNYIA-HOTGVXAUSA-N 1 2 343.471 3.483 40 0 biogenic,in-vitro EGABLO Cc1ccc2[nH]c(C[C@H]3C[N@@H+](CC(C)C)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288618 458798220 /nfs/dbraw/zinc/79/82/20/458798220.db2.gz JFGZRSWEMJNYIA-HOTGVXAUSA-N 1 2 343.471 3.483 40 0 biogenic,in-vitro EGABLO CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2ccccn2)[nH+]1 ZINC000585182383 459831297 /nfs/dbraw/zinc/83/12/97/459831297.db2.gz BJILRQDRPFNESK-QGZVFWFLSA-N 1 2 338.455 3.170 40 0 EGABLO CCc1[nH+]ccn1-c1ccc(C(=O)N[C@H]2CCc3ccccc32)cn1 ZINC000585182373 459831593 /nfs/dbraw/zinc/83/15/93/459831593.db2.gz XBAMQGSKGHQAIP-KRWDZBQOSA-N 1 2 332.407 3.247 40 0 EGABLO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000198387628 534858569 /nfs/dbraw/zinc/85/85/69/534858569.db2.gz XZJQZYJEDFSJBJ-CQSZACIVSA-N 1 2 325.412 3.096 40 0 EGABLO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000198387628 534858573 /nfs/dbraw/zinc/85/85/73/534858573.db2.gz XZJQZYJEDFSJBJ-CQSZACIVSA-N 1 2 325.412 3.096 40 0 EGABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccc[nH]1 ZINC000004601742 210230463 /nfs/dbraw/zinc/23/04/63/210230463.db2.gz ISQWBFMYIKPPNA-UHFFFAOYSA-N 1 2 335.392 3.119 40 0 EGABLO Cc1ccc(C[NH2+]C2(Cc3cc(-c4ccc(F)cc4)on3)COC2)o1 ZINC000067897880 215245192 /nfs/dbraw/zinc/24/51/92/215245192.db2.gz CWGGIJHYTIKLQR-UHFFFAOYSA-N 1 2 342.370 3.483 40 0 biogenic,in-vitro EGABLO FC(F)(F)c1ccc(NC(=S)NCCCn2cc[nH+]c2)cc1 ZINC000035899737 213051966 /nfs/dbraw/zinc/05/19/66/213051966.db2.gz LPGYAPMVEGYUIW-UHFFFAOYSA-N 1 2 328.363 3.279 40 0 EGABLO Cc1nc(Nc2nccs2)cc([C@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000072360412 216167488 /nfs/dbraw/zinc/16/74/88/216167488.db2.gz IRTTUWSIDGVYHY-CYBMUJFWSA-N 1 2 341.444 3.045 40 0 EGABLO Cc1ccc(C2=NO[C@@H]3C[N@@H+](Cc4cnc(C(C)C)nc4)C[C@@H]23)cc1 ZINC000072343268 216159084 /nfs/dbraw/zinc/15/90/84/216159084.db2.gz KBKQYYDTNQQARW-QZTJIDSGSA-N 1 2 336.439 3.143 40 0 EGABLO Cc1ccc(C2=NO[C@@H]3C[N@H+](Cc4cnc(C(C)C)nc4)C[C@@H]23)cc1 ZINC000072343268 216159088 /nfs/dbraw/zinc/15/90/88/216159088.db2.gz KBKQYYDTNQQARW-QZTJIDSGSA-N 1 2 336.439 3.143 40 0 EGABLO Fc1ccccc1Oc1cncc([C@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000072384351 216185420 /nfs/dbraw/zinc/18/54/20/216185420.db2.gz XKWVRKVQWHATLD-OAHLLOKOSA-N 1 2 339.374 3.468 40 0 EGABLO C[C@@H](C(=O)NCc1cc(Cl)ccc1OC(F)F)n1cc[nH+]c1 ZINC000073363688 216381519 /nfs/dbraw/zinc/38/15/19/216381519.db2.gz VZUGXPSFVQGLMH-VIFPVBQESA-N 1 2 329.734 3.015 40 0 EGABLO Cc1ccc(C)c(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000023441380 212378006 /nfs/dbraw/zinc/37/80/06/212378006.db2.gz MUNLYIQMOCUMJN-UHFFFAOYSA-N 1 2 326.415 3.401 40 0 EGABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000226261811 242092907 /nfs/dbraw/zinc/09/29/07/242092907.db2.gz YWKHGBVPPMYILC-UHFFFAOYSA-N 1 2 343.427 3.385 40 0 EGABLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000253630129 244040919 /nfs/dbraw/zinc/04/09/19/244040919.db2.gz JZMHTWJOJKHDSC-OAHLLOKOSA-N 1 2 329.419 3.288 40 0 EGABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257224052 244194992 /nfs/dbraw/zinc/19/49/92/244194992.db2.gz FACJRXXSNIPMOV-MRXNPFEDSA-N 1 2 349.442 3.374 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)c3cn4cc(C)ccc4n3)C2)cc[nH+]1 ZINC000257240790 244240931 /nfs/dbraw/zinc/24/09/31/244240931.db2.gz HVFUPXWMJRDOOL-INIZCTEOSA-N 1 2 349.438 3.099 40 0 EGABLO COc1ccccc1NC(=O)[C@@]1(C)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257256242 244282362 /nfs/dbraw/zinc/28/23/62/244282362.db2.gz KKQHZLDOONIGJN-IBGZPJMESA-N 1 2 340.427 3.039 40 0 EGABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](Cc2ccccn2)C1 ZINC000257264625 244359584 /nfs/dbraw/zinc/35/95/84/244359584.db2.gz LVIPIZQKBYVRDP-KRWDZBQOSA-N 1 2 348.450 3.221 40 0 EGABLO CCn1nc(C2CC2)cc1C(=O)N1CCC[C@H]1c1cc[nH+]c(NC)c1 ZINC000257260435 244347125 /nfs/dbraw/zinc/34/71/25/244347125.db2.gz LCVIPWQOLDQIFV-INIZCTEOSA-N 1 2 339.443 3.194 40 0 EGABLO c1csc(N2CC[NH+](Cc3cnn(C4CCCCC4)c3)CC2)n1 ZINC000019658053 212054433 /nfs/dbraw/zinc/05/44/33/212054433.db2.gz WGBFYEARVMVMPX-UHFFFAOYSA-N 1 2 331.489 3.167 40 0 EGABLO c1cc(C[N@@H+]2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)cs1 ZINC000019374380 212024490 /nfs/dbraw/zinc/02/44/90/212024490.db2.gz MXPJJCQXNHIGQH-OAHLLOKOSA-N 1 2 327.409 3.372 40 0 EGABLO c1cc(C[N@H+]2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)cs1 ZINC000019374380 212024492 /nfs/dbraw/zinc/02/44/92/212024492.db2.gz MXPJJCQXNHIGQH-OAHLLOKOSA-N 1 2 327.409 3.372 40 0 EGABLO C[C@@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CCCc2ccccc21 ZINC000079336440 217210964 /nfs/dbraw/zinc/21/09/64/217210964.db2.gz WSYDZGUDGLVFIY-OAQYLSRUSA-N 1 2 346.434 3.178 40 0 EGABLO Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@@H](C)n3cc[nH+]c3)cc2)n1 ZINC000081741506 217440114 /nfs/dbraw/zinc/44/01/14/217440114.db2.gz MONIBUOPDRBWHB-HZPDHXFCSA-N 1 2 337.427 3.124 40 0 EGABLO COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)c2[nH+]ccn2C)cc1 ZINC000012114925 211294413 /nfs/dbraw/zinc/29/44/13/211294413.db2.gz OPTVDUIAYSAEQX-HNAYVOBHSA-N 1 2 349.434 3.438 40 0 EGABLO Cc1ccc2[nH]c([C@@H]3CCCN(c4nccn(C5CC5)c4=O)C3)[nH+]c2c1 ZINC000097373508 219017476 /nfs/dbraw/zinc/01/74/76/219017476.db2.gz YEBFCYBGTGHYHP-CQSZACIVSA-N 1 2 349.438 3.147 40 0 EGABLO COc1cc(C)c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000186755272 533583046 /nfs/dbraw/zinc/58/30/46/533583046.db2.gz JQNUSOCLTGZYBM-UHFFFAOYSA-N 1 2 332.379 3.208 40 0 EGABLO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000057406235 132200536 /nfs/dbraw/zinc/20/05/36/132200536.db2.gz PZOGNLKLWGNPRM-HNNXBMFYSA-N 1 2 343.858 3.489 40 0 EGABLO C[C@@H]1CCN(C(=O)Nc2cccc(OCCF)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123149713 222224683 /nfs/dbraw/zinc/22/46/83/222224683.db2.gz IRKHFQURCCYDAG-PBHICJAKSA-N 1 2 346.406 3.346 40 0 EGABLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000180847564 455255285 /nfs/dbraw/zinc/25/52/85/455255285.db2.gz ZVKMZVYRPYPLMF-SCLBCKFNSA-N 1 2 348.878 3.096 40 0 EGABLO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016035459 453592036 /nfs/dbraw/zinc/59/20/36/453592036.db2.gz LKESYTWSCKOIMC-AXFHLTTASA-N 1 2 331.243 3.430 40 0 EGABLO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016035459 453592038 /nfs/dbraw/zinc/59/20/38/453592038.db2.gz LKESYTWSCKOIMC-AXFHLTTASA-N 1 2 331.243 3.430 40 0 EGABLO O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCCc2ccccc21 ZINC000020110231 453662027 /nfs/dbraw/zinc/66/20/27/453662027.db2.gz LILBXXYLQMJZEF-UHFFFAOYSA-N 1 2 336.435 3.112 40 0 EGABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC(c2ccccc2)CC1 ZINC000025576344 453778679 /nfs/dbraw/zinc/77/86/79/453778679.db2.gz BIIQUFLERZDYKH-UHFFFAOYSA-N 1 2 332.407 3.287 40 0 EGABLO CCn1cc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c(C(C)C)n1 ZINC000076966076 454054012 /nfs/dbraw/zinc/05/40/12/454054012.db2.gz BWDYOMKPWYFHGJ-UHFFFAOYSA-N 1 2 344.459 3.319 40 0 EGABLO COC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000057303766 454119118 /nfs/dbraw/zinc/11/91/18/454119118.db2.gz YGIDBAPKQVXMSD-IBGZPJMESA-N 1 2 343.423 3.358 40 0 EGABLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000057303766 454119123 /nfs/dbraw/zinc/11/91/23/454119123.db2.gz YGIDBAPKQVXMSD-IBGZPJMESA-N 1 2 343.423 3.358 40 0 EGABLO Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044852674 454122560 /nfs/dbraw/zinc/12/25/60/454122560.db2.gz JGYHEJIRYLDTCS-QGZVFWFLSA-N 1 2 349.434 3.437 40 0 EGABLO COc1ccccc1CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044906722 454125984 /nfs/dbraw/zinc/12/59/84/454125984.db2.gz UPNJRBSPCQOZEA-UHFFFAOYSA-N 1 2 349.434 3.303 40 0 EGABLO CCOc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044912699 454126666 /nfs/dbraw/zinc/12/66/66/454126666.db2.gz QOOFMTNMDQRTMO-UHFFFAOYSA-N 1 2 335.407 3.260 40 0 EGABLO COC[C@H]1C[N@H+](Cc2ccc(C)s2)Cc2ncn(CC3CC3)c21 ZINC000096045053 454268561 /nfs/dbraw/zinc/26/85/61/454268561.db2.gz CKSUMHROHDIVSZ-OAHLLOKOSA-N 1 2 331.485 3.409 40 0 EGABLO COC[C@H]1C[N@@H+](Cc2ccc(C)s2)Cc2ncn(CC3CC3)c21 ZINC000096045053 454268563 /nfs/dbraw/zinc/26/85/63/454268563.db2.gz CKSUMHROHDIVSZ-OAHLLOKOSA-N 1 2 331.485 3.409 40 0 EGABLO Fc1cccc(N2CCC[C@]3(C2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC000096049072 454270955 /nfs/dbraw/zinc/27/09/55/454270955.db2.gz SMPZJKGHRYHJGS-LJQANCHMSA-N 1 2 330.403 3.290 40 0 EGABLO Fc1cccc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC000096049072 454270961 /nfs/dbraw/zinc/27/09/61/454270961.db2.gz SMPZJKGHRYHJGS-LJQANCHMSA-N 1 2 330.403 3.290 40 0 EGABLO CCOC[C@H]1C[N@H+](Cc2cccs2)Cc2nn(CC3CC3)cc21 ZINC000096060469 454277211 /nfs/dbraw/zinc/27/72/11/454277211.db2.gz ANCCLCJVCKZQNZ-OAHLLOKOSA-N 1 2 331.485 3.491 40 0 EGABLO CCOC[C@H]1C[N@@H+](Cc2cccs2)Cc2nn(CC3CC3)cc21 ZINC000096060469 454277214 /nfs/dbraw/zinc/27/72/14/454277214.db2.gz ANCCLCJVCKZQNZ-OAHLLOKOSA-N 1 2 331.485 3.491 40 0 EGABLO C[N@@H+]1CCN(C(=O)CCC(=O)c2cccs2)[C@H](c2ccccc2)C1 ZINC000046763149 454282576 /nfs/dbraw/zinc/28/25/76/454282576.db2.gz RSAHGNNXZRBNDQ-INIZCTEOSA-N 1 2 342.464 3.226 40 0 EGABLO C[N@H+]1CCN(C(=O)CCC(=O)c2cccs2)[C@H](c2ccccc2)C1 ZINC000046763149 454282582 /nfs/dbraw/zinc/28/25/82/454282582.db2.gz RSAHGNNXZRBNDQ-INIZCTEOSA-N 1 2 342.464 3.226 40 0 EGABLO O=C(NC1CCCCC1)N1CC[C@@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216822 454307717 /nfs/dbraw/zinc/30/77/17/454307717.db2.gz BVFBNRHVJGYSKZ-FQEVSTJZSA-N 1 2 342.487 3.416 40 0 EGABLO Cc1ccc(N2CCCC2)c(C(=O)NCCc2[nH+]ccn2C(F)F)c1 ZINC000096408417 454326372 /nfs/dbraw/zinc/32/63/72/454326372.db2.gz YGRPCHKTZVTIEX-UHFFFAOYSA-N 1 2 348.397 3.159 40 0 EGABLO CCc1ccc(C[NH+]2CCN(C(=O)CCc3cscn3)CC2)s1 ZINC000096414533 454331075 /nfs/dbraw/zinc/33/10/75/454331075.db2.gz HHDABZBJEQEVNI-UHFFFAOYSA-N 1 2 349.525 3.044 40 0 EGABLO CC(=O)c1cccc(NC(=O)NCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000096433686 454344482 /nfs/dbraw/zinc/34/44/82/454344482.db2.gz XEZJCZAQXVAQKP-UHFFFAOYSA-N 1 2 348.406 3.456 40 0 EGABLO C[C@@H](NC(=O)C1CCC1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000078994896 454351529 /nfs/dbraw/zinc/35/15/29/454351529.db2.gz GOZCMTOWZVZNLW-CYBMUJFWSA-N 1 2 339.395 3.117 40 0 EGABLO O=C(NCc1[nH+]ccn1CCc1ccccc1)[C@@H]1C[C@@H]1c1ccco1 ZINC000096459353 454358589 /nfs/dbraw/zinc/35/85/89/454358589.db2.gz JHFIILUQWSRPPO-DLBZAZTESA-N 1 2 335.407 3.139 40 0 EGABLO O=C(c1ccccc1Br)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000062128770 454368543 /nfs/dbraw/zinc/36/85/43/454368543.db2.gz BMFLIKYYLOJKAI-UHFFFAOYSA-N 1 2 348.244 3.198 40 0 EGABLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3nnc(C(C)C)o3)ccc2NC1=O ZINC000096492085 454369919 /nfs/dbraw/zinc/36/99/19/454369919.db2.gz TVPQYJAHYCENHX-FZMZJTMJSA-N 1 2 344.415 3.153 40 0 EGABLO C[C@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)Cc1cccs1 ZINC000074628902 454611917 /nfs/dbraw/zinc/61/19/17/454611917.db2.gz HOALZYOKNQGGRY-KBPBESRZSA-N 1 2 332.473 3.239 40 0 EGABLO Cc1ccoc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000126904919 454925516 /nfs/dbraw/zinc/92/55/16/454925516.db2.gz WZLNHYWQVHQCNZ-HOTGVXAUSA-N 1 2 348.830 3.043 40 0 EGABLO Cc1ccoc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000126904919 454925521 /nfs/dbraw/zinc/92/55/21/454925521.db2.gz WZLNHYWQVHQCNZ-HOTGVXAUSA-N 1 2 348.830 3.043 40 0 EGABLO CCC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1C)C(=O)N1CCc2sccc2C1 ZINC000180407214 455164880 /nfs/dbraw/zinc/16/48/80/455164880.db2.gz BCMQNJNIUNOMKN-BLLLJJGKSA-N 1 2 346.500 3.184 40 0 EGABLO O=C(Nc1cccc(OCCF)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000253420777 455844114 /nfs/dbraw/zinc/84/41/14/455844114.db2.gz LRZUAJMRZCFLJC-UHFFFAOYSA-N 1 2 332.379 3.170 40 0 EGABLO O=C(Nc1cccc(OCCF)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000253420777 455844120 /nfs/dbraw/zinc/84/41/20/455844120.db2.gz LRZUAJMRZCFLJC-UHFFFAOYSA-N 1 2 332.379 3.170 40 0 EGABLO Cc1ccc(-c2ccc(C(=O)NCCCn3cc[nH+]c3)c(C)n2)cc1 ZINC000257173315 455880717 /nfs/dbraw/zinc/88/07/17/455880717.db2.gz JOTQXBTWLWSCFM-UHFFFAOYSA-N 1 2 334.423 3.382 40 0 EGABLO Cc1c[nH+]c2n1C[C@@H](c1ccccc1)N(C(=O)CCc1cccnc1)C2 ZINC000257283071 455882018 /nfs/dbraw/zinc/88/20/18/455882018.db2.gz OWQWWOYNCYTCRF-IBGZPJMESA-N 1 2 346.434 3.303 40 0 EGABLO Cc1nc(C)c(C(=O)N2Cc3[nH+]ccn3C[C@H]2c2ccccc2)s1 ZINC000257287607 455882697 /nfs/dbraw/zinc/88/26/97/455882697.db2.gz PQRQWTCFJYFZFD-HNNXBMFYSA-N 1 2 338.436 3.354 40 0 EGABLO COc1cccc(CC(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)c1 ZINC000257295869 455885246 /nfs/dbraw/zinc/88/52/46/455885246.db2.gz RAFLJMHMFZLGTQ-GOSISDBHSA-N 1 2 339.439 3.062 40 0 EGABLO c1nc(C[N@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cs1 ZINC000257298178 455885303 /nfs/dbraw/zinc/88/53/03/455885303.db2.gz RKNBCGSRNNOKJU-OALUTQOASA-N 1 2 344.480 3.483 40 0 EGABLO c1nc(C[N@@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cs1 ZINC000257298178 455885306 /nfs/dbraw/zinc/88/53/06/455885306.db2.gz RKNBCGSRNNOKJU-OALUTQOASA-N 1 2 344.480 3.483 40 0 EGABLO CNc1cc([C@H]2CCCN2C(=O)CCn2ncc3ccccc32)cc[nH+]1 ZINC000257296096 455885454 /nfs/dbraw/zinc/88/54/54/455885454.db2.gz RBFAZTBUUZAJPC-QGZVFWFLSA-N 1 2 349.438 3.227 40 0 EGABLO CC(C)n1ccnc1C[N@@H+]1CCC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585269533 459832607 /nfs/dbraw/zinc/83/26/07/459832607.db2.gz YDYPDHVWIIEQDU-IBGZPJMESA-N 1 2 347.434 3.009 40 0 EGABLO CC(C)n1ccnc1C[N@H+]1CCC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585269533 459832611 /nfs/dbraw/zinc/83/26/11/459832611.db2.gz YDYPDHVWIIEQDU-IBGZPJMESA-N 1 2 347.434 3.009 40 0 EGABLO CCCCOc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c(O)c1 ZINC000190237911 528659111 /nfs/dbraw/zinc/65/91/11/528659111.db2.gz POXYARFSIKGLIT-UHFFFAOYSA-N 1 2 343.427 3.245 40 0 EGABLO Cc1cccc2c(CC(=O)N3CCN(c4c[nH+]ccc4C)CC3)c[nH]c21 ZINC000684944872 550387100 /nfs/dbraw/zinc/38/71/00/550387100.db2.gz AOZXYXAPLADPDA-UHFFFAOYSA-N 1 2 348.450 3.071 40 0 EGABLO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 ZINC000028240775 1291304107 /nfs/dbraw/zinc/30/41/07/1291304107.db2.gz IOGABNISHZZDAL-UHFFFAOYSA-N 1 2 333.351 3.416 40 0 EGABLO O=C(N[C@H]1CCC[C@H]1n1cc[nH+]c1)c1ccc(Br)cc1 ZINC000037501835 213151082 /nfs/dbraw/zinc/15/10/82/213151082.db2.gz HOYPFUBRCWHMSP-UONOGXRCSA-N 1 2 334.217 3.169 40 0 EGABLO c1c[nH]c(C[N@@H+]2CCC[C@H](c3nccnc3Oc3ccccc3)C2)n1 ZINC000072362983 216169740 /nfs/dbraw/zinc/16/97/40/216169740.db2.gz OUCHQMWZKNHJLT-HNNXBMFYSA-N 1 2 335.411 3.372 40 0 EGABLO c1c[nH]c(C[N@H+]2CCC[C@H](c3nccnc3Oc3ccccc3)C2)n1 ZINC000072362983 216169742 /nfs/dbraw/zinc/16/97/42/216169742.db2.gz OUCHQMWZKNHJLT-HNNXBMFYSA-N 1 2 335.411 3.372 40 0 EGABLO c1c[nH+]c(CN2CCC[C@H](c3nccnc3Oc3ccccc3)C2)[nH]1 ZINC000072362983 216169744 /nfs/dbraw/zinc/16/97/44/216169744.db2.gz OUCHQMWZKNHJLT-HNNXBMFYSA-N 1 2 335.411 3.372 40 0 EGABLO Cc1cc(N)nc(SCc2nc(-c3ccc(Cl)cc3)no2)[nH+]1 ZINC000022090659 212277150 /nfs/dbraw/zinc/27/71/50/212277150.db2.gz KMSGAOVDMZJWEY-UHFFFAOYSA-N 1 2 333.804 3.363 40 0 EGABLO CCS(=O)(=O)c1ccc(NCCn2c(C)[nH+]c3ccccc32)cc1 ZINC000195576071 241022302 /nfs/dbraw/zinc/02/23/02/241022302.db2.gz COXOUYJUUDFRGG-UHFFFAOYSA-N 1 2 343.452 3.250 40 0 EGABLO COc1cccc(C(=O)Nc2cc([NH+]3CCCC3)c(C)cc2N)c1 ZINC000226331240 242098820 /nfs/dbraw/zinc/09/88/20/242098820.db2.gz ISICTBPLJVQPLN-UHFFFAOYSA-N 1 2 325.412 3.438 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)c3sc(C)nc3C)C2)cc[nH+]1 ZINC000257216581 244171706 /nfs/dbraw/zinc/17/17/06/244171706.db2.gz CVDMQFAIQPSMNP-AWEZNQCLSA-N 1 2 330.457 3.216 40 0 EGABLO COc1ccc2cc(CN3CCOC[C@H]3c3[nH]cc(C)[nH+]3)ccc2c1 ZINC000257210619 244151113 /nfs/dbraw/zinc/15/11/13/244151113.db2.gz BVLMTIVWFPDCKK-IBGZPJMESA-N 1 2 337.423 3.453 40 0 EGABLO C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020107396 212101470 /nfs/dbraw/zinc/10/14/70/212101470.db2.gz MINBHFTXMQFUAK-CQSZACIVSA-N 1 2 339.370 3.095 40 0 EGABLO CC(C)[C@H](c1nnnn1Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000020098275 212100155 /nfs/dbraw/zinc/10/01/55/212100155.db2.gz XIEXQVKTDOYKIF-HXUWFJFHSA-N 1 2 347.466 3.477 40 0 EGABLO CC(C)[C@H](c1nnnn1Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000020098275 212100156 /nfs/dbraw/zinc/10/01/56/212100156.db2.gz XIEXQVKTDOYKIF-HXUWFJFHSA-N 1 2 347.466 3.477 40 0 EGABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3c(C)onc3C(C)C)C2)[nH+]1 ZINC000257271492 244379326 /nfs/dbraw/zinc/37/93/26/244379326.db2.gz MYOIUYNHLNSXNQ-CQSZACIVSA-N 1 2 330.432 3.168 40 0 EGABLO Cc1cc(CC2CCN(C(=O)c3cc(C)c(C)[nH]c3=O)CC2)cc[nH+]1 ZINC000257269522 244374624 /nfs/dbraw/zinc/37/46/24/244374624.db2.gz MQIVXADNFGOHHY-UHFFFAOYSA-N 1 2 339.439 3.202 40 0 EGABLO Cc1nc2cc(C(=O)N3CCC[C@@H]3c3cc[nH+]c(N(C)C)c3)ccc2[nH]1 ZINC000257295632 244447937 /nfs/dbraw/zinc/44/79/37/244447937.db2.gz QZFCQOVXPUWEAP-GOSISDBHSA-N 1 2 349.438 3.310 40 0 EGABLO C[C@H](CC(=O)N1CCC(c2cc3cccnc3[nH]2)CC1)n1cc[nH+]c1 ZINC000019455134 212030154 /nfs/dbraw/zinc/03/01/54/212030154.db2.gz RLWKCXPAMIMAHA-CQSZACIVSA-N 1 2 337.427 3.117 40 0 EGABLO Fc1ccc(C[N@@H+]2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000019374358 212024279 /nfs/dbraw/zinc/02/42/79/212024279.db2.gz UKHVBSQNOOGQIQ-QGZVFWFLSA-N 1 2 339.370 3.449 40 0 EGABLO Fc1ccc(C[N@H+]2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000019374358 212024281 /nfs/dbraw/zinc/02/42/81/212024281.db2.gz UKHVBSQNOOGQIQ-QGZVFWFLSA-N 1 2 339.370 3.449 40 0 EGABLO Cc1csc2c([C@@H]3CCCN(C(=O)c4ccncc4)C3)[nH+]c(C)n12 ZINC000019240444 212009036 /nfs/dbraw/zinc/00/90/36/212009036.db2.gz ZNJRFJQQVYUSRS-OAHLLOKOSA-N 1 2 340.452 3.427 40 0 EGABLO Cc1ccc(C2=CC[N@H+](CC(=O)Nc3nc(C)c(C)s3)CC2)o1 ZINC000012114549 211294527 /nfs/dbraw/zinc/29/45/27/211294527.db2.gz KZGXZMYDNNJNNS-UHFFFAOYSA-N 1 2 331.441 3.389 40 0 EGABLO Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3nc(C)c(C)s3)CC2)o1 ZINC000012114549 211294532 /nfs/dbraw/zinc/29/45/32/211294532.db2.gz KZGXZMYDNNJNNS-UHFFFAOYSA-N 1 2 331.441 3.389 40 0 EGABLO C[C@@H](Sc1[nH+]cnc2c1cnn2C)C(=O)c1ccc2c(c1)CCC2 ZINC000011683307 211234200 /nfs/dbraw/zinc/23/42/00/211234200.db2.gz FQMGTGHLUNZPAK-LLVKDONJSA-N 1 2 338.436 3.216 40 0 EGABLO Cc1ccc2[nH]c([C@H]3CCCN(c4nccn(C5CC5)c4=O)C3)[nH+]c2c1 ZINC000097373509 219017423 /nfs/dbraw/zinc/01/74/23/219017423.db2.gz YEBFCYBGTGHYHP-AWEZNQCLSA-N 1 2 349.438 3.147 40 0 EGABLO CCN(C[C@H]1CCOC1)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000079034374 257835255 /nfs/dbraw/zinc/83/52/55/257835255.db2.gz FXZNOEOJZSUTTB-OAHLLOKOSA-N 1 2 326.396 3.373 40 0 EGABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2Cc2cscn2)cc1 ZINC000257215433 277936252 /nfs/dbraw/zinc/93/62/52/277936252.db2.gz CQCCOEHZQSNYJE-MRXNPFEDSA-N 1 2 326.425 3.105 40 0 EGABLO CC(C)c1ccc(NC(=O)[C@H]2c3c(ncn3C)CC[N@H+]2C(C)C)cc1 ZINC000096264936 278041776 /nfs/dbraw/zinc/04/17/76/278041776.db2.gz AEPPJCMRVRKFNK-LJQANCHMSA-N 1 2 340.471 3.490 40 0 EGABLO CC(C)c1ccc(NC(=O)[C@H]2c3c(ncn3C)CC[N@@H+]2C(C)C)cc1 ZINC000096264936 278041778 /nfs/dbraw/zinc/04/17/78/278041778.db2.gz AEPPJCMRVRKFNK-LJQANCHMSA-N 1 2 340.471 3.490 40 0 EGABLO CC(C)c1ccc(NC(=O)[C@H]2c3c([nH+]cn3C)CCN2C(C)C)cc1 ZINC000096264936 278041781 /nfs/dbraw/zinc/04/17/81/278041781.db2.gz AEPPJCMRVRKFNK-LJQANCHMSA-N 1 2 340.471 3.490 40 0 EGABLO Cc1[nH]c2ccc(C(=O)N3CCN(c4c[nH+]ccc4C)CC3)cc2c1C ZINC000328769664 308774036 /nfs/dbraw/zinc/77/40/36/308774036.db2.gz GLSCFKUJBSNWCR-UHFFFAOYSA-N 1 2 348.450 3.451 40 0 EGABLO FC(F)n1ccnc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183147889 455238932 /nfs/dbraw/zinc/23/89/32/455238932.db2.gz CFDQTFKLCSYZMB-UHFFFAOYSA-N 1 2 349.307 3.331 40 0 EGABLO Cc1c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cccc1N(C)C ZINC000241588460 455268727 /nfs/dbraw/zinc/26/87/27/455268727.db2.gz PDKFHEKVAFMJNI-UHFFFAOYSA-N 1 2 327.432 3.196 40 0 EGABLO Cc1c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cccc1N(C)C ZINC000241588460 455268733 /nfs/dbraw/zinc/26/87/33/455268733.db2.gz PDKFHEKVAFMJNI-UHFFFAOYSA-N 1 2 327.432 3.196 40 0 EGABLO Cc1ccccc1C[N@@H+]1CCc2nc3cc(C4CC4)[nH]n3c(=O)c2C1 ZINC000012666963 453390757 /nfs/dbraw/zinc/39/07/57/453390757.db2.gz KXTSDHMPUITRSY-UHFFFAOYSA-N 1 2 334.423 3.179 40 0 EGABLO Cc1ccccc1C[N@H+]1CCc2nc3cc(C4CC4)[nH]n3c(=O)c2C1 ZINC000012666963 453390767 /nfs/dbraw/zinc/39/07/67/453390767.db2.gz KXTSDHMPUITRSY-UHFFFAOYSA-N 1 2 334.423 3.179 40 0 EGABLO COc1ccccc1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000081929806 453917203 /nfs/dbraw/zinc/91/72/03/453917203.db2.gz NHBYFQYAFFKKBQ-UHFFFAOYSA-N 1 2 335.407 3.064 40 0 EGABLO O=C(Nc1cccc(Cl)c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000058223927 454172713 /nfs/dbraw/zinc/17/27/13/454172713.db2.gz SKBMMOVMARVRJI-UHFFFAOYSA-N 1 2 345.830 3.395 40 0 EGABLO COc1cccc([C@@H]([NH3+])c2nc(COc3ccc(Cl)cc3)n[nH]2)c1 ZINC000095533509 454230449 /nfs/dbraw/zinc/23/04/49/454230449.db2.gz UFNHDOXFKOYSSO-MRXNPFEDSA-N 1 2 344.802 3.094 40 0 EGABLO COc1ccc([C@@H]([NH3+])c2nc(COc3ccc(Cl)cc3)n[nH]2)cc1 ZINC000095533651 454230993 /nfs/dbraw/zinc/23/09/93/454230993.db2.gz IYDXTEPDVDZTBV-MRXNPFEDSA-N 1 2 344.802 3.094 40 0 EGABLO Cc1nc(-c2ccc(NC(=O)NCCn3cc[nH+]c3)cc2)cs1 ZINC000058879777 454239617 /nfs/dbraw/zinc/23/96/17/454239617.db2.gz XVAHNWKWDZHVRD-UHFFFAOYSA-N 1 2 327.413 3.137 40 0 EGABLO Fc1cccc(N2CCC[C@]3(C2)C[N@H+](Cc2ccccn2)CCO3)c1 ZINC000096049083 454271117 /nfs/dbraw/zinc/27/11/17/454271117.db2.gz KEPIMVDONPWTAX-HXUWFJFHSA-N 1 2 341.430 3.092 40 0 EGABLO Fc1cccc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccccn2)CCO3)c1 ZINC000096049083 454271122 /nfs/dbraw/zinc/27/11/22/454271122.db2.gz KEPIMVDONPWTAX-HXUWFJFHSA-N 1 2 341.430 3.092 40 0 EGABLO CNc1[nH+]cccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072212575 454274138 /nfs/dbraw/zinc/27/41/38/454274138.db2.gz FELCKVCPDIJICW-KRWDZBQOSA-N 1 2 345.468 3.348 40 0 EGABLO c1coc(C[N@@H+]2Cc3cn(CC4CC4)nc3[C@@H](COCC3CC3)C2)c1 ZINC000096198172 454302642 /nfs/dbraw/zinc/30/26/42/454302642.db2.gz KMBSZSFRXXNMQI-GOSISDBHSA-N 1 2 341.455 3.412 40 0 EGABLO c1coc(C[N@H+]2Cc3cn(CC4CC4)nc3[C@@H](COCC3CC3)C2)c1 ZINC000096198172 454302647 /nfs/dbraw/zinc/30/26/47/454302647.db2.gz KMBSZSFRXXNMQI-GOSISDBHSA-N 1 2 341.455 3.412 40 0 EGABLO C[C@@H]1C[C@H]1[C@H](NC(=O)NCc1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000096440535 454349959 /nfs/dbraw/zinc/34/99/59/454349959.db2.gz KEJWUGLEMWBICE-DJSGYFEHSA-N 1 2 332.835 3.270 40 0 EGABLO C[C@@H]1C[C@@H]1[C@H](NC(=O)NCc1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000096440533 454349970 /nfs/dbraw/zinc/34/99/70/454349970.db2.gz KEJWUGLEMWBICE-DIOULYMOSA-N 1 2 332.835 3.270 40 0 EGABLO CC(=O)Nc1nc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cs1 ZINC000096443328 454350481 /nfs/dbraw/zinc/35/04/81/454350481.db2.gz BOCDMQVQRHIXOU-UHFFFAOYSA-N 1 2 349.431 3.036 40 0 EGABLO CCC(=O)N1CCC[N@H+](Cc2cc(F)cc(Br)c2)CC1 ZINC000096451982 454356544 /nfs/dbraw/zinc/35/65/44/454356544.db2.gz IRTPSLSBVROWNK-UHFFFAOYSA-N 1 2 343.240 3.033 40 0 EGABLO CCC(=O)N1CCC[N@@H+](Cc2cc(F)cc(Br)c2)CC1 ZINC000096451982 454356548 /nfs/dbraw/zinc/35/65/48/454356548.db2.gz IRTPSLSBVROWNK-UHFFFAOYSA-N 1 2 343.240 3.033 40 0 EGABLO Cc1ccc2c(c1)[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)[C@@H](C)C2 ZINC000096500423 454372133 /nfs/dbraw/zinc/37/21/33/454372133.db2.gz ZKTOZMBFZZVBKE-MAUKXSAKSA-N 1 2 326.444 3.157 40 0 EGABLO Cc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)c(Br)c1 ZINC000097229699 454427509 /nfs/dbraw/zinc/42/75/09/454427509.db2.gz KDZUHHKMLJGKCZ-UHFFFAOYSA-N 1 2 344.212 3.335 40 0 EGABLO Cn1ncnc1C[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000191252825 455472329 /nfs/dbraw/zinc/47/23/29/455472329.db2.gz QNGISFFWNUZFIU-UHFFFAOYSA-N 1 2 330.741 3.266 40 0 EGABLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC000248082640 455680402 /nfs/dbraw/zinc/68/04/02/455680402.db2.gz AQWMTTLGNSDBBM-LTIDMASMSA-N 1 2 327.403 3.201 40 0 EGABLO C[N@H+](C[C@@H](O)C(F)(F)F)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000253369389 455835341 /nfs/dbraw/zinc/83/53/41/455835341.db2.gz BZINHXVZBRTDCR-HUUCEWRRSA-N 1 2 328.309 3.165 40 0 EGABLO C[N@@H+](C[C@@H](O)C(F)(F)F)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000253369389 455835343 /nfs/dbraw/zinc/83/53/43/455835343.db2.gz BZINHXVZBRTDCR-HUUCEWRRSA-N 1 2 328.309 3.165 40 0 EGABLO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000253392374 455837557 /nfs/dbraw/zinc/83/75/57/455837557.db2.gz LGSMUSJCRQMFSV-CYBMUJFWSA-N 1 2 332.473 3.332 40 0 EGABLO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000253392374 455837561 /nfs/dbraw/zinc/83/75/61/455837561.db2.gz LGSMUSJCRQMFSV-CYBMUJFWSA-N 1 2 332.473 3.332 40 0 EGABLO Cn1ccnc1C[N@@H+]1CCC[C@@H]1c1ccnc(Nc2ccccn2)c1 ZINC000257334070 455894616 /nfs/dbraw/zinc/89/46/16/455894616.db2.gz YEJUYFGAGNURJD-MRXNPFEDSA-N 1 2 334.427 3.291 40 0 EGABLO Cn1ccnc1C[N@H+]1CCC[C@@H]1c1ccnc(Nc2ccccn2)c1 ZINC000257334070 455894618 /nfs/dbraw/zinc/89/46/18/455894618.db2.gz YEJUYFGAGNURJD-MRXNPFEDSA-N 1 2 334.427 3.291 40 0 EGABLO CNc1cc([C@@H]2CCCN2C(=O)CCOc2ccccc2)cc[nH+]1 ZINC000257332278 455894623 /nfs/dbraw/zinc/89/46/23/455894623.db2.gz XWNSPZZDWFXPRT-KRWDZBQOSA-N 1 2 325.412 3.256 40 0 EGABLO CO[C@H]1C[C@H](N(C)c2[nH+]cnc3c2cnn3-c2ccccc2)C12CCC2 ZINC000578604272 459228537 /nfs/dbraw/zinc/22/85/37/459228537.db2.gz USWJGONOKOCENY-IRXDYDNUSA-N 1 2 349.438 3.209 40 0 EGABLO Cc1cc(CO)cc(N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)[nH+]1 ZINC000663751182 461788734 /nfs/dbraw/zinc/78/87/34/461788734.db2.gz YZVYISQYFGWHLT-INIZCTEOSA-N 1 2 335.411 3.009 40 0 EGABLO Cc1cc(CO)cc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)[nH+]1 ZINC000663751182 461788740 /nfs/dbraw/zinc/78/87/40/461788740.db2.gz YZVYISQYFGWHLT-INIZCTEOSA-N 1 2 335.411 3.009 40 0 EGABLO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1cccc(F)c1F ZINC000154027160 533869102 /nfs/dbraw/zinc/86/91/02/533869102.db2.gz OWCIMVWPTCTBFS-UHFFFAOYSA-N 1 2 340.395 3.136 40 0 EGABLO Cc1cc([C@H](C)C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C)o1 ZINC000096408084 525501619 /nfs/dbraw/zinc/50/16/19/525501619.db2.gz RJLOWEBCMHBQEU-HNNXBMFYSA-N 1 2 342.439 3.471 40 0 EGABLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000040434247 213304374 /nfs/dbraw/zinc/30/43/74/213304374.db2.gz DGJHYJZGPFLWAI-SNVBAGLBSA-N 1 2 331.869 3.286 40 0 EGABLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000040434247 213304377 /nfs/dbraw/zinc/30/43/77/213304377.db2.gz DGJHYJZGPFLWAI-SNVBAGLBSA-N 1 2 331.869 3.286 40 0 EGABLO Cc1cccn2cc(CNC(=O)[C@@H]3CCCc4c(O)cccc43)[nH+]c12 ZINC000190328388 238393931 /nfs/dbraw/zinc/39/39/31/238393931.db2.gz DYVKTOMBEWVPJB-QGZVFWFLSA-N 1 2 335.407 3.085 40 0 EGABLO O=C(CC1CCCCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023955468 212399851 /nfs/dbraw/zinc/39/98/51/212399851.db2.gz FWQSWCLJRNNRSI-UHFFFAOYSA-N 1 2 330.472 3.105 40 0 EGABLO Cc1ccccc1C(=O)N[C@H](C)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023180896 212357827 /nfs/dbraw/zinc/35/78/27/212357827.db2.gz XWCMJCZHEFTUTJ-CRAIPNDOSA-N 1 2 344.480 3.248 40 0 EGABLO O=C(CSCc1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000022513909 212303911 /nfs/dbraw/zinc/30/39/11/212303911.db2.gz WOJXWQUEQAJFBK-UHFFFAOYSA-N 1 2 337.448 3.422 40 0 EGABLO c1ccc([C@H](c2nc(-c3ccncc3)no2)[NH+]2CCSCC2)cc1 ZINC000193723013 240283047 /nfs/dbraw/zinc/28/30/47/240283047.db2.gz BGUOHCBSECGIQW-MRXNPFEDSA-N 1 2 338.436 3.270 40 0 EGABLO COc1cccc2cc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)oc21 ZINC000020886022 212182446 /nfs/dbraw/zinc/18/24/46/212182446.db2.gz OXFPGAUXARWFAL-UHFFFAOYSA-N 1 2 343.408 3.138 40 0 EGABLO COc1cccc2cc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)oc21 ZINC000020886022 212182450 /nfs/dbraw/zinc/18/24/50/212182450.db2.gz OXFPGAUXARWFAL-UHFFFAOYSA-N 1 2 343.408 3.138 40 0 EGABLO COc1ccc(/C=C/C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000020456937 212132204 /nfs/dbraw/zinc/13/22/04/212132204.db2.gz MZVNWEFMVUOQER-IZZDOVSWSA-N 1 2 333.391 3.211 40 0 EGABLO Cc1nc(N2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)cc[nH+]1 ZINC000257208046 244140311 /nfs/dbraw/zinc/14/03/11/244140311.db2.gz BKKXAVFYLAQKEN-OAHLLOKOSA-N 1 2 333.399 3.055 40 0 EGABLO CN(C(=O)c1cccc2cccnc21)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257215974 244167920 /nfs/dbraw/zinc/16/79/20/244167920.db2.gz CSMQLTGCBYAFRU-QGZVFWFLSA-N 1 2 346.434 3.371 40 0 EGABLO CN(C)c1cc([C@H]2CCCN2C(=O)CCc2cc(Cl)no2)cc[nH+]1 ZINC000257242597 244249081 /nfs/dbraw/zinc/24/90/81/244249081.db2.gz IDGUCEMSJFIYLT-CQSZACIVSA-N 1 2 348.834 3.085 40 0 EGABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1CCc1ccncc1 ZINC000257235579 244226228 /nfs/dbraw/zinc/22/62/28/244226228.db2.gz GYKZTHPDJXWVSV-SFHVURJKSA-N 1 2 348.450 3.364 40 0 EGABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000257236688 244229252 /nfs/dbraw/zinc/22/92/52/244229252.db2.gz HDFRFVALZQLIQS-HNNXBMFYSA-N 1 2 349.442 3.026 40 0 EGABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000257236688 244229256 /nfs/dbraw/zinc/22/92/56/244229256.db2.gz HDFRFVALZQLIQS-HNNXBMFYSA-N 1 2 349.442 3.026 40 0 EGABLO Cc1noc(C)c1C(=O)N1CCC[C@H](c2[nH+]c(C)n3ccsc23)C1 ZINC000019579938 212046719 /nfs/dbraw/zinc/04/67/19/212046719.db2.gz BENMFSQYLRJTLE-ZDUSSCGKSA-N 1 2 344.440 3.329 40 0 EGABLO CC(C)Oc1ccc(-c2csc(NC(=O)Cn3cc[nH+]c3)n2)cc1 ZINC000019450728 212029013 /nfs/dbraw/zinc/02/90/13/212029013.db2.gz GUYTUOWDPPNOMB-UHFFFAOYSA-N 1 2 342.424 3.433 40 0 EGABLO CCC(CC)c1cc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)on1 ZINC000080463903 217306752 /nfs/dbraw/zinc/30/67/52/217306752.db2.gz PMHKXZNKOXHWEF-CQSZACIVSA-N 1 2 345.447 3.391 40 0 EGABLO Cc1nc2cc(-c3ccco3)nn2c(NCCCn2cc[nH+]c2)c1C ZINC000012221465 211323510 /nfs/dbraw/zinc/32/35/10/211323510.db2.gz UAZYVCBHOADTLP-UHFFFAOYSA-N 1 2 336.399 3.305 40 0 EGABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC2CCCC2)CC1 ZINC000012116366 211296732 /nfs/dbraw/zinc/29/67/32/211296732.db2.gz LNHFDEBWPXPCQL-UHFFFAOYSA-N 1 2 340.471 3.331 40 0 EGABLO CCCc1[nH+]c2cc(NC(=O)c3cnc(SC)nc3)ccc2n1C ZINC000012116915 211296396 /nfs/dbraw/zinc/29/63/96/211296396.db2.gz YWXPZCXOXPHTHM-UHFFFAOYSA-N 1 2 341.440 3.290 40 0 EGABLO COc1ccc([C@@H](NC(=O)[C@H](C)c2ccccc2)c2[nH+]ccn2C)cc1 ZINC000012114927 211293887 /nfs/dbraw/zinc/29/38/87/211293887.db2.gz OPTVDUIAYSAEQX-DNVCBOLYSA-N 1 2 349.434 3.438 40 0 EGABLO CC(=O)c1c(C)[nH]c(C(=O)OCc2cn3cccc(C)c3[nH+]2)c1C ZINC000009685430 211114138 /nfs/dbraw/zinc/11/41/38/211114138.db2.gz WXTYRPKGOIOMJB-UHFFFAOYSA-N 1 2 325.368 3.147 40 0 EGABLO CCn1c(SC)nnc1[C@H]1CCC[N@@H+]1Cc1ccc(OC)cc1 ZINC000005001554 210356709 /nfs/dbraw/zinc/35/67/09/210356709.db2.gz OHLDQPGFJJWUPQ-OAHLLOKOSA-N 1 2 332.473 3.366 40 0 EGABLO CCn1c(SC)nnc1[C@H]1CCC[N@H+]1Cc1ccc(OC)cc1 ZINC000005001554 210356713 /nfs/dbraw/zinc/35/67/13/210356713.db2.gz OHLDQPGFJJWUPQ-OAHLLOKOSA-N 1 2 332.473 3.366 40 0 EGABLO Cc1cc(C)c(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000055124226 132193830 /nfs/dbraw/zinc/19/38/30/132193830.db2.gz ZKQZMBQRQIIOBE-UHFFFAOYSA-N 1 2 337.467 3.373 40 0 EGABLO CCC(C)(C)n1nnnc1[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000005642449 282038871 /nfs/dbraw/zinc/03/88/71/282038871.db2.gz KIKRQLRYJQSANT-GDBMZVCRSA-N 1 2 328.464 3.035 40 0 EGABLO CCC(C)(C)n1nnnc1[C@@H](c1cccnc1)[N@H+]1CCC[C@@H](C)C1 ZINC000005642449 282038872 /nfs/dbraw/zinc/03/88/72/282038872.db2.gz KIKRQLRYJQSANT-GDBMZVCRSA-N 1 2 328.464 3.035 40 0 EGABLO O=C(C[NH+]1CCC(O)CC1)N1c2ccccc2C=Cc2ccccc21 ZINC000000271542 452553008 /nfs/dbraw/zinc/55/30/08/452553008.db2.gz OTBQKKABNYHOOG-UHFFFAOYSA-N 1 2 334.419 3.292 40 0 EGABLO C[C@@H](C[N@H+](C)Cc1ncnn1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190361077 455302650 /nfs/dbraw/zinc/30/26/50/455302650.db2.gz RSGQWUYBTRWECG-JTQLQIEISA-N 1 2 329.231 3.021 40 0 EGABLO C[C@@H](C[N@@H+](C)Cc1ncnn1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190361077 455302654 /nfs/dbraw/zinc/30/26/54/455302654.db2.gz RSGQWUYBTRWECG-JTQLQIEISA-N 1 2 329.231 3.021 40 0 EGABLO O=C(NCCCn1cc[nH+]c1)c1ccccc1OCc1ccccc1 ZINC000006110483 452921487 /nfs/dbraw/zinc/92/14/87/452921487.db2.gz WHIVGOZCCNSAAL-UHFFFAOYSA-N 1 2 335.407 3.282 40 0 EGABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc2ncccc21)c1ccccc1 ZINC000044893589 454125340 /nfs/dbraw/zinc/12/53/40/454125340.db2.gz BCKYGAZAWLMWNR-IBGZPJMESA-N 1 2 342.402 3.488 40 0 EGABLO C[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000044947024 454127677 /nfs/dbraw/zinc/12/76/77/454127677.db2.gz AOAMZXKERXDTLP-HNNXBMFYSA-N 1 2 342.414 3.149 40 0 EGABLO CC(C)C[C@H](c1nnnn1C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670223 454140147 /nfs/dbraw/zinc/14/01/47/454140147.db2.gz MTVVHDQIPCZQRQ-GOSISDBHSA-N 1 2 342.491 3.163 40 0 EGABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@H](COCC3CC3)C2)s1 ZINC000096044900 454268738 /nfs/dbraw/zinc/26/87/38/454268738.db2.gz HORXPEHLBSDPQF-HNNXBMFYSA-N 1 2 331.485 3.316 40 0 EGABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@H](COCC3CC3)C2)s1 ZINC000096044900 454268742 /nfs/dbraw/zinc/26/87/42/454268742.db2.gz HORXPEHLBSDPQF-HNNXBMFYSA-N 1 2 331.485 3.316 40 0 EGABLO COc1ccc(OC)c(C[N@@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)c1 ZINC000072340961 454294575 /nfs/dbraw/zinc/29/45/75/454294575.db2.gz XLYZVVXYPISGAP-KDOFPFPSSA-N 1 2 325.412 3.064 40 0 EGABLO COc1ccc(OC)c(C[N@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)c1 ZINC000072340961 454294578 /nfs/dbraw/zinc/29/45/78/454294578.db2.gz XLYZVVXYPISGAP-KDOFPFPSSA-N 1 2 325.412 3.064 40 0 EGABLO Cn1cnc2c1[C@H](COCc1ccccc1)[N@H+](Cc1cccnc1)CC2 ZINC000096187732 454299720 /nfs/dbraw/zinc/29/97/20/454299720.db2.gz RFCZKNRWLLVJLE-FQEVSTJZSA-N 1 2 348.450 3.131 40 0 EGABLO Cn1cnc2c1[C@H](COCc1ccccc1)[N@@H+](Cc1cccnc1)CC2 ZINC000096187732 454299724 /nfs/dbraw/zinc/29/97/24/454299724.db2.gz RFCZKNRWLLVJLE-FQEVSTJZSA-N 1 2 348.450 3.131 40 0 EGABLO Cn1c[nH+]c2c1[C@H](COCc1ccccc1)N(Cc1cccnc1)CC2 ZINC000096187732 454299727 /nfs/dbraw/zinc/29/97/27/454299727.db2.gz RFCZKNRWLLVJLE-FQEVSTJZSA-N 1 2 348.450 3.131 40 0 EGABLO O=C(CC1=CCCCC1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC000096207388 454303726 /nfs/dbraw/zinc/30/37/26/454303726.db2.gz DHTWVHDVXGOQAB-GOSISDBHSA-N 1 2 343.471 3.159 40 0 EGABLO CC[C@@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1nccs1 ZINC000096415365 454331574 /nfs/dbraw/zinc/33/15/74/454331574.db2.gz GCTAPSZJCIFOTB-GFCCVEGCSA-N 1 2 334.445 3.114 40 0 EGABLO CC[C@@H](C(=O)N1CCC(Nc2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC000096429343 454341382 /nfs/dbraw/zinc/34/13/82/454341382.db2.gz QPMFAETXBAJJAY-GOSISDBHSA-N 1 2 338.455 3.382 40 0 EGABLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1scnc1C ZINC000096432938 454343534 /nfs/dbraw/zinc/34/35/34/454343534.db2.gz USZYBBQIGZLLBM-UHFFFAOYSA-N 1 2 344.484 3.225 40 0 EGABLO CC[C@@H](Oc1ccccc1C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000096454289 454357437 /nfs/dbraw/zinc/35/74/37/454357437.db2.gz HRTOAGSJPVZHBP-HZPDHXFCSA-N 1 2 327.428 3.282 40 0 EGABLO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]Cc1ccon1 ZINC000096486263 454367624 /nfs/dbraw/zinc/36/76/24/454367624.db2.gz BMJRKSGBXOHLBA-UHFFFAOYSA-N 1 2 347.216 3.221 40 0 EGABLO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCc2ccc(Cl)cc2C1 ZINC000096485779 454367734 /nfs/dbraw/zinc/36/77/34/454367734.db2.gz JBAINQSFGINHNM-UHFFFAOYSA-N 1 2 338.798 3.119 40 0 EGABLO O=C(Nc1cc[nH+]cc1O)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000097237546 454428176 /nfs/dbraw/zinc/42/81/76/454428176.db2.gz XIOBAYYJCABSSZ-UHFFFAOYSA-N 1 2 332.787 3.128 40 0 EGABLO O=C(Cc1cccc(Cl)c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000064611105 454493937 /nfs/dbraw/zinc/49/39/37/454493937.db2.gz IKGLRMZSFVBYIR-UHFFFAOYSA-N 1 2 325.799 3.385 40 0 EGABLO Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000156555969 455132126 /nfs/dbraw/zinc/13/21/26/455132126.db2.gz QEINPWZKXFIBJP-WFASDCNBSA-N 1 2 346.500 3.097 40 0 EGABLO C[C@H](C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)CS(C)(=O)=O ZINC000246609358 455511377 /nfs/dbraw/zinc/51/13/77/455511377.db2.gz RFYLRZMHAGPACL-OCCSQVGLSA-N 1 2 338.498 3.114 40 0 EGABLO C[C@H](C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)CS(C)(=O)=O ZINC000246609358 455511379 /nfs/dbraw/zinc/51/13/79/455511379.db2.gz RFYLRZMHAGPACL-OCCSQVGLSA-N 1 2 338.498 3.114 40 0 EGABLO Cc1csc(C[NH+]2CC3(C2)C[C@@H](OCc2ccncc2)CS3)n1 ZINC000247929892 455655963 /nfs/dbraw/zinc/65/59/63/455655963.db2.gz BXUMKGSEOZKZAL-OAHLLOKOSA-N 1 2 347.509 3.123 40 0 EGABLO Cc1cc(N2CC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)nc[nH+]1 ZINC000257283121 455882828 /nfs/dbraw/zinc/88/28/28/455882828.db2.gz OWVCGOOXRZWOTB-OAHLLOKOSA-N 1 2 338.386 3.497 40 0 EGABLO CNc1cc([C@@H]2CCCN2C(=O)CCn2ncc3ccccc32)cc[nH+]1 ZINC000257296095 455885218 /nfs/dbraw/zinc/88/52/18/455885218.db2.gz RBFAZTBUUZAJPC-KRWDZBQOSA-N 1 2 349.438 3.227 40 0 EGABLO CCc1oc(C(=O)NC2CC[NH+](Cc3cscn3)CC2)cc1C ZINC000195539641 455981552 /nfs/dbraw/zinc/98/15/52/455981552.db2.gz IMEYXQIALLORPV-UHFFFAOYSA-N 1 2 333.457 3.001 40 0 EGABLO O=C([O-])c1cccc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[nH+]1 ZINC000263425412 456148295 /nfs/dbraw/zinc/14/82/95/456148295.db2.gz QYPFKBZQFJSWOX-ZDUSSCGKSA-N 1 2 331.441 3.165 40 0 EGABLO O=C([O-])c1cccc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[nH+]1 ZINC000263425412 456148302 /nfs/dbraw/zinc/14/83/02/456148302.db2.gz QYPFKBZQFJSWOX-ZDUSSCGKSA-N 1 2 331.441 3.165 40 0 EGABLO C[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1nc(C(C)(C)C)cs1 ZINC000302920871 456435570 /nfs/dbraw/zinc/43/55/70/456435570.db2.gz ZOYYTPNRQHQJBL-GFCCVEGCSA-N 1 2 347.488 3.240 40 0 EGABLO C[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1nc(C(C)(C)C)cs1 ZINC000302920871 456435580 /nfs/dbraw/zinc/43/55/80/456435580.db2.gz ZOYYTPNRQHQJBL-GFCCVEGCSA-N 1 2 347.488 3.240 40 0 EGABLO O=C(C1=CCCCC1)N1CC2(C1)OCC[C@@H]2CCNc1cccc[nH+]1 ZINC000306134035 456566537 /nfs/dbraw/zinc/56/65/37/456566537.db2.gz NCFRSQDSZNUWRJ-KRWDZBQOSA-N 1 2 341.455 3.002 40 0 EGABLO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575604993 459980261 /nfs/dbraw/zinc/98/02/61/459980261.db2.gz FBCSPWKKQRUFEG-OAHLLOKOSA-N 1 2 346.814 3.427 40 0 EGABLO CCn1c(C[N@@H+]2CCCC[C@H]2c2ccnc(N)n2)nc2ccccc21 ZINC000257247640 535980595 /nfs/dbraw/zinc/98/05/95/535980595.db2.gz IZWUJICVVZISOP-INIZCTEOSA-N 1 2 336.443 3.156 40 0 EGABLO CCn1c(C[N@H+]2CCCC[C@H]2c2ccnc(N)n2)nc2ccccc21 ZINC000257247640 535980597 /nfs/dbraw/zinc/98/05/97/535980597.db2.gz IZWUJICVVZISOP-INIZCTEOSA-N 1 2 336.443 3.156 40 0 EGABLO c1nc2n(c1C[N@@H+]1CCCC[C@H]1c1nc3ccccc3o1)CCOC2 ZINC000892160472 1305271779 /nfs/dbraw/zinc/27/17/79/1305271779.db2.gz CWZXRQWAVVOVOC-INIZCTEOSA-N 1 2 338.411 3.282 40 0 EGABLO c1nc2n(c1C[N@H+]1CCCC[C@H]1c1nc3ccccc3o1)CCOC2 ZINC000892160472 1305271781 /nfs/dbraw/zinc/27/17/81/1305271781.db2.gz CWZXRQWAVVOVOC-INIZCTEOSA-N 1 2 338.411 3.282 40 0 EGABLO COc1ccc(OCc2noc(C[N@H+](C)Cc3cccs3)n2)cc1 ZINC000040479825 213314998 /nfs/dbraw/zinc/31/49/98/213314998.db2.gz FFHLQCUJNMFPLD-UHFFFAOYSA-N 1 2 345.424 3.351 40 0 EGABLO COc1ccc(OCc2noc(C[N@@H+](C)Cc3cccs3)n2)cc1 ZINC000040479825 213315001 /nfs/dbraw/zinc/31/50/01/213315001.db2.gz FFHLQCUJNMFPLD-UHFFFAOYSA-N 1 2 345.424 3.351 40 0 EGABLO C[C@H](c1nnnn1C)[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000189731328 237193026 /nfs/dbraw/zinc/19/30/26/237193026.db2.gz VTJZCOIRHQVVHF-LLVKDONJSA-N 1 2 337.880 3.181 40 0 EGABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCN2C(=O)Nc2ccccc2)cc[nH+]1 ZINC000072360791 216167481 /nfs/dbraw/zinc/16/74/81/216167481.db2.gz CHOYWMMEIHVVOA-MRXNPFEDSA-N 1 2 348.410 3.423 40 0 EGABLO Cn1ccnc1C[N@@H+]1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072362780 216170249 /nfs/dbraw/zinc/17/02/49/216170249.db2.gz PVANQQGXJGOPFE-INIZCTEOSA-N 1 2 349.438 3.382 40 0 EGABLO Cn1ccnc1C[N@H+]1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072362780 216170253 /nfs/dbraw/zinc/17/02/53/216170253.db2.gz PVANQQGXJGOPFE-INIZCTEOSA-N 1 2 349.438 3.382 40 0 EGABLO Cc1nc(N2CCC([C@@H]3CCCCN(C(C)C)C3=O)CC2)cc[nH+]1 ZINC000072369083 216175763 /nfs/dbraw/zinc/17/57/63/216175763.db2.gz PCQXRBCQTXEDAC-KRWDZBQOSA-N 1 2 330.476 3.039 40 0 EGABLO Cc1cccc(O[C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000022528809 212306189 /nfs/dbraw/zinc/30/61/89/212306189.db2.gz PTDATILFHZNEIJ-INIZCTEOSA-N 1 2 335.407 3.264 40 0 EGABLO COc1ccccc1CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022238299 212285280 /nfs/dbraw/zinc/28/52/80/212285280.db2.gz KLIBUHHHSANTLZ-UHFFFAOYSA-N 1 2 345.468 3.319 40 0 EGABLO Cc1ccccc1COC1CC[NH+]([C@@H](C)c2nnnn2C2CC2)CC1 ZINC000225400568 241844754 /nfs/dbraw/zinc/84/47/54/241844754.db2.gz NOZZDSZWQMVGAN-HNNXBMFYSA-N 1 2 341.459 3.059 40 0 EGABLO CN(Cc1ccco1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000242305037 243016647 /nfs/dbraw/zinc/01/66/47/243016647.db2.gz YUFXFQJEJPRTIC-IAGOWNOFSA-N 1 2 349.381 3.145 40 0 EGABLO CN(Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000242305037 243016655 /nfs/dbraw/zinc/01/66/55/243016655.db2.gz YUFXFQJEJPRTIC-IAGOWNOFSA-N 1 2 349.381 3.145 40 0 EGABLO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000257210430 244149557 /nfs/dbraw/zinc/14/95/57/244149557.db2.gz BUNXBFTWRXRXMD-HNNXBMFYSA-N 1 2 349.442 3.026 40 0 EGABLO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000257210430 244149560 /nfs/dbraw/zinc/14/95/60/244149560.db2.gz BUNXBFTWRXRXMD-HNNXBMFYSA-N 1 2 349.442 3.026 40 0 EGABLO CN(C)c1cc([C@H]2CCCN2C(=O)COc2cccc(F)c2)cc[nH+]1 ZINC000257214611 244163930 /nfs/dbraw/zinc/16/39/30/244163930.db2.gz CMQFZMFGIAEUQQ-QGZVFWFLSA-N 1 2 343.402 3.029 40 0 EGABLO CCCn1cc(Cl)c(C(=O)N2CCC[C@H]2c2cc[nH+]c(NC)c2)n1 ZINC000257321443 284131167 /nfs/dbraw/zinc/13/11/67/284131167.db2.gz WBSADYZNIPMWGF-AWEZNQCLSA-N 1 2 347.850 3.361 40 0 EGABLO Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c(-n3cccc3)c2)o1 ZINC000019216659 212006197 /nfs/dbraw/zinc/00/61/97/212006197.db2.gz QSWJULRTVMHCJZ-UHFFFAOYSA-N 1 2 346.390 3.494 40 0 EGABLO C[C@H]1CN(c2cc(CNc3ncc(Cl)cc3F)cc[nH+]2)CCO1 ZINC000079302122 217205498 /nfs/dbraw/zinc/20/54/98/217205498.db2.gz KZKOLVOOYZHOKL-NSHDSACASA-N 1 2 336.798 3.106 40 0 EGABLO O=C(NCc1[nH+]ccn1Cc1ccccc1)c1cccc(F)c1F ZINC000080999235 217348686 /nfs/dbraw/zinc/34/86/86/217348686.db2.gz WXAZGBOCKZYNBD-UHFFFAOYSA-N 1 2 327.334 3.140 40 0 EGABLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000012221707 211323992 /nfs/dbraw/zinc/32/39/92/211323992.db2.gz QLZUMHJMOFRHNC-MRXNPFEDSA-N 1 2 345.324 3.357 40 0 EGABLO Cc1ccc(NC(=O)c2cnn(-c3ccccc3C)c2)c(N(C)C)[nH+]1 ZINC000152711143 224002212 /nfs/dbraw/zinc/00/22/12/224002212.db2.gz BTZPOLBGPNZZOA-UHFFFAOYSA-N 1 2 335.411 3.202 40 0 EGABLO COc1ccc([C@@H]2Cn3c(C)c[nH+]c3CN2Cc2cscn2)cc1 ZINC000257303609 286364559 /nfs/dbraw/zinc/36/45/59/286364559.db2.gz SHXQHAQYLYJLLJ-KRWDZBQOSA-N 1 2 340.452 3.414 40 0 EGABLO COc1c(C)c[nH+]c(CSc2nnc(N(C)C)n2C(C)C)c1C ZINC000096411920 277363748 /nfs/dbraw/zinc/36/37/48/277363748.db2.gz KQDCUNBBGNOLEX-UHFFFAOYSA-N 1 2 335.477 3.238 40 0 EGABLO c1c(CNc2[nH+]cccc2-c2ccccc2)nnn1Cc1cccnc1 ZINC000162388587 323223805 /nfs/dbraw/zinc/22/38/05/323223805.db2.gz KCCDHPZOLUGVHN-UHFFFAOYSA-N 1 2 342.406 3.396 40 0 EGABLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1Cc1ncnn1CCF ZINC000242048163 455270492 /nfs/dbraw/zinc/27/04/92/455270492.db2.gz VTKBWWXJRYULKQ-GDBMZVCRSA-N 1 2 332.423 3.229 40 0 EGABLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cc1ncnn1CCF ZINC000242048163 455270495 /nfs/dbraw/zinc/27/04/95/455270495.db2.gz VTKBWWXJRYULKQ-GDBMZVCRSA-N 1 2 332.423 3.229 40 0 EGABLO C[C@H](c1ccco1)N(C)C(=O)NCc1[nH+]ccn1Cc1ccccc1 ZINC000075457217 453894040 /nfs/dbraw/zinc/89/40/40/453894040.db2.gz GVSMUAIZUIPJRC-OAHLLOKOSA-N 1 2 338.411 3.427 40 0 EGABLO CCOc1cc([C@H]([NH3+])c2nnc(-c3cccc(F)c3)[nH]2)ccc1OC ZINC000095534460 454231188 /nfs/dbraw/zinc/23/11/88/454231188.db2.gz MWAXNVSTPCCVEX-INIZCTEOSA-N 1 2 342.374 3.066 40 0 EGABLO CCOc1cc([C@H]([NH3+])c2n[nH]c(-c3cccc(F)c3)n2)ccc1OC ZINC000095534460 454231193 /nfs/dbraw/zinc/23/11/93/454231193.db2.gz MWAXNVSTPCCVEX-INIZCTEOSA-N 1 2 342.374 3.066 40 0 EGABLO Cc1noc(CCCC(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)n1 ZINC000089989285 454255357 /nfs/dbraw/zinc/25/53/57/454255357.db2.gz MBNSIJOFSDSPSS-UHFFFAOYSA-N 1 2 339.399 3.104 40 0 EGABLO CNc1[nH+]cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1C ZINC000072218990 454275216 /nfs/dbraw/zinc/27/52/16/454275216.db2.gz MFIRWLDVCUJTOP-KRWDZBQOSA-N 1 2 345.468 3.266 40 0 EGABLO Cc1cccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)n1 ZINC000096112106 454286907 /nfs/dbraw/zinc/28/69/07/454286907.db2.gz CAVFGCUYFJZJPL-QAPCUYQASA-N 1 2 341.386 3.270 40 0 biogenic,in-vitro EGABLO Cc1cccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)n1 ZINC000096112106 454286912 /nfs/dbraw/zinc/28/69/12/454286912.db2.gz CAVFGCUYFJZJPL-QAPCUYQASA-N 1 2 341.386 3.270 40 0 biogenic,in-vitro EGABLO Cc1ccc(CN2CCn3c(Cn4cccn4)c[nH+]c3[C@H]2C)s1 ZINC000096201251 454302202 /nfs/dbraw/zinc/30/22/02/454302202.db2.gz WELAGCDCBOKVAM-CQSZACIVSA-N 1 2 327.457 3.075 40 0 EGABLO O=C(c1cccs1)N1CC[C@@]2(CC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000096228695 454309521 /nfs/dbraw/zinc/30/95/21/454309521.db2.gz KSFYYYDPFHOXNW-GOSISDBHSA-N 1 2 330.428 3.378 40 0 EGABLO O=C(c1cccs1)N1CC[C@@]2(CC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000096228695 454309525 /nfs/dbraw/zinc/30/95/25/454309525.db2.gz KSFYYYDPFHOXNW-GOSISDBHSA-N 1 2 330.428 3.378 40 0 EGABLO Cc1cccc2[nH+]c(CNC(=O)N(C)CCc3cccs3)cn21 ZINC000096440607 454349692 /nfs/dbraw/zinc/34/96/92/454349692.db2.gz TUDRMLODDBXSKS-UHFFFAOYSA-N 1 2 328.441 3.088 40 0 EGABLO C[C@H]1CCC[C@@H](OCC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000079032166 454358531 /nfs/dbraw/zinc/35/85/31/454358531.db2.gz GEQAHFDWRNGMAI-FUHWJXTLSA-N 1 2 346.471 3.053 40 0 EGABLO Cc1[nH+]c2ccccn2c1CN1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000097095910 454405142 /nfs/dbraw/zinc/40/51/42/454405142.db2.gz RIHXCCQBQSGCLS-GOSISDBHSA-N 1 2 349.434 3.117 40 0 EGABLO Cc1[nH+]c(N2CCCC2)ccc1NC(=O)C[C@@](C)(O)c1ccccc1 ZINC000097236673 454428976 /nfs/dbraw/zinc/42/89/76/454428976.db2.gz PXCYBHITYOKYOM-HXUWFJFHSA-N 1 2 339.439 3.227 40 0 EGABLO CC(=O)NC1CCC([NH2+]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000133967971 454489182 /nfs/dbraw/zinc/48/91/82/454489182.db2.gz OJEDRJJELAKLKP-BXXOZEPKSA-N 1 2 345.487 3.159 40 0 EGABLO COCc1noc(C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)n1 ZINC000182650345 455560839 /nfs/dbraw/zinc/56/08/39/455560839.db2.gz BISBVPCQHABKQJ-INIZCTEOSA-N 1 2 326.400 3.425 40 0 EGABLO COCc1noc(C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)n1 ZINC000182650345 455560842 /nfs/dbraw/zinc/56/08/42/455560842.db2.gz BISBVPCQHABKQJ-INIZCTEOSA-N 1 2 326.400 3.425 40 0 EGABLO Fc1ccc(-c2nc(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)no2)c(F)c1 ZINC000249358798 455750733 /nfs/dbraw/zinc/75/07/33/455750733.db2.gz LMIDNFLOTKDASP-XHDPSFHLSA-N 1 2 335.354 3.016 40 0 EGABLO Fc1ccc(-c2nc(C[N@H+]3CC[C@H]4OCCC[C@H]4C3)no2)c(F)c1 ZINC000249358798 455750735 /nfs/dbraw/zinc/75/07/35/455750735.db2.gz LMIDNFLOTKDASP-XHDPSFHLSA-N 1 2 335.354 3.016 40 0 EGABLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cnn(CC(C)C)c1 ZINC000253432441 455848461 /nfs/dbraw/zinc/84/84/61/455848461.db2.gz KJOQKNQCWTVGHB-INIZCTEOSA-N 1 2 329.448 3.123 40 0 EGABLO COc1ccccc1CC(=O)N1CCC[C@@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257279599 455881550 /nfs/dbraw/zinc/88/15/50/455881550.db2.gz OHILJFAZDPRFHW-QGZVFWFLSA-N 1 2 339.439 3.062 40 0 EGABLO Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3c(F)cccc3Cl)C2)[nH+]1 ZINC000257284497 455882319 /nfs/dbraw/zinc/88/23/19/455882319.db2.gz PCXLXVIRSQWHNW-LBPRGKRZSA-N 1 2 335.810 3.459 40 0 EGABLO CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H]1c1cc[nH+]c(NC)c1 ZINC000257294630 455885184 /nfs/dbraw/zinc/88/51/84/455885184.db2.gz QUZPYGJJCHXHBP-MRXNPFEDSA-N 1 2 341.459 3.440 40 0 EGABLO CCCn1ccnc1C[NH+]1CC2(C1)CO[C@@H](Cc1cccc(F)c1)C2 ZINC000257342258 455895660 /nfs/dbraw/zinc/89/56/60/455895660.db2.gz ZNUUISSWDIMIFE-SFHVURJKSA-N 1 2 343.446 3.266 40 0 EGABLO CCCn1cc[nH+]c1CN1CC2(C1)CO[C@@H](Cc1cccc(F)c1)C2 ZINC000257342258 455895667 /nfs/dbraw/zinc/89/56/67/455895667.db2.gz ZNUUISSWDIMIFE-SFHVURJKSA-N 1 2 343.446 3.266 40 0 EGABLO CC1(C)[C@@H](c2ccccc2)CCN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000333785971 456262011 /nfs/dbraw/zinc/26/20/11/456262011.db2.gz VINKTWGAAXKIPX-HZPDHXFCSA-N 1 2 338.455 3.245 40 0 EGABLO CC1(C)[C@@H](c2ccccc2)CCN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000333785971 456262016 /nfs/dbraw/zinc/26/20/16/456262016.db2.gz VINKTWGAAXKIPX-HZPDHXFCSA-N 1 2 338.455 3.245 40 0 EGABLO CN1C(=O)c2ccccc2O[C@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]21 ZINC000514288760 458798119 /nfs/dbraw/zinc/79/81/19/458798119.db2.gz BIUJJONZYJDJNB-AEFFLSMTSA-N 1 2 342.826 3.057 40 0 biogenic,in-vitro EGABLO CN1C(=O)c2ccccc2O[C@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]21 ZINC000514288760 458798124 /nfs/dbraw/zinc/79/81/24/458798124.db2.gz BIUJJONZYJDJNB-AEFFLSMTSA-N 1 2 342.826 3.057 40 0 biogenic,in-vitro EGABLO CC(C)C[N@@H+]1CC[C@@H](CC(=O)[O-])[C@@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1 ZINC000514288429 458798398 /nfs/dbraw/zinc/79/83/98/458798398.db2.gz FBWNYQWCFWGDRX-KBPBESRZSA-N 1 2 347.434 3.313 40 0 biogenic,in-vitro EGABLO CC(C)C[N@H+]1CC[C@@H](CC(=O)[O-])[C@@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1 ZINC000514288429 458798400 /nfs/dbraw/zinc/79/84/00/458798400.db2.gz FBWNYQWCFWGDRX-KBPBESRZSA-N 1 2 347.434 3.313 40 0 biogenic,in-vitro EGABLO CC(=O)N1CCC[C@H](c2cccc(-c3c[nH+]c4ccc(C)cn43)n2)C1 ZINC000585262763 459831545 /nfs/dbraw/zinc/83/15/45/459831545.db2.gz CYUZTGKPZIDIBR-INIZCTEOSA-N 1 2 334.423 3.431 40 0 EGABLO CCc1[nH]c2ccc(NC(=O)CCN3Cc4ccccc4C3=O)cc2[nH+]1 ZINC000012143801 522495264 /nfs/dbraw/zinc/49/52/64/522495264.db2.gz GOISISWOPNMOPV-UHFFFAOYSA-N 1 2 348.406 3.110 40 0 EGABLO c1coc(C[N@@H+]2Cc3ccnn3[C@@H](CCOCc3ccccn3)C2)c1 ZINC000306132043 547460511 /nfs/dbraw/zinc/46/05/11/547460511.db2.gz KWIDTUVRDFGTCV-SFHVURJKSA-N 1 2 338.411 3.035 40 0 EGABLO c1coc(C[N@H+]2Cc3ccnn3[C@@H](CCOCc3ccccn3)C2)c1 ZINC000306132043 547460516 /nfs/dbraw/zinc/46/05/16/547460516.db2.gz KWIDTUVRDFGTCV-SFHVURJKSA-N 1 2 338.411 3.035 40 0 EGABLO c1csc(C[N@@H+]2Cc3ccnn3[C@@H](CCOc3cccnc3)C2)c1 ZINC000306131709 547460695 /nfs/dbraw/zinc/46/06/95/547460695.db2.gz KNLFZWUXGQJXSF-INIZCTEOSA-N 1 2 340.452 3.366 40 0 EGABLO c1csc(C[N@H+]2Cc3ccnn3[C@@H](CCOc3cccnc3)C2)c1 ZINC000306131709 547460699 /nfs/dbraw/zinc/46/06/99/547460699.db2.gz KNLFZWUXGQJXSF-INIZCTEOSA-N 1 2 340.452 3.366 40 0 EGABLO Cc1ccc(NC(=O)N2CC[C@H](Cc3nccs3)C2)c(N(C)C)[nH+]1 ZINC000930506408 1328879541 /nfs/dbraw/zinc/87/95/41/1328879541.db2.gz VVCBBOWUAYHDPM-CYBMUJFWSA-N 1 2 345.472 3.009 40 0 EGABLO CCOc1cccc(N2C(=O)C[C@@H](n3c(C)[nH+]c4ccccc43)C2=O)c1 ZINC000102223368 219191525 /nfs/dbraw/zinc/19/15/25/219191525.db2.gz VPEJGHVHAAOKFG-GOSISDBHSA-N 1 2 349.390 3.248 40 0 EGABLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000040434826 213303837 /nfs/dbraw/zinc/30/38/37/213303837.db2.gz XMNFQFTUOICRCH-UHFFFAOYSA-N 1 2 325.840 3.224 40 0 EGABLO CSc1ccc(C[N@H+](C)CN2C(=O)CC3(CCCC3)C2=O)cc1 ZINC000039969534 213247535 /nfs/dbraw/zinc/24/75/35/213247535.db2.gz ZWJMFSNZHOXMQG-UHFFFAOYSA-N 1 2 332.469 3.117 40 0 EGABLO CSc1ccc(C[N@@H+](C)CN2C(=O)CC3(CCCC3)C2=O)cc1 ZINC000039969534 213247537 /nfs/dbraw/zinc/24/75/37/213247537.db2.gz ZWJMFSNZHOXMQG-UHFFFAOYSA-N 1 2 332.469 3.117 40 0 EGABLO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H](C(N)=O)c1ccccc1 ZINC000036393115 213096220 /nfs/dbraw/zinc/09/62/20/213096220.db2.gz DJAZFUFCPCQWMB-HNNXBMFYSA-N 1 2 338.329 3.244 40 0 EGABLO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H](C(N)=O)c1ccccc1 ZINC000036393115 213096222 /nfs/dbraw/zinc/09/62/22/213096222.db2.gz DJAZFUFCPCQWMB-HNNXBMFYSA-N 1 2 338.329 3.244 40 0 EGABLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000035670904 213045488 /nfs/dbraw/zinc/04/54/88/213045488.db2.gz PSVNBLDDOHMNPI-WOJBJXKFSA-N 1 2 336.435 3.261 40 0 EGABLO COc1ccc(-c2cc(CC3([NH2+]Cc4ccco4)COC3)no2)cc1 ZINC000072321954 216150245 /nfs/dbraw/zinc/15/02/45/216150245.db2.gz DRKSXKZFVJDGIQ-UHFFFAOYSA-N 1 2 340.379 3.045 40 0 biogenic,in-vitro EGABLO Cc1cccc(C2=NO[C@H]3C[N@@H+](Cc4cnc(C(C)C)nc4)C[C@@H]23)c1 ZINC000072343240 216159715 /nfs/dbraw/zinc/15/97/15/216159715.db2.gz XCZFSXAXDVLJBU-MSOLQXFVSA-N 1 2 336.439 3.143 40 0 EGABLO Cc1cccc(C2=NO[C@H]3C[N@H+](Cc4cnc(C(C)C)nc4)C[C@@H]23)c1 ZINC000072343240 216159718 /nfs/dbraw/zinc/15/97/18/216159718.db2.gz XCZFSXAXDVLJBU-MSOLQXFVSA-N 1 2 336.439 3.143 40 0 EGABLO O=C(COc1cccc(-n2cc[nH+]c2)c1)Nc1ccc(F)cc1F ZINC000072674239 216290580 /nfs/dbraw/zinc/29/05/80/216290580.db2.gz YLGKSGVYQMFDSZ-UHFFFAOYSA-N 1 2 329.306 3.168 40 0 EGABLO O=C(NCCn1cc[nH+]c1)N1CC=C(c2ccccc2Cl)CC1 ZINC000132191383 223308758 /nfs/dbraw/zinc/30/87/58/223308758.db2.gz ZYGSOIUMVIJJBX-UHFFFAOYSA-N 1 2 330.819 3.035 40 0 EGABLO COc1cc(CNCC[NH+](C)C)ccc1OCc1ccccc1C ZINC000023254505 212364477 /nfs/dbraw/zinc/36/44/77/212364477.db2.gz ACLHPFPJNGRKPQ-UHFFFAOYSA-N 1 2 328.456 3.234 40 0 EGABLO Cc1cc(C)n(-c2ccc(NCc3ccccc3-n3cc[nH+]c3)nn2)n1 ZINC000195575628 241022324 /nfs/dbraw/zinc/02/23/24/241022324.db2.gz WGJXVVOZFQPXCL-UHFFFAOYSA-N 1 2 345.410 3.077 40 0 EGABLO Cc1cc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)c(C)o1 ZINC000021710475 212241279 /nfs/dbraw/zinc/24/12/79/212241279.db2.gz FEPQKKDKGQTJIR-LJQANCHMSA-N 1 2 342.439 3.008 40 0 EGABLO Cc1c[nH+]c2n1C[C@H](c1ccccc1)N(C(=O)c1scnc1C)C2 ZINC000257209877 244147510 /nfs/dbraw/zinc/14/75/10/244147510.db2.gz BSGARWBGYMGGLC-OAHLLOKOSA-N 1 2 338.436 3.354 40 0 EGABLO c1cc(C[C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH]n1 ZINC000257232647 244216500 /nfs/dbraw/zinc/21/65/00/244216500.db2.gz GLVABZNWDDCADE-MRXNPFEDSA-N 1 2 333.439 3.321 40 0 EGABLO c1cc(C[C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH]n1 ZINC000257232647 244216512 /nfs/dbraw/zinc/21/65/12/244216512.db2.gz GLVABZNWDDCADE-MRXNPFEDSA-N 1 2 333.439 3.321 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)COc3cccc(F)c3)C2)cc[nH+]1 ZINC000257242832 244248815 /nfs/dbraw/zinc/24/88/15/244248815.db2.gz IEJCZXDBQOXNRL-OAHLLOKOSA-N 1 2 343.402 3.047 40 0 EGABLO Fc1cc(C[NH+]2CC3(C2)CO[C@@H](Cc2cncnc2)C3)ccc1Cl ZINC000257256635 244284040 /nfs/dbraw/zinc/28/40/40/244284040.db2.gz KMHQYUNVCDETRD-HNNXBMFYSA-N 1 2 347.821 3.103 40 0 EGABLO Cc1ccc(CC(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)s1 ZINC000257259700 244292476 /nfs/dbraw/zinc/29/24/76/244292476.db2.gz KZOUGCYNWSWPCC-OAHLLOKOSA-N 1 2 329.469 3.121 40 0 EGABLO O=C(c1noc2c1CCCC2)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257264597 244358730 /nfs/dbraw/zinc/35/87/30/244358730.db2.gz LVEBWGYIGGFZOU-INIZCTEOSA-N 1 2 348.406 3.147 40 0 EGABLO Cc1cc(OC(F)F)c(C(=O)NCCCCn2cc[nH+]c2)s1 ZINC000079312950 217206853 /nfs/dbraw/zinc/20/68/53/217206853.db2.gz MXDZKGVDMONZSX-UHFFFAOYSA-N 1 2 329.372 3.065 40 0 EGABLO CC(C)(C)OC(=O)N1CCC(CNc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000079439356 217224994 /nfs/dbraw/zinc/22/49/94/217224994.db2.gz YSZFUAVOAPKZSO-UHFFFAOYSA-N 1 2 347.463 3.110 40 0 EGABLO CC(C)(C)OC(=O)N1CCC(CNc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000079439356 217224996 /nfs/dbraw/zinc/22/49/96/217224996.db2.gz YSZFUAVOAPKZSO-UHFFFAOYSA-N 1 2 347.463 3.110 40 0 EGABLO O=C(NC1CC1)c1cc(SCCn2cc[nH+]c2)nc2ccccc21 ZINC000095435765 218378304 /nfs/dbraw/zinc/37/83/04/218378304.db2.gz BJEYTSXCVZALOO-UHFFFAOYSA-N 1 2 338.436 3.116 40 0 EGABLO Cc1cc(C)nc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000097378600 219019810 /nfs/dbraw/zinc/01/98/10/219019810.db2.gz RPDQMPKKHDCWNQ-MRXNPFEDSA-N 1 2 339.443 3.004 40 0 EGABLO Cc1c(N[C@@H]2CCc3ccc[nH+]c3CC2)cnn1C1CCOCC1 ZINC000333798717 308868523 /nfs/dbraw/zinc/86/85/23/308868523.db2.gz XTLDYSSMYAMZBF-MRXNPFEDSA-N 1 2 326.444 3.298 40 0 EGABLO C=Cn1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)cn1 ZINC000239475349 455261820 /nfs/dbraw/zinc/26/18/20/455261820.db2.gz ANOWNOMOUAHAEE-CZUORRHYSA-N 1 2 337.345 3.310 40 0 EGABLO C=Cn1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)cn1 ZINC000239475349 455261821 /nfs/dbraw/zinc/26/18/21/455261821.db2.gz ANOWNOMOUAHAEE-CZUORRHYSA-N 1 2 337.345 3.310 40 0 EGABLO Cc1nnc(C[N@@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)n1C ZINC000190358025 455301584 /nfs/dbraw/zinc/30/15/84/455301584.db2.gz GJGFKNXKGNDOPE-SNVBAGLBSA-N 1 2 343.258 3.330 40 0 EGABLO Cc1nnc(C[N@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)n1C ZINC000190358025 455301592 /nfs/dbraw/zinc/30/15/92/455301592.db2.gz GJGFKNXKGNDOPE-SNVBAGLBSA-N 1 2 343.258 3.330 40 0 EGABLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000008315413 453190346 /nfs/dbraw/zinc/19/03/46/453190346.db2.gz MWIKNFQKYBWOQV-AWEZNQCLSA-N 1 2 328.412 3.163 40 0 EGABLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000008315413 453190351 /nfs/dbraw/zinc/19/03/51/453190351.db2.gz MWIKNFQKYBWOQV-AWEZNQCLSA-N 1 2 328.412 3.163 40 0 EGABLO Cc1ccc(C[N@@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cc1C ZINC000012666981 453390865 /nfs/dbraw/zinc/39/08/65/453390865.db2.gz VZSKOIBNJYLAOL-UHFFFAOYSA-N 1 2 348.450 3.487 40 0 EGABLO Cc1ccc(C[N@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cc1C ZINC000012666981 453390869 /nfs/dbraw/zinc/39/08/69/453390869.db2.gz VZSKOIBNJYLAOL-UHFFFAOYSA-N 1 2 348.450 3.487 40 0 EGABLO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000012972230 453429971 /nfs/dbraw/zinc/42/99/71/453429971.db2.gz IRKRTQMENQNCFV-IJLUTSLNSA-N 1 2 346.349 3.021 40 0 EGABLO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(C)no2)cc1 ZINC000032901361 453895858 /nfs/dbraw/zinc/89/58/58/453895858.db2.gz BXZSQPDQYMLEQH-INIZCTEOSA-N 1 2 329.400 3.157 40 0 EGABLO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(C)no2)cc1 ZINC000032901361 453895860 /nfs/dbraw/zinc/89/58/60/453895860.db2.gz BXZSQPDQYMLEQH-INIZCTEOSA-N 1 2 329.400 3.157 40 0 EGABLO O=C(NC12CC3CC(CC(C3)C1)C2)N1CC[NH+](Cc2ccco2)CC1 ZINC000042841373 454028530 /nfs/dbraw/zinc/02/85/30/454028530.db2.gz BFBQNNKPKMAKNK-UHFFFAOYSA-N 1 2 343.471 3.076 40 0 EGABLO O=C(NCCC1=CCCCC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044848547 454122483 /nfs/dbraw/zinc/12/24/83/454122483.db2.gz BYFGROVYGSOZLB-UHFFFAOYSA-N 1 2 328.456 3.139 40 0 EGABLO Cc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000044948805 454128652 /nfs/dbraw/zinc/12/86/52/454128652.db2.gz VIBLWRUFJOYNBE-INIZCTEOSA-N 1 2 335.407 3.264 40 0 EGABLO CCOC[C@H]1C[N@H+](Cc2ccc(C)o2)Cc2cn(CC3CC3)nc21 ZINC000096059965 454275841 /nfs/dbraw/zinc/27/58/41/454275841.db2.gz SELKSOLUUIWVPP-QGZVFWFLSA-N 1 2 329.444 3.330 40 0 EGABLO CCOC[C@H]1C[N@@H+](Cc2ccc(C)o2)Cc2cn(CC3CC3)nc21 ZINC000096059965 454275843 /nfs/dbraw/zinc/27/58/43/454275843.db2.gz SELKSOLUUIWVPP-QGZVFWFLSA-N 1 2 329.444 3.330 40 0 EGABLO COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)c1OC ZINC000072340963 454294856 /nfs/dbraw/zinc/29/48/56/454294856.db2.gz WADIBBUURYJSCW-PBHICJAKSA-N 1 2 325.412 3.064 40 0 EGABLO COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)c1OC ZINC000072340963 454294859 /nfs/dbraw/zinc/29/48/59/454294859.db2.gz WADIBBUURYJSCW-PBHICJAKSA-N 1 2 325.412 3.064 40 0 EGABLO COC[C@H]1C[N@H+](Cc2ccccc2OC)Cc2c1cnn2CC1CC1 ZINC000096197948 454301301 /nfs/dbraw/zinc/30/13/01/454301301.db2.gz ZZQLZWDDNVQONL-QGZVFWFLSA-N 1 2 341.455 3.048 40 0 EGABLO COC[C@H]1C[N@@H+](Cc2ccccc2OC)Cc2c1cnn2CC1CC1 ZINC000096197948 454301305 /nfs/dbraw/zinc/30/13/05/454301305.db2.gz ZZQLZWDDNVQONL-QGZVFWFLSA-N 1 2 341.455 3.048 40 0 EGABLO C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(S(C)(=O)=O)cc1 ZINC000090459105 454309745 /nfs/dbraw/zinc/30/97/45/454309745.db2.gz IMIHMCNGQHEBCT-LLVKDONJSA-N 1 2 336.482 3.275 40 0 EGABLO C[C@]1(c2ccccc2)CCCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000096406039 454324582 /nfs/dbraw/zinc/32/45/82/454324582.db2.gz IAOAPMWBOJQZDQ-FQEVSTJZSA-N 1 2 340.471 3.427 40 0 EGABLO CCc1ccc([C@H]2COCC[N@@H+]2Cc2cc3ccccc3[nH]c2=O)o1 ZINC000096413021 454330581 /nfs/dbraw/zinc/33/05/81/454330581.db2.gz YFZGGGCIKHCERP-GOSISDBHSA-N 1 2 338.407 3.257 40 0 EGABLO CCc1ccc([C@H]2COCC[N@H+]2Cc2cc3ccccc3[nH]c2=O)o1 ZINC000096413021 454330587 /nfs/dbraw/zinc/33/05/87/454330587.db2.gz YFZGGGCIKHCERP-GOSISDBHSA-N 1 2 338.407 3.257 40 0 EGABLO COc1ccccc1COC[C@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000096417582 454333318 /nfs/dbraw/zinc/33/33/18/454333318.db2.gz CIEWBFJJTSRNQV-GOSISDBHSA-N 1 2 338.407 3.136 40 0 EGABLO CC(C)(C)c1nnc(C[N@H+](C[C@H](O)c2ccc(F)cc2)C2CC2)o1 ZINC000096424452 454338389 /nfs/dbraw/zinc/33/83/89/454338389.db2.gz PNEAEBUERCAQOF-HNNXBMFYSA-N 1 2 333.407 3.204 40 0 EGABLO CC(C)(C)c1nnc(C[N@@H+](C[C@H](O)c2ccc(F)cc2)C2CC2)o1 ZINC000096424452 454338390 /nfs/dbraw/zinc/33/83/90/454338390.db2.gz PNEAEBUERCAQOF-HNNXBMFYSA-N 1 2 333.407 3.204 40 0 EGABLO CC[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CCS1 ZINC000096434635 454345668 /nfs/dbraw/zinc/34/56/68/454345668.db2.gz YBFMSGHWDRVRLS-HNNXBMFYSA-N 1 2 330.457 3.446 40 0 EGABLO CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000096440099 454349378 /nfs/dbraw/zinc/34/93/78/454349378.db2.gz QFJSFQANYOPGMQ-DLBZAZTESA-N 1 2 326.444 3.142 40 0 EGABLO Cc1cc(NC(=O)[C@H](C)c2cccs2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000096482571 454365232 /nfs/dbraw/zinc/36/52/32/454365232.db2.gz RULZFZAEFSDNDI-GFCCVEGCSA-N 1 2 341.440 3.391 40 0 EGABLO CC[C@@H](NC(=O)Nc1ccc(C)[nH+]c1N(C)C)c1c(C)noc1C ZINC000096485245 454367326 /nfs/dbraw/zinc/36/73/26/454367326.db2.gz MFFMHUQBVBAQQO-CYBMUJFWSA-N 1 2 331.420 3.334 40 0 EGABLO Cc1nc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)sc1C ZINC000096490970 454368340 /nfs/dbraw/zinc/36/83/40/454368340.db2.gz LRRWWCHOGCWFBI-INIZCTEOSA-N 1 2 329.469 3.213 40 0 EGABLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCCc2sccc21 ZINC000096503252 454373628 /nfs/dbraw/zinc/37/36/28/454373628.db2.gz GWWGRVWZFIWILX-OAHLLOKOSA-N 1 2 344.484 3.200 40 0 EGABLO FC(F)(F)c1nnc(NCc2ccc(N3CCCC3)[nH+]c2)s1 ZINC000121579498 454454373 /nfs/dbraw/zinc/45/43/73/454454373.db2.gz PMROJZXIPROTNN-UHFFFAOYSA-N 1 2 329.351 3.164 40 0 EGABLO C[C@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)Cc1cccs1 ZINC000074628918 454612172 /nfs/dbraw/zinc/61/21/72/454612172.db2.gz HOALZYOKNQGGRY-UONOGXRCSA-N 1 2 332.473 3.239 40 0 EGABLO Cc1noc(-c2ccnc(NCCCc3[nH]c4ccccc4[nH+]3)c2)n1 ZINC000080970258 454662311 /nfs/dbraw/zinc/66/23/11/454662311.db2.gz LUWNKGSTPKMTCE-UHFFFAOYSA-N 1 2 334.383 3.361 40 0 EGABLO Cc1cc(NC(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)on1 ZINC000184528184 455397018 /nfs/dbraw/zinc/39/70/18/455397018.db2.gz UPYQMYLZZJEKKQ-GFCCVEGCSA-N 1 2 342.424 3.396 40 0 EGABLO c1cc(C[NH+]2CC3(C2)C[C@@H](OCc2ccncc2)CCO3)cs1 ZINC000247964520 455662018 /nfs/dbraw/zinc/66/20/18/455662018.db2.gz RQJXTQWBWNUBFJ-KRWDZBQOSA-N 1 2 330.453 3.093 40 0 EGABLO O[C@@H]1C[C@H](c2ccccc2C(F)(F)F)[N@H+](Cc2cncs2)C1 ZINC000253417152 455841781 /nfs/dbraw/zinc/84/17/81/455841781.db2.gz XSFYAAXQVNQECX-QMTHXVAHSA-N 1 2 328.359 3.470 40 0 EGABLO O[C@@H]1C[C@H](c2ccccc2C(F)(F)F)[N@@H+](Cc2cncs2)C1 ZINC000253417152 455841785 /nfs/dbraw/zinc/84/17/85/455841785.db2.gz XSFYAAXQVNQECX-QMTHXVAHSA-N 1 2 328.359 3.470 40 0 EGABLO COCc1noc(C[N@@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2OC)n1 ZINC000253417483 455842125 /nfs/dbraw/zinc/84/21/25/455842125.db2.gz WMWBEAPQEUZFJO-DZGCQCFKSA-N 1 2 331.416 3.198 40 0 EGABLO COCc1noc(C[N@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2OC)n1 ZINC000253417483 455842129 /nfs/dbraw/zinc/84/21/29/455842129.db2.gz WMWBEAPQEUZFJO-DZGCQCFKSA-N 1 2 331.416 3.198 40 0 EGABLO COc1cccc(CC(=O)N2Cc3[nH+]ccn3C[C@H]2c2ccccc2)c1 ZINC000257287869 455883140 /nfs/dbraw/zinc/88/31/40/455883140.db2.gz PRURUKYWCBAWBU-IBGZPJMESA-N 1 2 347.418 3.218 40 0 EGABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+]2Cc2cc[nH]n2)nc(C)n1 ZINC000257292453 455884132 /nfs/dbraw/zinc/88/41/32/455884132.db2.gz QLNHQLSPASXKMZ-KRWDZBQOSA-N 1 2 349.442 3.292 40 0 EGABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+]2Cc2cc[nH]n2)nc(C)n1 ZINC000257292453 455884134 /nfs/dbraw/zinc/88/41/34/455884134.db2.gz QLNHQLSPASXKMZ-KRWDZBQOSA-N 1 2 349.442 3.292 40 0 EGABLO Cc1c[nH]c(-c2nccnc2CC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000257321251 455892312 /nfs/dbraw/zinc/89/23/12/455892312.db2.gz WAVODRNEMONIDR-UHFFFAOYSA-N 1 2 334.427 3.029 40 0 EGABLO Cc1cc(CC2CCN(C(=O)CC3(O)CCCCC3)CC2)cc[nH+]1 ZINC000257324900 455892336 /nfs/dbraw/zinc/89/23/36/455892336.db2.gz WQRKZRKARGCCKU-UHFFFAOYSA-N 1 2 330.472 3.256 40 0 EGABLO CC(C)n1ccnc1C[N@@H+]1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1 ZINC000257335735 455893818 /nfs/dbraw/zinc/89/38/18/455893818.db2.gz YLOUCDMGQOTABG-IEBWSBKVSA-N 1 2 347.434 3.007 40 0 EGABLO CC(C)n1ccnc1C[N@H+]1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1 ZINC000257335735 455893825 /nfs/dbraw/zinc/89/38/25/455893825.db2.gz YLOUCDMGQOTABG-IEBWSBKVSA-N 1 2 347.434 3.007 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)cc[nH+]1 ZINC000257334522 455894230 /nfs/dbraw/zinc/89/42/30/455894230.db2.gz YGHUPJVGFLNLNX-OAHLLOKOSA-N 1 2 343.402 3.047 40 0 EGABLO O=C(N[C@@H]1CCC[C@H]1n1cc[nH+]c1)[C@@H]1SCCc2sccc21 ZINC000195531100 455981233 /nfs/dbraw/zinc/98/12/33/455981233.db2.gz XQZYPOVJKVZMFC-UMVBOHGHSA-N 1 2 333.482 3.185 40 0 EGABLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)CC1(C)C ZINC000296990810 456085669 /nfs/dbraw/zinc/08/56/69/456085669.db2.gz SPMMDDZANNGFKM-ULQDDVLXSA-N 1 2 338.455 3.316 40 0 EGABLO COc1cccc([C@H](Nc2nc[nH+]c(N)c2Cl)c2ccccn2)c1 ZINC000225486638 456087359 /nfs/dbraw/zinc/08/73/59/456087359.db2.gz PJQMVAQLMSJCQS-HNNXBMFYSA-N 1 2 341.802 3.317 40 0 EGABLO COc1cccc([C@H](Nc2[nH+]cnc(N)c2Cl)c2ccccn2)c1 ZINC000225486638 456087363 /nfs/dbraw/zinc/08/73/63/456087363.db2.gz PJQMVAQLMSJCQS-HNNXBMFYSA-N 1 2 341.802 3.317 40 0 EGABLO O=C(c1ccoc1Cl)N(CCC[NH+]1CCOCC1)c1ccccc1 ZINC000225483174 456087835 /nfs/dbraw/zinc/08/78/35/456087835.db2.gz SKMCDMSPUWFWPI-UHFFFAOYSA-N 1 2 348.830 3.302 40 0 EGABLO Cc1ccc([C@H](C)CC[N@@H+]2CC(F)(F)C[C@]3(CCCNC3=O)C2)o1 ZINC000306143138 456567621 /nfs/dbraw/zinc/56/76/21/456567621.db2.gz XUKKQELTKZWKNJ-CXAGYDPISA-N 1 2 340.414 3.319 40 0 EGABLO Cc1ccc([C@H](C)CC[N@H+]2CC(F)(F)C[C@]3(CCCNC3=O)C2)o1 ZINC000306143138 456567624 /nfs/dbraw/zinc/56/76/24/456567624.db2.gz XUKKQELTKZWKNJ-CXAGYDPISA-N 1 2 340.414 3.319 40 0 EGABLO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000198387645 534858401 /nfs/dbraw/zinc/85/84/01/534858401.db2.gz XZJQZYJEDFSJBJ-AWEZNQCLSA-N 1 2 325.412 3.096 40 0 EGABLO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000198387645 534858404 /nfs/dbraw/zinc/85/84/04/534858404.db2.gz XZJQZYJEDFSJBJ-AWEZNQCLSA-N 1 2 325.412 3.096 40 0 EGABLO COc1ccc(C[NH2+][C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1OC ZINC000069169024 215367472 /nfs/dbraw/zinc/36/74/72/215367472.db2.gz AYRVGELUWDESLB-GOSISDBHSA-N 1 2 338.411 3.010 40 0 EGABLO Cc1ccc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1C ZINC000038754797 213224704 /nfs/dbraw/zinc/22/47/04/213224704.db2.gz WKRREQGNWFEHRT-UHFFFAOYSA-N 1 2 335.407 3.184 40 0 EGABLO Clc1cccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCOCC3)n2)c1 ZINC000072322132 216149787 /nfs/dbraw/zinc/14/97/87/216149787.db2.gz FUNHCTVCJBHVMU-KRWDZBQOSA-N 1 2 347.846 3.282 40 0 biogenic,in-vitro EGABLO Clc1cccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCOCC3)n2)c1 ZINC000072322132 216149790 /nfs/dbraw/zinc/14/97/90/216149790.db2.gz FUNHCTVCJBHVMU-KRWDZBQOSA-N 1 2 347.846 3.282 40 0 biogenic,in-vitro EGABLO Cc1ccc(C2=NO[C@@H]3C[N@@H+](Cc4cnc(C(C)C)nc4)C[C@H]23)cc1 ZINC000072343266 216159514 /nfs/dbraw/zinc/15/95/14/216159514.db2.gz KBKQYYDTNQQARW-ZWKOTPCHSA-N 1 2 336.439 3.143 40 0 EGABLO Cc1ccc(C2=NO[C@@H]3C[N@H+](Cc4cnc(C(C)C)nc4)C[C@H]23)cc1 ZINC000072343266 216159516 /nfs/dbraw/zinc/15/95/16/216159516.db2.gz KBKQYYDTNQQARW-ZWKOTPCHSA-N 1 2 336.439 3.143 40 0 EGABLO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072362781 216169769 /nfs/dbraw/zinc/16/97/69/216169769.db2.gz PVANQQGXJGOPFE-MRXNPFEDSA-N 1 2 349.438 3.382 40 0 EGABLO Cn1ccnc1C[N@H+]1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072362781 216169772 /nfs/dbraw/zinc/16/97/72/216169772.db2.gz PVANQQGXJGOPFE-MRXNPFEDSA-N 1 2 349.438 3.382 40 0 EGABLO Cc1cc(C)nc(N2CCC[C@H](c3cccc(-n4cc[nH+]c4)n3)C2)n1 ZINC000072369165 216176503 /nfs/dbraw/zinc/17/65/03/216176503.db2.gz BNDCEMADOJSUEO-INIZCTEOSA-N 1 2 334.427 3.058 40 0 EGABLO COc1ccccc1NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000023053569 212344593 /nfs/dbraw/zinc/34/45/93/212344593.db2.gz YWBMIBQTSHVSAP-UHFFFAOYSA-N 1 2 347.418 3.484 40 0 EGABLO COc1ccccc1NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000023053569 212344596 /nfs/dbraw/zinc/34/45/96/212344596.db2.gz YWBMIBQTSHVSAP-UHFFFAOYSA-N 1 2 347.418 3.484 40 0 EGABLO CCOC(=O)C(C)(C)c1csc(Cc2cn3ccccc3[nH+]2)n1 ZINC000225565501 241929448 /nfs/dbraw/zinc/92/94/48/241929448.db2.gz LRNFBISGBOMQLI-UHFFFAOYSA-N 1 2 329.425 3.222 40 0 EGABLO CCCC[C@@H](C)C(=O)NC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000225734795 242010364 /nfs/dbraw/zinc/01/03/64/242010364.db2.gz TUWKXWKAINLCGK-OAHLLOKOSA-N 1 2 342.487 3.470 40 0 EGABLO Fc1cc(Cl)ccc1C[NH+]1CC2(C1)CO[C@@H](Cc1cncnc1)C2 ZINC000257212529 244156707 /nfs/dbraw/zinc/15/67/07/244156707.db2.gz CDVZPTCEPNNZBB-INIZCTEOSA-N 1 2 347.821 3.103 40 0 EGABLO CNc1cc([C@@H]2CCC[N@@H+]2Cc2c(C)nc3sccn23)nc(C)n1 ZINC000257235679 244225164 /nfs/dbraw/zinc/22/51/64/244225164.db2.gz GYWRDNGXECRDGC-AWEZNQCLSA-N 1 2 342.472 3.181 40 0 EGABLO CNc1cc([C@@H]2CCC[N@H+]2Cc2c(C)nc3sccn23)nc(C)n1 ZINC000257235679 244225166 /nfs/dbraw/zinc/22/51/66/244225166.db2.gz GYWRDNGXECRDGC-AWEZNQCLSA-N 1 2 342.472 3.181 40 0 EGABLO CCn1nc(C(=O)N2CCC(Cc3cc[nH+]c(C)c3)CC2)cc1C ZINC000257260088 244293841 /nfs/dbraw/zinc/29/38/41/244293841.db2.gz LBGUZIWGSKFHDL-UHFFFAOYSA-N 1 2 326.444 3.010 40 0 EGABLO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCC[N@@H+]2Cc2cscn2)n1 ZINC000257265627 244361359 /nfs/dbraw/zinc/36/13/59/244361359.db2.gz LZNTXJDQJLCLOR-INIZCTEOSA-N 1 2 340.456 3.359 40 0 EGABLO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCC[N@H+]2Cc2cscn2)n1 ZINC000257265627 244361365 /nfs/dbraw/zinc/36/13/65/244361365.db2.gz LZNTXJDQJLCLOR-INIZCTEOSA-N 1 2 340.456 3.359 40 0 EGABLO Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3coc4cc(C)ccc34)C2)[nH+]1 ZINC000257261151 244346994 /nfs/dbraw/zinc/34/69/94/244346994.db2.gz LFYVUUBUNQVZGG-OAHLLOKOSA-N 1 2 337.423 3.342 40 0 EGABLO Fc1cccc(C[N@@H+]2CCO[C@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000019374363 212024068 /nfs/dbraw/zinc/02/40/68/212024068.db2.gz MOBYCGDDCLARIR-KRWDZBQOSA-N 1 2 339.370 3.449 40 0 EGABLO Fc1cccc(C[N@H+]2CCO[C@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000019374363 212024073 /nfs/dbraw/zinc/02/40/73/212024073.db2.gz MOBYCGDDCLARIR-KRWDZBQOSA-N 1 2 339.370 3.449 40 0 EGABLO Cc1[nH+]c(C2CCN(C(=O)CCc3ccno3)CC2)c2sccn12 ZINC000019240809 212008970 /nfs/dbraw/zinc/00/89/70/212008970.db2.gz ZXPKIRIBOQPLIT-UHFFFAOYSA-N 1 2 344.440 3.031 40 0 EGABLO Cc1ccc(C(=O)N2CCc3n[nH]cc3C2)cc1Oc1cc[nH+]cc1 ZINC000079361643 217215881 /nfs/dbraw/zinc/21/58/81/217215881.db2.gz HWTVLBOGCSRFQQ-UHFFFAOYSA-N 1 2 334.379 3.104 40 0 EGABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1Cc1cscn1 ZINC000257315561 295414817 /nfs/dbraw/zinc/41/48/17/295414817.db2.gz VBXVLLBIUDUFNT-OAHLLOKOSA-N 1 2 326.425 3.105 40 0 EGABLO Cc1cncc(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000097378543 323215669 /nfs/dbraw/zinc/21/56/69/323215669.db2.gz QPMBHMUOEJEBAH-HNNXBMFYSA-N 1 2 344.484 3.040 40 0 EGABLO S=C(NCCCn1cc[nH+]c1)Nc1cccc(Br)c1 ZINC000008104360 453161298 /nfs/dbraw/zinc/16/12/98/453161298.db2.gz OTPNFJMDFWBXKE-UHFFFAOYSA-N 1 2 339.262 3.022 40 0 EGABLO O=C(NCC[N@H+](Cc1ccoc1)Cc1ccccn1)c1cccs1 ZINC000013991093 453496837 /nfs/dbraw/zinc/49/68/37/453496837.db2.gz ZEOSQCMXIVKLFA-UHFFFAOYSA-N 1 2 341.436 3.168 40 0 EGABLO O=C(NCC[N@@H+](Cc1ccoc1)Cc1ccccn1)c1cccs1 ZINC000013991093 453496844 /nfs/dbraw/zinc/49/68/44/453496844.db2.gz ZEOSQCMXIVKLFA-UHFFFAOYSA-N 1 2 341.436 3.168 40 0 EGABLO CCc1ccccc1N1C(=O)C[C@H](Nc2ccc([NH+](C)C)cc2)C1=O ZINC000017877558 453638947 /nfs/dbraw/zinc/63/89/47/453638947.db2.gz TZRYBPAOVSHUIP-KRWDZBQOSA-N 1 2 337.423 3.059 40 0 EGABLO CCn1nc(C(C)C)cc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000019524126 453655980 /nfs/dbraw/zinc/65/59/80/453655980.db2.gz WNHOJXPYYRYACU-IBGZPJMESA-N 1 2 340.471 3.155 40 0 EGABLO CCn1nc(C(C)C)cc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000019524126 453655981 /nfs/dbraw/zinc/65/59/81/453655981.db2.gz WNHOJXPYYRYACU-IBGZPJMESA-N 1 2 340.471 3.155 40 0 EGABLO CCn1nc(C(C)C)cc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000019524125 453656167 /nfs/dbraw/zinc/65/61/67/453656167.db2.gz WNHOJXPYYRYACU-LJQANCHMSA-N 1 2 340.471 3.155 40 0 EGABLO CCn1nc(C(C)C)cc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000019524125 453656168 /nfs/dbraw/zinc/65/61/68/453656168.db2.gz WNHOJXPYYRYACU-LJQANCHMSA-N 1 2 340.471 3.155 40 0 EGABLO COc1ccccc1/C=C/C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000030855133 453839655 /nfs/dbraw/zinc/83/96/55/453839655.db2.gz IDEYAQYCBUODHF-ZHACJKMWSA-N 1 2 333.391 3.211 40 0 EGABLO Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@H](C)n3cc[nH+]c3)cc2)n1 ZINC000081741510 453906608 /nfs/dbraw/zinc/90/66/08/453906608.db2.gz MONIBUOPDRBWHB-CVEARBPZSA-N 1 2 337.427 3.124 40 0 EGABLO CC(C)Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccccc1N(C)C ZINC000075765056 453924683 /nfs/dbraw/zinc/92/46/83/453924683.db2.gz DBUUCGGXLHPQAL-GOSISDBHSA-N 1 2 327.476 3.337 40 0 EGABLO CC(C)Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccccc1N(C)C ZINC000075765056 453924685 /nfs/dbraw/zinc/92/46/85/453924685.db2.gz DBUUCGGXLHPQAL-GOSISDBHSA-N 1 2 327.476 3.337 40 0 EGABLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000044889244 454123522 /nfs/dbraw/zinc/12/35/22/454123522.db2.gz QEBKAYNGTZMAAQ-MRXNPFEDSA-N 1 2 327.334 3.218 40 0 EGABLO COC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045101 454268364 /nfs/dbraw/zinc/26/83/64/454268364.db2.gz XJEDNRZMFDXQET-OAHLLOKOSA-N 1 2 347.409 3.317 40 0 EGABLO COC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2ncn(CC3CC3)c21 ZINC000096045058 454268508 /nfs/dbraw/zinc/26/85/08/454268508.db2.gz RTOZELQKTALEOT-KRWDZBQOSA-N 1 2 341.455 3.048 40 0 EGABLO COC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2ncn(CC3CC3)c21 ZINC000096045058 454268510 /nfs/dbraw/zinc/26/85/10/454268510.db2.gz RTOZELQKTALEOT-KRWDZBQOSA-N 1 2 341.455 3.048 40 0 EGABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](COCC3CC3)C2)s1 ZINC000096044901 454268518 /nfs/dbraw/zinc/26/85/18/454268518.db2.gz HORXPEHLBSDPQF-OAHLLOKOSA-N 1 2 331.485 3.316 40 0 EGABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](COCC3CC3)C2)s1 ZINC000096044901 454268521 /nfs/dbraw/zinc/26/85/21/454268521.db2.gz HORXPEHLBSDPQF-OAHLLOKOSA-N 1 2 331.485 3.316 40 0 EGABLO O=C(CC1=CCCCC1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC000096207389 454304212 /nfs/dbraw/zinc/30/42/12/454304212.db2.gz DHTWVHDVXGOQAB-SFHVURJKSA-N 1 2 343.471 3.159 40 0 EGABLO c1csc(CN2CC[C@]3(C2)CCC[N@H+](Cc2nccs2)C3)n1 ZINC000096215719 454305053 /nfs/dbraw/zinc/30/50/53/454305053.db2.gz YZZSJCQBSSQJAB-MRXNPFEDSA-N 1 2 334.514 3.088 40 0 EGABLO c1csc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2nccs2)C3)n1 ZINC000096215719 454305060 /nfs/dbraw/zinc/30/50/60/454305060.db2.gz YZZSJCQBSSQJAB-MRXNPFEDSA-N 1 2 334.514 3.088 40 0 EGABLO C[C@@H](C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000096407608 454325657 /nfs/dbraw/zinc/32/56/57/454325657.db2.gz SPMMPVKAUCXRAA-WFASDCNBSA-N 1 2 335.860 3.414 40 0 EGABLO Cc1ccccc1CC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000096413887 454330567 /nfs/dbraw/zinc/33/05/67/454330567.db2.gz JBWJBSYDPGCIMQ-UHFFFAOYSA-N 1 2 338.451 3.317 40 0 EGABLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(SC)s2)C12CCCC2 ZINC000096419758 454335829 /nfs/dbraw/zinc/33/58/29/454335829.db2.gz XXGOUAYPXUHURK-NEPJUHHUSA-N 1 2 327.519 3.430 40 0 EGABLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(SC)s2)C12CCCC2 ZINC000096419758 454335835 /nfs/dbraw/zinc/33/58/35/454335835.db2.gz XXGOUAYPXUHURK-NEPJUHHUSA-N 1 2 327.519 3.430 40 0 EGABLO C[C@@H](NC(=O)c1cnn(C(C)(C)C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432111 454343055 /nfs/dbraw/zinc/34/30/55/454343055.db2.gz NNSQRTMEMZTINE-CQSZACIVSA-N 1 2 337.427 3.315 40 0 EGABLO Cc1ncc(CNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000096439564 454348284 /nfs/dbraw/zinc/34/82/84/454348284.db2.gz IHXQKGZTBQKVDY-LBPRGKRZSA-N 1 2 341.440 3.198 40 0 EGABLO Cc1ccc(CCNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000096440074 454349706 /nfs/dbraw/zinc/34/97/06/454349706.db2.gz DWBQPRBGWYUIOW-MRXNPFEDSA-N 1 2 349.438 3.179 40 0 EGABLO CC[N@H+](Cc1ccoc1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000096483152 454365075 /nfs/dbraw/zinc/36/50/75/454365075.db2.gz VHQNBIXPYKRAOK-AWEZNQCLSA-N 1 2 337.217 3.091 40 0 EGABLO CC[N@@H+](Cc1ccoc1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000096483152 454365083 /nfs/dbraw/zinc/36/50/83/454365083.db2.gz VHQNBIXPYKRAOK-AWEZNQCLSA-N 1 2 337.217 3.091 40 0 EGABLO O=C(NCCn1cc[nH+]c1)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000091032426 454366621 /nfs/dbraw/zinc/36/66/21/454366621.db2.gz BHAPELVRIRIYSM-UHFFFAOYSA-N 1 2 348.406 3.307 40 0 EGABLO CCn1cc[nH+]c1-c1cccc(NC(=O)c2cnc3c(c2)ncn3C)c1 ZINC000096499921 454372146 /nfs/dbraw/zinc/37/21/46/454372146.db2.gz PCPDUXNJFBLWKB-UHFFFAOYSA-N 1 2 346.394 3.104 40 0 EGABLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CCCc2sccc21 ZINC000096503253 454373664 /nfs/dbraw/zinc/37/36/64/454373664.db2.gz GWWGRVWZFIWILX-HNNXBMFYSA-N 1 2 344.484 3.200 40 0 EGABLO COc1cc(NC2CC[NH+](Cc3nccs3)CC2)cc(OC)c1 ZINC000135207672 454647285 /nfs/dbraw/zinc/64/72/85/454647285.db2.gz KHQBXPOFKDWWHZ-UHFFFAOYSA-N 1 2 333.457 3.237 40 0 EGABLO CCc1nc2ccccc2n1C1CC[NH+](Cc2noc(C)n2)CC1 ZINC000093299825 454700592 /nfs/dbraw/zinc/70/05/92/454700592.db2.gz LOGVUNUAIPFEAF-UHFFFAOYSA-N 1 2 325.416 3.127 40 0 EGABLO C[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)[C@H](c2ccccc2)CO1 ZINC000185014733 455486965 /nfs/dbraw/zinc/48/69/65/455486965.db2.gz QMNRRMZUXJTQSL-KUHUBIRLSA-N 1 2 338.411 3.037 40 0 EGABLO C[C@@H]1C[N@@H+](Cc2cc(-c3cnn(C)c3)no2)[C@H](c2ccccc2)CO1 ZINC000185014733 455486970 /nfs/dbraw/zinc/48/69/70/455486970.db2.gz QMNRRMZUXJTQSL-KUHUBIRLSA-N 1 2 338.411 3.037 40 0 EGABLO CN(C)c1cc([C@@H]2CCCN2C(=O)COc2ccccc2F)cc[nH+]1 ZINC000257288162 455882805 /nfs/dbraw/zinc/88/28/05/455882805.db2.gz PTCXWATWZUOIDR-INIZCTEOSA-N 1 2 343.402 3.029 40 0 EGABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2Cc2csc(C)n2)c1 ZINC000257284323 455882918 /nfs/dbraw/zinc/88/29/18/455882918.db2.gz PCFOFCQAIFWOPT-QGZVFWFLSA-N 1 2 340.452 3.414 40 0 EGABLO CNc1cc([C@@H]2CCCN2C(=O)c2cc(F)ccc2OC)cc[nH+]1 ZINC000257299925 455886350 /nfs/dbraw/zinc/88/63/50/455886350.db2.gz RSESILSRKFRLHZ-HNNXBMFYSA-N 1 2 329.375 3.248 40 0 EGABLO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2F)n1 ZINC000257328015 455892687 /nfs/dbraw/zinc/89/26/87/455892687.db2.gz XDTXZRAZXAFSEI-GOSISDBHSA-N 1 2 345.393 3.333 40 0 EGABLO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2cccc(F)c2F)n1 ZINC000257328015 455892694 /nfs/dbraw/zinc/89/26/94/455892694.db2.gz XDTXZRAZXAFSEI-GOSISDBHSA-N 1 2 345.393 3.333 40 0 EGABLO CCc1nc2ccc(NC(=S)NCCCn3cc[nH+]c3)cc2s1 ZINC000225207987 456075358 /nfs/dbraw/zinc/07/53/58/456075358.db2.gz VSVRSNZENRAYNZ-UHFFFAOYSA-N 1 2 345.497 3.432 40 0 EGABLO Cn1cc[nH+]c1[C@H]1N(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)CC1(C)C ZINC000296990812 456085973 /nfs/dbraw/zinc/08/59/73/456085973.db2.gz SPMMDDZANNGFKM-YESZJQIVSA-N 1 2 338.455 3.316 40 0 EGABLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]1c1ccsc1 ZINC000263806123 456229454 /nfs/dbraw/zinc/22/94/54/456229454.db2.gz RYXRCACGSZETHZ-OAHLLOKOSA-N 1 2 330.457 3.328 40 0 EGABLO CC(C)[N@@H+]1CC[C@@H](CC(=O)[O-])[C@@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1 ZINC000514288638 458797820 /nfs/dbraw/zinc/79/78/20/458797820.db2.gz JQIZMQVXNWIKIW-STQMWFEESA-N 1 2 333.407 3.066 40 0 biogenic,in-vitro EGABLO CC(C)[N@H+]1CC[C@@H](CC(=O)[O-])[C@@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1 ZINC000514288638 458797823 /nfs/dbraw/zinc/79/78/23/458797823.db2.gz JQIZMQVXNWIKIW-STQMWFEESA-N 1 2 333.407 3.066 40 0 biogenic,in-vitro EGABLO Cc1cc(C(=O)Nc2ccccc2-c2cn3c([nH+]2)CCCC3)n(C)n1 ZINC000585150143 459831688 /nfs/dbraw/zinc/83/16/88/459831688.db2.gz CDFDDJUFQBOVNI-UHFFFAOYSA-N 1 2 335.411 3.181 40 0 EGABLO CN(C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CCCCC1 ZINC000054530765 535988718 /nfs/dbraw/zinc/98/87/18/535988718.db2.gz BUARSMDBPFXAFG-UHFFFAOYSA-N 1 2 349.906 3.253 40 0 EGABLO COc1ccc(CC(=O)N2Cc3[nH+]ccn3C[C@H]2c2ccccc2)cc1 ZINC000257275731 536826044 /nfs/dbraw/zinc/82/60/44/536826044.db2.gz NQRAVHCPYDSOSG-IBGZPJMESA-N 1 2 347.418 3.218 40 0 EGABLO CC[NH+](CC)[C@@H]1COc2c(C)c(C)c(Br)cc2C1=O ZINC000055125441 214276389 /nfs/dbraw/zinc/27/63/89/214276389.db2.gz LUUWJRSIDQXULQ-CYBMUJFWSA-N 1 2 326.234 3.351 40 0 EGABLO CCOCC(=O)Nc1c[nH+]c(C)n1-c1nc(-c2ccccc2)cs1 ZINC000035682911 213046540 /nfs/dbraw/zinc/04/65/40/213046540.db2.gz NQTWVJWDBYHFHC-UHFFFAOYSA-N 1 2 342.424 3.279 40 0 EGABLO COCCC(=O)N1CCC[C@H]1c1ccc(Nc2cccc(C)[nH+]2)cn1 ZINC000072353068 216162151 /nfs/dbraw/zinc/16/21/51/216162151.db2.gz RJXAESSLNGMCAI-KRWDZBQOSA-N 1 2 340.427 3.229 40 0 EGABLO Cn1nnc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)n1 ZINC000193476115 240178130 /nfs/dbraw/zinc/17/81/30/240178130.db2.gz UUPNCNPKISWRCV-ZDUSSCGKSA-N 1 2 327.354 3.106 40 0 EGABLO Cc1ccc2c(c1)c1c(n2C(=O)c2ccnn2C(F)F)CC[N@@H+](C)C1 ZINC000020528493 212143926 /nfs/dbraw/zinc/14/39/26/212143926.db2.gz WQPNJQULJVWHHU-UHFFFAOYSA-N 1 2 344.365 3.218 40 0 biogenic,in-vitro EGABLO Cc1ccc2c(c1)c1c(n2C(=O)c2ccnn2C(F)F)CC[N@H+](C)C1 ZINC000020528493 212143927 /nfs/dbraw/zinc/14/39/27/212143927.db2.gz WQPNJQULJVWHHU-UHFFFAOYSA-N 1 2 344.365 3.218 40 0 biogenic,in-vitro EGABLO Cc1ccc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000020494870 212140385 /nfs/dbraw/zinc/14/03/85/212140385.db2.gz XJTQDFPUEAJWSI-UHFFFAOYSA-N 1 2 335.407 3.184 40 0 EGABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](OCc1ccccn1)CCO2 ZINC000253598985 244031127 /nfs/dbraw/zinc/03/11/27/244031127.db2.gz JNYKDNSECNQWCA-KRWDZBQOSA-N 1 2 344.480 3.402 40 0 EGABLO Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)s1 ZINC000257204841 244130261 /nfs/dbraw/zinc/13/02/61/244130261.db2.gz AWMMQAAWWXJRMF-CQSZACIVSA-N 1 2 330.457 3.198 40 0 EGABLO Cc1[nH+]c(C2(C)CCN(C(=O)C3CCOCC3)CC2)c2sccn12 ZINC000257227135 244203875 /nfs/dbraw/zinc/20/38/75/244203875.db2.gz FNWGHOJDEQAXHZ-UHFFFAOYSA-N 1 2 347.484 3.011 40 0 EGABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2Cc2cncs2)cc1 ZINC000257234391 244224480 /nfs/dbraw/zinc/22/44/80/244224480.db2.gz GTHUYZJWOBSRQL-MRXNPFEDSA-N 1 2 326.425 3.105 40 0 EGABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)[nH+]1 ZINC000257240275 244243015 /nfs/dbraw/zinc/24/30/15/244243015.db2.gz HSVGWQJERKRGKN-ZDUSSCGKSA-N 1 2 340.402 3.369 40 0 EGABLO CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](c2[nH+]c(C)cn2C)C1 ZINC000257258484 244289327 /nfs/dbraw/zinc/28/93/27/244289327.db2.gz KUEZSZHXOUEZIG-OAHLLOKOSA-N 1 2 343.475 3.088 40 0 EGABLO Cc1nc([C@H]2CCCC[N@H+]2C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019754847 212062401 /nfs/dbraw/zinc/06/24/01/212062401.db2.gz MZVOUPXVUDGIQV-QGZVFWFLSA-N 1 2 342.418 3.011 40 0 EGABLO Cc1nc([C@H]2CCCC[N@@H+]2C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019754847 212062402 /nfs/dbraw/zinc/06/24/02/212062402.db2.gz MZVOUPXVUDGIQV-QGZVFWFLSA-N 1 2 342.418 3.011 40 0 EGABLO Cc1csc2c([C@H]3CCCN(C(=O)c4ccccn4)C3)[nH+]c(C)n12 ZINC000019240441 212008280 /nfs/dbraw/zinc/00/82/80/212008280.db2.gz WFWAJPZXPQSSPV-AWEZNQCLSA-N 1 2 340.452 3.427 40 0 EGABLO O=C(NCc1cn2c([nH+]1)CCCC2)c1cnc(-c2ccsc2)s1 ZINC000078999984 217171496 /nfs/dbraw/zinc/17/14/96/217171496.db2.gz XNCKUNNNRCTYKT-UHFFFAOYSA-N 1 2 344.465 3.334 40 0 EGABLO O=C(CCn1cncn1)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000080408360 217302493 /nfs/dbraw/zinc/30/24/93/217302493.db2.gz GQVMRLCGWYNIQZ-UHFFFAOYSA-N 1 2 338.415 3.231 40 0 EGABLO Cc1csc(NC(=O)C[NH+]2CCC(c3ccc(F)cc3)CC2)n1 ZINC000012113960 211292548 /nfs/dbraw/zinc/29/25/48/211292548.db2.gz AWXWIOYTIUXQNQ-UHFFFAOYSA-N 1 2 333.432 3.409 40 0 EGABLO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1F ZINC000057364005 132199965 /nfs/dbraw/zinc/19/99/65/132199965.db2.gz AIEYPKYZZSOLIS-UHFFFAOYSA-N 1 2 345.393 3.034 40 0 EGABLO Cc1ccc(C[N@@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)s1 ZINC000012667046 453390456 /nfs/dbraw/zinc/39/04/56/453390456.db2.gz QRZPDFSXPMKDKS-UHFFFAOYSA-N 1 2 340.452 3.241 40 0 EGABLO Cc1ccc(C[N@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)s1 ZINC000012667046 453390464 /nfs/dbraw/zinc/39/04/64/453390464.db2.gz QRZPDFSXPMKDKS-UHFFFAOYSA-N 1 2 340.452 3.241 40 0 EGABLO Cn1ncc2c1nc[nH+]c2SCc1csc(-c2ccccn2)n1 ZINC000012992573 453434811 /nfs/dbraw/zinc/43/48/11/453434811.db2.gz FRJTVCXMUVAGLT-UHFFFAOYSA-N 1 2 340.437 3.174 40 0 EGABLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000014185429 453515506 /nfs/dbraw/zinc/51/55/06/453515506.db2.gz STHDGHZSAIARMT-UHFFFAOYSA-N 1 2 339.439 3.353 40 0 EGABLO O=C(c1cc2c(cccc2F)[nH]1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000019402097 453656311 /nfs/dbraw/zinc/65/63/11/453656311.db2.gz DPCGCIVMPNJUEV-UHFFFAOYSA-N 1 2 338.386 3.055 40 0 EGABLO O=C(NCCc1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024049471 453723153 /nfs/dbraw/zinc/72/31/53/453723153.db2.gz DKRVDDCQQOVODK-UHFFFAOYSA-N 1 2 325.799 3.498 40 0 EGABLO O=C(NCc1[nH+]ccn1CCCc1ccccc1)[C@@H]1CCCS1 ZINC000081931273 453917997 /nfs/dbraw/zinc/91/79/97/453917997.db2.gz MQYBCWWCYQDOTF-INIZCTEOSA-N 1 2 329.469 3.028 40 0 EGABLO CN(C)c1ccc(Cl)cc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000077498095 454113762 /nfs/dbraw/zinc/11/37/62/454113762.db2.gz RNBOWKJGBXQXJL-UHFFFAOYSA-N 1 2 347.850 3.472 40 0 EGABLO O=C(NCCCCn1cc[nH+]c1)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000077550535 454121532 /nfs/dbraw/zinc/12/15/32/454121532.db2.gz ZEHXLBTVDICFQV-HZPDHXFCSA-N 1 2 332.835 3.172 40 0 EGABLO COc1cccc([C@@H](C)Nc2[nH+]cnc3c2cnn3-c2ccccn2)c1 ZINC000046088347 454216463 /nfs/dbraw/zinc/21/64/63/454216463.db2.gz YXQCJLNQXMRJII-CYBMUJFWSA-N 1 2 346.394 3.392 40 0 EGABLO CC[N@@H+](Cc1cccc(C)c1)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000058773103 454232730 /nfs/dbraw/zinc/23/27/30/454232730.db2.gz JYUORILDJBBSKZ-UHFFFAOYSA-N 1 2 343.471 3.275 40 0 EGABLO CC[N@H+](Cc1cccc(C)c1)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000058773103 454232735 /nfs/dbraw/zinc/23/27/35/454232735.db2.gz JYUORILDJBBSKZ-UHFFFAOYSA-N 1 2 343.471 3.275 40 0 EGABLO Fc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)cc1 ZINC000096041720 454267220 /nfs/dbraw/zinc/26/72/20/454267220.db2.gz IXVWJAHEDOMSDT-XUVXKRRUSA-N 1 2 342.414 3.169 40 0 EGABLO Fc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)cc1 ZINC000096041720 454267223 /nfs/dbraw/zinc/26/72/23/454267223.db2.gz IXVWJAHEDOMSDT-XUVXKRRUSA-N 1 2 342.414 3.169 40 0 EGABLO Fc1cccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)c1 ZINC000096042252 454268571 /nfs/dbraw/zinc/26/85/71/454268571.db2.gz OPMXFAQUDDRFHS-SLFFLAALSA-N 1 2 342.414 3.169 40 0 EGABLO Fc1cccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)c1 ZINC000096042252 454268574 /nfs/dbraw/zinc/26/85/74/454268574.db2.gz OPMXFAQUDDRFHS-SLFFLAALSA-N 1 2 342.414 3.169 40 0 EGABLO Fc1cccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC000096042178 454268584 /nfs/dbraw/zinc/26/85/84/454268584.db2.gz WJJBWQVUDOAEAX-SLFFLAALSA-N 1 2 342.414 3.169 40 0 EGABLO Fc1cccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC000096042178 454268589 /nfs/dbraw/zinc/26/85/89/454268589.db2.gz WJJBWQVUDOAEAX-SLFFLAALSA-N 1 2 342.414 3.169 40 0 EGABLO COC[C@H]1C[N@H+](Cc2ccc(F)cc2)Cc2nn(CC3CC3)cc21 ZINC000096060455 454276966 /nfs/dbraw/zinc/27/69/66/454276966.db2.gz HNMKPDXBESCCOY-MRXNPFEDSA-N 1 2 329.419 3.178 40 0 EGABLO COC[C@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2nn(CC3CC3)cc21 ZINC000096060455 454276969 /nfs/dbraw/zinc/27/69/69/454276969.db2.gz HNMKPDXBESCCOY-MRXNPFEDSA-N 1 2 329.419 3.178 40 0 EGABLO CC(C)OCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccccn1)CC2 ZINC000096259827 454314109 /nfs/dbraw/zinc/31/41/09/454314109.db2.gz IECDQDXEKIFOBV-UHFFFAOYSA-N 1 2 340.471 3.171 40 0 EGABLO CC(C)OCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccccn1)CC2 ZINC000096259827 454314116 /nfs/dbraw/zinc/31/41/16/454314116.db2.gz IECDQDXEKIFOBV-UHFFFAOYSA-N 1 2 340.471 3.171 40 0 EGABLO CCCCSCCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000096416424 454332583 /nfs/dbraw/zinc/33/25/83/454332583.db2.gz CANHYWMKECZHCY-UHFFFAOYSA-N 1 2 336.501 3.381 40 0 EGABLO C[C@@H](c1ccccc1F)[NH+]1CCN(C(=O)CCc2cscn2)CC1 ZINC000078915081 454337088 /nfs/dbraw/zinc/33/70/88/454337088.db2.gz SEZAELNORXNMAU-AWEZNQCLSA-N 1 2 347.459 3.120 40 0 EGABLO C[C@H](CNC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000096503001 454372520 /nfs/dbraw/zinc/37/25/20/454372520.db2.gz GXSLKYJJGXPHMX-OAHLLOKOSA-N 1 2 344.484 3.169 40 0 EGABLO CC(C)c1ocnc1C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000119025973 455120274 /nfs/dbraw/zinc/12/02/74/455120274.db2.gz IRIQGHQUEGJQFA-LBPRGKRZSA-N 1 2 337.445 3.020 40 0 EGABLO Fc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2COCc1ccccn1 ZINC000247489754 455611212 /nfs/dbraw/zinc/61/12/12/455611212.db2.gz BCFJCDPBGMIWPT-KRWDZBQOSA-N 1 2 342.414 3.028 40 0 EGABLO Cc1cncc(CO[C@H]2CCOC3(C[NH+](Cc4cccs4)C3)C2)c1 ZINC000247949606 455658689 /nfs/dbraw/zinc/65/86/89/455658689.db2.gz XRHHRLZRAKBSHT-KRWDZBQOSA-N 1 2 344.480 3.402 40 0 EGABLO Cc1ncc(C[N@@H+]2CCN(C)[C@@H](c3ccc(OC(C)C)cc3)C2)cn1 ZINC000257289706 455884149 /nfs/dbraw/zinc/88/41/49/455884149.db2.gz PZVWJGFEWHEQEX-HXUWFJFHSA-N 1 2 340.471 3.061 40 0 EGABLO Cc1ncc(C[N@H+]2CCN(C)[C@@H](c3ccc(OC(C)C)cc3)C2)cn1 ZINC000257289706 455884150 /nfs/dbraw/zinc/88/41/50/455884150.db2.gz PZVWJGFEWHEQEX-HXUWFJFHSA-N 1 2 340.471 3.061 40 0 EGABLO Cc1cc([C@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)nc(C)n1 ZINC000257300122 455886212 /nfs/dbraw/zinc/88/62/12/455886212.db2.gz RSYZFSIRXBPCEP-HXUWFJFHSA-N 1 2 334.423 3.215 40 0 EGABLO Cc1cc([C@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)nc(C)n1 ZINC000257300122 455886215 /nfs/dbraw/zinc/88/62/15/455886215.db2.gz RSYZFSIRXBPCEP-HXUWFJFHSA-N 1 2 334.423 3.215 40 0 EGABLO c1[nH]c(CN2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)c[nH+]1 ZINC000257331591 455894298 /nfs/dbraw/zinc/89/42/98/455894298.db2.gz XTNHDBVLZVEHMQ-CQSZACIVSA-N 1 2 341.444 3.127 40 0 EGABLO c1[nH]cc(CN2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)[nH+]1 ZINC000257331591 455894304 /nfs/dbraw/zinc/89/43/04/455894304.db2.gz XTNHDBVLZVEHMQ-CQSZACIVSA-N 1 2 341.444 3.127 40 0 EGABLO Cc1cc(N2CCC[C@@](C)(C(=O)Nc3ccccc3F)C2)nc[nH+]1 ZINC000257337397 455894830 /nfs/dbraw/zinc/89/48/30/455894830.db2.gz YSPWRQPMMFGPCG-GOSISDBHSA-N 1 2 328.391 3.169 40 0 EGABLO C[C@H]1C[N@H+](CCSc2nnc(-c3cc4ccccc4o3)o2)CCO1 ZINC000188323218 456043881 /nfs/dbraw/zinc/04/38/81/456043881.db2.gz WEMOHPNZLQPNPZ-LBPRGKRZSA-N 1 2 345.424 3.296 40 0 EGABLO C[C@H]1C[N@@H+](CCSc2nnc(-c3cc4ccccc4o3)o2)CCO1 ZINC000188323218 456043884 /nfs/dbraw/zinc/04/38/84/456043884.db2.gz WEMOHPNZLQPNPZ-LBPRGKRZSA-N 1 2 345.424 3.296 40 0 EGABLO COc1cccc(C(=O)NCCC[N@H+](C)c2ccc(C)cc2)c1OC ZINC000225049746 456071749 /nfs/dbraw/zinc/07/17/49/456071749.db2.gz VTBPLDWMVRLCQZ-UHFFFAOYSA-N 1 2 342.439 3.269 40 0 EGABLO COc1cccc(C(=O)NCCC[N@@H+](C)c2ccc(C)cc2)c1OC ZINC000225049746 456071751 /nfs/dbraw/zinc/07/17/51/456071751.db2.gz VTBPLDWMVRLCQZ-UHFFFAOYSA-N 1 2 342.439 3.269 40 0 EGABLO Fc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000225453155 456083935 /nfs/dbraw/zinc/08/39/35/456083935.db2.gz PLSNOIUISRFOGK-UHFFFAOYSA-N 1 2 326.400 3.498 40 0 EGABLO Oc1ccc2c(c1)[C@H](Nc1ccc(N3CCOCC3)c[nH+]1)CCC2 ZINC000333431296 456217045 /nfs/dbraw/zinc/21/70/45/456217045.db2.gz JRVQXAGCAJCCPK-GOSISDBHSA-N 1 2 325.412 3.113 40 0 EGABLO CC(C)(C)CC(=O)N1CCC[C@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257297023 534565172 /nfs/dbraw/zinc/56/51/72/534565172.db2.gz RFLATVJADYSHIS-SFHVURJKSA-N 1 2 345.487 3.014 40 0 EGABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171724152 534672166 /nfs/dbraw/zinc/67/21/66/534672166.db2.gz ACDJERFZDKGWFR-CQSZACIVSA-N 1 2 340.452 3.207 40 0 EGABLO CN(C)c1cc([C@H]2CCCN(C(=O)c3n[nH]c4ccccc43)C2)cc[nH+]1 ZINC000257255743 536145436 /nfs/dbraw/zinc/14/54/36/536145436.db2.gz KIRKVNUMXYZKHY-HNNXBMFYSA-N 1 2 349.438 3.044 40 0 EGABLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1C[C@@H]1c1ccccc1 ZINC000066317650 215032956 /nfs/dbraw/zinc/03/29/56/215032956.db2.gz UFYZDMJVNRAFRX-UXHICEINSA-N 1 2 331.419 3.351 40 0 EGABLO c1c[nH]c(C[N@@H+]2CCC[C@@H](c3nccnc3Oc3ccccc3)C2)n1 ZINC000072362982 216170158 /nfs/dbraw/zinc/17/01/58/216170158.db2.gz OUCHQMWZKNHJLT-OAHLLOKOSA-N 1 2 335.411 3.372 40 0 EGABLO c1c[nH]c(C[N@H+]2CCC[C@@H](c3nccnc3Oc3ccccc3)C2)n1 ZINC000072362982 216170160 /nfs/dbraw/zinc/17/01/60/216170160.db2.gz OUCHQMWZKNHJLT-OAHLLOKOSA-N 1 2 335.411 3.372 40 0 EGABLO c1c[nH+]c(CN2CCC[C@@H](c3nccnc3Oc3ccccc3)C2)[nH]1 ZINC000072362982 216170163 /nfs/dbraw/zinc/17/01/63/216170163.db2.gz OUCHQMWZKNHJLT-OAHLLOKOSA-N 1 2 335.411 3.372 40 0 EGABLO CCCc1[nH+]c2ccccc2n1CCS(=O)(=O)Oc1ccccc1 ZINC000023296056 212366633 /nfs/dbraw/zinc/36/66/33/212366633.db2.gz GUEHYLYWDSTINN-UHFFFAOYSA-N 1 2 344.436 3.398 40 0 EGABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)c1ccccc1Cl ZINC000206732813 241050103 /nfs/dbraw/zinc/05/01/03/241050103.db2.gz PWELAKRFJKGGKE-UHFFFAOYSA-N 1 2 345.834 3.049 40 0 EGABLO O=C(Nc1ccc(F)cc1NC1CC1)C1CC[NH+](CC(F)F)CC1 ZINC000253418657 243947142 /nfs/dbraw/zinc/94/71/42/243947142.db2.gz XBURUTNQRWBVFY-UHFFFAOYSA-N 1 2 341.377 3.316 40 0 EGABLO COc1ccccc1/C=C/C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020455779 212132085 /nfs/dbraw/zinc/13/20/85/212132085.db2.gz ZESXTVWSXOAUIX-DHZHZOJOSA-N 1 2 333.391 3.211 40 0 EGABLO Cc1nc(C)c(C(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)s1 ZINC000257204840 244130082 /nfs/dbraw/zinc/13/00/82/244130082.db2.gz AWMMQAAWWXJRMF-AWEZNQCLSA-N 1 2 330.457 3.198 40 0 EGABLO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCC[N@@H+]3Cc3cncs3)n2)n1 ZINC000257226269 244201934 /nfs/dbraw/zinc/20/19/34/244201934.db2.gz FJYCJWMPRAFFMJ-HNNXBMFYSA-N 1 2 340.456 3.277 40 0 EGABLO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCC[N@H+]3Cc3cncs3)n2)n1 ZINC000257226269 244201940 /nfs/dbraw/zinc/20/19/40/244201940.db2.gz FJYCJWMPRAFFMJ-HNNXBMFYSA-N 1 2 340.456 3.277 40 0 EGABLO Cc1cc(C)nc([C@@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257255749 244282327 /nfs/dbraw/zinc/28/23/27/244282327.db2.gz KIRUNKLUKBIBCW-IBGZPJMESA-N 1 2 334.423 3.215 40 0 EGABLO Cc1cc(C)nc([C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257255749 244282332 /nfs/dbraw/zinc/28/23/32/244282332.db2.gz KIRUNKLUKBIBCW-IBGZPJMESA-N 1 2 334.423 3.215 40 0 EGABLO Fc1cc(C[NH+]2CC3(C2)CO[C@H](Cc2cncnc2)C3)ccc1Cl ZINC000257256636 244284832 /nfs/dbraw/zinc/28/48/32/244284832.db2.gz KMHQYUNVCDETRD-OAHLLOKOSA-N 1 2 347.821 3.103 40 0 EGABLO O=C(Nc1c(F)cccc1F)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020039300 212096363 /nfs/dbraw/zinc/09/63/63/212096363.db2.gz VMHBCOUMVQIVMZ-UHFFFAOYSA-N 1 2 332.350 3.049 40 0 EGABLO c1csc(CCN2CNC(Nc3nc4ccccc4s3)=[NH+]C2)c1 ZINC000019330752 212016979 /nfs/dbraw/zinc/01/69/79/212016979.db2.gz BTPDSIQCLWOOLM-UHFFFAOYSA-N 1 2 343.481 3.189 40 0 EGABLO O=C(c1ncoc1-c1cccs1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000078661790 217097238 /nfs/dbraw/zinc/09/72/38/217097238.db2.gz IKMBHBFGPIRKAX-NSHDSACASA-N 1 2 328.397 3.494 40 0 EGABLO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)NCc1ccco1 ZINC000015452155 211824794 /nfs/dbraw/zinc/82/47/94/211824794.db2.gz MHNVUSQRTBWBJJ-HNNXBMFYSA-N 1 2 341.436 3.343 40 0 EGABLO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)NCc1ccco1 ZINC000015452155 211824797 /nfs/dbraw/zinc/82/47/97/211824797.db2.gz MHNVUSQRTBWBJJ-HNNXBMFYSA-N 1 2 341.436 3.343 40 0 EGABLO Cc1c2c(c(C)n1-c1ccccc1)[C@]1([NH2+]CC2)c2ccccc2NC1=O ZINC000023873409 291601873 /nfs/dbraw/zinc/60/18/73/291601873.db2.gz FFSUVKGGVMSLSO-JOCHJYFZSA-N 1 2 343.430 3.436 40 0 EGABLO O=C(NCc1ccc[nH+]c1N1CCCCC1)N(CC1CC1)CC1CC1 ZINC000095397680 218329942 /nfs/dbraw/zinc/32/99/42/218329942.db2.gz HIKBZDMYMZCVGA-UHFFFAOYSA-N 1 2 342.487 3.404 40 0 EGABLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCc1[nH+]ccn1C ZINC000095440268 218384376 /nfs/dbraw/zinc/38/43/76/218384376.db2.gz AVCFOBLFNWNBHE-GFCCVEGCSA-N 1 2 335.477 3.211 40 0 EGABLO CCC(C)(C)n1nnnc1[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](C)C1 ZINC000004925247 210325602 /nfs/dbraw/zinc/32/56/02/210325602.db2.gz KIKRQLRYJQSANT-GOEBONIOSA-N 1 2 328.464 3.035 40 0 EGABLO CCC(C)(C)n1nnnc1[C@@H](c1cccnc1)[N@H+]1CCC[C@H](C)C1 ZINC000004925247 210325606 /nfs/dbraw/zinc/32/56/06/210325606.db2.gz KIKRQLRYJQSANT-GOEBONIOSA-N 1 2 328.464 3.035 40 0 EGABLO CCOC[C@@H]1CN(C(=O)c2ccsc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045126 286153110 /nfs/dbraw/zinc/15/31/10/286153110.db2.gz OUMRJSOJVSWWJE-HNNXBMFYSA-N 1 2 345.468 3.131 40 0 EGABLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@@H]2CCCc3sccc32)C1 ZINC000332923488 308846310 /nfs/dbraw/zinc/84/63/10/308846310.db2.gz WLQJJTXMCGHVPS-GXTWGEPZSA-N 1 2 330.457 3.058 40 0 EGABLO CC[C@@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000097374027 323215422 /nfs/dbraw/zinc/21/54/22/323215422.db2.gz BZZMJZFDHNQCFP-WDEREUQCSA-N 1 2 349.422 3.461 40 0 EGABLO Cn1nncc1CNc1[nH+]cccc1OCc1cccc(Cl)c1 ZINC000162410124 323223775 /nfs/dbraw/zinc/22/37/75/323223775.db2.gz VSSUXFPHRFWMLL-UHFFFAOYSA-N 1 2 329.791 3.055 40 0 EGABLO O=C(CC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000000408098 452579680 /nfs/dbraw/zinc/57/96/80/452579680.db2.gz IRSZUZSEKPHYHT-UHFFFAOYSA-N 1 2 326.415 3.216 40 0 EGABLO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1cc(Br)c[nH]1 ZINC000025175168 453760800 /nfs/dbraw/zinc/76/08/00/453760800.db2.gz VNFSVZVJHKCRTJ-UHFFFAOYSA-N 1 2 345.200 3.274 40 0 EGABLO Cc1ccc(NC(=O)NC(=O)C[N@H+](Cc2ccco2)C2CC2)c(C)c1 ZINC000026928330 453808408 /nfs/dbraw/zinc/80/84/08/453808408.db2.gz ZNABDBHDBVYQTR-UHFFFAOYSA-N 1 2 341.411 3.209 40 0 EGABLO Cc1ccc(NC(=O)NC(=O)C[N@@H+](Cc2ccco2)C2CC2)c(C)c1 ZINC000026928330 453808409 /nfs/dbraw/zinc/80/84/09/453808409.db2.gz ZNABDBHDBVYQTR-UHFFFAOYSA-N 1 2 341.411 3.209 40 0 EGABLO O=C(NCc1[nH+]ccn1Cc1ccccc1)Nc1cccnc1Cl ZINC000075533744 453901230 /nfs/dbraw/zinc/90/12/30/453901230.db2.gz MSGQGENOVYFLDM-UHFFFAOYSA-N 1 2 341.802 3.302 40 0 EGABLO COc1ccc2[nH+]c(C)cc(OCC(=O)NCc3ccccc3)c2c1 ZINC000084739329 454008435 /nfs/dbraw/zinc/00/84/35/454008435.db2.gz TVFKOQNEHZEDOF-UHFFFAOYSA-N 1 2 336.391 3.247 40 0 EGABLO C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095435168 454211280 /nfs/dbraw/zinc/21/12/80/454211280.db2.gz SWICOHGJYICKPT-CYBMUJFWSA-N 1 2 339.420 3.325 40 0 EGABLO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4csc(C)n4)CC[C@@H]32)o1 ZINC000096041755 454266478 /nfs/dbraw/zinc/26/64/78/454266478.db2.gz FWSVDCAWSHDVMB-RCCFBDPRSA-N 1 2 348.468 3.302 40 0 EGABLO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4csc(C)n4)CC[C@@H]32)o1 ZINC000096041755 454266485 /nfs/dbraw/zinc/26/64/85/454266485.db2.gz FWSVDCAWSHDVMB-RCCFBDPRSA-N 1 2 348.468 3.302 40 0 EGABLO Fc1cccc(N2CCC[C@]3(C2)C[N@H+](Cc2ccco2)CCO3)c1 ZINC000096049068 454271670 /nfs/dbraw/zinc/27/16/70/454271670.db2.gz YVRXSYSTEAEJIB-LJQANCHMSA-N 1 2 330.403 3.290 40 0 EGABLO Fc1cccc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccco2)CCO3)c1 ZINC000096049068 454271674 /nfs/dbraw/zinc/27/16/74/454271674.db2.gz YVRXSYSTEAEJIB-LJQANCHMSA-N 1 2 330.403 3.290 40 0 EGABLO Cc1[nH+]c(N(C)C)ccc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072218780 454274882 /nfs/dbraw/zinc/27/48/82/454274882.db2.gz CFQXQUFJFRQHMX-UHFFFAOYSA-N 1 2 335.448 3.334 40 0 EGABLO c1ccc(C[N@H+]2CCc3c(COCc4ccncc4)cncc3C2)nc1 ZINC000096189432 454300239 /nfs/dbraw/zinc/30/02/39/454300239.db2.gz ZVSZXFZNPMYEFQ-UHFFFAOYSA-N 1 2 346.434 3.147 40 0 EGABLO c1ccc(C[N@@H+]2CCc3c(COCc4ccncc4)cncc3C2)nc1 ZINC000096189432 454300240 /nfs/dbraw/zinc/30/02/40/454300240.db2.gz ZVSZXFZNPMYEFQ-UHFFFAOYSA-N 1 2 346.434 3.147 40 0 EGABLO c1coc(C[N@@H+]2Cc3cn(CC4CC4)nc3[C@H](COCC3CC3)C2)c1 ZINC000096198171 454303217 /nfs/dbraw/zinc/30/32/17/454303217.db2.gz KMBSZSFRXXNMQI-SFHVURJKSA-N 1 2 341.455 3.412 40 0 EGABLO c1coc(C[N@H+]2Cc3cn(CC4CC4)nc3[C@H](COCC3CC3)C2)c1 ZINC000096198171 454303222 /nfs/dbraw/zinc/30/32/22/454303222.db2.gz KMBSZSFRXXNMQI-SFHVURJKSA-N 1 2 341.455 3.412 40 0 EGABLO CC[C@@H](C)c1cc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)on1 ZINC000096423625 454337738 /nfs/dbraw/zinc/33/77/38/454337738.db2.gz BZSBJZRDTGJOBB-LLVKDONJSA-N 1 2 331.416 3.481 40 0 EGABLO CC(C)Cn1cc[nH+]c1CNC(=O)NCc1coc2ccccc12 ZINC000096440325 454349914 /nfs/dbraw/zinc/34/99/14/454349914.db2.gz UDGUEYKLJFWNDJ-UHFFFAOYSA-N 1 2 326.400 3.285 40 0 EGABLO O=C(NCc1[nH+]ccn1CCc1ccccc1)[C@H]1C[C@H]1c1ccco1 ZINC000096459363 454358378 /nfs/dbraw/zinc/35/83/78/454358378.db2.gz JHFIILUQWSRPPO-SJORKVTESA-N 1 2 335.407 3.139 40 0 EGABLO O=C(c1ccccc1Br)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120900835 454362562 /nfs/dbraw/zinc/36/25/62/454362562.db2.gz NSESQUIUPOKGRC-CYBMUJFWSA-N 1 2 347.212 3.138 40 0 EGABLO Cn1cc[nH+]c1CNC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000096484392 454366720 /nfs/dbraw/zinc/36/67/20/454366720.db2.gz RLIBOUOVOYZWQM-UHFFFAOYSA-N 1 2 326.787 3.066 40 0 EGABLO Cc1nc(-c2cccs2)ccc1C(=O)NCCCn1cc[nH+]c1 ZINC000121141404 454396992 /nfs/dbraw/zinc/39/69/92/454396992.db2.gz MLSJZOSWUUZAQN-UHFFFAOYSA-N 1 2 326.425 3.135 40 0 EGABLO Cc1[nH+]c2ccccn2c1CN1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000097095909 454405375 /nfs/dbraw/zinc/40/53/75/454405375.db2.gz RIHXCCQBQSGCLS-SFHVURJKSA-N 1 2 349.434 3.117 40 0 EGABLO CN(Cc1ccco1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000134717703 454581667 /nfs/dbraw/zinc/58/16/67/454581667.db2.gz YUFXFQJEJPRTIC-IRXDYDNUSA-N 1 2 349.381 3.145 40 0 EGABLO CN(Cc1ccco1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000134717703 454581671 /nfs/dbraw/zinc/58/16/71/454581671.db2.gz YUFXFQJEJPRTIC-IRXDYDNUSA-N 1 2 349.381 3.145 40 0 EGABLO CCc1noc(CC)c1CNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000152489401 455126452 /nfs/dbraw/zinc/12/64/52/455126452.db2.gz HTTKUQVMQPQNJP-CYBMUJFWSA-N 1 2 329.448 3.438 40 0 EGABLO CCc1noc(CC)c1CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000152489401 455126457 /nfs/dbraw/zinc/12/64/57/455126457.db2.gz HTTKUQVMQPQNJP-CYBMUJFWSA-N 1 2 329.448 3.438 40 0 EGABLO Cc1nc(COC[C@@H]2CN(Cc3ccco3)Cc3c[nH+]cn32)cs1 ZINC000248022237 455672186 /nfs/dbraw/zinc/67/21/86/455672186.db2.gz JLKBGVJZMJLWJL-INIZCTEOSA-N 1 2 344.440 3.015 40 0 EGABLO c1ccc2nc(C[NH+]3CC4(C3)C[C@@H](OCC3CC3)CCO4)ccc2c1 ZINC000248341260 455704875 /nfs/dbraw/zinc/70/48/75/455704875.db2.gz WAZNSMYYIPRWSA-IBGZPJMESA-N 1 2 338.451 3.395 40 0 EGABLO CCc1nnc([C@@H]2C[N@H+](CCSC3CCCCC3)CCO2)o1 ZINC000252489437 455812483 /nfs/dbraw/zinc/81/24/83/455812483.db2.gz JRCKMPUAQBCCJF-AWEZNQCLSA-N 1 2 325.478 3.071 40 0 EGABLO CCc1nnc([C@@H]2C[N@@H+](CCSC3CCCCC3)CCO2)o1 ZINC000252489437 455812489 /nfs/dbraw/zinc/81/24/89/455812489.db2.gz JRCKMPUAQBCCJF-AWEZNQCLSA-N 1 2 325.478 3.071 40 0 EGABLO CSc1cccc(F)c1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000253395344 455838551 /nfs/dbraw/zinc/83/85/51/455838551.db2.gz TUUCLZSXJBYQHM-JSGCOSHPSA-N 1 2 333.432 3.467 40 0 EGABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2Cc2cscn2)cc1 ZINC000257215432 455880204 /nfs/dbraw/zinc/88/02/04/455880204.db2.gz CQCCOEHZQSNYJE-INIZCTEOSA-N 1 2 326.425 3.105 40 0 EGABLO CN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257314002 455888661 /nfs/dbraw/zinc/88/86/61/455888661.db2.gz UUZVWHSLKREPBM-INIZCTEOSA-N 1 2 334.423 3.304 40 0 EGABLO COc1ccccc1[C@@H]1C[N@H+](Cc2ccsc2)CCN1C(C)=O ZINC000257329309 455893234 /nfs/dbraw/zinc/89/32/34/455893234.db2.gz XJHRPDBCCULJND-KRWDZBQOSA-N 1 2 330.453 3.162 40 0 EGABLO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccsc2)CCN1C(C)=O ZINC000257329309 455893237 /nfs/dbraw/zinc/89/32/37/455893237.db2.gz XJHRPDBCCULJND-KRWDZBQOSA-N 1 2 330.453 3.162 40 0 EGABLO C[N@@H+]1CCC[C@H]1c1nc(C(=O)NCc2ccccc2)c2ccccn21 ZINC000306137163 456567748 /nfs/dbraw/zinc/56/77/48/456567748.db2.gz QNEZQUVZGYCERQ-KRWDZBQOSA-N 1 2 334.423 3.031 40 0 EGABLO C[N@H+]1CCC[C@H]1c1nc(C(=O)NCc2ccccc2)c2ccccn21 ZINC000306137163 456567756 /nfs/dbraw/zinc/56/77/56/456567756.db2.gz QNEZQUVZGYCERQ-KRWDZBQOSA-N 1 2 334.423 3.031 40 0 EGABLO Cc1ccc2[nH]c(C[C@H]3C[N@H+](CC4CC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289319 458797713 /nfs/dbraw/zinc/79/77/13/458797713.db2.gz PWVWXBUINAUZNS-HOTGVXAUSA-N 1 2 341.455 3.237 40 0 biogenic,in-vitro EGABLO Cc1ccc2[nH]c(C[C@H]3C[N@@H+](CC4CC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289319 458797718 /nfs/dbraw/zinc/79/77/18/458797718.db2.gz PWVWXBUINAUZNS-HOTGVXAUSA-N 1 2 341.455 3.237 40 0 biogenic,in-vitro EGABLO COCCc1c[nH+]c2n1CCN(Cc1ccc3ccccc3n1)[C@@H]2C ZINC000585096785 459823168 /nfs/dbraw/zinc/82/31/68/459823168.db2.gz AKSUMFSZOYATLF-OAHLLOKOSA-N 1 2 336.439 3.197 40 0 EGABLO CC[C@@H]1CC[C@@H](C(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)O1 ZINC000585141574 459829642 /nfs/dbraw/zinc/82/96/42/459829642.db2.gz VVJUQJYGGQKHNM-OWCLPIDISA-N 1 2 331.391 3.054 40 0 EGABLO Cc1cn(C(C)(C)C(=O)NCCc2ccc(OC(C)C)cc2)c[nH+]1 ZINC000585141808 459829823 /nfs/dbraw/zinc/82/98/23/459829823.db2.gz YTXXLXSNZULFFN-UHFFFAOYSA-N 1 2 329.444 3.073 40 0 EGABLO CC(C)C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 ZINC000257254488 535114655 /nfs/dbraw/zinc/11/46/55/535114655.db2.gz KDGLPBRHBLYWPA-LJQANCHMSA-N 1 2 347.434 3.200 40 0 EGABLO CC(C)C[N@H+]1CCO[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 ZINC000257254488 535114661 /nfs/dbraw/zinc/11/46/61/535114661.db2.gz KDGLPBRHBLYWPA-LJQANCHMSA-N 1 2 347.434 3.200 40 0 EGABLO COc1ccc(CC(=O)N2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)cc1 ZINC000257275732 536825513 /nfs/dbraw/zinc/82/55/13/536825513.db2.gz NQRAVHCPYDSOSG-LJQANCHMSA-N 1 2 347.418 3.218 40 0 EGABLO Cc1cc(C)c(-c2cc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)n[nH]2)cc1C ZINC000137777199 546844639 /nfs/dbraw/zinc/84/46/39/546844639.db2.gz FXYCFIAZXNCYLI-OAHLLOKOSA-N 1 2 349.438 3.400 40 0 EGABLO Cc1cc(CNc2ccc(F)c(S(C)(=O)=O)c2)c2c([nH+]1)CCCC2 ZINC000902594584 1317597414 /nfs/dbraw/zinc/59/74/14/1317597414.db2.gz MRXMLGFPVJPUSW-UHFFFAOYSA-N 1 2 348.443 3.424 40 0 EGABLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC000866247988 1330085018 /nfs/dbraw/zinc/08/50/18/1330085018.db2.gz NFNXXKJHOJRJJE-CABCVRRESA-N 1 2 343.818 3.349 40 0 EGABLO CCc1cc(NCCCn2cc[nH+]c2)n2nc3nc(C)cc(C)c3c2n1 ZINC000072347824 216160222 /nfs/dbraw/zinc/16/02/22/216160222.db2.gz WOJBBUWIGFLMFZ-UHFFFAOYSA-N 1 2 349.442 3.155 40 0 EGABLO CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000072961433 216332882 /nfs/dbraw/zinc/33/28/82/216332882.db2.gz JZCYPTBHRXZAEJ-UHFFFAOYSA-N 1 2 345.668 3.203 40 0 EGABLO CC[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1nc(C(F)(F)F)cs1 ZINC000073277684 216373220 /nfs/dbraw/zinc/37/32/20/216373220.db2.gz RJJMZPZQEBMCMQ-IUCAKERBSA-N 1 2 332.351 3.187 40 0 EGABLO Cc1ccc(OCCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000023774050 212394905 /nfs/dbraw/zinc/39/49/05/212394905.db2.gz DXCNFTVJMPKINJ-HXUWFJFHSA-N 1 2 349.434 3.403 40 0 EGABLO O=C(Nc1ccc(F)cc1F)c1cccc(C[NH+]2CCOCC2)c1 ZINC000022531681 212306211 /nfs/dbraw/zinc/30/62/11/212306211.db2.gz ISIKTJYTHAOEEJ-UHFFFAOYSA-N 1 2 332.350 3.049 40 0 EGABLO COc1cc(CNCC[NH+](C)C)ccc1OCc1ccccc1F ZINC000022075286 212276944 /nfs/dbraw/zinc/27/69/44/212276944.db2.gz ZZKWSXOAUQCRPM-UHFFFAOYSA-N 1 2 332.419 3.065 40 0 EGABLO C[C@@H]1C[C@H]1[C@@H](NC(=O)NCc1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000195531387 240987863 /nfs/dbraw/zinc/98/78/63/240987863.db2.gz KEJWUGLEMWBICE-XFJVYGCCSA-N 1 2 332.835 3.270 40 0 EGABLO Cc1ccc(C)c(C(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)c1 ZINC000224352749 241752364 /nfs/dbraw/zinc/75/23/64/241752364.db2.gz ZIVVJKLNKKSYQV-UHFFFAOYSA-N 1 2 339.443 3.012 40 0 EGABLO CCOC[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2c[nH+]cn21 ZINC000253386027 243886598 /nfs/dbraw/zinc/88/65/98/243886598.db2.gz VHZZLUUIDRKEGM-HNNXBMFYSA-N 1 2 341.436 3.331 40 0 EGABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](OCc1cccnc1)CCO2 ZINC000253599678 244031440 /nfs/dbraw/zinc/03/14/40/244031440.db2.gz SQKHLVAYIXSJPW-KRWDZBQOSA-N 1 2 344.480 3.402 40 0 EGABLO Fc1cccc(-c2cccc([C@H]3CN(Cc4[nH]cc[nH+]4)CCO3)n2)c1 ZINC000257200089 244114081 /nfs/dbraw/zinc/11/40/81/244114081.db2.gz ABYGPVWVZGQIIL-GOSISDBHSA-N 1 2 338.386 3.184 40 0 EGABLO Cc1cn(C)c([C@H]2CCN(C(=O)Cc3ccc4ccccc4c3)C2)[nH+]1 ZINC000257322883 244523832 /nfs/dbraw/zinc/52/38/32/244523832.db2.gz WHUROUPIPHJPMN-IBGZPJMESA-N 1 2 333.435 3.440 40 0 EGABLO C[C@@H](c1ccccc1F)[NH+]1CCN(C(=O)CCc2cccnc2)CC1 ZINC000078915069 217147139 /nfs/dbraw/zinc/14/71/39/217147139.db2.gz PDSXCXGFIZTKNM-INIZCTEOSA-N 1 2 341.430 3.059 40 0 EGABLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c(C)s1 ZINC000079353035 217213319 /nfs/dbraw/zinc/21/33/19/217213319.db2.gz WKVGMYFWWMOGCA-CQSZACIVSA-N 1 2 329.469 3.279 40 0 EGABLO CC(=O)N[C@@H](C)C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000080408399 217302726 /nfs/dbraw/zinc/30/27/26/217302726.db2.gz NWQUOOPZIGTDDT-NSHDSACASA-N 1 2 328.416 3.074 40 0 EGABLO Cc1csc2c(C3CCN(C(=O)c4cscn4)CC3)[nH+]c(C)n12 ZINC000012087548 211287618 /nfs/dbraw/zinc/28/76/18/211287618.db2.gz MNVHSNIGCFEPRP-UHFFFAOYSA-N 1 2 346.481 3.489 40 0 EGABLO CS(=O)(=O)c1ccc(CNc2[nH+]ccc3ccc(F)cc32)cc1 ZINC000354568320 141307994 /nfs/dbraw/zinc/30/79/94/141307994.db2.gz YYBKJCMKJFNKLN-UHFFFAOYSA-N 1 2 330.384 3.390 40 0 EGABLO C[C@@H]1CCN(C(=O)Nc2cccc(OCCF)c2)C[C@H]1n1cc[nH+]c1 ZINC000123150193 222225138 /nfs/dbraw/zinc/22/51/38/222225138.db2.gz IRKHFQURCCYDAG-RHSMWYFYSA-N 1 2 346.406 3.346 40 0 EGABLO CN(C)[C@H](C[C@H](C(=O)c1ccccc1)[NH+](C)C)C(=O)c1ccccc1 ZINC000026532565 289366697 /nfs/dbraw/zinc/36/66/97/289366697.db2.gz VBJLWFXZQRWVRV-RTBURBONSA-N 1 2 338.451 3.003 40 0 EGABLO c1cn(CCCSc2ncnc3c2cnn3-c2ccccc2)c[nH+]1 ZINC000097235273 323215175 /nfs/dbraw/zinc/21/51/75/323215175.db2.gz RCLGJBHGYFCNCW-UHFFFAOYSA-N 1 2 336.424 3.194 40 0 EGABLO COc1ccc([C@H]2Nc3cc(Cl)ccc3C3=[NH+]CCN32)cc1O ZINC000012188513 453350106 /nfs/dbraw/zinc/35/01/06/453350106.db2.gz IBUGENINAQDTNP-INIZCTEOSA-N 1 2 329.787 3.241 40 0 EGABLO Cc1ccc(NC(=S)N2CC[NH+](Cc3ccco3)CC2)cc1C ZINC000013769461 453489011 /nfs/dbraw/zinc/48/90/11/453489011.db2.gz NNXYIHLMABJQCG-UHFFFAOYSA-N 1 2 329.469 3.411 40 0 EGABLO C[C@@H](C(=O)Nc1ncc(Cc2ccccc2F)s1)n1cc[nH+]c1 ZINC000019080764 453653328 /nfs/dbraw/zinc/65/33/28/453653328.db2.gz UWVOLPDTOYWNEV-NSHDSACASA-N 1 2 330.388 3.269 40 0 EGABLO Cc1ncc(-c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)nc3)cc2)o1 ZINC000024901803 453750836 /nfs/dbraw/zinc/75/08/36/453750836.db2.gz LDEUBKBETCIZDS-UHFFFAOYSA-N 1 2 345.362 3.483 40 0 EGABLO O=C(Cc1cn2ccccc2[nH+]1)Nc1cccc(Br)c1 ZINC000041284426 453961779 /nfs/dbraw/zinc/96/17/79/453961779.db2.gz QPBIEOQOHQPKID-UHFFFAOYSA-N 1 2 330.185 3.278 40 0 EGABLO O=C(c1cc2occc2[nH]1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000085472899 454030766 /nfs/dbraw/zinc/03/07/66/454030766.db2.gz RUQKBYPHJRZCOG-QPJJXVBHSA-N 1 2 335.407 3.232 40 0 EGABLO CSc1ncc(C[N@@H+](Cc2ccc(C)o2)C[C@@H]2CCCO2)cn1 ZINC000057811250 454148099 /nfs/dbraw/zinc/14/80/99/454148099.db2.gz RDNCMVNQRSLILG-HNNXBMFYSA-N 1 2 333.457 3.281 40 0 EGABLO CSc1ncc(C[N@H+](Cc2ccc(C)o2)C[C@@H]2CCCO2)cn1 ZINC000057811250 454148104 /nfs/dbraw/zinc/14/81/04/454148104.db2.gz RDNCMVNQRSLILG-HNNXBMFYSA-N 1 2 333.457 3.281 40 0 EGABLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc(F)cc(F)c1 ZINC000058565790 454215011 /nfs/dbraw/zinc/21/50/11/454215011.db2.gz YEOXBLDMEDNXFA-UHFFFAOYSA-N 1 2 329.350 3.443 40 0 EGABLO CCOc1cc([C@H]([NH3+])c2nc(-c3ccc(F)cc3)n[nH]2)ccc1OC ZINC000095534352 454230680 /nfs/dbraw/zinc/23/06/80/454230680.db2.gz QHUJCHFIYGWNRD-INIZCTEOSA-N 1 2 342.374 3.066 40 0 EGABLO CCn1ncc2c1[C@H](COCC1CC1)[N@H+](Cc1c(C)noc1C)CC2 ZINC000096044519 454268721 /nfs/dbraw/zinc/26/87/21/454268721.db2.gz ACTITDOTJRRNKD-SFHVURJKSA-N 1 2 344.459 3.034 40 0 EGABLO CCn1ncc2c1[C@H](COCC1CC1)[N@@H+](Cc1c(C)noc1C)CC2 ZINC000096044519 454268726 /nfs/dbraw/zinc/26/87/26/454268726.db2.gz ACTITDOTJRRNKD-SFHVURJKSA-N 1 2 344.459 3.034 40 0 EGABLO Fc1cccc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC000096049071 454271459 /nfs/dbraw/zinc/27/14/59/454271459.db2.gz SMPZJKGHRYHJGS-IBGZPJMESA-N 1 2 330.403 3.290 40 0 EGABLO Fc1cccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC000096049071 454271464 /nfs/dbraw/zinc/27/14/64/454271464.db2.gz SMPZJKGHRYHJGS-IBGZPJMESA-N 1 2 330.403 3.290 40 0 EGABLO Fc1cccc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccccn2)CCO3)c1 ZINC000096049084 454271651 /nfs/dbraw/zinc/27/16/51/454271651.db2.gz KEPIMVDONPWTAX-FQEVSTJZSA-N 1 2 341.430 3.092 40 0 EGABLO Fc1cccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccccn2)CCO3)c1 ZINC000096049084 454271655 /nfs/dbraw/zinc/27/16/55/454271655.db2.gz KEPIMVDONPWTAX-FQEVSTJZSA-N 1 2 341.430 3.092 40 0 EGABLO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216190 454273812 /nfs/dbraw/zinc/27/38/12/454273812.db2.gz PUZPTBAHYZBYGX-MRXNPFEDSA-N 1 2 347.459 3.380 40 0 EGABLO COc1ccccc1C[N@@H+]1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC000096109754 454285357 /nfs/dbraw/zinc/28/53/57/454285357.db2.gz OBOKOAWQEJWPMM-OAHLLOKOSA-N 1 2 341.455 3.395 40 0 EGABLO COc1ccccc1C[N@H+]1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC000096109754 454285363 /nfs/dbraw/zinc/28/53/63/454285363.db2.gz OBOKOAWQEJWPMM-OAHLLOKOSA-N 1 2 341.455 3.395 40 0 EGABLO CCOC[C@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)Cc2cn(C)nc21 ZINC000096197998 454301063 /nfs/dbraw/zinc/30/10/63/454301063.db2.gz NSQGSUSXJZKHGQ-CQSZACIVSA-N 1 2 337.826 3.349 40 0 EGABLO CCOC[C@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)Cc2cn(C)nc21 ZINC000096197998 454301069 /nfs/dbraw/zinc/30/10/69/454301069.db2.gz NSQGSUSXJZKHGQ-CQSZACIVSA-N 1 2 337.826 3.349 40 0 EGABLO C[N@@H+](Cc1cn2c(n1)CN(Cc1cccs1)CC2)Cc1ccco1 ZINC000096197463 454301203 /nfs/dbraw/zinc/30/12/03/454301203.db2.gz XDXJBSILCOOJHD-UHFFFAOYSA-N 1 2 342.468 3.185 40 0 EGABLO C[N@H+](Cc1cn2c(n1)CN(Cc1cccs1)CC2)Cc1ccco1 ZINC000096197463 454301209 /nfs/dbraw/zinc/30/12/09/454301209.db2.gz XDXJBSILCOOJHD-UHFFFAOYSA-N 1 2 342.468 3.185 40 0 EGABLO CCn1ncc2c1[C@@H](COCC1CC1)[N@H+](Cc1scnc1C)CC2 ZINC000096197847 454301693 /nfs/dbraw/zinc/30/16/93/454301693.db2.gz WPZIPLXQEITOFM-MRXNPFEDSA-N 1 2 346.500 3.194 40 0 EGABLO CCn1ncc2c1[C@@H](COCC1CC1)[N@@H+](Cc1scnc1C)CC2 ZINC000096197847 454301697 /nfs/dbraw/zinc/30/16/97/454301697.db2.gz WPZIPLXQEITOFM-MRXNPFEDSA-N 1 2 346.500 3.194 40 0 EGABLO c1cc(C[N@@H+]2CCc3onc(COc4cccnc4)c3C2)cs1 ZINC000096260056 454314504 /nfs/dbraw/zinc/31/45/04/454314504.db2.gz TTWREVWRUKVCBH-UHFFFAOYSA-N 1 2 327.409 3.268 40 0 EGABLO c1cc(C[N@H+]2CCc3onc(COc4cccnc4)c3C2)cs1 ZINC000096260056 454314508 /nfs/dbraw/zinc/31/45/08/454314508.db2.gz TTWREVWRUKVCBH-UHFFFAOYSA-N 1 2 327.409 3.268 40 0 EGABLO Cc1cccc2[nH+]c(CS(=O)(=O)Cc3cccc(Cl)c3)cn21 ZINC000096404562 454323216 /nfs/dbraw/zinc/32/32/16/454323216.db2.gz HYDIDJOEBQUVLP-UHFFFAOYSA-N 1 2 334.828 3.411 40 0 EGABLO CC[C@@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1F ZINC000096415408 454331512 /nfs/dbraw/zinc/33/15/12/454331512.db2.gz PNPFFWFLRXQJOZ-MRXNPFEDSA-N 1 2 348.397 3.448 40 0 EGABLO CC[C@H](C)C[C@H](C)NC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000096439783 454349360 /nfs/dbraw/zinc/34/93/60/454349360.db2.gz HKNHEUBHVVGAEJ-KBPBESRZSA-N 1 2 338.521 3.231 40 0 EGABLO OCC[C@H]1CCCCN1c1ccc(CNc2ccc(Cl)cn2)c[nH+]1 ZINC000096453591 454356503 /nfs/dbraw/zinc/35/65/03/454356503.db2.gz ICIULFSQALKXSP-MRXNPFEDSA-N 1 2 346.862 3.483 40 0 EGABLO CSc1cccc([C@H]([NH2+][C@@H]2CCNC2=O)c2ccc(F)cc2F)c1 ZINC000096482612 454365099 /nfs/dbraw/zinc/36/50/99/454365099.db2.gz CTSFUBFUTVQLIS-SJORKVTESA-N 1 2 348.418 3.254 40 0 EGABLO CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc(C)[nH+]c2C)o1 ZINC000162258905 454763040 /nfs/dbraw/zinc/76/30/40/454763040.db2.gz VKNQOZWUNPQRKZ-MRXNPFEDSA-N 1 2 329.400 3.459 40 0 EGABLO O=C(C[NH+]1Cc2ccccc2C1)Nc1ccc(Br)cc1 ZINC000155493961 455008290 /nfs/dbraw/zinc/00/82/90/455008290.db2.gz WZGDOAQYDBSEJM-UHFFFAOYSA-N 1 2 331.213 3.403 40 0 EGABLO O=C(NC[C@H](c1ccco1)[NH+]1CCSCC1)Nc1ccccc1F ZINC000244933260 455277892 /nfs/dbraw/zinc/27/78/92/455277892.db2.gz CJQFZJRREJRENM-OAHLLOKOSA-N 1 2 349.431 3.330 40 0 EGABLO Cc1ccc(C(=O)CC[N@H+]2CCSC[C@H]2c2cnn(C)c2)cc1 ZINC000191221364 455466577 /nfs/dbraw/zinc/46/65/77/455466577.db2.gz FQJFGKSAAJJGKA-KRWDZBQOSA-N 1 2 329.469 3.091 40 0 EGABLO Cc1ccc(C(=O)CC[N@@H+]2CCSC[C@H]2c2cnn(C)c2)cc1 ZINC000191221364 455466583 /nfs/dbraw/zinc/46/65/83/455466583.db2.gz FQJFGKSAAJJGKA-KRWDZBQOSA-N 1 2 329.469 3.091 40 0 EGABLO Cc1cccc(CO[C@H]2CSC3(C[NH+](Cc4nccs4)C3)C2)n1 ZINC000247897988 455653687 /nfs/dbraw/zinc/65/36/87/455653687.db2.gz YCLPDGKWOYZKOX-OAHLLOKOSA-N 1 2 347.509 3.123 40 0 EGABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](Oc1cccnc1)CCO2 ZINC000253599941 455854497 /nfs/dbraw/zinc/85/44/97/455854497.db2.gz YQHXFSMRIDHGBY-HNNXBMFYSA-N 1 2 330.453 3.264 40 0 EGABLO Cc1cccnc1Nc1nccnc1C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000257284803 455883163 /nfs/dbraw/zinc/88/31/63/455883163.db2.gz PEJQUHATHSRZIP-UHFFFAOYSA-N 1 2 349.442 3.026 40 0 EGABLO Fc1cc(F)cc(C[NH+]2CC3(C2)CO[C@@H](Cc2cccnc2)C3)c1 ZINC000257290301 455883835 /nfs/dbraw/zinc/88/38/35/455883835.db2.gz QCIMCLGEERMCDJ-SFHVURJKSA-N 1 2 330.378 3.193 40 0 EGABLO Cc1c[nH]c([C@@H]2COCCN2Cc2[nH]c3ccc(F)cc3c2C)[nH+]1 ZINC000257330553 455893284 /nfs/dbraw/zinc/89/32/84/455893284.db2.gz XOWVJUKXABZPEO-KRWDZBQOSA-N 1 2 328.391 3.220 40 0 EGABLO COc1ccc2cc(C[N@@H+]3CCO[C@@H](c4cnccn4)C3)ccc2c1 ZINC000257341414 455896039 /nfs/dbraw/zinc/89/60/39/455896039.db2.gz ZKERJYKJUIFVKU-HXUWFJFHSA-N 1 2 335.407 3.212 40 0 EGABLO COc1ccc2cc(C[N@H+]3CCO[C@@H](c4cnccn4)C3)ccc2c1 ZINC000257341414 455896040 /nfs/dbraw/zinc/89/60/40/455896040.db2.gz ZKERJYKJUIFVKU-HXUWFJFHSA-N 1 2 335.407 3.212 40 0 EGABLO Cc1cc2sc(NC(=O)NCCCn3cc[nH+]c3)nc2cc1F ZINC000280520538 455988928 /nfs/dbraw/zinc/98/89/28/455988928.db2.gz NYJWXTWGHFQHBH-UHFFFAOYSA-N 1 2 333.392 3.152 40 0 EGABLO Cc1ccccc1COC1CC[NH+]([C@H](C)c2nnnn2C2CC2)CC1 ZINC000225400522 456079884 /nfs/dbraw/zinc/07/98/84/456079884.db2.gz NOZZDSZWQMVGAN-OAHLLOKOSA-N 1 2 341.459 3.059 40 0 EGABLO COc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000225452798 456084171 /nfs/dbraw/zinc/08/41/71/456084171.db2.gz HNNGXPCFJMRQCJ-UHFFFAOYSA-N 1 2 338.436 3.368 40 0 EGABLO Cc1ccnn1-c1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000299607806 456742816 /nfs/dbraw/zinc/74/28/16/456742816.db2.gz YQDNLUOLKOBOCU-KRWDZBQOSA-N 1 2 335.411 3.271 40 0 EGABLO COC(=O)c1c2c(sc1NC(=O)c1ccccc1C)C[N@@H+](C)CC2 ZINC000408577354 457582723 /nfs/dbraw/zinc/58/27/23/457582723.db2.gz ZWUHPQALQFTJJM-UHFFFAOYSA-N 1 2 344.436 3.083 40 0 EGABLO COC(=O)c1c2c(sc1NC(=O)c1ccccc1C)C[N@H+](C)CC2 ZINC000408577354 457582728 /nfs/dbraw/zinc/58/27/28/457582728.db2.gz ZWUHPQALQFTJJM-UHFFFAOYSA-N 1 2 344.436 3.083 40 0 EGABLO CN1C(=O)S/C(=C/c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000408949796 457590153 /nfs/dbraw/zinc/59/01/53/457590153.db2.gz CGHTVJPFWHGBSA-RVDMUPIBSA-N 1 2 327.409 3.209 40 0 EGABLO C[C@H]1C[C@H](C)CN(C(=O)c2nc3c(o2)CC[N@H+](CC2CCCC2)C3)C1 ZINC000585112817 459826469 /nfs/dbraw/zinc/82/64/69/459826469.db2.gz VOWCQFLTUZTSQK-GJZGRUSLSA-N 1 2 345.487 3.341 40 0 EGABLO C[C@H]1C[C@H](C)CN(C(=O)c2nc3c(o2)CC[N@@H+](CC2CCCC2)C3)C1 ZINC000585112817 459826473 /nfs/dbraw/zinc/82/64/73/459826473.db2.gz VOWCQFLTUZTSQK-GJZGRUSLSA-N 1 2 345.487 3.341 40 0 EGABLO CN(C)c1cc([C@@H]2CCCN2C(=O)CCc2cc(Cl)no2)cc[nH+]1 ZINC000257242596 536144841 /nfs/dbraw/zinc/14/48/41/536144841.db2.gz IDGUCEMSJFIYLT-AWEZNQCLSA-N 1 2 348.834 3.085 40 0 EGABLO COc1ccccc1C[N@H+](CC(=O)NC1CC1)Cc1cccs1 ZINC000040161539 213276741 /nfs/dbraw/zinc/27/67/41/213276741.db2.gz DUFDGNUPWHQCLM-UHFFFAOYSA-N 1 2 330.453 3.038 40 0 EGABLO COc1ccccc1C[N@@H+](CC(=O)NC1CC1)Cc1cccs1 ZINC000040161539 213276744 /nfs/dbraw/zinc/27/67/44/213276744.db2.gz DUFDGNUPWHQCLM-UHFFFAOYSA-N 1 2 330.453 3.038 40 0 EGABLO Cc1cc(C)c(C)c(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000038755059 213224784 /nfs/dbraw/zinc/22/47/84/213224784.db2.gz AXQVYNQZCLOIMW-UHFFFAOYSA-N 1 2 349.434 3.493 40 0 EGABLO Fc1ccccc1Oc1cncc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000072384350 216185460 /nfs/dbraw/zinc/18/54/60/216185460.db2.gz XKWVRKVQWHATLD-HNNXBMFYSA-N 1 2 339.374 3.468 40 0 EGABLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc2c(c1)OCO2 ZINC000022289259 212288019 /nfs/dbraw/zinc/28/80/19/212288019.db2.gz URQPLPIARSKXHT-UHFFFAOYSA-N 1 2 345.424 3.110 40 0 EGABLO S=C(NCc1nc(-c2cccc(Cl)c2)no1)Nc1cc[nH+]cc1 ZINC000225834049 242056456 /nfs/dbraw/zinc/05/64/56/242056456.db2.gz VYLKFXPQXQEQFL-UHFFFAOYSA-N 1 2 345.815 3.272 40 0 EGABLO Cc1ccoc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000021669755 212238481 /nfs/dbraw/zinc/23/84/81/212238481.db2.gz YUPBXNASVJKMJK-CQSZACIVSA-N 1 2 329.787 3.494 40 0 EGABLO C[NH+]1CCN(C(=O)CSCc2ccc(Cl)c(Cl)c2)CC1 ZINC000020456531 212131996 /nfs/dbraw/zinc/13/19/96/212131996.db2.gz CTHVKWAUWNMDIT-UHFFFAOYSA-N 1 2 333.284 3.001 40 0 EGABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2Cc2cscn2)c1 ZINC000257229404 244207352 /nfs/dbraw/zinc/20/73/52/244207352.db2.gz FXYYAZQWSUNPRP-INIZCTEOSA-N 1 2 326.425 3.105 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc[nH+]1 ZINC000257259780 244292748 /nfs/dbraw/zinc/29/27/48/244292748.db2.gz KZYCDXIPMXHJPY-INIZCTEOSA-N 1 2 327.403 3.211 40 0 EGABLO Cc1cc(CC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc[nH+]1 ZINC000257266664 244364925 /nfs/dbraw/zinc/36/49/25/244364925.db2.gz MDZBSRGXNCOKKU-UHFFFAOYSA-N 1 2 338.407 3.214 40 0 EGABLO CCc1nnc(Nc2cccc([C@H]3C[N@@H+](C(C)C)CCO3)n2)s1 ZINC000257273650 244386281 /nfs/dbraw/zinc/38/62/81/244386281.db2.gz NHPFLIAMCMVTFL-CYBMUJFWSA-N 1 2 333.461 3.021 40 0 EGABLO CCc1nnc(Nc2cccc([C@H]3C[N@H+](C(C)C)CCO3)n2)s1 ZINC000257273650 244386289 /nfs/dbraw/zinc/38/62/89/244386289.db2.gz NHPFLIAMCMVTFL-CYBMUJFWSA-N 1 2 333.461 3.021 40 0 EGABLO CN(C)c1ncc(-c2c[nH+]cn2CCOc2ccc(Cl)cc2)cn1 ZINC000019719330 212056809 /nfs/dbraw/zinc/05/68/09/212056809.db2.gz TWFFCCWENAYHDM-UHFFFAOYSA-N 1 2 343.818 3.139 40 0 EGABLO CCn1c(C)[nH+]c2cc(NC(=O)CCc3nnc(C(C)C)o3)ccc21 ZINC000019657549 212054194 /nfs/dbraw/zinc/05/41/94/212054194.db2.gz JHVKEERWILYUDX-UHFFFAOYSA-N 1 2 341.415 3.442 40 0 EGABLO COc1ccccc1C(C)(C)[NH2+]Cc1nccn1CC(F)(F)F ZINC000078440876 217052785 /nfs/dbraw/zinc/05/27/85/217052785.db2.gz PYXDSOSVZNTPES-UHFFFAOYSA-N 1 2 327.350 3.479 40 0 EGABLO COC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000078992728 217167625 /nfs/dbraw/zinc/16/76/25/217167625.db2.gz OELZQNQVTXIAMY-MRXNPFEDSA-N 1 2 341.367 3.043 40 0 EGABLO CC(C)(C)C(=O)Nc1ccccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000079050376 217182021 /nfs/dbraw/zinc/18/20/21/217182021.db2.gz ZKGOPOLVHYOFFY-UHFFFAOYSA-N 1 2 342.443 3.078 40 0 EGABLO CCN(CC)c1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)[nH+]cn1 ZINC000079439997 217224419 /nfs/dbraw/zinc/22/44/19/217224419.db2.gz NZPRIUHUWPBVMV-UHFFFAOYSA-N 1 2 349.479 3.134 40 0 EGABLO CCN(CC)c1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)nc[nH+]1 ZINC000079439997 217224423 /nfs/dbraw/zinc/22/44/23/217224423.db2.gz NZPRIUHUWPBVMV-UHFFFAOYSA-N 1 2 349.479 3.134 40 0 EGABLO C[C@@H](Sc1[nH+]cnc2c1cnn2C)C(=O)c1c[nH]c2ccccc21 ZINC000011683375 211233721 /nfs/dbraw/zinc/23/37/21/211233721.db2.gz HSHOTKLMBHFURQ-SNVBAGLBSA-N 1 2 337.408 3.208 40 0 EGABLO Cc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)o1 ZINC000097374077 219017745 /nfs/dbraw/zinc/01/77/45/219017745.db2.gz JUJRHBKOHFTYLS-YGRLFVJLSA-N 1 2 337.217 3.228 40 0 EGABLO c1csc(C[N@@H+]2CCO[C@]3(CCCN(Cc4ccccn4)C3)C2)c1 ZINC000096074946 275074763 /nfs/dbraw/zinc/07/47/63/275074763.db2.gz ZJNGWVDGBZDTFY-IBGZPJMESA-N 1 2 343.496 3.010 40 0 EGABLO c1csc(C[N@H+]2CCO[C@]3(CCCN(Cc4ccccn4)C3)C2)c1 ZINC000096074946 275074764 /nfs/dbraw/zinc/07/47/64/275074764.db2.gz ZJNGWVDGBZDTFY-IBGZPJMESA-N 1 2 343.496 3.010 40 0 EGABLO C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000096409908 279924210 /nfs/dbraw/zinc/92/42/10/279924210.db2.gz BOVPVCIIMPUAJL-JXFKEZNVSA-N 1 2 347.418 3.475 40 0 EGABLO Cn1c(=O)c2c3c(sc2[nH]c1=S)C[N@H+](Cc1ccccc1)CC3 ZINC000014162721 294137846 /nfs/dbraw/zinc/13/78/46/294137846.db2.gz FSKAYZJGERPZGD-UHFFFAOYSA-N 1 2 343.477 3.216 40 0 EGABLO Cn1c(=O)c2c3c(sc2[nH]c1=S)C[N@@H+](Cc1ccccc1)CC3 ZINC000014162721 294137852 /nfs/dbraw/zinc/13/78/52/294137852.db2.gz FSKAYZJGERPZGD-UHFFFAOYSA-N 1 2 343.477 3.216 40 0 EGABLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)on1 ZINC000253369364 301147530 /nfs/dbraw/zinc/14/75/30/301147530.db2.gz BNZPHNPCONUVEA-RDJZCZTQSA-N 1 2 349.381 3.215 40 0 EGABLO Cc1cc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)on1 ZINC000253369364 301147532 /nfs/dbraw/zinc/14/75/32/301147532.db2.gz BNZPHNPCONUVEA-RDJZCZTQSA-N 1 2 349.381 3.215 40 0 EGABLO C[C@@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(F)cc1F ZINC000390835656 324283941 /nfs/dbraw/zinc/28/39/41/324283941.db2.gz UFEAIZISPCSIOH-LBPRGKRZSA-N 1 2 348.397 3.381 40 0 EGABLO C[C@@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(F)cc1F ZINC000390835656 324283945 /nfs/dbraw/zinc/28/39/45/324283945.db2.gz UFEAIZISPCSIOH-LBPRGKRZSA-N 1 2 348.397 3.381 40 0 EGABLO Cc1ccn2c(c1)[nH+]c(-c1ccc(O)cc1O)c2NC[C@H]1CCCO1 ZINC000000417369 452583539 /nfs/dbraw/zinc/58/35/39/452583539.db2.gz JTTMQHGPZJXUAK-CQSZACIVSA-N 1 2 339.395 3.312 40 0 EGABLO CC(=O)c1ccccc1OC[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000000810214 452637549 /nfs/dbraw/zinc/63/75/49/452637549.db2.gz OADIHEMUOPSZJV-MRXNPFEDSA-N 1 2 338.407 3.296 40 0 EGABLO Cc1cccc(NC(=S)N2CC[NH+](Cc3ccco3)CC2)c1C ZINC000013769460 453488636 /nfs/dbraw/zinc/48/86/36/453488636.db2.gz QLZKHYNANGXIIH-UHFFFAOYSA-N 1 2 329.469 3.411 40 0 EGABLO C[C@@H]1CCC[N@H+](Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000022892731 453701597 /nfs/dbraw/zinc/70/15/97/453701597.db2.gz UHSLMJIXAJGPFP-LLVKDONJSA-N 1 2 334.420 3.161 40 0 EGABLO C[C@@H]1CCC[N@@H+](Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000022892731 453701603 /nfs/dbraw/zinc/70/16/03/453701603.db2.gz UHSLMJIXAJGPFP-LLVKDONJSA-N 1 2 334.420 3.161 40 0 EGABLO Cc1ccsc1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000081931094 453917849 /nfs/dbraw/zinc/91/78/49/453917849.db2.gz VUVQNEPUULWLIG-UHFFFAOYSA-N 1 2 325.437 3.426 40 0 EGABLO O=C(c1cccs1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000044893181 454124241 /nfs/dbraw/zinc/12/42/41/454124241.db2.gz IYCUHDOSSBKYPO-UHFFFAOYSA-N 1 2 337.448 3.254 40 0 EGABLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc2ncccc21)c1ccccc1 ZINC000044893586 454124535 /nfs/dbraw/zinc/12/45/35/454124535.db2.gz BCKYGAZAWLMWNR-LJQANCHMSA-N 1 2 342.402 3.488 40 0 EGABLO CCOc1cc([C@H]([NH3+])c2nnc(-c3ccc(C)cc3)[nH]2)ccc1OC ZINC000095534456 454230265 /nfs/dbraw/zinc/23/02/65/454230265.db2.gz IDMXVPYMJUNPGJ-KRWDZBQOSA-N 1 2 338.411 3.236 40 0 EGABLO CCOc1cc([C@H]([NH3+])c2nc(-c3ccc(C)cc3)n[nH]2)ccc1OC ZINC000095534456 454230268 /nfs/dbraw/zinc/23/02/68/454230268.db2.gz IDMXVPYMJUNPGJ-KRWDZBQOSA-N 1 2 338.411 3.236 40 0 EGABLO Cc1cccc(NC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000059916422 454265015 /nfs/dbraw/zinc/26/50/15/454265015.db2.gz OYHKNEYCZWEJKD-UHFFFAOYSA-N 1 2 325.412 3.050 40 0 EGABLO Fc1cccc(N2CCC[C@]3(C2)C[N@H+](Cc2cccnc2)CCO3)c1 ZINC000096049086 454271753 /nfs/dbraw/zinc/27/17/53/454271753.db2.gz FYSNVCJXRIFMHZ-HXUWFJFHSA-N 1 2 341.430 3.092 40 0 EGABLO Fc1cccc(N2CCC[C@]3(C2)C[N@@H+](Cc2cccnc2)CCO3)c1 ZINC000096049086 454271755 /nfs/dbraw/zinc/27/17/55/454271755.db2.gz FYSNVCJXRIFMHZ-HXUWFJFHSA-N 1 2 341.430 3.092 40 0 EGABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@@H+](CC1CCCCC1)C2 ZINC000072337101 454293987 /nfs/dbraw/zinc/29/39/87/454293987.db2.gz NTQICVCKMDBURW-UHFFFAOYSA-N 1 2 326.444 3.251 40 0 EGABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@H+](CC1CCCCC1)C2 ZINC000072337101 454293991 /nfs/dbraw/zinc/29/39/91/454293991.db2.gz NTQICVCKMDBURW-UHFFFAOYSA-N 1 2 326.444 3.251 40 0 EGABLO COCC[N@@H+]1CCCC[C@H]1c1nc(C)cc(Nc2nccs2)n1 ZINC000072382448 454294376 /nfs/dbraw/zinc/29/43/76/454294376.db2.gz HGKZIGBABQEUKA-ZDUSSCGKSA-N 1 2 333.461 3.159 40 0 EGABLO COCC[N@H+]1CCCC[C@H]1c1nc(C)cc(Nc2nccs2)n1 ZINC000072382448 454294381 /nfs/dbraw/zinc/29/43/81/454294381.db2.gz HGKZIGBABQEUKA-ZDUSSCGKSA-N 1 2 333.461 3.159 40 0 EGABLO Cc1nc(COC[C@@H]2CC[C@H]3[C@H](CCN3c3cccc[nH+]3)O2)cs1 ZINC000096186142 454300419 /nfs/dbraw/zinc/30/04/19/454300419.db2.gz CTLTUAZGAQTQSN-ULQDDVLXSA-N 1 2 345.468 3.190 40 0 EGABLO CC(C)OCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccco1)CC2 ZINC000096259826 454313256 /nfs/dbraw/zinc/31/32/56/454313256.db2.gz OKMHVPQAPVIHEU-UHFFFAOYSA-N 1 2 329.444 3.369 40 0 EGABLO CC(C)OCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccco1)CC2 ZINC000096259826 454313259 /nfs/dbraw/zinc/31/32/59/454313259.db2.gz OKMHVPQAPVIHEU-UHFFFAOYSA-N 1 2 329.444 3.369 40 0 EGABLO Cc1[nH+]c2ccccn2c1Cn1nc(C2CC2)cc(C(F)(F)F)c1=O ZINC000096424881 454338667 /nfs/dbraw/zinc/33/86/67/454338667.db2.gz RRJOMIJBQCWVFA-UHFFFAOYSA-N 1 2 348.328 3.144 40 0 EGABLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccccc1N1CCCC1 ZINC000096433798 454344583 /nfs/dbraw/zinc/34/45/83/454344583.db2.gz YXGMVXVNZLRYMX-UHFFFAOYSA-N 1 2 341.459 3.461 40 0 EGABLO Cc1ccc(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)cn1 ZINC000096459376 454358471 /nfs/dbraw/zinc/35/84/71/454358471.db2.gz KYQGBZQAVKMMDX-UHFFFAOYSA-N 1 2 334.423 3.149 40 0 EGABLO COc1ccc(C[NH+]2CCN(Cc3cc(C)no3)CC2)cc1SC ZINC000096489511 454368785 /nfs/dbraw/zinc/36/87/85/454368785.db2.gz ISIQCQRMPMFLRH-UHFFFAOYSA-N 1 2 347.484 3.031 40 0 EGABLO COc1ccc(CN2CC[NH+](Cc3cc(C)no3)CC2)cc1SC ZINC000096489511 454368788 /nfs/dbraw/zinc/36/87/88/454368788.db2.gz ISIQCQRMPMFLRH-UHFFFAOYSA-N 1 2 347.484 3.031 40 0 EGABLO Clc1cc(Cl)cc(CN2CCC([NH2+]Cc3ccn[nH]3)CC2)c1 ZINC000096502328 454372644 /nfs/dbraw/zinc/37/26/44/454372644.db2.gz NIIHDZLXBGCFGW-UHFFFAOYSA-N 1 2 339.270 3.471 40 0 EGABLO CC(C)Cn1cc[nH+]c1CNC(=O)NCCc1cccc2[nH]ccc21 ZINC000252485570 455809446 /nfs/dbraw/zinc/80/94/46/455809446.db2.gz GYZWNBQQDBSRNQ-UHFFFAOYSA-N 1 2 339.443 3.062 40 0 EGABLO Cc1cc(N2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)nc[nH+]1 ZINC000257282667 455881792 /nfs/dbraw/zinc/88/17/92/455881792.db2.gz OUTDADWJOIONCW-HNNXBMFYSA-N 1 2 333.399 3.055 40 0 EGABLO Cc1cccc(Nc2nccnc2C2CC[NH+](Cc3ncc[nH]3)CC2)n1 ZINC000257292993 455883976 /nfs/dbraw/zinc/88/39/76/455883976.db2.gz QNSKRORANKOCJX-UHFFFAOYSA-N 1 2 349.442 3.026 40 0 EGABLO Cc1nccnc1CC[C@H]1COCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000257295764 455885173 /nfs/dbraw/zinc/88/51/73/455885173.db2.gz QZSOSTOIDUHOCX-IBGZPJMESA-N 1 2 348.450 3.167 40 0 EGABLO Cc1nccnc1CC[C@H]1COCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000257295764 455885175 /nfs/dbraw/zinc/88/51/75/455885175.db2.gz QZSOSTOIDUHOCX-IBGZPJMESA-N 1 2 348.450 3.167 40 0 EGABLO C[C@H](c1nc(-c2ccc(S(C)(=O)=O)cc2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000195574656 455987684 /nfs/dbraw/zinc/98/76/84/455987684.db2.gz OVBKRLBPLAVDNX-FRRDWIJNSA-N 1 2 349.456 3.074 40 0 EGABLO C[C@H](c1nc(-c2ccc(S(C)(=O)=O)cc2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000195574656 455987689 /nfs/dbraw/zinc/98/76/89/455987689.db2.gz OVBKRLBPLAVDNX-FRRDWIJNSA-N 1 2 349.456 3.074 40 0 EGABLO Fc1ccc(C2(CNC(=S)Nc3cc[nH+]cc3)CCOCC2)cc1 ZINC000224026598 456063465 /nfs/dbraw/zinc/06/34/65/456063465.db2.gz KZWKIDJQXQGORY-UHFFFAOYSA-N 1 2 345.443 3.256 40 0 EGABLO CC[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1c(C)noc1C ZINC000225483340 456087278 /nfs/dbraw/zinc/08/72/78/456087278.db2.gz MSDZMNNOBHMDFO-ZDUSSCGKSA-N 1 2 333.461 3.198 40 0 EGABLO CC[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1c(C)noc1C ZINC000225483340 456087281 /nfs/dbraw/zinc/08/72/81/456087281.db2.gz MSDZMNNOBHMDFO-ZDUSSCGKSA-N 1 2 333.461 3.198 40 0 EGABLO C[N@@H+]1CCC[C@@H]1c1nc(C(=O)NCc2ccccc2)c2ccccn21 ZINC000306137164 456567649 /nfs/dbraw/zinc/56/76/49/456567649.db2.gz QNEZQUVZGYCERQ-QGZVFWFLSA-N 1 2 334.423 3.031 40 0 EGABLO C[N@H+]1CCC[C@@H]1c1nc(C(=O)NCc2ccccc2)c2ccccn21 ZINC000306137164 456567656 /nfs/dbraw/zinc/56/76/56/456567656.db2.gz QNEZQUVZGYCERQ-QGZVFWFLSA-N 1 2 334.423 3.031 40 0 EGABLO COc1ccc(C[NH2+][C@H](c2nnc(C)[nH]2)c2ccccc2)cc1OC ZINC000069169025 215367778 /nfs/dbraw/zinc/36/77/78/215367778.db2.gz AYRVGELUWDESLB-SFHVURJKSA-N 1 2 338.411 3.010 40 0 EGABLO Cc1ncsc1C(=O)N1CC[N@@H+](Cc2ccco2)C[C@@H]1C(C)C ZINC000072324119 216151543 /nfs/dbraw/zinc/15/15/43/216151543.db2.gz SEVANPHFAKTKSW-OAHLLOKOSA-N 1 2 333.457 3.027 40 0 EGABLO Cc1ncsc1C(=O)N1CC[N@H+](Cc2ccco2)C[C@@H]1C(C)C ZINC000072324119 216151546 /nfs/dbraw/zinc/15/15/46/216151546.db2.gz SEVANPHFAKTKSW-OAHLLOKOSA-N 1 2 333.457 3.027 40 0 EGABLO Cc1nccc(-c2ccc(-c3noc(C[NH2+]Cc4ccco4)n3)cc2)n1 ZINC000072339984 216158451 /nfs/dbraw/zinc/15/84/51/216158451.db2.gz FFIZUTMVYBIFHV-UHFFFAOYSA-N 1 2 347.378 3.385 40 0 EGABLO Cc1ccc(C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(C)c2)c(=O)[nH]1 ZINC000193701370 240272487 /nfs/dbraw/zinc/27/24/87/240272487.db2.gz NWRWLEQJPCETGD-UHFFFAOYSA-N 1 2 335.363 3.431 40 0 EGABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)C2(c3ccccc3F)CC2)[nH+]1 ZINC000257201649 244121167 /nfs/dbraw/zinc/12/11/67/244121167.db2.gz AIKZQHOVTUFACO-INIZCTEOSA-N 1 2 327.403 3.263 40 0 EGABLO CNc1cc([C@@H]2CCCN(C(=O)CCc3cc(Cl)no3)C2)cc[nH+]1 ZINC000257232029 244216943 /nfs/dbraw/zinc/21/69/43/244216943.db2.gz GJCQWCWHHWXEFO-CYBMUJFWSA-N 1 2 348.834 3.104 40 0 EGABLO Cc1cccc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000257234354 244222375 /nfs/dbraw/zinc/22/23/75/244222375.db2.gz GTDWKRHDNQNSTG-HNNXBMFYSA-N 1 2 349.442 3.026 40 0 EGABLO Cc1cccc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000257234354 244222381 /nfs/dbraw/zinc/22/23/81/244222381.db2.gz GTDWKRHDNQNSTG-HNNXBMFYSA-N 1 2 349.442 3.026 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)CCOc3ccccc3)C2)cc[nH+]1 ZINC000257255858 244280448 /nfs/dbraw/zinc/28/04/48/244280448.db2.gz KJESLTPFYJBDDP-KRWDZBQOSA-N 1 2 339.439 3.298 40 0 EGABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)[nH+]1 ZINC000257271881 244380525 /nfs/dbraw/zinc/38/05/25/244380525.db2.gz NADYZOBPVGZOQP-AWEZNQCLSA-N 1 2 329.469 3.299 40 0 EGABLO CN(C(=O)c1ccc2ccccc2n1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257277628 244397549 /nfs/dbraw/zinc/39/75/49/244397549.db2.gz NYUCAHWNZNFKKD-KRWDZBQOSA-N 1 2 346.434 3.371 40 0 EGABLO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCN1C(=O)c1ccccn1 ZINC000019451483 212028327 /nfs/dbraw/zinc/02/83/27/212028327.db2.gz DAUBAVGOJQGWKS-LJQANCHMSA-N 1 2 341.430 3.203 40 0 EGABLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCN1C(=O)c1ccccn1 ZINC000019451483 212028329 /nfs/dbraw/zinc/02/83/29/212028329.db2.gz DAUBAVGOJQGWKS-LJQANCHMSA-N 1 2 341.430 3.203 40 0 EGABLO Cc1csc2c([C@H]3CCCN(C(=O)c4ccncc4)C3)[nH+]c(C)n12 ZINC000019240445 212009246 /nfs/dbraw/zinc/00/92/46/212009246.db2.gz ZNJRFJQQVYUSRS-HNNXBMFYSA-N 1 2 340.452 3.427 40 0 EGABLO Cc1csc2c(C3CCN(C(=O)c4ccncc4)CC3)[nH+]c(C)n12 ZINC000019240565 212008812 /nfs/dbraw/zinc/00/88/12/212008812.db2.gz MMFCLQJKXWNCCK-UHFFFAOYSA-N 1 2 340.452 3.427 40 0 EGABLO Cc1[nH+]c(C2CCN(C(=O)CC[C@H]3CCCO3)CC2)c2sccn12 ZINC000019240803 212008107 /nfs/dbraw/zinc/00/81/07/212008107.db2.gz ZEXCMNLCCRLRAR-OAHLLOKOSA-N 1 2 347.484 3.369 40 0 EGABLO C[C@H]1CCCC[C@H]1OCC(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000079040084 217180035 /nfs/dbraw/zinc/18/00/35/217180035.db2.gz ORSHXUHKJATBEK-FUHWJXTLSA-N 1 2 345.487 3.104 40 0 EGABLO O=C(Nc1ccccc1Br)C1CC[NH+](CC(F)F)CC1 ZINC000079090601 217190919 /nfs/dbraw/zinc/19/09/19/217190919.db2.gz YGUJZMQASANLIV-UHFFFAOYSA-N 1 2 347.203 3.365 40 0 EGABLO C[C@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CCCc2ccccc21 ZINC000079336436 217211464 /nfs/dbraw/zinc/21/14/64/217211464.db2.gz WSYDZGUDGLVFIY-NRFANRHFSA-N 1 2 346.434 3.178 40 0 EGABLO CCc1[nH]c2ccc(NC(=O)CCCn3nc(C)cc3C)cc2[nH+]1 ZINC000012147409 211308013 /nfs/dbraw/zinc/30/80/13/211308013.db2.gz CULQMHVMOIDKQD-UHFFFAOYSA-N 1 2 325.416 3.358 40 0 EGABLO O=C(CCCn1cc[nH+]c1)N[C@H](Cc1ccsc1)c1cccnc1 ZINC000012087904 211289786 /nfs/dbraw/zinc/28/97/86/211289786.db2.gz AUIVEECJKOGGFO-QGZVFWFLSA-N 1 2 340.452 3.220 40 0 EGABLO COc1ccc(NC(C)=O)cc1NCc1[nH+]ccn1CC(F)(F)F ZINC000096427388 218799231 /nfs/dbraw/zinc/79/92/31/218799231.db2.gz MYDKBLXNIJXZQD-UHFFFAOYSA-N 1 2 342.321 3.025 40 0 EGABLO Cc1cc(C)c(NC(=O)CNC(=O)Nc2cc[nH+]c(C)c2)c(C)c1 ZINC000119285606 221285144 /nfs/dbraw/zinc/28/51/44/221285144.db2.gz QMMBVPWNCLGJKU-UHFFFAOYSA-N 1 2 326.400 3.075 40 0 EGABLO Cc1cc(N2CC[C@@H]2c2cc(Nc3ncccc3C)nc(C)n2)nc[nH+]1 ZINC000072383981 301340876 /nfs/dbraw/zinc/34/08/76/301340876.db2.gz BAVZKOBAGXCCBQ-MRXNPFEDSA-N 1 2 347.426 3.282 40 0 EGABLO Cc1cccc(NC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)n1 ZINC000125039874 323217832 /nfs/dbraw/zinc/21/78/32/323217832.db2.gz AVCRNEJSGMCLTF-INIZCTEOSA-N 1 2 339.374 3.174 40 0 EGABLO Cn1c[nH+]cc1CSc1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000390835056 324284513 /nfs/dbraw/zinc/28/45/13/324284513.db2.gz BUUUQYKUJQMFIO-UHFFFAOYSA-N 1 2 335.820 3.063 40 0 EGABLO CO[C@@H]1C[C@@H](N(C)c2[nH+]cnc3c2cnn3-c2ccccc2)C12CCC2 ZINC000578604271 324992162 /nfs/dbraw/zinc/99/21/62/324992162.db2.gz USWJGONOKOCENY-IAGOWNOFSA-N 1 2 349.438 3.209 40 0 EGABLO C[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)[C@@H](c2ccccc2)CO1 ZINC000241707093 455269357 /nfs/dbraw/zinc/26/93/57/455269357.db2.gz QMNRRMZUXJTQSL-AUUYWEPGSA-N 1 2 338.411 3.037 40 0 EGABLO C[C@@H]1C[N@@H+](Cc2cc(-c3cnn(C)c3)no2)[C@@H](c2ccccc2)CO1 ZINC000241707093 455269361 /nfs/dbraw/zinc/26/93/61/455269361.db2.gz QMNRRMZUXJTQSL-AUUYWEPGSA-N 1 2 338.411 3.037 40 0 EGABLO Cc1ccc(NC(=S)N2CC[NH+](Cc3ccco3)CC2)c(C)c1 ZINC000013769465 453489285 /nfs/dbraw/zinc/48/92/85/453489285.db2.gz WRBVTKJWKFDCSS-UHFFFAOYSA-N 1 2 329.469 3.411 40 0 EGABLO Cc1cccc(NC(=O)Cn2c[nH+]c3cc4c(cc32)OCCCO4)c1 ZINC000014000646 453498184 /nfs/dbraw/zinc/49/81/84/453498184.db2.gz LZZSXPOYYZEVKW-UHFFFAOYSA-N 1 2 337.379 3.145 40 0 EGABLO O=C(Cn1cc[nH+]c1)Nc1cccc(CCc2nc3ccccc3[nH]2)c1 ZINC000019375824 453656818 /nfs/dbraw/zinc/65/68/18/453656818.db2.gz CAQOFFCTALXWEM-UHFFFAOYSA-N 1 2 345.406 3.183 40 0 EGABLO O=C(NCc1nc2ccccc2s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024049403 453722861 /nfs/dbraw/zinc/72/28/61/453722861.db2.gz CVEKSVUMCJPIEE-UHFFFAOYSA-N 1 2 334.404 3.412 40 0 EGABLO Cc1nc(C)c(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)s1 ZINC000029874587 453832338 /nfs/dbraw/zinc/83/23/38/453832338.db2.gz LLBCVJDSURLSPX-CQSZACIVSA-N 1 2 344.415 3.152 40 0 EGABLO CCOC(=O)N1CC[NH+](CCOc2ccc(CC(C)C)cc2)CC1 ZINC000031923349 453858486 /nfs/dbraw/zinc/85/84/86/453858486.db2.gz LFLGQJNBTLIUTB-UHFFFAOYSA-N 1 2 334.460 3.038 40 0 EGABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(Cl)c[nH]1)c1ccccc1F ZINC000032842342 453893717 /nfs/dbraw/zinc/89/37/17/453893717.db2.gz ZZEBTDQQAJSJKD-AWEZNQCLSA-N 1 2 332.766 3.060 40 0 EGABLO Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000055696197 454006773 /nfs/dbraw/zinc/00/67/73/454006773.db2.gz YNKYBXRAZLXMRQ-INIZCTEOSA-N 1 2 335.407 3.264 40 0 EGABLO CC[C@H](Oc1cccc2ccccc21)C(=O)NCCCn1cc[nH+]c1 ZINC000044903238 454125674 /nfs/dbraw/zinc/12/56/74/454125674.db2.gz PPIDYWJILCCXKL-SFHVURJKSA-N 1 2 337.423 3.400 40 0 EGABLO C[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000044947029 454127680 /nfs/dbraw/zinc/12/76/80/454127680.db2.gz AOAMZXKERXDTLP-OAHLLOKOSA-N 1 2 342.414 3.149 40 0 EGABLO CCOc1cc(-c2nnc([C@@H]([NH3+])c3ccc(F)cc3)[nH]2)ccc1OC ZINC000095533365 454229912 /nfs/dbraw/zinc/22/99/12/454229912.db2.gz ACBZSLYXFXQRFZ-INIZCTEOSA-N 1 2 342.374 3.066 40 0 EGABLO CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216191 454273866 /nfs/dbraw/zinc/27/38/66/454273866.db2.gz PUZPTBAHYZBYGX-INIZCTEOSA-N 1 2 347.459 3.380 40 0 EGABLO COC[C@@H]1C[N@H+](Cc2ccc(C)s2)Cc2nn(CC3CC3)cc21 ZINC000096060452 454276365 /nfs/dbraw/zinc/27/63/65/454276365.db2.gz CZZKWCRYYKMLIA-HNNXBMFYSA-N 1 2 331.485 3.409 40 0 EGABLO COC[C@@H]1C[N@@H+](Cc2ccc(C)s2)Cc2nn(CC3CC3)cc21 ZINC000096060452 454276370 /nfs/dbraw/zinc/27/63/70/454276370.db2.gz CZZKWCRYYKMLIA-HNNXBMFYSA-N 1 2 331.485 3.409 40 0 EGABLO COc1cccc(OC)c1C[N@@H+]1[C@@H]2CC[C@H]1c1cnc(C)nc1C2 ZINC000072340957 454294355 /nfs/dbraw/zinc/29/43/55/454294355.db2.gz LTNSOTLYYDDCDK-DYVFJYSZSA-N 1 2 325.412 3.064 40 0 EGABLO COc1cccc(OC)c1C[N@H+]1[C@@H]2CC[C@H]1c1cnc(C)nc1C2 ZINC000072340957 454294361 /nfs/dbraw/zinc/29/43/61/454294361.db2.gz LTNSOTLYYDDCDK-DYVFJYSZSA-N 1 2 325.412 3.064 40 0 EGABLO COc1ccccc1-c1ccc([C@H](C)[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000096424554 454338495 /nfs/dbraw/zinc/33/84/95/454338495.db2.gz RZQDFEOTBOTRPY-HNNXBMFYSA-N 1 2 347.480 3.400 40 0 EGABLO COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000096424554 454338498 /nfs/dbraw/zinc/33/84/98/454338498.db2.gz RZQDFEOTBOTRPY-HNNXBMFYSA-N 1 2 347.480 3.400 40 0 EGABLO CC(C)(C)Oc1c(F)cc(NC(=O)NCCn2cc[nH+]c2)cc1F ZINC000096501364 454372967 /nfs/dbraw/zinc/37/29/67/454372967.db2.gz BLLIBCHOKCTFCR-UHFFFAOYSA-N 1 2 338.358 3.160 40 0 EGABLO O=C(C[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)COC2)c1ccccc1 ZINC000097095937 454404907 /nfs/dbraw/zinc/40/49/07/454404907.db2.gz BBEOHLZSQCEFPD-HXUWFJFHSA-N 1 2 337.419 3.191 40 0 EGABLO O=C(C[C@@H]1COCC[N@H+]1Cc1ccc2c(c1)COC2)c1ccccc1 ZINC000097095937 454404910 /nfs/dbraw/zinc/40/49/10/454404910.db2.gz BBEOHLZSQCEFPD-HXUWFJFHSA-N 1 2 337.419 3.191 40 0 EGABLO O=C(NC[C@@H](c1ccco1)[NH+]1CCSCC1)Nc1cccs1 ZINC000244986319 455278450 /nfs/dbraw/zinc/27/84/50/455278450.db2.gz JQEABUZPERGJCF-LBPRGKRZSA-N 1 2 337.470 3.253 40 0 EGABLO O=C(N[C@@H]1CCC[C@H]1n1cc[nH+]c1)[C@H]1SCCc2sccc21 ZINC000245344122 455282490 /nfs/dbraw/zinc/28/24/90/455282490.db2.gz XQZYPOVJKVZMFC-NFAWXSAZSA-N 1 2 333.482 3.185 40 0 EGABLO Cc1ncsc1C[N@H+]1Cc2ccnn2[C@H](CCOCC2CC2)C1 ZINC000248027346 455672339 /nfs/dbraw/zinc/67/23/39/455672339.db2.gz KUXFDROQKHLSEF-MRXNPFEDSA-N 1 2 332.473 3.022 40 0 EGABLO Cc1ncsc1C[N@@H+]1Cc2ccnn2[C@H](CCOCC2CC2)C1 ZINC000248027346 455672343 /nfs/dbraw/zinc/67/23/43/455672343.db2.gz KUXFDROQKHLSEF-MRXNPFEDSA-N 1 2 332.473 3.022 40 0 EGABLO Cc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000253407623 455839958 /nfs/dbraw/zinc/83/99/58/455839958.db2.gz WRNTVJWZMNVUBL-MRXNPFEDSA-N 1 2 330.453 3.108 40 0 EGABLO Cc1ccccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000253406681 455840338 /nfs/dbraw/zinc/84/03/38/455840338.db2.gz UVQYIYNMBNOUCO-MRXNPFEDSA-N 1 2 345.468 3.500 40 0 EGABLO COCc1noc(C[N@@H+]2C[C@H](C)CC[C@@H]2c2ccccc2OC)n1 ZINC000253417488 455841623 /nfs/dbraw/zinc/84/16/23/455841623.db2.gz WMWBEAPQEUZFJO-UKRRQHHQSA-N 1 2 331.416 3.198 40 0 EGABLO COCc1noc(C[N@H+]2C[C@H](C)CC[C@@H]2c2ccccc2OC)n1 ZINC000253417488 455841631 /nfs/dbraw/zinc/84/16/31/455841631.db2.gz WMWBEAPQEUZFJO-UKRRQHHQSA-N 1 2 331.416 3.198 40 0 EGABLO COc1cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)ccc1O ZINC000194998458 455911031 /nfs/dbraw/zinc/91/10/31/455911031.db2.gz YRYRVWRLODIJNA-SFHVURJKSA-N 1 2 335.350 3.253 40 0 EGABLO COc1cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)ccc1O ZINC000194998458 455911036 /nfs/dbraw/zinc/91/10/36/455911036.db2.gz YRYRVWRLODIJNA-SFHVURJKSA-N 1 2 335.350 3.253 40 0 EGABLO C[C@H](COc1ccccc1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000223073036 456054117 /nfs/dbraw/zinc/05/41/17/456054117.db2.gz OLZNVRJZBUVCPX-MRXNPFEDSA-N 1 2 335.407 3.129 40 0 EGABLO Cc1nc([C@@H]2CCCN2c2cc(N3CCSCC3)[nH+]cn2)cs1 ZINC000225487276 456087542 /nfs/dbraw/zinc/08/75/42/456087542.db2.gz CDNYWYXZEWMVGA-AWEZNQCLSA-N 1 2 347.513 3.136 40 0 EGABLO Cc1nc([C@@H]2CCCN2c2cc(N3CCSCC3)nc[nH+]2)cs1 ZINC000225487276 456087546 /nfs/dbraw/zinc/08/75/46/456087546.db2.gz CDNYWYXZEWMVGA-AWEZNQCLSA-N 1 2 347.513 3.136 40 0 EGABLO COc1ccc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)nn1 ZINC000283284191 456750770 /nfs/dbraw/zinc/75/07/70/456750770.db2.gz XKMVUOLTZQMTSU-YJBOKZPZSA-N 1 2 327.428 3.064 40 0 EGABLO COc1ccc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)nn1 ZINC000283284191 456750775 /nfs/dbraw/zinc/75/07/75/456750775.db2.gz XKMVUOLTZQMTSU-YJBOKZPZSA-N 1 2 327.428 3.064 40 0 EGABLO CCOC(=O)c1csc(C2CC[NH+](Cc3nc(C)c(C)o3)CC2)n1 ZINC000191578263 528333703 /nfs/dbraw/zinc/33/37/03/528333703.db2.gz YTJGTXWBYAFZFA-UHFFFAOYSA-N 1 2 349.456 3.304 40 0 EGABLO COc1ccccc1C(=O)Nc1cc([NH+]2CCCC2)c(C)cc1N ZINC000226331232 537000591 /nfs/dbraw/zinc/00/05/91/537000591.db2.gz JZFPDEMPHDQKTB-UHFFFAOYSA-N 1 2 325.412 3.438 40 0 EGABLO COc1nc(C)cc(N2CCC[C@@H](c3[nH]c4ccc(C)cc4[nH+]3)C2)n1 ZINC000680624998 549886695 /nfs/dbraw/zinc/88/66/95/549886695.db2.gz ALCLXUZWQPEHPT-CQSZACIVSA-N 1 2 337.427 3.362 40 0 EGABLO Cc1ccc2nc([C@@H]3CCCN(c4cc[nH+]c(N(C)C)n4)C3)[nH]c2c1 ZINC000685913008 550454252 /nfs/dbraw/zinc/45/42/52/550454252.db2.gz WUEIXSNUUHFRDH-CQSZACIVSA-N 1 2 336.443 3.111 40 0 EGABLO Cc1ccc2[nH]c([C@@H]3CCCN(c4cc[nH+]c(N(C)C)n4)C3)nc2c1 ZINC000685913008 550454254 /nfs/dbraw/zinc/45/42/54/550454254.db2.gz WUEIXSNUUHFRDH-CQSZACIVSA-N 1 2 336.443 3.111 40 0 EGABLO FC(F)(F)c1ccc2nc([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)[nH]c2c1 ZINC000035446722 213028380 /nfs/dbraw/zinc/02/83/80/213028380.db2.gz BTRZSNJJLXFSJR-JTQLQIEISA-N 1 2 335.333 3.294 40 0 biogenic,in-vitro EGABLO FC(F)(F)c1ccc2nc([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)[nH]c2c1 ZINC000035446722 213028381 /nfs/dbraw/zinc/02/83/81/213028381.db2.gz BTRZSNJJLXFSJR-JTQLQIEISA-N 1 2 335.333 3.294 40 0 biogenic,in-vitro EGABLO Cc1ccc(F)cc1C(=O)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000072069179 216002247 /nfs/dbraw/zinc/00/22/47/216002247.db2.gz QUGMTQKRAWURRR-UHFFFAOYSA-N 1 2 342.414 3.113 40 0 EGABLO Cc1cc(C)nc(N2CCC[C@@H](c3cccc(-n4cc[nH+]c4)n3)C2)n1 ZINC000072369166 216176288 /nfs/dbraw/zinc/17/62/88/216176288.db2.gz BNDCEMADOJSUEO-MRXNPFEDSA-N 1 2 334.427 3.058 40 0 EGABLO CCc1cnc(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)o1 ZINC000072560723 216274162 /nfs/dbraw/zinc/27/41/62/216274162.db2.gz KSYSKQUMWWJWBH-INIZCTEOSA-N 1 2 342.443 3.413 40 0 EGABLO CCc1cnc(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)o1 ZINC000072560723 216274165 /nfs/dbraw/zinc/27/41/65/216274165.db2.gz KSYSKQUMWWJWBH-INIZCTEOSA-N 1 2 342.443 3.413 40 0 EGABLO CC[C@@](C)([NH2+]CC(=O)Nc1cccc(C(C)=O)c1)c1nccs1 ZINC000072683997 216293342 /nfs/dbraw/zinc/29/33/42/216293342.db2.gz GMCPTWGMILEALK-QGZVFWFLSA-N 1 2 331.441 3.199 40 0 EGABLO COc1ccc(-c2noc(C[N@@H+]3CCc4sccc4C3)n2)cc1 ZINC000021419131 212223650 /nfs/dbraw/zinc/22/36/50/212223650.db2.gz AFTJIIDOIKKZSA-UHFFFAOYSA-N 1 2 327.409 3.365 40 0 EGABLO COc1ccc(-c2noc(C[N@H+]3CCc4sccc4C3)n2)cc1 ZINC000021419131 212223656 /nfs/dbraw/zinc/22/36/56/212223656.db2.gz AFTJIIDOIKKZSA-UHFFFAOYSA-N 1 2 327.409 3.365 40 0 EGABLO Cc1cc(C)nc([C@H]2C[N@H+](CCCOc3ccccc3F)CCO2)n1 ZINC000257224664 244194202 /nfs/dbraw/zinc/19/42/02/244194202.db2.gz FCUGPQAUZZKMQK-GOSISDBHSA-N 1 2 345.418 3.075 40 0 EGABLO Cc1cc(C)nc([C@H]2C[N@@H+](CCCOc3ccccc3F)CCO2)n1 ZINC000257224664 244194209 /nfs/dbraw/zinc/19/42/09/244194209.db2.gz FCUGPQAUZZKMQK-GOSISDBHSA-N 1 2 345.418 3.075 40 0 EGABLO Cc1[nH+]cc(-c2ccc(C[C@@H]3CCCN(c4ncccn4)C3)cn2)n1C ZINC000257231021 244213094 /nfs/dbraw/zinc/21/30/94/244213094.db2.gz GEWRBEBAFRDBBB-KRWDZBQOSA-N 1 2 348.454 3.040 40 0 EGABLO Cc1nc2cc(C(=O)N(C)[C@@H]3CCCN(c4cccc[nH+]4)C3)ccc2[nH]1 ZINC000257249826 244265874 /nfs/dbraw/zinc/26/58/74/244265874.db2.gz JJXQRGOVOKTZLG-MRXNPFEDSA-N 1 2 349.438 3.007 40 0 EGABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)[nH+]1 ZINC000257259839 244292326 /nfs/dbraw/zinc/29/23/26/244292326.db2.gz LAGYTZIPHVEAFM-QGZVFWFLSA-N 1 2 334.423 3.297 40 0 EGABLO C[C@H](c1ccccc1F)[NH+]1CCN(C(=O)CCc2cscn2)CC1 ZINC000078915086 217147672 /nfs/dbraw/zinc/14/76/72/217147672.db2.gz SEZAELNORXNMAU-CQSZACIVSA-N 1 2 347.459 3.120 40 0 EGABLO Cc1cc(C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)on1 ZINC000079354467 217213438 /nfs/dbraw/zinc/21/34/38/217213438.db2.gz UKTFMMYEOHGBNF-UHFFFAOYSA-N 1 2 338.329 3.495 40 0 EGABLO CCc1nc(COc2ccc(C(=O)Nc3cc[nH+]c(C)c3)cc2)no1 ZINC000079361852 217216131 /nfs/dbraw/zinc/21/61/31/217216131.db2.gz JQXRCDMBEWGFCL-UHFFFAOYSA-N 1 2 338.367 3.167 40 0 EGABLO CC(=O)N[C@H](C)C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000080408403 217302571 /nfs/dbraw/zinc/30/25/71/217302571.db2.gz NWQUOOPZIGTDDT-LLVKDONJSA-N 1 2 328.416 3.074 40 0 EGABLO O=C(NCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cc1F ZINC000081001203 217348676 /nfs/dbraw/zinc/34/86/76/217348676.db2.gz MOQXONJQUJVCKH-UHFFFAOYSA-N 1 2 327.334 3.140 40 0 EGABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2cccnc2)CC1 ZINC000012221315 211323396 /nfs/dbraw/zinc/32/33/96/211323396.db2.gz OXTYRSLLJRRMDM-UHFFFAOYSA-N 1 2 349.438 3.306 40 0 EGABLO CCc1[nH+]c2cc(NC(=O)c3cc(-c4ccccn4)[nH]n3)ccc2n1C ZINC000012143788 211305200 /nfs/dbraw/zinc/30/52/00/211305200.db2.gz IUOFOAMDIKZISO-UHFFFAOYSA-N 1 2 346.394 3.173 40 0 EGABLO CC[C@H](C)C[C@@H](C)NC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000096439781 218819646 /nfs/dbraw/zinc/81/96/46/218819646.db2.gz HKNHEUBHVVGAEJ-UONOGXRCSA-N 1 2 338.521 3.231 40 0 EGABLO Cc1ccc(-n2nnnc2SCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000007049472 208575802 /nfs/dbraw/zinc/57/58/02/208575802.db2.gz GPEZGGYVRFRSOK-UHFFFAOYSA-N 1 2 336.424 3.219 40 0 EGABLO c1n[nH]cc1CCCSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000097593703 219037343 /nfs/dbraw/zinc/03/73/43/219037343.db2.gz BUNMIXQVPCWCNG-UHFFFAOYSA-N 1 2 336.424 3.264 40 0 EGABLO CCC(C)(C)n1nnnc1[C@H](c1ccc(C)cc1)[NH+]1CCSCC1 ZINC000057613877 257853673 /nfs/dbraw/zinc/85/36/73/257853673.db2.gz WWTUJOXBFVDLEM-INIZCTEOSA-N 1 2 345.516 3.265 40 0 EGABLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc2nc(C)ccc2c1 ZINC000241160565 293112967 /nfs/dbraw/zinc/11/29/67/293112967.db2.gz JYIKKMDKKJOVCD-IBGZPJMESA-N 1 2 336.439 3.457 40 0 EGABLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc2nc(C)ccc2c1 ZINC000241160565 293112969 /nfs/dbraw/zinc/11/29/69/293112969.db2.gz JYIKKMDKKJOVCD-IBGZPJMESA-N 1 2 336.439 3.457 40 0 EGABLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc2nc(C)ccc2c1 ZINC000241160566 293122488 /nfs/dbraw/zinc/12/24/88/293122488.db2.gz JYIKKMDKKJOVCD-LJQANCHMSA-N 1 2 336.439 3.457 40 0 EGABLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1ccc2nc(C)ccc2c1 ZINC000241160566 293122493 /nfs/dbraw/zinc/12/24/93/293122493.db2.gz JYIKKMDKKJOVCD-LJQANCHMSA-N 1 2 336.439 3.457 40 0 EGABLO Cc1cc(N2CC[C@H]2c2cc(Nc3ncccc3C)nc(C)n2)nc[nH+]1 ZINC000072383980 301342534 /nfs/dbraw/zinc/34/25/34/301342534.db2.gz BAVZKOBAGXCCBQ-INIZCTEOSA-N 1 2 347.426 3.282 40 0 EGABLO COC(=O)c1ccccc1NC(=O)C[NH+]1Cc2cc(C)c(C)cc2C1 ZINC000008367580 453197163 /nfs/dbraw/zinc/19/71/63/453197163.db2.gz XJMFNKKTDQJVQL-UHFFFAOYSA-N 1 2 338.407 3.044 40 0 EGABLO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012972232 453430927 /nfs/dbraw/zinc/43/09/27/453430927.db2.gz IRKRTQMENQNCFV-GRYCIOLGSA-N 1 2 346.349 3.021 40 0 EGABLO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012972232 453430929 /nfs/dbraw/zinc/43/09/29/453430929.db2.gz IRKRTQMENQNCFV-GRYCIOLGSA-N 1 2 346.349 3.021 40 0 EGABLO Cc1cccc(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)c1C ZINC000016704524 453620466 /nfs/dbraw/zinc/62/04/66/453620466.db2.gz UTULWOREPWOGKG-UHFFFAOYSA-N 1 2 340.496 3.213 40 0 EGABLO Cc1cccn2cc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)[nH+]c12 ZINC000027755093 453820302 /nfs/dbraw/zinc/82/03/02/453820302.db2.gz VQCSBYLFMZBZEC-UHFFFAOYSA-N 1 2 341.436 3.094 40 0 EGABLO COc1cccc([S@@](=O)Cc2[nH+]ccn2Cc2ccccc2)c1 ZINC000075078952 453858300 /nfs/dbraw/zinc/85/83/00/453858300.db2.gz OWUBUXXSASPHFD-HSZRJFAPSA-N 1 2 326.421 3.248 40 0 EGABLO C[NH+]1CCN(C(=O)CSC2c3ccccc3-c3ccccc32)CC1 ZINC000033323665 453913955 /nfs/dbraw/zinc/91/39/55/453913955.db2.gz UNQAUYAPFYIULC-UHFFFAOYSA-N 1 2 338.476 3.264 40 0 EGABLO C[NH+]1CCN(C(=O)c2cccc(-c3nc4ccccc4s3)c2)CC1 ZINC000041127511 453957060 /nfs/dbraw/zinc/95/70/60/453957060.db2.gz BBOBDLXBVMRLOF-UHFFFAOYSA-N 1 2 337.448 3.351 40 0 EGABLO Cc1noc(C)c1CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000077446794 454107058 /nfs/dbraw/zinc/10/70/58/454107058.db2.gz HLTFTJAJFSMCPF-UHFFFAOYSA-N 1 2 325.372 3.014 40 0 EGABLO O=C(NCCCCn1cc[nH+]c1)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000077550533 454121572 /nfs/dbraw/zinc/12/15/72/454121572.db2.gz ZEHXLBTVDICFQV-JKSUJKDBSA-N 1 2 332.835 3.172 40 0 EGABLO CCC(C)(C)n1nnnc1[C@@H](c1ccc(C)cc1)[NH+]1CCSCC1 ZINC000057613876 454137916 /nfs/dbraw/zinc/13/79/16/454137916.db2.gz WWTUJOXBFVDLEM-MRXNPFEDSA-N 1 2 345.516 3.265 40 0 EGABLO [NH3+][C@H](c1nc(COc2ccc(Cl)cc2)n[nH]1)c1ccc(F)cc1 ZINC000095533242 454230560 /nfs/dbraw/zinc/23/05/60/454230560.db2.gz VNDYKKZWGNLADY-HNNXBMFYSA-N 1 2 332.766 3.224 40 0 EGABLO CCOC[C@H]1CN(C(=O)c2ccsc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045127 454268463 /nfs/dbraw/zinc/26/84/63/454268463.db2.gz OUMRJSOJVSWWJE-OAHLLOKOSA-N 1 2 345.468 3.131 40 0 EGABLO Fc1cccc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccncc2)CCO3)c1 ZINC000096049087 454271517 /nfs/dbraw/zinc/27/15/17/454271517.db2.gz LMAHTWITJHNVMD-FQEVSTJZSA-N 1 2 341.430 3.092 40 0 EGABLO Fc1cccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccncc2)CCO3)c1 ZINC000096049087 454271521 /nfs/dbraw/zinc/27/15/21/454271521.db2.gz LMAHTWITJHNVMD-FQEVSTJZSA-N 1 2 341.430 3.092 40 0 EGABLO Cc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccncc4)C[C@H]3F)nc2c1 ZINC000096112312 454287626 /nfs/dbraw/zinc/28/76/26/454287626.db2.gz YGVCJAQVOPSYGZ-QAPCUYQASA-N 1 2 340.402 3.005 40 0 biogenic,in-vitro EGABLO Cc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccncc4)C[C@H]3F)nc2c1 ZINC000096112312 454287628 /nfs/dbraw/zinc/28/76/28/454287628.db2.gz YGVCJAQVOPSYGZ-QAPCUYQASA-N 1 2 340.402 3.005 40 0 biogenic,in-vitro EGABLO Cc1ccc2nc(CO[C@H]3C[N@H+](Cc4ccncc4)C[C@H]3F)[nH]c2c1 ZINC000096112312 454287630 /nfs/dbraw/zinc/28/76/30/454287630.db2.gz YGVCJAQVOPSYGZ-QAPCUYQASA-N 1 2 340.402 3.005 40 0 biogenic,in-vitro EGABLO Cc1ccc2nc(CO[C@H]3C[N@@H+](Cc4ccncc4)C[C@H]3F)[nH]c2c1 ZINC000096112312 454287631 /nfs/dbraw/zinc/28/76/31/454287631.db2.gz YGVCJAQVOPSYGZ-QAPCUYQASA-N 1 2 340.402 3.005 40 0 biogenic,in-vitro EGABLO Cc1nc(C)c(CN2CC[NH+](Cc3sc(C)nc3C)CC2)s1 ZINC000096424126 454337539 /nfs/dbraw/zinc/33/75/39/454337539.db2.gz CZIRGHKWUFAVEU-UHFFFAOYSA-N 1 2 336.530 3.151 40 0 EGABLO Cc1cnn(-c2ccc([C@@H](C)[NH2+][C@H](C)c3nnc(C)o3)cc2F)c1 ZINC000096437243 454348803 /nfs/dbraw/zinc/34/88/03/454348803.db2.gz PYIJGMDEBHPQCH-VXGBXAGGSA-N 1 2 329.379 3.423 40 0 EGABLO Cn1cc[nH+]c1CNC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000096461539 454359488 /nfs/dbraw/zinc/35/94/88/454359488.db2.gz WXCIFVDEZZJFOE-SFHVURJKSA-N 1 2 338.386 3.148 40 0 EGABLO CC(C)c1cnc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)o1 ZINC000096492003 454370059 /nfs/dbraw/zinc/37/00/59/454370059.db2.gz DCRCZSOFAGKHMQ-LLVKDONJSA-N 1 2 340.420 3.191 40 0 EGABLO CN(Cc1ccco1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000134717733 454582148 /nfs/dbraw/zinc/58/21/48/454582148.db2.gz YUFXFQJEJPRTIC-SJORKVTESA-N 1 2 349.381 3.145 40 0 EGABLO CN(Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000134717733 454582152 /nfs/dbraw/zinc/58/21/52/454582152.db2.gz YUFXFQJEJPRTIC-SJORKVTESA-N 1 2 349.381 3.145 40 0 EGABLO COc1cccc([C@H]2C[N@H+](Cc3ccccc3NC(C)=O)CCO2)c1 ZINC000093080364 454678948 /nfs/dbraw/zinc/67/89/48/454678948.db2.gz ATZXPYAEWSPKMP-HXUWFJFHSA-N 1 2 340.423 3.227 40 0 EGABLO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3NC(C)=O)CCO2)c1 ZINC000093080364 454678950 /nfs/dbraw/zinc/67/89/50/454678950.db2.gz ATZXPYAEWSPKMP-HXUWFJFHSA-N 1 2 340.423 3.227 40 0 EGABLO c1cc(C[NH+]2CC3(C2)C[C@H](OCc2ccncc2)CCO3)cs1 ZINC000247964524 455662064 /nfs/dbraw/zinc/66/20/64/455662064.db2.gz RQJXTQWBWNUBFJ-QGZVFWFLSA-N 1 2 330.453 3.093 40 0 EGABLO c1cn(CCOc2ccccc2N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c[nH+]1 ZINC000253369923 455835216 /nfs/dbraw/zinc/83/52/16/455835216.db2.gz JYBKIBVXMYRWRI-ATZDWAIDSA-N 1 2 339.439 3.332 40 0 EGABLO CSc1cccc(F)c1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000253395351 455837865 /nfs/dbraw/zinc/83/78/65/455837865.db2.gz TUUCLZSXJBYQHM-OCCSQVGLSA-N 1 2 333.432 3.467 40 0 EGABLO CCc1nnc(C[N@@H+]2C[C@H](C)CC[C@H]2c2ccccc2OC)n1C ZINC000253417482 455841811 /nfs/dbraw/zinc/84/18/11/455841811.db2.gz VXGUNEJGFKPHJT-ZBFHGGJFSA-N 1 2 328.460 3.359 40 0 EGABLO CCc1nnc(C[N@H+]2C[C@H](C)CC[C@H]2c2ccccc2OC)n1C ZINC000253417482 455841817 /nfs/dbraw/zinc/84/18/17/455841817.db2.gz VXGUNEJGFKPHJT-ZBFHGGJFSA-N 1 2 328.460 3.359 40 0 EGABLO CC(C)(C)[C@H]1CCc2nc(NC(=O)NCCn3cc[nH+]c3)sc2C1 ZINC000194582376 455861008 /nfs/dbraw/zinc/86/10/08/455861008.db2.gz HZTHQVJOUFNKIJ-LBPRGKRZSA-N 1 2 347.488 3.312 40 0 EGABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cn(C)c4ccccc34)C2)[nH+]1 ZINC000257299133 455886398 /nfs/dbraw/zinc/88/63/98/455886398.db2.gz ROVVDDRIZGUHBS-OAHLLOKOSA-N 1 2 336.439 3.240 40 0 EGABLO CNc1cc([C@H]2CCCN(C(=O)Cc3sc(C)nc3C)C2)cc[nH+]1 ZINC000257307156 455887926 /nfs/dbraw/zinc/88/79/26/455887926.db2.gz SXLCNDDRRRKFGZ-HNNXBMFYSA-N 1 2 344.484 3.145 40 0 EGABLO CNc1cc([C@H]2CCCN2C(=O)COc2ccc(F)cc2)cc[nH+]1 ZINC000257307747 455888074 /nfs/dbraw/zinc/88/80/74/455888074.db2.gz TTXLKADWYJSMNX-MRXNPFEDSA-N 1 2 329.375 3.005 40 0 EGABLO Cc1[nH+]c([C@H]2CCCCN2C(=O)c2cccnc2)c2sccn12 ZINC000257331116 455892779 /nfs/dbraw/zinc/89/27/79/455892779.db2.gz XRKUUXRMGRFEHZ-CQSZACIVSA-N 1 2 326.425 3.467 40 0 EGABLO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000194934719 455902967 /nfs/dbraw/zinc/90/29/67/455902967.db2.gz QTYUCXCDMWNGGG-LBPRGKRZSA-N 1 2 342.842 3.283 40 0 EGABLO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000194934719 455902971 /nfs/dbraw/zinc/90/29/71/455902971.db2.gz QTYUCXCDMWNGGG-LBPRGKRZSA-N 1 2 342.842 3.283 40 0 EGABLO Cc1cccc(OCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1C ZINC000223969302 456063105 /nfs/dbraw/zinc/06/31/05/456063105.db2.gz TZAVFVQSCFMVML-UHFFFAOYSA-N 1 2 349.434 3.357 40 0 EGABLO CC1(C)[C@@H](c2ccccc2)CCN1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000333785973 456261811 /nfs/dbraw/zinc/26/18/11/456261811.db2.gz VINKTWGAAXKIPX-JKSUJKDBSA-N 1 2 338.455 3.245 40 0 EGABLO CC1(C)[C@@H](c2ccccc2)CCN1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000333785973 456261815 /nfs/dbraw/zinc/26/18/15/456261815.db2.gz VINKTWGAAXKIPX-JKSUJKDBSA-N 1 2 338.455 3.245 40 0 EGABLO Cc1cccnc1C[N@H+]1Cc2ccnn2CC[C@@H]1COCC(C)C ZINC000585098446 459823075 /nfs/dbraw/zinc/82/30/75/459823075.db2.gz YSTTWMYQQCVHOD-GOSISDBHSA-N 1 2 328.460 3.034 40 0 EGABLO Cc1cccnc1C[N@@H+]1Cc2ccnn2CC[C@@H]1COCC(C)C ZINC000585098446 459823078 /nfs/dbraw/zinc/82/30/78/459823078.db2.gz YSTTWMYQQCVHOD-GOSISDBHSA-N 1 2 328.460 3.034 40 0 EGABLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)nn1 ZINC000191448704 526921267 /nfs/dbraw/zinc/92/12/67/526921267.db2.gz LNOHRQKUAVJJKO-KRWDZBQOSA-N 1 2 344.434 3.410 40 0 EGABLO CC(C)(C)n1cc(C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)nn1 ZINC000191448704 526921272 /nfs/dbraw/zinc/92/12/72/526921272.db2.gz LNOHRQKUAVJJKO-KRWDZBQOSA-N 1 2 344.434 3.410 40 0 EGABLO COc1ccccc1CC(=O)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257239583 537018456 /nfs/dbraw/zinc/01/84/56/537018456.db2.gz HPZPKGRNEKCPKH-SFHVURJKSA-N 1 2 347.418 3.218 40 0 EGABLO