smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[NH2+][C@@H](c1ccc(F)c(F)c1)c1ncccn1 ZINC000055237403 520018604 /nfs/dbraw/zinc/01/86/04/520018604.db2.gz BYQZAONFMOCIMA-ZDUSSCGKSA-N 1 2 263.291 2.844 10 0 CFAELO CCC[NH2+][C@H](COc1cccc(CC)c1)C(=O)OCC ZINC000045504423 520084511 /nfs/dbraw/zinc/08/45/11/520084511.db2.gz OASKFRLITFVLFN-OAHLLOKOSA-N 1 2 279.380 2.559 10 0 CFAELO CCC[NH2+][C@](C)(COCCCC(C)C)C(=O)OCC ZINC000045474802 520106776 /nfs/dbraw/zinc/10/67/76/520106776.db2.gz RCFPFQBTCQTLOB-OAHLLOKOSA-N 1 2 273.417 2.761 10 0 CFAELO CCCNc1cc(C[N@H+]2CCO[C@H](CC)C2)ccn1 ZINC000052720807 520135442 /nfs/dbraw/zinc/13/54/42/520135442.db2.gz PJJJFLUYTZGTGF-CQSZACIVSA-N 1 2 263.385 2.514 10 0 CFAELO CCCNc1snnc1C[N@H+](C)[C@H](C)CCC ZINC000050813997 520202796 /nfs/dbraw/zinc/20/27/96/520202796.db2.gz GCCOKAIMBPIPSG-SNVBAGLBSA-N 1 2 256.419 2.980 10 0 CFAELO CCCNc1snnc1C[N@@H+](C)[C@H](C)CCC ZINC000050813997 520202802 /nfs/dbraw/zinc/20/28/02/520202802.db2.gz GCCOKAIMBPIPSG-SNVBAGLBSA-N 1 2 256.419 2.980 10 0 CFAELO CCCC[N@H+](CC)Cc1nnsc1NCCC ZINC000050812325 520479877 /nfs/dbraw/zinc/47/98/77/520479877.db2.gz BVYIWTQCCJQLCF-UHFFFAOYSA-N 1 2 256.419 2.982 10 0 CFAELO CCCC[N@@H+](CC)Cc1nnsc1NCCC ZINC000050812325 520479884 /nfs/dbraw/zinc/47/98/84/520479884.db2.gz BVYIWTQCCJQLCF-UHFFFAOYSA-N 1 2 256.419 2.982 10 0 CFAELO CCCC1CCN(c2cc[nH+]c(C(N)=S)c2)CC1 ZINC000061813291 519903946 /nfs/dbraw/zinc/90/39/46/519903946.db2.gz RYFKOGIKMOBCOK-UHFFFAOYSA-N 1 2 263.410 2.732 10 0 CFAELO CC[NH2+][C@@H](CSc1cc(C)ccc1C)C(=O)OC ZINC000045588752 520102252 /nfs/dbraw/zinc/10/22/52/520102252.db2.gz KNROWRDDWGDTQF-LBPRGKRZSA-N 1 2 267.394 2.547 10 0 CFAELO CCCNc1cc(C[N@@H+]2CCO[C@H](CC)C2)ccn1 ZINC000052720807 520135437 /nfs/dbraw/zinc/13/54/37/520135437.db2.gz PJJJFLUYTZGTGF-CQSZACIVSA-N 1 2 263.385 2.514 10 0 CFAELO CCCNc1[nH+]cccc1CSCCC(=O)OC ZINC000052756393 520195948 /nfs/dbraw/zinc/19/59/48/520195948.db2.gz QJHKEZAUKSGNQB-UHFFFAOYSA-N 1 2 268.382 2.700 10 0 CFAELO CC[NH2+][C@](C)(CCSc1ccccc1)C(=O)OC ZINC000045555164 520231524 /nfs/dbraw/zinc/23/15/24/520231524.db2.gz HJNDYCGFBBBVPE-CQSZACIVSA-N 1 2 267.394 2.710 10 0 CFAELO CCNc1cc(C)[nH+]c(-c2ccc3c(c2)OCO3)n1 ZINC000050864645 520270222 /nfs/dbraw/zinc/27/02/22/520270222.db2.gz DWVIVTOFBHSDQB-UHFFFAOYSA-N 1 2 257.293 2.613 10 0 CFAELO CCNc1[nH+]cccc1COc1ccc(CO)cc1 ZINC000052755649 520377749 /nfs/dbraw/zinc/37/77/49/520377749.db2.gz SHLAYYCWZRHWAJ-UHFFFAOYSA-N 1 2 258.321 2.585 10 0 CFAELO CCNc1snnc1C[N@@H+]1CCCC[C@@H]1CC ZINC000050812902 520387227 /nfs/dbraw/zinc/38/72/27/520387227.db2.gz WNVYTOHOBJTMMO-JTQLQIEISA-N 1 2 254.403 2.734 10 0 CFAELO CCNc1snnc1C[N@H+]1CCCC[C@@H]1CC ZINC000050812902 520387232 /nfs/dbraw/zinc/38/72/32/520387232.db2.gz WNVYTOHOBJTMMO-JTQLQIEISA-N 1 2 254.403 2.734 10 0 CFAELO CCOc1cc(C[NH2+][C@@H](C)c2ncc(C)o2)ccc1O ZINC000231740528 520728627 /nfs/dbraw/zinc/72/86/27/520728627.db2.gz CRVPBLWXRHHASM-NSHDSACASA-N 1 2 276.336 2.938 10 0 CFAELO CCCCOCCOCc1ccc(NCC)[nH+]c1 ZINC000050832200 520791350 /nfs/dbraw/zinc/79/13/50/520791350.db2.gz IBWZLWCOASTXJQ-UHFFFAOYSA-N 1 2 252.358 2.847 10 0 CFAELO CCOC(=O)[C@@H](C)[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000049367604 521028879 /nfs/dbraw/zinc/02/88/79/521028879.db2.gz NSBHVPLTXVXFFU-ABAIWWIYSA-N 1 2 277.364 2.614 10 0 CFAELO CCOC(=O)[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000049371061 521211293 /nfs/dbraw/zinc/21/12/93/521211293.db2.gz AKDSGTKYEDTBQE-IINYFYTJSA-N 1 2 265.328 2.818 10 0 CFAELO CCCc1cc(N)nc(Cc2ccccc2OC)[nH+]1 ZINC000050845783 521366877 /nfs/dbraw/zinc/36/68/77/521366877.db2.gz ZJCAXQVBRXAMPT-UHFFFAOYSA-N 1 2 257.337 2.611 10 0 CFAELO CC[C@@H](C)[C@@H](c1nc(C[NH2+]C)no1)c1ccccc1 ZINC000051848506 522330851 /nfs/dbraw/zinc/33/08/51/522330851.db2.gz JVBAVTPERRSHBU-BXUZGUMPSA-N 1 2 259.353 2.967 10 0 CFAELO C[NH2+][C@@H](c1nnc(Cc2ccccc2)o1)c1ccccc1 ZINC000050618019 522375383 /nfs/dbraw/zinc/37/53/83/522375383.db2.gz RRULNOPLTUGTAM-MRXNPFEDSA-N 1 2 279.343 2.969 10 0 CFAELO CNc1nc(-c2ccc3c(c2)CCN3C)[nH+]c2c1CCC2 ZINC000050867628 522676041 /nfs/dbraw/zinc/67/60/41/522676041.db2.gz BOOYMUMEMMYZPL-UHFFFAOYSA-N 1 2 280.375 2.666 10 0 CFAELO CNc1nc(Cn2cc[nH+]c2)nc2sc(C)c(C)c21 ZINC000050818560 522686614 /nfs/dbraw/zinc/68/66/14/522686614.db2.gz DLEHJABQGKPJAI-UHFFFAOYSA-N 1 2 273.365 2.595 10 0 CFAELO CCc1nnc(C[N@H+](C)Cc2ccc(Cl)cc2)n1C ZINC000195018898 522723707 /nfs/dbraw/zinc/72/37/07/522723707.db2.gz NXAOWTFGVYXQLO-UHFFFAOYSA-N 1 2 278.787 2.663 10 0 CFAELO CCc1nnc(C[N@@H+](C)Cc2ccc(Cl)cc2)n1C ZINC000195018898 522723716 /nfs/dbraw/zinc/72/37/16/522723716.db2.gz NXAOWTFGVYXQLO-UHFFFAOYSA-N 1 2 278.787 2.663 10 0 CFAELO COc1ccc(-c2cn3cc(N)ccc3[nH+]2)c(OC)c1 ZINC000069369939 523145133 /nfs/dbraw/zinc/14/51/33/523145133.db2.gz KPTQIZKTMJXBHE-UHFFFAOYSA-N 1 2 269.304 2.601 10 0 CFAELO COc1ccc(-c2nc(N)c3c([nH+]2)CCC3)cc1C ZINC000050866196 523226103 /nfs/dbraw/zinc/22/61/03/523226103.db2.gz GLVOJSAJFOHFBB-UHFFFAOYSA-N 1 2 255.321 2.532 10 0 CFAELO CCn1cc[nH+]c1CN1c2ccccc2OC[C@@H]1C ZINC000072825017 523538416 /nfs/dbraw/zinc/53/84/16/523538416.db2.gz KYJKIEVBVKZSSE-LBPRGKRZSA-N 1 2 257.337 2.691 10 0 CFAELO CCc1c(C)[nH+]c(Cc2ccc(OC)c(OC)c2)nc1N ZINC000050845457 523709934 /nfs/dbraw/zinc/70/99/34/523709934.db2.gz SKBVQNBKMMXCTB-UHFFFAOYSA-N 1 2 287.363 2.538 10 0 CFAELO CCc1cc(NN)[nH+]c(-c2nccc3ccccc32)n1 ZINC000069316044 523823290 /nfs/dbraw/zinc/82/32/90/523823290.db2.gz XASZUTYOGKBBKJ-UHFFFAOYSA-N 1 2 265.320 2.540 10 0 CFAELO COC(=O)[C@H]([NH2+][C@H](C)c1ccc(C)s1)C(C)C ZINC000069610322 523932158 /nfs/dbraw/zinc/93/21/58/523932158.db2.gz KFBWSNLGDSOOQO-ZYHUDNBSSA-N 1 2 255.383 2.905 10 0 CFAELO C[C@@H](CC[NH+](C)C)Nc1[nH+]c(C(=O)[O-])cc2ccccc21 ZINC000049560482 524481312 /nfs/dbraw/zinc/48/13/12/524481312.db2.gz QHOBDDRBNUNOBK-NSHDSACASA-N 1 2 287.363 2.685 10 0 CFAELO C[C@@H](C[NH+]1CCCC1)n1c(=O)c2ccsc2[nH]c1=S ZINC000049185518 524594864 /nfs/dbraw/zinc/59/48/64/524594864.db2.gz BSEHSBMEQFUYBM-VIFPVBQESA-N 1 2 295.433 2.777 10 0 CFAELO C[C@H]1C[NH+](Cc2ccc(Cl)cc2N)C[C@H](C)O1 ZINC000050442818 524617391 /nfs/dbraw/zinc/61/73/91/524617391.db2.gz JRLUUGUQPPBDSS-UWVGGRQHSA-N 1 2 254.761 2.531 10 0 CFAELO COc1ccc(NCc2[nH]c[nH+]c2C)cc1Cl ZINC000054793528 524679958 /nfs/dbraw/zinc/67/99/58/524679958.db2.gz WESDNLAAXDHYJS-UHFFFAOYSA-N 1 2 251.717 2.992 10 0 CFAELO C[C@H](Cn1cc[nH+]c1)Nc1ccc(N)cc1C(F)(F)F ZINC000049234809 524796036 /nfs/dbraw/zinc/79/60/36/524796036.db2.gz LETARKJUWBWDED-SECBINFHSA-N 1 2 284.285 2.985 10 0 CFAELO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(N)cc1Cl ZINC000049234830 524964545 /nfs/dbraw/zinc/96/45/45/524964545.db2.gz IWGYHNFWYQKMST-VIFPVBQESA-N 1 2 250.733 2.619 10 0 CFAELO Cc1cc(F)ccc1[C@@H]([NH3+])c1noc(C(F)(F)F)n1 ZINC000050580605 525006010 /nfs/dbraw/zinc/00/60/10/525006010.db2.gz CRWPHEFKMSFRGZ-MRVPVSSYSA-N 1 2 275.205 2.584 10 0 CFAELO Cc1ccccc1-c1[nH+]c(C2CCCC2)n(N)c1N ZINC000052839562 525009530 /nfs/dbraw/zinc/00/95/30/525009530.db2.gz DIKLGZPJSBMZGM-UHFFFAOYSA-N 1 2 256.353 2.812 10 0 CFAELO Cc1ccc(NC(=O)C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000195506907 525050149 /nfs/dbraw/zinc/05/01/49/525050149.db2.gz MTIZCPFZKDUOER-UHFFFAOYSA-N 1 2 298.390 2.536 10 0 CFAELO Cc1ccc(Nc2cc[nH+]c(C(N)=S)c2)cc1F ZINC000061812189 525325163 /nfs/dbraw/zinc/32/51/63/525325163.db2.gz FHCFZEWFFHIQOU-UHFFFAOYSA-N 1 2 261.325 2.907 10 0 CFAELO C[C@@H](NC(=O)c1cccnc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173948021 525354515 /nfs/dbraw/zinc/35/45/15/525354515.db2.gz WZDPFVZXOIAOEW-CYBMUJFWSA-N 1 2 292.342 2.758 10 0 CFAELO C[C@@H](NC(=O)c1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173922337 525357170 /nfs/dbraw/zinc/35/71/70/525357170.db2.gz ACTYJBJWMHDPGC-GFCCVEGCSA-N 1 2 281.315 2.956 10 0 CFAELO CSCCC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173911210 525376141 /nfs/dbraw/zinc/37/61/41/525376141.db2.gz PCFGANCHBCVDFG-LBPRGKRZSA-N 1 2 289.404 2.803 10 0 CFAELO COc1ccc2cc(COC3CCC3)c(N)[nH+]c2c1 ZINC000050833279 525633103 /nfs/dbraw/zinc/63/31/03/525633103.db2.gz LRLMMMPZKYUQMS-UHFFFAOYSA-N 1 2 258.321 2.895 10 0 CFAELO Cc1ccc2c(c1)CCC[N@H+]2CC1(CO)CCOCC1 ZINC000052199214 526144883 /nfs/dbraw/zinc/14/48/83/526144883.db2.gz PLPJZGBZFLIHKG-UHFFFAOYSA-N 1 2 275.392 2.537 10 0 CFAELO Cc1ccc2c(c1)CCC[N@@H+]2CC1(CO)CCOCC1 ZINC000052199214 526144889 /nfs/dbraw/zinc/14/48/89/526144889.db2.gz PLPJZGBZFLIHKG-UHFFFAOYSA-N 1 2 275.392 2.537 10 0 CFAELO Cc1ccc(C(N)=S)c(N2CCC(C)(C)CC2)[nH+]1 ZINC000061821599 526254733 /nfs/dbraw/zinc/25/47/33/526254733.db2.gz CDDNECVOURILFD-UHFFFAOYSA-N 1 2 263.410 2.651 10 0 CFAELO c1csc([C@@H]2C[N@H+]([C@@H]3C=CCCC3)CCO2)n1 ZINC000246244100 526585217 /nfs/dbraw/zinc/58/52/17/526585217.db2.gz JRBWXYRUYIFCJD-NEPJUHHUSA-N 1 2 250.367 2.625 10 0 CFAELO c1csc([C@@H]2C[N@@H+]([C@@H]3C=CCCC3)CCO2)n1 ZINC000246244100 526585222 /nfs/dbraw/zinc/58/52/22/526585222.db2.gz JRBWXYRUYIFCJD-NEPJUHHUSA-N 1 2 250.367 2.625 10 0 CFAELO O=C(C[N@@H+]1CCCC[C@H]1c1nccs1)N1CCCCC1 ZINC000195370011 526743565 /nfs/dbraw/zinc/74/35/65/526743565.db2.gz ZTGZENITGNYFSY-ZDUSSCGKSA-N 1 2 293.436 2.683 10 0 CFAELO O=C(C[N@H+]1CCCC[C@H]1c1nccs1)N1CCCCC1 ZINC000195370011 526743567 /nfs/dbraw/zinc/74/35/67/526743567.db2.gz ZTGZENITGNYFSY-ZDUSSCGKSA-N 1 2 293.436 2.683 10 0 CFAELO Cc1sc2nc(C[N@@H+]3CC[C@@H](O)C3)nc(Cl)c2c1C ZINC000061710206 526892208 /nfs/dbraw/zinc/89/22/08/526892208.db2.gz OCRJFFXFATZTHB-SECBINFHSA-N 1 2 297.811 2.528 10 0 CFAELO Cc1sc2nc(C[N@H+]3CC[C@@H](O)C3)nc(Cl)c2c1C ZINC000061710206 526892211 /nfs/dbraw/zinc/89/22/11/526892211.db2.gz OCRJFFXFATZTHB-SECBINFHSA-N 1 2 297.811 2.528 10 0 CFAELO Cc1nc(Cn2c(C)c(C)c3c2nc(C)[nH+]c3N)cs1 ZINC000049534577 526943320 /nfs/dbraw/zinc/94/33/20/526943320.db2.gz IUBQMQHCHZWPQX-UHFFFAOYSA-N 1 2 287.392 2.752 10 0 CFAELO NC(=S)c1cc(NCc2ccc(Cl)cc2)cc[nH+]1 ZINC000061812358 527116642 /nfs/dbraw/zinc/11/66/42/527116642.db2.gz WXEIJVOPQDZFIC-UHFFFAOYSA-N 1 2 277.780 2.981 10 0 CFAELO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000174760262 528136307 /nfs/dbraw/zinc/13/63/07/528136307.db2.gz LOOVOHMSXNIIPK-JKSUJKDBSA-N 1 2 297.402 2.996 10 0 CFAELO O=C(/C=C/c1cccs1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177810982 618606834 /nfs/dbraw/zinc/60/68/34/618606834.db2.gz BHCCUNYJCKCLMU-URWSZGRFSA-N 1 2 287.388 2.649 10 0 CFAELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(c2ncccc2F)C1 ZINC000888102860 619134186 /nfs/dbraw/zinc/13/41/86/619134186.db2.gz REGHANDDQIOOAU-YPMHNXCESA-N 1 2 290.342 2.527 10 0 CFAELO CCCCCC[C@@H](C)CC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000067906111 624963538 /nfs/dbraw/zinc/96/35/38/624963538.db2.gz IWAYYCOOPGPLNR-CVEARBPZSA-N 1 2 298.471 2.820 10 0 CFAELO CCCCCC[C@@H](CC)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000116725072 636561007 /nfs/dbraw/zinc/56/10/07/636561007.db2.gz PJWCDEYLFBKLAN-HZPDHXFCSA-N 1 2 298.471 2.820 10 0 CFAELO CS[C@H]1CCC[C@@H]1[N@H+](C)Cc1noc(C2CC2)n1 ZINC000076146888 650369246 /nfs/dbraw/zinc/36/92/46/650369246.db2.gz KFPUOJIMQSJUSM-QWRGUYRKSA-N 1 2 267.398 2.663 10 0 CFAELO CS[C@H]1CCC[C@@H]1[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000076146888 650369248 /nfs/dbraw/zinc/36/92/48/650369248.db2.gz KFPUOJIMQSJUSM-QWRGUYRKSA-N 1 2 267.398 2.663 10 0 CFAELO CCn1cc[nH+]c1C[S@@](=O)Cc1ccc(F)cc1F ZINC000176463518 529582586 /nfs/dbraw/zinc/58/25/86/529582586.db2.gz YICVNGQFAQAWLY-IBGZPJMESA-N 1 2 284.331 2.630 10 0 CFAELO Brc1cnsc1[C@@H]1[NH2+]CCc2occc21 ZINC000711835976 539328105 /nfs/dbraw/zinc/32/81/05/539328105.db2.gz JRJQABAUYLKYGU-SECBINFHSA-N 1 2 285.166 2.734 10 0 CFAELO Brc1cnsc1[C@@H]1[NH2+]CCc2ccoc21 ZINC000711838855 539328137 /nfs/dbraw/zinc/32/81/37/539328137.db2.gz YZZFVEPPONPZCC-MRVPVSSYSA-N 1 2 285.166 2.734 10 0 CFAELO Cn1cc([C@H]2CCC[N@@H+]2Cc2noc3c2CCCC3)cn1 ZINC000108862742 347743630 /nfs/dbraw/zinc/74/36/30/347743630.db2.gz FKZCSEOAFDNHKT-OAHLLOKOSA-N 1 2 286.379 2.624 10 0 CFAELO Cn1cc([C@H]2CCC[N@H+]2Cc2noc3c2CCCC3)cn1 ZINC000108862742 347743633 /nfs/dbraw/zinc/74/36/33/347743633.db2.gz FKZCSEOAFDNHKT-OAHLLOKOSA-N 1 2 286.379 2.624 10 0 CFAELO CNc1nc(N(C)Cc2ccccc2)c(Cl)c[nH+]1 ZINC000127239154 347840298 /nfs/dbraw/zinc/84/02/98/347840298.db2.gz WFSSMHJBIUKBPV-UHFFFAOYSA-N 1 2 262.744 2.808 10 0 CFAELO Brc1csc(-n2c[nH+]c3c2CCCC3)n1 ZINC000127353598 347840969 /nfs/dbraw/zinc/84/09/69/347840969.db2.gz OFCGLMOJQCLDIE-UHFFFAOYSA-N 1 2 284.182 2.970 10 0 CFAELO C[C@@H]1CC[NH2+][C@@H](c2ccc(Br)cn2)S1 ZINC000130059651 347867730 /nfs/dbraw/zinc/86/77/30/347867730.db2.gz KDHAMOITIFIWDM-GMSGAONNSA-N 1 2 273.199 2.958 10 0 CFAELO C[C@H](NC(=O)[C@H]1C[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173938518 348111419 /nfs/dbraw/zinc/11/14/19/348111419.db2.gz HZRIFOQWLNPVEZ-XUJVJEKNSA-N 1 2 269.348 2.706 10 0 CFAELO C[C@@H](Oc1ccc[nH+]c1N)c1cc(F)ccc1-n1nccn1 ZINC000225235990 348176762 /nfs/dbraw/zinc/17/67/62/348176762.db2.gz JETROSFDBSBKKJ-SNVBAGLBSA-N 1 2 299.309 2.524 10 0 CFAELO [NH3+][C@@H](c1cnsc1)c1ccc(Br)o1 ZINC000404819104 348594686 /nfs/dbraw/zinc/59/46/86/348594686.db2.gz CHSUYFRMMBYTBE-QMMMGPOBSA-N 1 2 259.128 2.547 10 0 CFAELO CNc1c(N)c[nH+]c2c(OC(F)(F)F)cccc12 ZINC000584882316 348725944 /nfs/dbraw/zinc/72/59/44/348725944.db2.gz CDPLEPOHHYTPNE-UHFFFAOYSA-N 1 2 257.215 2.757 10 0 CFAELO CCn1c2ccccc2c2c1[C@@H]1CC(=O)CC[N@@H+]1CC2 ZINC000584605942 348687877 /nfs/dbraw/zinc/68/78/77/348687877.db2.gz SLCRSQSWBVKGAY-INIZCTEOSA-N 1 2 268.360 2.923 10 0 CFAELO CCn1c2ccccc2c2c1[C@@H]1CC(=O)CC[N@H+]1CC2 ZINC000584605942 348687881 /nfs/dbraw/zinc/68/78/81/348687881.db2.gz SLCRSQSWBVKGAY-INIZCTEOSA-N 1 2 268.360 2.923 10 0 CFAELO O=C(Cc1cccc2[nH+]ccn21)Nc1ccccc1 ZINC000584605590 348687918 /nfs/dbraw/zinc/68/79/18/348687918.db2.gz WUWUGNFXJZJEKF-UHFFFAOYSA-N 1 2 251.289 2.516 10 0 CFAELO COc1ccc(NC(=O)Cc2cccc3[nH+]ccn32)cc1F ZINC000584605600 348688082 /nfs/dbraw/zinc/68/80/82/348688082.db2.gz XYCGZPXNIGOLRC-UHFFFAOYSA-N 1 2 299.305 2.663 10 0 CFAELO C[C@@H](CCOc1ccc(Cl)cn1)CC[NH+]1CC1 ZINC000584650550 348702007 /nfs/dbraw/zinc/70/20/07/348702007.db2.gz 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ZINC000301233249 382114611 /nfs/dbraw/zinc/11/46/11/382114611.db2.gz IXICUOGZPCIQCU-KGLIPLIRSA-N 1 2 292.427 2.532 10 0 CFAELO CC(C)C[C@H](O)CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000301233249 382114619 /nfs/dbraw/zinc/11/46/19/382114619.db2.gz IXICUOGZPCIQCU-KGLIPLIRSA-N 1 2 292.427 2.532 10 0 CFAELO Cc1n[nH]c(C)c1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000301262257 382126512 /nfs/dbraw/zinc/12/65/12/382126512.db2.gz VHSFISCKGKIRHC-UHFFFAOYSA-N 1 2 259.357 2.860 10 0 CFAELO CCCCN(CC)c1nc(NC)c(Br)c[nH+]1 ZINC000302405441 382246452 /nfs/dbraw/zinc/24/64/52/382246452.db2.gz FTDXTFGBPLSOGV-UHFFFAOYSA-N 1 2 287.205 2.907 10 0 CFAELO CO[C@H]1CC[C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000302751905 382310464 /nfs/dbraw/zinc/31/04/64/382310464.db2.gz HHHNSPYWWRZXPJ-QWRGUYRKSA-N 1 2 289.383 2.561 10 0 CFAELO Nc1[nH+]cnc(N2CCC[C@@H]2c2ccco2)c1Cl ZINC000302905826 382349398 /nfs/dbraw/zinc/34/93/98/382349398.db2.gz SVRZVZRXBXGTCL-MRVPVSSYSA-N 1 2 264.716 2.647 10 0 CFAELO CNc1[nH+]ccc2ccc(I)cc21 ZINC000306151494 382453033 /nfs/dbraw/zinc/45/30/33/382453033.db2.gz DKYSAHCWBFCMMS-UHFFFAOYSA-N 1 2 284.100 2.881 10 0 CFAELO Cc1[nH+]c(NCc2ccccc2)ccc1C(N)=S ZINC000306702859 382460553 /nfs/dbraw/zinc/46/05/53/382460553.db2.gz HYEWDCXFOKDYIK-UHFFFAOYSA-N 1 2 257.362 2.636 10 0 CFAELO CCn1c(C)nnc1C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190964042 382686683 /nfs/dbraw/zinc/68/66/83/382686683.db2.gz APEMOSPCTGOHJP-UHFFFAOYSA-N 1 2 292.427 2.530 10 0 CFAELO CCn1c(C)nnc1C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190964042 382686684 /nfs/dbraw/zinc/68/66/84/382686684.db2.gz APEMOSPCTGOHJP-UHFFFAOYSA-N 1 2 292.427 2.530 10 0 CFAELO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cocn2)s1 ZINC000191941937 382703369 /nfs/dbraw/zinc/70/33/69/382703369.db2.gz FNYIJMDEXVRHCW-SECBINFHSA-N 1 2 251.355 2.941 10 0 CFAELO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cocn2)s1 ZINC000191941937 382703370 /nfs/dbraw/zinc/70/33/70/382703370.db2.gz FNYIJMDEXVRHCW-SECBINFHSA-N 1 2 251.355 2.941 10 0 CFAELO OC[C@@H]1Cc2occc2C[N@@H+]1Cc1ccc2ccccc2n1 ZINC000575407937 382769839 /nfs/dbraw/zinc/76/98/39/382769839.db2.gz VUYVDLKJTSUCNS-INIZCTEOSA-N 1 2 294.354 2.747 10 0 CFAELO OC[C@@H]1Cc2occc2C[N@H+]1Cc1ccc2ccccc2n1 ZINC000575407937 382769840 /nfs/dbraw/zinc/76/98/40/382769840.db2.gz VUYVDLKJTSUCNS-INIZCTEOSA-N 1 2 294.354 2.747 10 0 CFAELO C[C@H]1C[NH2+][C@@H](c2ccncc2Br)S1 ZINC000575544317 382773393 /nfs/dbraw/zinc/77/33/93/382773393.db2.gz CRKIUGSEIZYANQ-IMTBSYHQSA-N 1 2 259.172 2.568 10 0 CFAELO CCCOc1cccc2c(N3CCC[C@H]3CO)cc[nH+]c12 ZINC000194713129 382752797 /nfs/dbraw/zinc/75/27/97/382752797.db2.gz WSLWLJZOQJISAV-ZDUSSCGKSA-N 1 2 286.375 2.985 10 0 CFAELO COc1cccc2c1cc[nH+]c2N[C@@H]1CCO[C@H]1C ZINC000235041911 382876250 /nfs/dbraw/zinc/87/62/50/382876250.db2.gz QQWFFPHAMGQARH-GXFFZTMASA-N 1 2 258.321 2.833 10 0 CFAELO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000246638706 383088676 /nfs/dbraw/zinc/08/86/76/383088676.db2.gz IDJOQDKFZJTWQK-QWHCGFSZSA-N 1 2 296.436 2.973 10 0 CFAELO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000246638706 383088682 /nfs/dbraw/zinc/08/86/82/383088682.db2.gz IDJOQDKFZJTWQK-QWHCGFSZSA-N 1 2 296.436 2.973 10 0 CFAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1nc(C)cs1 ZINC000248296285 383222339 /nfs/dbraw/zinc/22/23/39/383222339.db2.gz YVRACVRTZDFPRP-AGIUHOORSA-N 1 2 294.420 2.758 10 0 CFAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nc(C)cs1 ZINC000248296285 383222343 /nfs/dbraw/zinc/22/23/43/383222343.db2.gz YVRACVRTZDFPRP-AGIUHOORSA-N 1 2 294.420 2.758 10 0 CFAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1nc(C)c(C)o1 ZINC000250641172 383378556 /nfs/dbraw/zinc/37/85/56/383378556.db2.gz UDHXRLZWUHBQOV-MCIONIFRSA-N 1 2 292.379 2.598 10 0 CFAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nc(C)c(C)o1 ZINC000250641172 383378558 /nfs/dbraw/zinc/37/85/58/383378558.db2.gz UDHXRLZWUHBQOV-MCIONIFRSA-N 1 2 292.379 2.598 10 0 CFAELO C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)c1cccc(O)c1 ZINC000277437309 384301824 /nfs/dbraw/zinc/30/18/24/384301824.db2.gz MKIYXONODPBBJB-GFCCVEGCSA-N 1 2 284.363 2.956 10 0 CFAELO C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)c1cccc(O)c1 ZINC000277437309 384301831 /nfs/dbraw/zinc/30/18/31/384301831.db2.gz MKIYXONODPBBJB-GFCCVEGCSA-N 1 2 284.363 2.956 10 0 CFAELO CCC[C@@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)C(C)C ZINC000133650219 413045681 /nfs/dbraw/zinc/04/56/81/413045681.db2.gz UKGONISNHMCBDB-HUUCEWRRSA-N 1 2 277.412 2.946 10 0 CFAELO Cc1nc([C@H]([NH3+])c2cc(Cl)cc(Cl)c2)no1 ZINC000037425121 393531043 /nfs/dbraw/zinc/53/10/43/393531043.db2.gz MASORNFHWVTJEO-SECBINFHSA-N 1 2 258.108 2.733 10 0 CFAELO CCn1cc[nH+]c1C[S@@](=O)Cc1ccc(C)cc1 ZINC000083033868 393741161 /nfs/dbraw/zinc/74/11/61/393741161.db2.gz CLFKIMDUMILVGE-GOSISDBHSA-N 1 2 262.378 2.660 10 0 CFAELO CCc1nnc(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)n1C ZINC000195054730 393729680 /nfs/dbraw/zinc/72/96/80/393729680.db2.gz WHMDRLLKGNSFIM-GFCCVEGCSA-N 1 2 288.395 2.579 10 0 CFAELO CCc1nnc(C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)n1C ZINC000195054730 393729683 /nfs/dbraw/zinc/72/96/83/393729683.db2.gz WHMDRLLKGNSFIM-GFCCVEGCSA-N 1 2 288.395 2.579 10 0 CFAELO COC(=O)c1sccc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245872673 393832553 /nfs/dbraw/zinc/83/25/53/393832553.db2.gz POMRUENNOUCFEC-OLZOCXBDSA-N 1 2 295.404 2.678 10 0 CFAELO COC(=O)c1sccc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245872673 393832558 /nfs/dbraw/zinc/83/25/58/393832558.db2.gz POMRUENNOUCFEC-OLZOCXBDSA-N 1 2 295.404 2.678 10 0 CFAELO C[C@H]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)c2ccccc21 ZINC000132836617 394164157 /nfs/dbraw/zinc/16/41/57/394164157.db2.gz SITVQHHMUKSCKP-XJKSGUPXSA-N 1 2 298.390 2.821 10 0 CFAELO C[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)O1 ZINC000133243770 394172904 /nfs/dbraw/zinc/17/29/04/394172904.db2.gz JGGGCDUFTZUVQW-FZMZJTMJSA-N 1 2 285.347 2.593 10 0 CFAELO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000188965615 543065132 /nfs/dbraw/zinc/06/51/32/543065132.db2.gz NYJOWMKATDIFNQ-NXEZZACHSA-N 1 2 289.301 2.580 10 0 CFAELO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000188965615 543065133 /nfs/dbraw/zinc/06/51/33/543065133.db2.gz NYJOWMKATDIFNQ-NXEZZACHSA-N 1 2 289.301 2.580 10 0 CFAELO Cc1ccc2c(c1)[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@@H](C)C2 ZINC000193783136 543092156 /nfs/dbraw/zinc/09/21/56/543092156.db2.gz RCIDUUJONDOYAD-UGSOOPFHSA-N 1 2 297.402 2.711 10 0 CFAELO Nc1c(Cl)cc(Cl)cc1CN1CCn2cc[nH+]c2C1 ZINC000388652273 397537405 /nfs/dbraw/zinc/53/74/05/397537405.db2.gz ZNYIPBWTXDMFSG-UHFFFAOYSA-N 1 2 297.189 2.788 10 0 CFAELO CCn1cc[nH+]c1CN1C[C@H](C)Oc2cc(F)ccc21 ZINC000127953185 397603303 /nfs/dbraw/zinc/60/33/03/397603303.db2.gz QAHOXZKZKPCKKR-NSHDSACASA-N 1 2 275.327 2.830 10 0 CFAELO CC(C)c1nnc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)n1C ZINC000177210514 397607960 /nfs/dbraw/zinc/60/79/60/397607960.db2.gz VHWKXPKQCUAPNA-QWHCGFSZSA-N 1 2 294.468 2.799 10 0 CFAELO CC(C)c1nnc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)n1C ZINC000177210514 397607963 /nfs/dbraw/zinc/60/79/63/397607963.db2.gz VHWKXPKQCUAPNA-QWHCGFSZSA-N 1 2 294.468 2.799 10 0 CFAELO CCCc1nccnc1NCCCCn1cc[nH+]c1 ZINC000663771838 413366222 /nfs/dbraw/zinc/36/62/22/413366222.db2.gz SEMBEVCZTCNJEV-UHFFFAOYSA-N 1 2 259.357 2.518 10 0 CFAELO CCOc1ccccc1[C@@H](C)[NH2+]Cc1n[nH]cc1C ZINC000352834375 163248300 /nfs/dbraw/zinc/24/83/00/163248300.db2.gz LROVHJZNFIPKMS-GFCCVEGCSA-N 1 2 259.353 2.968 10 0 CFAELO CCc1nnc(C[NH2+][C@H](C)c2c(C)nn(CC)c2C)s1 ZINC000353562874 163395079 /nfs/dbraw/zinc/39/50/79/163395079.db2.gz SDYQSZOXHPXQQS-SECBINFHSA-N 1 2 293.440 2.785 10 0 CFAELO CCOc1ccccc1[C@@H](C)[NH2+]Cc1nc(C)c[nH]1 ZINC000657337257 413467233 /nfs/dbraw/zinc/46/72/33/413467233.db2.gz OAEBJXJZUJPFAL-GFCCVEGCSA-N 1 2 259.353 2.968 10 0 CFAELO CCNC(=O)O[C@H](CNc1cccc[nH+]1)c1ccccc1 ZINC000006385272 170196770 /nfs/dbraw/zinc/19/67/70/170196770.db2.gz ABTVPOXRJHRECQ-CQSZACIVSA-N 1 2 285.347 2.981 10 0 CFAELO COc1ccc(-c2[nH+]c(CO)c3ccccn32)cc1 ZINC000008492895 170338093 /nfs/dbraw/zinc/33/80/93/170338093.db2.gz JLKYZYPWRODNME-UHFFFAOYSA-N 1 2 254.289 2.502 10 0 CFAELO [NH3+][C@H](c1nc(-c2ccc(F)cc2)no1)c1ccccc1 ZINC000035660351 172337190 /nfs/dbraw/zinc/33/71/90/172337190.db2.gz ACXSKSMKVMICNH-ZDUSSCGKSA-N 1 2 269.279 2.924 10 0 CFAELO Cn1cc[nH+]c1CSc1c(N)cccc1Cl ZINC000037204188 173026724 /nfs/dbraw/zinc/02/67/24/173026724.db2.gz SNOHSIUYWWTWQC-UHFFFAOYSA-N 1 2 253.758 2.948 10 0 CFAELO COC(=O)C(C)(C)[NH2+][C@H](c1cccs1)C(C)C ZINC000037304422 173109266 /nfs/dbraw/zinc/10/92/66/173109266.db2.gz KREZYWAKDSDAPB-NSHDSACASA-N 1 2 255.383 2.986 10 0 CFAELO CC[NH+](CC)CCCn1c(C)[nH+]c2cc(C(=O)[O-])ccc21 ZINC000037309499 173112889 /nfs/dbraw/zinc/11/28/89/173112889.db2.gz YHPJJPBXACYSBW-UHFFFAOYSA-N 1 2 289.379 2.775 10 0 CFAELO NC(=S)c1cc(C(F)(F)F)ccc1-n1cc[nH+]c1 ZINC000037334481 173135130 /nfs/dbraw/zinc/13/51/30/173135130.db2.gz AQAHKCBPNORHLW-UHFFFAOYSA-N 1 2 271.267 2.525 10 0 CFAELO COc1ccc(C(=O)C[N@H+](C)C2CC2)cc1Br ZINC000037334184 173135429 /nfs/dbraw/zinc/13/54/29/173135429.db2.gz ATNAJBDDUVORPN-UHFFFAOYSA-N 1 2 298.180 2.735 10 0 CFAELO COc1ccc(C(=O)C[N@@H+](C)C2CC2)cc1Br ZINC000037334184 173135432 /nfs/dbraw/zinc/13/54/32/173135432.db2.gz ATNAJBDDUVORPN-UHFFFAOYSA-N 1 2 298.180 2.735 10 0 CFAELO CCOC(=O)[C@@](CC)([NH2+]C(C)C)c1ccc(F)cc1 ZINC000037446094 173212698 /nfs/dbraw/zinc/21/26/98/173212698.db2.gz IOKWWJKLINYGKG-HNNXBMFYSA-N 1 2 267.344 2.992 10 0 CFAELO CC[C@@H]1CO[C@H](C)C[N@@H+]1[C@@H](C)C(=O)c1ccccc1 ZINC000037488597 173230812 /nfs/dbraw/zinc/23/08/12/173230812.db2.gz ZZUPVGJQVWKEQR-VNHYZAJKSA-N 1 2 261.365 2.757 10 0 CFAELO CC[C@@H]1CO[C@H](C)C[N@H+]1[C@@H](C)C(=O)c1ccccc1 ZINC000037488597 173230813 /nfs/dbraw/zinc/23/08/13/173230813.db2.gz ZZUPVGJQVWKEQR-VNHYZAJKSA-N 1 2 261.365 2.757 10 0 CFAELO CCC[NH2+][C@]1(C(=O)OCC)CCCc2ccccc21 ZINC000037513655 173244836 /nfs/dbraw/zinc/24/48/36/173244836.db2.gz YSRDCLWUSSODAG-MRXNPFEDSA-N 1 2 261.365 2.781 10 0 CFAELO CCCOc1cccc(C[NH2+][C@H](C(=O)OC)C(C)C)c1 ZINC000038038283 174038228 /nfs/dbraw/zinc/03/82/28/174038228.db2.gz CEZCYMLHYWGOPG-HNNXBMFYSA-N 1 2 279.380 2.763 10 0 CFAELO Cc1nccc(C[NH2+]Cc2ccc(F)cc2Cl)n1 ZINC000038038024 174038242 /nfs/dbraw/zinc/03/82/42/174038242.db2.gz NXAHFKUSSZEZMQ-UHFFFAOYSA-N 1 2 265.719 2.867 10 0 CFAELO CCOc1ccc([C@@H]([NH2+][C@H](C)CC)C(=O)OC)cc1 ZINC000038067220 174079162 /nfs/dbraw/zinc/07/91/62/174079162.db2.gz NOPHZKBQDOWPKC-BXUZGUMPSA-N 1 2 265.353 2.688 10 0 CFAELO CC[C@H](C)[NH2+][C@H](C(=O)OC)c1cc(C)c(O)c(C)c1 ZINC000038067251 174079290 /nfs/dbraw/zinc/07/92/90/174079290.db2.gz LBPUFILVATWRGE-AAEUAGOBSA-N 1 2 265.353 2.611 10 0 CFAELO CCOC(=O)[C@H]([NH2+][C@@H](C)CC)c1ccc(OC)cc1 ZINC000038067883 174079771 /nfs/dbraw/zinc/07/97/71/174079771.db2.gz WJCHNAJBGQORDT-SMDDNHRTSA-N 1 2 265.353 2.688 10 0 CFAELO COC(=O)[C@H]([NH2+]Cc1cc(C)c(C)cc1C)C(C)C ZINC000040218962 174206056 /nfs/dbraw/zinc/20/60/56/174206056.db2.gz ZXZBNCXCBAVYPY-OAHLLOKOSA-N 1 2 263.381 2.899 10 0 CFAELO Clc1cc(C[NH2+]Cc2nccs2)cc2c1OCO2 ZINC000040445430 174265073 /nfs/dbraw/zinc/26/50/73/174265073.db2.gz PCMUGEJNFPYTON-UHFFFAOYSA-N 1 2 282.752 2.815 10 0 CFAELO CCCCOCC[NH2+][C@H](c1ccco1)c1nccn1C ZINC000040506869 174302037 /nfs/dbraw/zinc/30/20/37/174302037.db2.gz WCAXFWPUWLCOEU-CQSZACIVSA-N 1 2 277.368 2.509 10 0 CFAELO CO[C@H]1C[NH2+][C@H](c2nc(C)c(-c3ccc(F)cc3)[nH]2)C1 ZINC000040637873 174362103 /nfs/dbraw/zinc/36/21/03/174362103.db2.gz MXGRFXOBXSVDQL-OLZOCXBDSA-N 1 2 275.327 2.574 10 0 CFAELO COc1ccc(C)cc1Nc1nc[nH+]c(N2CCCC2)c1N ZINC000040684176 174375253 /nfs/dbraw/zinc/37/52/53/174375253.db2.gz KWMAFELROOQFRG-UHFFFAOYSA-N 1 2 299.378 2.720 10 0 CFAELO CCNc1nc[nH+]c(Nc2ccccc2CC)c1N ZINC000040688180 174376131 /nfs/dbraw/zinc/37/61/31/174376131.db2.gz ATHBSLZBELLSNO-UHFFFAOYSA-N 1 2 257.341 2.797 10 0 CFAELO CCNc1[nH+]cnc(Nc2ccccc2CC)c1N ZINC000040688180 174376132 /nfs/dbraw/zinc/37/61/32/174376132.db2.gz ATHBSLZBELLSNO-UHFFFAOYSA-N 1 2 257.341 2.797 10 0 CFAELO CCOC1CC[NH+](CC(=O)c2ccc(C)s2)CC1 ZINC000040689713 174376336 /nfs/dbraw/zinc/37/63/36/174376336.db2.gz ZARWLUSOFGYLFJ-UHFFFAOYSA-N 1 2 267.394 2.740 10 0 CFAELO CCN(CC)c1nc[nH+]c(N(C)c2ccccc2)c1N ZINC000040723196 174385229 /nfs/dbraw/zinc/38/52/29/174385229.db2.gz OBWBXRLGCITIAT-UHFFFAOYSA-N 1 2 271.368 2.673 10 0 CFAELO CCN(CC)c1[nH+]cnc(N(C)c2ccccc2)c1N ZINC000040723196 174385230 /nfs/dbraw/zinc/38/52/30/174385230.db2.gz OBWBXRLGCITIAT-UHFFFAOYSA-N 1 2 271.368 2.673 10 0 CFAELO CCN(CC)c1nc[nH+]c(Nc2cccc(C)c2)c1N ZINC000040723227 174385584 /nfs/dbraw/zinc/38/55/84/174385584.db2.gz SOCXDAKWNGSPIZ-UHFFFAOYSA-N 1 2 271.368 2.957 10 0 CFAELO CCC(CC)N(C)c1[nH+]c(C)ccc1C(N)=S ZINC000043396699 175035991 /nfs/dbraw/zinc/03/59/91/175035991.db2.gz CDRHWTISWCPKFT-UHFFFAOYSA-N 1 2 251.399 2.649 10 0 CFAELO Cc1ccc(C(N)=S)c(N[C@H](C)Cc2ccco2)[nH+]1 ZINC000043396856 175036126 /nfs/dbraw/zinc/03/61/26/175036126.db2.gz MHZLLASZGJUKJV-SNVBAGLBSA-N 1 2 275.377 2.660 10 0 CFAELO Cc1ccc(C(N)=S)c(N(C)C2CCCCC2)[nH+]1 ZINC000043396398 175036292 /nfs/dbraw/zinc/03/62/92/175036292.db2.gz HMKMUUYTQDCBPH-UHFFFAOYSA-N 1 2 263.410 2.793 10 0 CFAELO Cc1ccc(C(N)=S)c(N(C)[C@@H](C)C(C)(C)C)[nH+]1 ZINC000043398497 175036812 /nfs/dbraw/zinc/03/68/12/175036812.db2.gz JMMHSNDBKJLHDR-JTQLQIEISA-N 1 2 265.426 2.895 10 0 CFAELO CC1(C)CC(=O)c2ccc(OCCn3cc[nH+]c3)cc2O1 ZINC000043460511 175051287 /nfs/dbraw/zinc/05/12/87/175051287.db2.gz ZIGSRKBMUIHVKT-UHFFFAOYSA-N 1 2 286.331 2.706 10 0 CFAELO COc1ccc2[nH]c(Sc3cc(N)cc[nH+]3)nc2c1 ZINC000043569678 175067863 /nfs/dbraw/zinc/06/78/63/175067863.db2.gz CJVKEZOICIHTJE-UHFFFAOYSA-N 1 2 272.333 2.700 10 0 CFAELO CCOC(=O)[C@H](C)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000043614999 175079882 /nfs/dbraw/zinc/07/98/82/175079882.db2.gz ZPFAKKVPWKIRIU-MRVPVSSYSA-N 1 2 268.263 2.514 10 0 CFAELO COC(=O)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000043626477 175081883 /nfs/dbraw/zinc/08/18/83/175081883.db2.gz PUASUECMEJPIBQ-MRVPVSSYSA-N 1 2 276.163 2.687 10 0 CFAELO Cc1cc(C[NH2+]Cc2nc3ccccc3s2)no1 ZINC000044296362 175160692 /nfs/dbraw/zinc/16/06/92/175160692.db2.gz WRJMVKDWMDKNCN-UHFFFAOYSA-N 1 2 259.334 2.883 10 0 CFAELO Nc1ccc(NCCCCn2cc[nH+]c2)c2cccnc12 ZINC000045105718 175307743 /nfs/dbraw/zinc/30/77/43/175307743.db2.gz VLQQDPPXHSHGES-UHFFFAOYSA-N 1 2 281.363 2.906 10 0 CFAELO CCC[NH2+][C@@](C)(CN(CC)c1ccccc1)C(=O)OCC ZINC000045232078 175335565 /nfs/dbraw/zinc/33/55/65/175335565.db2.gz MSFIBJBMVAMAKC-KRWDZBQOSA-N 1 2 292.423 2.834 10 0 CFAELO CCN(C[C@](C)([NH2+]C(C)C)C(=O)OC)c1cccc(F)c1 ZINC000045275416 175345491 /nfs/dbraw/zinc/34/54/91/175345491.db2.gz AKCAKQIKQBUKNZ-INIZCTEOSA-N 1 2 296.386 2.582 10 0 CFAELO CCCCC[N@H+](C[C@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045278537 175348078 /nfs/dbraw/zinc/34/80/78/175348078.db2.gz VNILSTUTBUWKAK-HNNXBMFYSA-N 1 2 272.433 2.728 10 0 CFAELO CCCCC[N@@H+](C[C@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045278537 175348079 /nfs/dbraw/zinc/34/80/79/175348079.db2.gz VNILSTUTBUWKAK-HNNXBMFYSA-N 1 2 272.433 2.728 10 0 CFAELO CC[NH2+][C@@](C)(CCC[N@H+](CC)c1ccccc1)C(=O)[O-] ZINC000045379901 175369362 /nfs/dbraw/zinc/36/93/62/175369362.db2.gz WRGWDWZKNWNUGJ-INIZCTEOSA-N 1 2 278.396 2.746 10 0 CFAELO CC[NH2+][C@@](C)(CCC[N@@H+](CC)c1ccccc1)C(=O)[O-] ZINC000045379901 175369363 /nfs/dbraw/zinc/36/93/63/175369363.db2.gz WRGWDWZKNWNUGJ-INIZCTEOSA-N 1 2 278.396 2.746 10 0 CFAELO [NH3+][C@@H](c1nc(-c2ccccc2F)no1)c1ccccc1 ZINC000045893198 175385619 /nfs/dbraw/zinc/38/56/19/175385619.db2.gz COGHTNCYXJLGFI-CYBMUJFWSA-N 1 2 269.279 2.924 10 0 CFAELO Cc1cc(C)c(C)c(COC(=O)C[NH2+]C(C)C)c1C ZINC000076363658 177003512 /nfs/dbraw/zinc/00/35/12/177003512.db2.gz OWZCEJSSVNFLGY-UHFFFAOYSA-N 1 2 263.381 2.961 10 0 CFAELO [NH3+]N1CCC[C@H](c2ccc(Br)cc2)C1 ZINC000077609740 177286153 /nfs/dbraw/zinc/28/61/53/177286153.db2.gz NVMRFHQNTYDPQM-JTQLQIEISA-N 1 2 255.159 2.502 10 0 CFAELO CCCC[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)OC ZINC000230490013 270260087 /nfs/dbraw/zinc/26/00/87/270260087.db2.gz WQYIYDWLJBEUQK-LSDHHAIUSA-N 1 2 261.365 2.995 10 0 CFAELO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)[nH]1 ZINC000392346677 270306577 /nfs/dbraw/zinc/30/65/77/270306577.db2.gz NPLJBYRUWHEEMD-JGVFFNPUSA-N 1 2 266.295 2.803 10 0 CFAELO COC(=O)c1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cs1 ZINC000411172540 277151485 /nfs/dbraw/zinc/15/14/85/277151485.db2.gz MBZPHMCTLMQMEI-CHWSQXEVSA-N 1 2 295.404 2.678 10 0 CFAELO COC(=O)c1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cs1 ZINC000411172540 277151487 /nfs/dbraw/zinc/15/14/87/277151487.db2.gz MBZPHMCTLMQMEI-CHWSQXEVSA-N 1 2 295.404 2.678 10 0 CFAELO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2F)C1 ZINC000095642320 277189139 /nfs/dbraw/zinc/18/91/39/277189139.db2.gz KZPOSZVSBXRQDP-GFCCVEGCSA-N 1 2 298.333 2.846 10 0 CFAELO Cc1nc(N2CCS[C@@H](C)C2)c2c([nH+]1)CCCC2 ZINC000180434287 279111721 /nfs/dbraw/zinc/11/17/21/279111721.db2.gz NXDJBYPOLHGSOY-JTQLQIEISA-N 1 2 263.410 2.606 10 0 CFAELO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000536624354 281524649 /nfs/dbraw/zinc/52/46/49/281524649.db2.gz JVYGWLMYIFYEON-WPRPVWTQSA-N 1 2 250.371 2.597 10 0 CFAELO Cc1nc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cs1 ZINC000120824806 293263650 /nfs/dbraw/zinc/26/36/50/293263650.db2.gz GXQSUKMTBNHZLZ-ZDUSSCGKSA-N 1 2 262.382 2.902 10 0 CFAELO Cc1nc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cs1 ZINC000120824806 293263652 /nfs/dbraw/zinc/26/36/52/293263652.db2.gz GXQSUKMTBNHZLZ-ZDUSSCGKSA-N 1 2 262.382 2.902 10 0 CFAELO Cc1csc([C@@H](C)[NH2+]Cc2nnc(C(C)C)n2C)n1 ZINC000184207847 323938355 /nfs/dbraw/zinc/93/83/55/323938355.db2.gz MNIQDCKHEXUKBK-SNVBAGLBSA-N 1 2 279.413 2.554 10 0 CFAELO CC(C)c1nnc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)n1C ZINC000195019489 324100656 /nfs/dbraw/zinc/10/06/56/324100656.db2.gz RIRDCHXNIGDGMP-JTQLQIEISA-N 1 2 290.333 2.713 10 0 CFAELO CC(C)c1nnc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)n1C ZINC000195019489 324100659 /nfs/dbraw/zinc/10/06/59/324100659.db2.gz RIRDCHXNIGDGMP-JTQLQIEISA-N 1 2 290.333 2.713 10 0 CFAELO CCCNc1snnc1C[N@H+](CCOC)[C@@H](C)CC ZINC000050816995 520202108 /nfs/dbraw/zinc/20/21/08/520202108.db2.gz ROKDBXKWEKDPDR-NSHDSACASA-N 1 2 286.445 2.607 10 0 CFAELO CCCNc1snnc1C[N@@H+](CCOC)[C@@H](C)CC ZINC000050816995 520202117 /nfs/dbraw/zinc/20/21/17/520202117.db2.gz ROKDBXKWEKDPDR-NSHDSACASA-N 1 2 286.445 2.607 10 0 CFAELO CCCNc1snnc1C[N@H+](C)C[C@@H](C)CC ZINC000050813236 520202312 /nfs/dbraw/zinc/20/23/12/520202312.db2.gz UEKSAXOXNHVUML-JTQLQIEISA-N 1 2 256.419 2.838 10 0 CFAELO CCCNc1snnc1C[N@@H+](C)C[C@@H](C)CC ZINC000050813236 520202327 /nfs/dbraw/zinc/20/23/27/520202327.db2.gz UEKSAXOXNHVUML-JTQLQIEISA-N 1 2 256.419 2.838 10 0 CFAELO CC(C)(C)c1nc(NCCC2=CCOCC2)cc[nH+]1 ZINC000158079746 519116964 /nfs/dbraw/zinc/11/69/64/519116964.db2.gz XIJWGJRGNMGLLR-UHFFFAOYSA-N 1 2 261.369 2.923 10 0 CFAELO CC(C)OC(=O)CC[N@@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173601308 519745795 /nfs/dbraw/zinc/74/57/95/519745795.db2.gz VQSUQUZPXVDZLS-LBPRGKRZSA-N 1 2 295.383 2.672 10 0 CFAELO CC(C)OC(=O)CC[N@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173601308 519745797 /nfs/dbraw/zinc/74/57/97/519745797.db2.gz VQSUQUZPXVDZLS-LBPRGKRZSA-N 1 2 295.383 2.672 10 0 CFAELO CC(C)c1ccccc1NC(=O)c1cccc(NN)[nH+]1 ZINC000051090004 519846379 /nfs/dbraw/zinc/84/63/79/519846379.db2.gz BAXLXZCXXCSVJC-UHFFFAOYSA-N 1 2 270.336 2.743 10 0 CFAELO CCC[NH2+][C@H](CCSCc1ccco1)C(=O)OCC ZINC000062596447 520079014 /nfs/dbraw/zinc/07/90/14/520079014.db2.gz XOEOKLXDQULGJZ-CYBMUJFWSA-N 1 2 285.409 2.834 10 0 CFAELO CC[NH2+][C@@H](c1nnc([C@H]2CCCO2)o1)c1ccccc1 ZINC000050618155 520115037 /nfs/dbraw/zinc/11/50/37/520115037.db2.gz SETDFRIXYVTZHX-CHWSQXEVSA-N 1 2 273.336 2.620 10 0 CFAELO CC(C)n1nnnc1C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000195104873 520142658 /nfs/dbraw/zinc/14/26/58/520142658.db2.gz FRXXQNORKWQMJC-MRXNPFEDSA-N 1 2 297.406 2.906 10 0 CFAELO CC(C)n1nnnc1C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000195104873 520142666 /nfs/dbraw/zinc/14/26/66/520142666.db2.gz FRXXQNORKWQMJC-MRXNPFEDSA-N 1 2 297.406 2.906 10 0 CFAELO CCCNc1ccc(COCCOC(C)C)c[nH+]1 ZINC000050832090 520159604 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CC[N@H+]1CCC[C@H](n2c(C)[nH+]c3cc(C(=O)[O-])ccc32)C1 ZINC000049223246 521650525 /nfs/dbraw/zinc/65/05/25/521650525.db2.gz SVKLHUXAYCXKNX-ZDUSSCGKSA-N 1 2 287.363 2.700 10 0 CFAELO CCC[N@H+](Cc1nnc(CC)n1C)Cc1ccccc1 ZINC000195016378 521696131 /nfs/dbraw/zinc/69/61/31/521696131.db2.gz TZJLWHIMUPISPS-UHFFFAOYSA-N 1 2 272.396 2.790 10 0 CFAELO CCC[N@@H+](Cc1nnc(CC)n1C)Cc1ccccc1 ZINC000195016378 521696133 /nfs/dbraw/zinc/69/61/33/521696133.db2.gz TZJLWHIMUPISPS-UHFFFAOYSA-N 1 2 272.396 2.790 10 0 CFAELO CNc1ccc(COc2ccc(CCOC)cc2)c[nH+]1 ZINC000050832872 522612647 /nfs/dbraw/zinc/61/26/47/522612647.db2.gz XXPFLTWBYDGSSP-UHFFFAOYSA-N 1 2 272.348 2.891 10 0 CFAELO CNc1nc(-c2ccc3c(c2)OCCCO3)[nH+]c(C)c1C ZINC000050865935 522676753 /nfs/dbraw/zinc/67/67/53/522676753.db2.gz GJWZFNOTNLYTAV-UHFFFAOYSA-N 1 2 285.347 2.963 10 0 CFAELO CNc1nc(-c2ccc3c(c2)OCO3)[nH+]c(C)c1C ZINC000050865920 522677070 /nfs/dbraw/zinc/67/70/70/522677070.db2.gz GXESUBHEPBGSCN-UHFFFAOYSA-N 1 2 257.293 2.531 10 0 CFAELO 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COc1ccc(C[NH2+][C@@H](C)c2ncc(C)o2)c(OC)c1 ZINC000220913590 524083728 /nfs/dbraw/zinc/08/37/28/524083728.db2.gz LYJHFGKHRJXJGQ-NSHDSACASA-N 1 2 276.336 2.851 10 0 CFAELO Cc1cc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)on1 ZINC000173934401 524120198 /nfs/dbraw/zinc/12/01/98/524120198.db2.gz QMQMQBQYOTXWNZ-LBPRGKRZSA-N 1 2 296.330 2.660 10 0 CFAELO C[C@H](CNC(=O)[C@H]1C[C@H]1C1CCCCC1)Cn1cc[nH+]c1 ZINC000245415920 524454668 /nfs/dbraw/zinc/45/46/68/524454668.db2.gz HAUIQLZFIQHLCU-KBMXLJTQSA-N 1 2 289.423 2.852 10 0 CFAELO Cc1cccc(N(C)c2cc[nH+]c(C(N)=S)c2)c1 ZINC000061813261 524522390 /nfs/dbraw/zinc/52/23/90/524522390.db2.gz QVIFYTIWKJPXHG-UHFFFAOYSA-N 1 2 257.362 2.792 10 0 CFAELO Cc1ccc(CNc2cc[nH+]c(C(N)=S)c2)cc1 ZINC000061812223 524618678 /nfs/dbraw/zinc/61/86/78/524618678.db2.gz FXBQHJFLUNDTKN-UHFFFAOYSA-N 1 2 257.362 2.636 10 0 CFAELO C[C@H](Cn1cc[nH+]c1)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000049234833 524793751 /nfs/dbraw/zinc/79/37/51/524793751.db2.gz IHSBMPMFSYNPOB-SECBINFHSA-N 1 2 284.285 2.985 10 0 CFAELO C[C@H](Cn1cc[nH+]c1)Nc1ccc(N)c2cccnc12 ZINC000049234777 524795373 /nfs/dbraw/zinc/79/53/73/524795373.db2.gz WVXXIJRPDQZQQP-LLVKDONJSA-N 1 2 267.336 2.514 10 0 CFAELO C[C@H](Cn1cc[nH+]c1)Nc1ccc(Cl)cc1N ZINC000049234827 524795782 /nfs/dbraw/zinc/79/57/82/524795782.db2.gz ZYNNFXFWNUVHCH-SECBINFHSA-N 1 2 250.733 2.619 10 0 CFAELO C[C@@H](Cc1ccsc1)[NH2+]CC(=O)OC(C)(C)C ZINC000049182031 524938556 /nfs/dbraw/zinc/93/85/56/524938556.db2.gz UDCXOYNHINBUME-JTQLQIEISA-N 1 2 255.383 2.610 10 0 CFAELO Cc1cc(N)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000050845099 525041586 /nfs/dbraw/zinc/04/15/86/525041586.db2.gz CXHSRLTUNLGQRU-UHFFFAOYSA-N 1 2 264.126 2.797 10 0 CFAELO Cc1cc(N2CC[C@]3(O)CCCC[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000151028131 525095568 /nfs/dbraw/zinc/09/55/68/525095568.db2.gz BJQRPYWNCSTLMV-RHSMWYFYSA-N 1 2 287.407 2.794 10 0 CFAELO C[C@H](NC(=O)c1ccc[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173923793 525227159 /nfs/dbraw/zinc/22/71/59/525227159.db2.gz VWKCDSQIIKJOBE-LBPRGKRZSA-N 1 2 280.331 2.691 10 0 CFAELO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1nnc2n1CCCC2 ZINC000194904299 525610979 /nfs/dbraw/zinc/61/09/79/525610979.db2.gz FJZMMPUVIMVNCL-NWDGAFQWSA-N 1 2 286.379 2.732 10 0 CFAELO COc1cccc(C[NH2+][C@@H](C)c2ncc(C)o2)c1OC ZINC000220913011 526032865 /nfs/dbraw/zinc/03/28/65/526032865.db2.gz RNCGPXBEBVPETF-NSHDSACASA-N 1 2 276.336 2.851 10 0 CFAELO Fc1ccc(C[NH2+]Cc2ncccn2)cc1Cl ZINC000054459822 526339677 /nfs/dbraw/zinc/33/96/77/526339677.db2.gz NHWINBBRVOEKOX-UHFFFAOYSA-N 1 2 251.692 2.559 10 0 CFAELO Cc1nc(C[NH2+]Cc2ccc(F)cc2F)oc1C ZINC000051017485 526889391 /nfs/dbraw/zinc/88/93/91/526889391.db2.gz LCDLUTGRIXDVGV-UHFFFAOYSA-N 1 2 252.264 2.859 10 0 CFAELO NC(=S)c1cc2c([nH+]c1N1Cc3ccccc3C1)CCC2 ZINC000050912578 527117802 /nfs/dbraw/zinc/11/78/02/527117802.db2.gz ZRFANPWKOJJYIB-UHFFFAOYSA-N 1 2 295.411 2.725 10 0 CFAELO [NH3+][C@H](c1nc(COc2ccccc2)no1)c1ccccc1 ZINC000054436116 527392052 /nfs/dbraw/zinc/39/20/52/527392052.db2.gz GLGLFUVCLNSVSF-HNNXBMFYSA-N 1 2 281.315 2.697 10 0 CFAELO Nc1c[nH+]ccc1NC(=O)c1ccc(F)cc1Cl ZINC000062725696 527537312 /nfs/dbraw/zinc/53/73/12/527537312.db2.gz WWVPHYOSTWDPHW-UHFFFAOYSA-N 1 2 265.675 2.709 10 0 CFAELO Nc1nc(-c2ccc3c(c2)CCO3)[nH+]c2c1CCCC2 ZINC000050867187 527540109 /nfs/dbraw/zinc/54/01/09/527540109.db2.gz CBPQNQNBALTZBP-UHFFFAOYSA-N 1 2 267.332 2.540 10 0 CFAELO Cc1ccc([C@H](C)[NH2+]Cc2nc(Br)c[nH]2)o1 ZINC000309182817 618264049 /nfs/dbraw/zinc/26/40/49/618264049.db2.gz AMBSPUBKPDPLNZ-QMMMGPOBSA-N 1 2 284.157 2.924 10 0 CFAELO O=Cc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000031997320 623856299 /nfs/dbraw/zinc/85/62/99/623856299.db2.gz JIPXPPMBOPXFLM-UHFFFAOYSA-N 1 2 281.355 2.998 10 0 CFAELO C[C@H](NC(=O)C1=CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074174003 626457360 /nfs/dbraw/zinc/45/73/60/626457360.db2.gz BDXYIELHLFXETI-ZDUSSCGKSA-N 1 2 297.358 2.744 10 0 CFAELO CS[C@H]1CCC[C@H]1[N@H+](C)Cc1noc(C2CC2)n1 ZINC000076146887 650368982 /nfs/dbraw/zinc/36/89/82/650368982.db2.gz KFPUOJIMQSJUSM-MNOVXSKESA-N 1 2 267.398 2.663 10 0 CFAELO CS[C@H]1CCC[C@H]1[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000076146887 650368986 /nfs/dbraw/zinc/36/89/86/650368986.db2.gz KFPUOJIMQSJUSM-MNOVXSKESA-N 1 2 267.398 2.663 10 0 CFAELO CCC[C@H]([NH2+]C[C@@H]1CCC=CO1)C(=O)OC(C)(C)C ZINC000191119736 650479559 /nfs/dbraw/zinc/47/95/59/650479559.db2.gz OOVPEJHPRUBUSB-STQMWFEESA-N 1 2 269.385 2.779 10 0 CFAELO C[C@H]1C[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCO1 ZINC000246428152 650869110 /nfs/dbraw/zinc/86/91/10/650869110.db2.gz AYWPQZJBIQZKRI-SMDDNHRTSA-N 1 2 294.782 2.554 10 0 CFAELO C[C@H]1C[N@@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCO1 ZINC000246428152 650869111 /nfs/dbraw/zinc/86/91/11/650869111.db2.gz AYWPQZJBIQZKRI-SMDDNHRTSA-N 1 2 294.782 2.554 10 0 CFAELO Nc1c(-c2cccnc2)[nH+]c2c(Br)cccn12 ZINC000082695917 178192868 /nfs/dbraw/zinc/19/28/68/178192868.db2.gz ZTYGEKYSZQNWFU-UHFFFAOYSA-N 1 2 289.136 2.741 10 0 CFAELO Cc1cc(NC(=O)c2ccc(Cl)c(N)c2)cc[nH+]1 ZINC000082698016 178197299 /nfs/dbraw/zinc/19/72/99/178197299.db2.gz 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ZYOLWAPZVQXTTM-MRXNPFEDSA-N 1 2 286.762 2.995 10 0 CFAELO Cc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(F)cc2)o1 ZINC000192951455 539546618 /nfs/dbraw/zinc/54/66/18/539546618.db2.gz VWAXCOGFRZPLIP-YGRLFVJLSA-N 1 2 276.311 2.604 10 0 CFAELO CC[N@H+](CCCNC(=O)N[C@H]1C[C@@H]1C)c1ccccc1 ZINC000075977970 347111874 /nfs/dbraw/zinc/11/18/74/347111874.db2.gz MYWIEFRVSMKBRV-ZFWWWQNUSA-N 1 2 275.396 2.611 10 0 CFAELO CC[N@@H+](CCCNC(=O)N[C@H]1C[C@@H]1C)c1ccccc1 ZINC000075977970 347111878 /nfs/dbraw/zinc/11/18/78/347111878.db2.gz MYWIEFRVSMKBRV-ZFWWWQNUSA-N 1 2 275.396 2.611 10 0 CFAELO Brc1ccc([C@@H]2[NH2+]CCCS2)nc1 ZINC000130054541 347866639 /nfs/dbraw/zinc/86/66/39/347866639.db2.gz FXWRZWMMRWNWLV-SECBINFHSA-N 1 2 259.172 2.569 10 0 CFAELO Cc1cn(-c2ccc(I)cc2)c[nH+]1 ZINC000140528846 347926546 /nfs/dbraw/zinc/92/65/46/347926546.db2.gz CRZPXCRREVGUEG-UHFFFAOYSA-N 1 2 284.100 2.785 10 0 CFAELO Brc1cccn2c3c([nH+]c12)CCCC3 ZINC000136554012 347910997 /nfs/dbraw/zinc/91/09/97/347910997.db2.gz LYOOWJQFWWGMKS-UHFFFAOYSA-N 1 2 251.127 2.976 10 0 CFAELO COC(=O)c1ccc(F)cc1[C@@H](C)Oc1ccc[nH+]c1N ZINC000147857106 347948797 /nfs/dbraw/zinc/94/87/97/347948797.db2.gz GMFQSQNAGPWXPZ-SECBINFHSA-N 1 2 290.294 2.730 10 0 CFAELO COC(=O)[C@H]([NH2+]Cc1c(C)[nH]c2ccccc21)C(C)C ZINC000086806767 179339680 /nfs/dbraw/zinc/33/96/80/179339680.db2.gz QLFOKGLJGRREER-OAHLLOKOSA-N 1 2 274.364 2.764 10 0 CFAELO Brc1c[nH+]ccc1-n1ccc(C2CC2)n1 ZINC000164092424 348036148 /nfs/dbraw/zinc/03/61/48/348036148.db2.gz OHYQRHBURCHOBN-UHFFFAOYSA-N 1 2 264.126 2.907 10 0 CFAELO CC(C)(C)OC(=O)N1CC=C(c2ccc(N)[nH+]c2)CC1 ZINC000167976144 348047090 /nfs/dbraw/zinc/04/70/90/348047090.db2.gz GJKPPQXNOJOCQU-UHFFFAOYSA-N 1 2 275.352 2.688 10 0 CFAELO C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173938542 348111626 /nfs/dbraw/zinc/11/16/26/348111626.db2.gz HZRIFOQWLNPVEZ-TYNCELHUSA-N 1 2 269.348 2.706 10 0 CFAELO O=C(C[C@@H]1c2ccccc2-c2c[nH+]cn21)C1CCOCC1 ZINC000207685767 348156719 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ZINC000616637541 352394932 /nfs/dbraw/zinc/39/49/32/352394932.db2.gz APZLSZKPIKUYRH-SFHVURJKSA-N 1 2 283.371 2.752 10 0 CFAELO COC(=O)N1c2ccccc2CC[C@@H]1c1c[nH+]c[nH]1 ZINC000616668274 352405555 /nfs/dbraw/zinc/40/55/55/352405555.db2.gz UAZJRHDQKHNSNB-CYBMUJFWSA-N 1 2 257.293 2.670 10 0 CFAELO COC(=O)N1c2ccccc2CC[C@@H]1c1c[nH]c[nH+]1 ZINC000616668274 352405559 /nfs/dbraw/zinc/40/55/59/352405559.db2.gz UAZJRHDQKHNSNB-CYBMUJFWSA-N 1 2 257.293 2.670 10 0 CFAELO COC(=O)N1C[C@@H](Nc2cccc[nH+]2)Cc2ccccc21 ZINC000616670552 352406012 /nfs/dbraw/zinc/40/60/12/352406012.db2.gz IISIVFBTSUOZDX-ZDUSSCGKSA-N 1 2 283.331 2.691 10 0 CFAELO CCOC(=O)N1C[C@@H](c2[nH]cc[nH+]2)Cc2ccccc21 ZINC000616670511 352406132 /nfs/dbraw/zinc/40/61/32/352406132.db2.gz HNYXICJVPXYTSE-LBPRGKRZSA-N 1 2 271.320 2.713 10 0 CFAELO CCOC(=O)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000616670848 352406318 /nfs/dbraw/zinc/40/63/18/352406318.db2.gz QXSUVLWFYCBLEJ-CYBMUJFWSA-N 1 2 271.320 2.643 10 0 CFAELO COc1ccc([NH2+]CCNC(=O)OC(C)(C)C)c(OC)c1 ZINC000134662301 187766708 /nfs/dbraw/zinc/76/67/08/187766708.db2.gz QCUMXFQTIWOWTD-UHFFFAOYSA-N 1 2 296.367 2.640 10 0 CFAELO Cc1nccnc1C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000621327663 353324568 /nfs/dbraw/zinc/32/45/68/353324568.db2.gz WAXZPUZLFXALRB-SECBINFHSA-N 1 2 263.291 2.914 10 0 CFAELO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cc(F)cc(F)c1 ZINC000164734011 188626638 /nfs/dbraw/zinc/62/66/38/188626638.db2.gz MKXURZAQFGDALO-RNCFNFMXSA-N 1 2 278.306 2.742 10 0 CFAELO Brc1cnsc1C[NH2+]Cc1ccccn1 ZINC000667413119 540284392 /nfs/dbraw/zinc/28/43/92/540284392.db2.gz VUTYSZWXIYBJDM-UHFFFAOYSA-N 1 2 284.182 2.590 10 0 CFAELO CNc1ccc(COc2ccc(F)c(F)c2)c[nH+]1 ZINC000050833135 522612031 /nfs/dbraw/zinc/61/20/31/522612031.db2.gz ULRZJIBEXPFKDP-UHFFFAOYSA-N 1 2 250.248 2.981 10 0 CFAELO Nc1ccc(NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)c[nH+]1 ZINC000237990906 540472440 /nfs/dbraw/zinc/47/24/40/540472440.db2.gz CLPXCTISXFHGPU-ZBFHGGJFSA-N 1 2 297.358 2.770 10 0 CFAELO CCn1c(C)nnc1C[NH2+][C@@H](C)c1ccsc1 ZINC000669939644 540623054 /nfs/dbraw/zinc/62/30/54/540623054.db2.gz XGMUIMBFUTUHIU-VIFPVBQESA-N 1 2 250.371 2.519 10 0 CFAELO CC(C)n1ccc(C[S@@](=O)Cc2[nH+]ccn2C(C)C)n1 ZINC000176842066 189011201 /nfs/dbraw/zinc/01/12/01/189011201.db2.gz MRGQLZBSGQRLSL-HXUWFJFHSA-N 1 2 294.424 2.690 10 0 CFAELO CC(C)n1cc[nH+]c1C[S@](=O)c1ccc(F)cc1 ZINC000177073170 189026919 /nfs/dbraw/zinc/02/69/19/189026919.db2.gz VJXMKCGMYGDRPG-SFHVURJKSA-N 1 2 266.341 2.911 10 0 CFAELO COc1cccc([S@@](=O)Cc2[nH+]ccn2C(C)C)c1 ZINC000177098349 189028882 /nfs/dbraw/zinc/02/88/82/189028882.db2.gz HGRITCHKDHIPFI-IBGZPJMESA-N 1 2 278.377 2.780 10 0 CFAELO Cc1ccc([C@@H]2CCCC[N@H+]2CCS(=O)(=O)C(C)C)o1 ZINC000178232174 189099535 /nfs/dbraw/zinc/09/95/35/189099535.db2.gz WYYWOGZVEAOUCQ-AWEZNQCLSA-N 1 2 299.436 2.938 10 0 CFAELO Cc1ccc([C@@H]2CCCC[N@@H+]2CCS(=O)(=O)C(C)C)o1 ZINC000178232174 189099536 /nfs/dbraw/zinc/09/95/36/189099536.db2.gz WYYWOGZVEAOUCQ-AWEZNQCLSA-N 1 2 299.436 2.938 10 0 CFAELO CCn1c(C)nnc1C[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000178376622 189112018 /nfs/dbraw/zinc/11/20/18/189112018.db2.gz LJRPYJUWFJPHTP-GFCCVEGCSA-N 1 2 288.395 2.895 10 0 CFAELO CCn1c(C)nnc1C[N@@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000178376622 189112019 /nfs/dbraw/zinc/11/20/19/189112019.db2.gz LJRPYJUWFJPHTP-GFCCVEGCSA-N 1 2 288.395 2.895 10 0 CFAELO CC(C)c1ncc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)s1 ZINC000178933158 189155641 /nfs/dbraw/zinc/15/56/41/189155641.db2.gz CBKZSGKPFMZXCS-LBPRGKRZSA-N 1 2 293.436 2.577 10 0 CFAELO CC(C)c1ncc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)s1 ZINC000178933158 189155642 /nfs/dbraw/zinc/15/56/42/189155642.db2.gz CBKZSGKPFMZXCS-LBPRGKRZSA-N 1 2 293.436 2.577 10 0 CFAELO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nnc(C)n1CC ZINC000179261453 189181575 /nfs/dbraw/zinc/18/15/75/189181575.db2.gz JSSNPEJIRNRACJ-AWEZNQCLSA-N 1 2 273.384 2.585 10 0 CFAELO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nnc(C)n1CC ZINC000179261453 189181576 /nfs/dbraw/zinc/18/15/76/189181576.db2.gz JSSNPEJIRNRACJ-AWEZNQCLSA-N 1 2 273.384 2.585 10 0 CFAELO C[C@@H]1C[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCO1 ZINC000179312755 189185604 /nfs/dbraw/zinc/18/56/04/189185604.db2.gz AYWPQZJBIQZKRI-RISCZKNCSA-N 1 2 294.782 2.554 10 0 CFAELO C[C@@H]1C[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCO1 ZINC000179312755 189185605 /nfs/dbraw/zinc/18/56/05/189185605.db2.gz AYWPQZJBIQZKRI-RISCZKNCSA-N 1 2 294.782 2.554 10 0 CFAELO CCc1ccc([C@@H](C)[NH2+]Cc2nc(COC)no2)cc1 ZINC000180234620 189244986 /nfs/dbraw/zinc/24/49/86/189244986.db2.gz UVVNYWXUBUOZAM-LLVKDONJSA-N 1 2 275.352 2.629 10 0 CFAELO Cc1cccnc1CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000180483641 189257794 /nfs/dbraw/zinc/25/77/94/189257794.db2.gz DSEXXYMWICXOOC-UHFFFAOYSA-N 1 2 284.407 2.805 10 0 CFAELO CCn1c(C)nnc1C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000181954560 189310642 /nfs/dbraw/zinc/31/06/42/189310642.db2.gz GYVJVLDVMNYDEF-VIFPVBQESA-N 1 2 280.322 2.735 10 0 CFAELO C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)c1cccc(F)c1F ZINC000181950488 189310656 /nfs/dbraw/zinc/31/06/56/189310656.db2.gz BPTAQUOHOCJIFM-SECBINFHSA-N 1 2 292.333 2.822 10 0 CFAELO CCc1nnc(C[NH2+][C@@H](C)c2cccc(F)c2F)n1C ZINC000181972788 189311131 /nfs/dbraw/zinc/31/11/31/189311131.db2.gz MGJOTSQLDPFPEJ-VIFPVBQESA-N 1 2 280.322 2.507 10 0 CFAELO COCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2)n1 ZINC000183039282 189344130 /nfs/dbraw/zinc/34/41/30/189344130.db2.gz ZWPQRPKNAJGYKU-VXGBXAGGSA-N 1 2 275.352 2.936 10 0 CFAELO O=C(N[C@H]1CCOc2ccccc21)c1ccc2[nH+]ccn2c1 ZINC000057778433 284216586 /nfs/dbraw/zinc/21/65/86/284216586.db2.gz DDPVGGLIGPAYAG-AWEZNQCLSA-N 1 2 293.326 2.588 10 0 CFAELO CC[C@@H](O)c1c[nH+]c2ccc(Br)cn21 ZINC000031935523 372423554 /nfs/dbraw/zinc/42/35/54/372423554.db2.gz IJZUDNLYSCTHEP-SECBINFHSA-N 1 2 255.115 2.540 10 0 CFAELO CC1(C)Cc2ccccc2C(CC[NH+]2CCOCC2)=N1 ZINC000033901874 372501953 /nfs/dbraw/zinc/50/19/53/372501953.db2.gz UFFBANIKBVWTQU-UHFFFAOYSA-N 1 2 272.392 2.533 10 0 CFAELO C[C@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)C(N)=O ZINC000035793084 372551518 /nfs/dbraw/zinc/55/15/18/372551518.db2.gz FGJSORIXWVHCKZ-WDSKDSINSA-N 1 2 279.142 2.657 10 0 CFAELO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1cccs1 ZINC000036980856 372620789 /nfs/dbraw/zinc/62/07/89/372620789.db2.gz AKGWQQWJZOLVPQ-MNOVXSKESA-N 1 2 255.383 2.986 10 0 CFAELO CCc1ccccc1NC(=O)[C@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000042242430 372893898 /nfs/dbraw/zinc/89/38/98/372893898.db2.gz FAPXCDZRYXKCEH-MCIONIFRSA-N 1 2 290.407 2.685 10 0 CFAELO CC[C@@H](O)C[NH+]1CCN(CC2CCC(C)(C)CC2)CC1 ZINC000123548183 220211895 /nfs/dbraw/zinc/21/18/95/220211895.db2.gz VCYBQARKUWXXBL-MRXNPFEDSA-N 1 2 282.472 2.591 10 0 CFAELO CC(C)[C@@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894279 373574022 /nfs/dbraw/zinc/57/40/22/373574022.db2.gz MUSQSDWXWGBYEJ-CYBMUJFWSA-N 1 2 286.379 2.716 10 0 CFAELO CNc1cccc(CCNC(=O)OCc2ccccc2)[nH+]1 ZINC000066055021 373909854 /nfs/dbraw/zinc/90/98/54/373909854.db2.gz CUGUIOYWIOUXJO-UHFFFAOYSA-N 1 2 285.347 2.592 10 0 CFAELO COc1ccc(-c2noc([C@H]([NH3+])c3ccccc3)n2)cc1F 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CCc1nnc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)o1 ZINC000192502899 393624874 /nfs/dbraw/zinc/62/48/74/393624874.db2.gz DOAPAMAQWMWIBG-QMMMGPOBSA-N 1 2 267.279 2.761 10 0 CFAELO CCn1cc[nH+]c1CSCc1noc(C2CC2)n1 ZINC000083634109 393744270 /nfs/dbraw/zinc/74/42/70/393744270.db2.gz SPCULJSPRXHRRM-UHFFFAOYSA-N 1 2 264.354 2.597 10 0 CFAELO FC(F)(F)c1ccc2[nH]c(-n3cc[nH+]c3)nc2c1 ZINC000095931561 393813055 /nfs/dbraw/zinc/81/30/55/393813055.db2.gz GGMWPRBFBQARQJ-UHFFFAOYSA-N 1 2 252.199 2.767 10 0 CFAELO CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)OC)cc1 ZINC000105979957 393865587 /nfs/dbraw/zinc/86/55/87/393865587.db2.gz NMJOUTDDPKGDTC-HNNXBMFYSA-N 1 2 277.364 2.613 10 0 CFAELO CCOc1ccc(C[N@H+]2CCCC[C@H]2C(=O)OC)cc1 ZINC000105979957 393865591 /nfs/dbraw/zinc/86/55/91/393865591.db2.gz NMJOUTDDPKGDTC-HNNXBMFYSA-N 1 2 277.364 2.613 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@@H](O)c1ccccc1)C2 ZINC000106370690 393866192 /nfs/dbraw/zinc/86/61/92/393866192.db2.gz PYQHGSQLGNELNR-QGZVFWFLSA-N 1 2 299.418 2.635 10 0 CFAELO 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/nfs/dbraw/zinc/39/00/53/292390053.db2.gz ZNZMBYPGVNXHOY-HZPDHXFCSA-N 1 2 285.391 2.786 10 0 CFAELO CCC[NH2+]CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000004859621 170032149 /nfs/dbraw/zinc/03/21/49/170032149.db2.gz PIYQZOGDMAEACK-SLEUVZQESA-N 1 2 253.386 2.744 10 0 CFAELO Nc1nc(N)c2c(cccc2Sc2ccc(O)cc2)[nH+]1 ZINC000005974273 170164932 /nfs/dbraw/zinc/16/49/32/170164932.db2.gz OGRUZUGYNICKGM-UHFFFAOYSA-N 1 2 284.344 2.651 10 0 CFAELO O=C(Cn1cc[nH+]c1)Nc1ccc(C(F)(F)F)cc1 ZINC000008775309 170355387 /nfs/dbraw/zinc/35/53/87/170355387.db2.gz ZCCBBPQRVVEBEC-UHFFFAOYSA-N 1 2 269.226 2.541 10 0 CFAELO C[C@@H](O)c1[nH+]c2cc(N)ccc2n1Cc1ccccc1 ZINC000019958675 170942294 /nfs/dbraw/zinc/94/22/94/170942294.db2.gz STBOLPFUFWPPIE-LLVKDONJSA-N 1 2 267.332 2.720 10 0 CFAELO Clc1cccc(NCC[NH+]2CCOCC2)c1Cl ZINC000020246416 171100548 /nfs/dbraw/zinc/10/05/48/171100548.db2.gz CNYMMVPGQVMINH-UHFFFAOYSA-N 1 2 275.179 2.738 10 0 CFAELO COC(=O)CCSCc1[nH+]cc(C)c(OC)c1C ZINC000020426950 171192430 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173135650 /nfs/dbraw/zinc/13/56/50/173135650.db2.gz FGLOXMZRAJZSKT-GFCCVEGCSA-N 1 2 265.328 2.979 10 0 CFAELO CC[C@@H]1CCCC[N@H+]1CC(=O)c1cc(F)ccc1O ZINC000037334628 173135653 /nfs/dbraw/zinc/13/56/53/173135653.db2.gz FGLOXMZRAJZSKT-GFCCVEGCSA-N 1 2 265.328 2.979 10 0 CFAELO CC[C@H](C)C[N@H+](C)CC(=O)c1cc(F)ccc1O ZINC000037337083 173137476 /nfs/dbraw/zinc/13/74/76/173137476.db2.gz LIUUFQBIFOJPLZ-JTQLQIEISA-N 1 2 253.317 2.692 10 0 CFAELO CC[C@H](C)C[N@@H+](C)CC(=O)c1cc(F)ccc1O ZINC000037337083 173137479 /nfs/dbraw/zinc/13/74/79/173137479.db2.gz LIUUFQBIFOJPLZ-JTQLQIEISA-N 1 2 253.317 2.692 10 0 CFAELO COC(=O)[C@H]([NH2+]CC(C)C)c1ccc(Cl)cc1 ZINC000037965921 173911223 /nfs/dbraw/zinc/91/12/23/173911223.db2.gz XSYMZQORSDFSKA-GFCCVEGCSA-N 1 2 255.745 2.800 10 0 CFAELO Cc1cccn2cc(COc3ccccc3N)[nH+]c12 ZINC000038055940 174066976 /nfs/dbraw/zinc/06/69/76/174066976.db2.gz IJTXLGAUEDIMQM-UHFFFAOYSA-N 1 2 253.305 2.804 10 0 CFAELO CC[C@H](C)[NH2+][C@](CC)(C(=O)OC)c1ccc(O)cc1 ZINC000038066617 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/nfs/dbraw/zinc/19/67/66/520196766.db2.gz BAZQVSVHZYNQRP-AWEZNQCLSA-N 1 2 263.385 2.514 10 0 CFAELO CC[NH2+][C@H](c1nnc([C@H]2CCCO2)o1)c1ccccc1 ZINC000050618154 520211284 /nfs/dbraw/zinc/21/12/84/520211284.db2.gz SETDFRIXYVTZHX-OLZOCXBDSA-N 1 2 273.336 2.620 10 0 CFAELO CC[NH2+][C@](C)(CCOc1ccc(C)cc1)C(=O)OCC ZINC000045476460 520230728 /nfs/dbraw/zinc/23/07/28/520230728.db2.gz OMDYRGIZTCKAJJ-MRXNPFEDSA-N 1 2 279.380 2.695 10 0 CFAELO CCNc1cc(CC)[nH+]c(-c2ccc3c(c2)OCCO3)n1 ZINC000050865192 520269485 /nfs/dbraw/zinc/26/94/85/520269485.db2.gz DFMGWOROOXOJAK-UHFFFAOYSA-N 1 2 285.347 2.909 10 0 CFAELO CCNc1ccc(Cn2ncc3ccccc32)c[nH+]1 ZINC000050829721 520318114 /nfs/dbraw/zinc/31/81/14/520318114.db2.gz UUPVGEAXDJRWAE-UHFFFAOYSA-N 1 2 252.321 2.911 10 0 CFAELO CCOc1cc(-c2nc(N)c(CC)c(C)[nH+]2)ccc1O ZINC000050866500 520613316 /nfs/dbraw/zinc/61/33/16/520613316.db2.gz WXBLURHHIQUNLS-UHFFFAOYSA-N 1 2 273.336 2.701 10 0 CFAELO CCCCOC(=O)C[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195441415 520708775 /nfs/dbraw/zinc/70/87/75/520708775.db2.gz BGWGNAGKTRLCQR-ZDUSSCGKSA-N 1 2 296.436 2.974 10 0 CFAELO CCCCOC(=O)C[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195441415 520708784 /nfs/dbraw/zinc/70/87/84/520708784.db2.gz BGWGNAGKTRLCQR-ZDUSSCGKSA-N 1 2 296.436 2.974 10 0 CFAELO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000049367597 521027087 /nfs/dbraw/zinc/02/70/87/521027087.db2.gz NSBHVPLTXVXFFU-IAQYHMDHSA-N 1 2 277.364 2.614 10 0 CFAELO CCOC(=O)[C@H](C)N[C@@H](C)c1c(C)cc(C)[nH+]c1C ZINC000049370946 521211581 /nfs/dbraw/zinc/21/15/81/521211581.db2.gz KOEOPBYOSMNBFI-STQMWFEESA-N 1 2 264.369 2.609 10 0 CFAELO CCN(c1cc[nH+]c(C(N)=S)c1)C1CCCCC1 ZINC000061812134 521504083 /nfs/dbraw/zinc/50/40/83/521504083.db2.gz QHJKDCXKASZGBI-UHFFFAOYSA-N 1 2 263.410 2.875 10 0 CFAELO C[NH2+][C@@](C)(CCO[C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)OC ZINC000045473912 522411274 /nfs/dbraw/zinc/41/12/74/522411274.db2.gz WJOMJRIZTFMRIF-WWGRRREGSA-N 1 2 285.428 2.759 10 0 CFAELO CNc1ccc(CSc2nnc3n2CCCCC3)c[nH+]1 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CC(C)n1ccnc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152186957 378402125 /nfs/dbraw/zinc/40/21/25/378402125.db2.gz UDDIKDBNDAIKQW-OAHLLOKOSA-N 1 2 286.379 2.512 10 0 CFAELO CN(c1cc[nH+]c(C2CC2)n1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000156722038 378644609 /nfs/dbraw/zinc/64/46/09/378644609.db2.gz VVIXLJIUDCLUEI-YUTCNCBUSA-N 1 2 273.380 2.604 10 0 CFAELO COc1ccc([C@H](C)[NH2+][C@H]2CCCn3ncnc32)c(F)c1 ZINC000164648961 379022163 /nfs/dbraw/zinc/02/21/63/379022163.db2.gz MCUJYGDJMSFMIL-HZMBPMFUSA-N 1 2 290.342 2.612 10 0 CFAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccco1 ZINC000167833672 379077924 /nfs/dbraw/zinc/07/79/24/379077924.db2.gz SKGKZYIBKSZNAS-QWRGUYRKSA-N 1 2 260.341 2.619 10 0 CFAELO C[C@H]1C[N@H+](Cc2nccn2Cc2ccccc2)CCS1 ZINC000171691515 379372490 /nfs/dbraw/zinc/37/24/90/379372490.db2.gz CKJJPIROLGXAMD-AWEZNQCLSA-N 1 2 287.432 2.869 10 0 CFAELO C[C@H]1C[N@@H+](Cc2nccn2Cc2ccccc2)CCS1 ZINC000171691515 379372499 /nfs/dbraw/zinc/37/24/99/379372499.db2.gz CKJJPIROLGXAMD-AWEZNQCLSA-N 1 2 287.432 2.869 10 0 CFAELO CC(C)n1cc[nH+]c1CSCc1ccc(C(N)=O)cc1 ZINC000175277976 380035657 /nfs/dbraw/zinc/03/56/57/380035657.db2.gz YKWWJCXIDDLAQR-UHFFFAOYSA-N 1 2 289.404 2.996 10 0 CFAELO CO[C@H](C)c1noc(CSCc2[nH+]ccn2C(C)C)n1 ZINC000175302536 380040018 /nfs/dbraw/zinc/04/00/18/380040018.db2.gz JWBJCZYYPSBRLO-SNVBAGLBSA-N 1 2 296.396 2.988 10 0 CFAELO C[C@H](NC(=O)N[C@@H]1C[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176339948 380217255 /nfs/dbraw/zinc/21/72/55/380217255.db2.gz WZEYMLJYEXJLRC-SLEUVZQESA-N 1 2 284.363 2.641 10 0 CFAELO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1c(Cl)ccc(F)c1Cl ZINC000179063977 380505436 /nfs/dbraw/zinc/50/54/36/380505436.db2.gz SIVDGUVQSQHSDK-HZGVNTEJSA-N 1 2 291.153 2.672 10 0 CFAELO COc1ccc(F)cc1C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000336817247 380679475 /nfs/dbraw/zinc/67/94/75/380679475.db2.gz PJSKTNUERWUTPT-JTQLQIEISA-N 1 2 264.300 2.982 10 0 CFAELO CCc1ccc([C@H](C)[NH2+]Cc2noc(COC)n2)cc1 ZINC000182787161 381159622 /nfs/dbraw/zinc/15/96/22/381159622.db2.gz WHTWDDUJVBPDPZ-NSHDSACASA-N 1 2 275.352 2.629 10 0 CFAELO CCC[C@H](C)C[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000185760199 381727195 /nfs/dbraw/zinc/72/71/95/381727195.db2.gz IESCEQZNBXERNG-ZDUSSCGKSA-N 1 2 288.395 2.910 10 0 CFAELO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000187326070 382155014 /nfs/dbraw/zinc/15/50/14/382155014.db2.gz PCFKVWLOGGZAIF-GOSISDBHSA-N 1 2 297.402 2.725 10 0 CFAELO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000187326070 382155017 /nfs/dbraw/zinc/15/50/17/382155017.db2.gz PCFKVWLOGGZAIF-GOSISDBHSA-N 1 2 297.402 2.725 10 0 CFAELO Cc1ccc([C@@](C)(O)CNc2cc[nH+]c(C3CC3)n2)o1 ZINC000301411361 382170301 /nfs/dbraw/zinc/17/03/01/382170301.db2.gz KFZLOARDRWNYBK-HNNXBMFYSA-N 1 2 273.336 2.575 10 0 CFAELO CN(C)c1cc(CNc2ncnc3c(F)cccc23)cc[nH+]1 ZINC000302624882 382279498 /nfs/dbraw/zinc/27/94/98/382279498.db2.gz APUYHMVERYFWQV-UHFFFAOYSA-N 1 2 297.337 2.842 10 0 CFAELO Cc1nccnc1[C@@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000187714085 382255121 /nfs/dbraw/zinc/25/51/21/382255121.db2.gz LCSOHIWPNCUNIC-ZBFHGGJFSA-N 1 2 284.407 2.739 10 0 CFAELO CNc1nc(N[C@@H]2CC[C@H](C)C2)[nH+]cc1Br ZINC000302533202 382263821 /nfs/dbraw/zinc/26/38/21/382263821.db2.gz LTFFNXPOJJPGGW-JGVFFNPUSA-N 1 2 285.189 2.881 10 0 CFAELO CNc1nc(N[C@H]2CC[C@H](C)C2)[nH+]cc1Br ZINC000302533204 382264076 /nfs/dbraw/zinc/26/40/76/382264076.db2.gz LTFFNXPOJJPGGW-YUMQZZPRSA-N 1 2 285.189 2.881 10 0 CFAELO CC(C)(C)CC[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000188550816 382433416 /nfs/dbraw/zinc/43/34/16/382433416.db2.gz LSMJIDWKPDLAMI-UHFFFAOYSA-N 1 2 288.395 2.910 10 0 CFAELO C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Cl)s1 ZINC000188595740 382441634 /nfs/dbraw/zinc/44/16/34/382441634.db2.gz YZUWOXZLZWUXTN-SECBINFHSA-N 1 2 297.811 2.945 10 0 CFAELO [NH3+][C@@H](c1ccc(Br)o1)c1ccns1 ZINC000307215322 382464376 /nfs/dbraw/zinc/46/43/76/382464376.db2.gz SIQPVHNAAFQOIJ-QMMMGPOBSA-N 1 2 259.128 2.547 10 0 CFAELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cnc(CC(C)C)s1 ZINC000189990656 382648813 /nfs/dbraw/zinc/64/88/13/382648813.db2.gz CMVNKLBSOLYUGV-OAHLLOKOSA-N 1 2 296.436 2.869 10 0 CFAELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cnc(CC(C)C)s1 ZINC000189990656 382648815 /nfs/dbraw/zinc/64/88/15/382648815.db2.gz CMVNKLBSOLYUGV-OAHLLOKOSA-N 1 2 296.436 2.869 10 0 CFAELO CC[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)C(=O)OC ZINC000192839774 382712841 /nfs/dbraw/zinc/71/28/41/382712841.db2.gz QGFKCXQSPRFRGQ-QWHCGFSZSA-N 1 2 267.756 2.869 10 0 CFAELO [NH3+][C@H](c1ccc(Br)o1)c1cncs1 ZINC000575456345 382772156 /nfs/dbraw/zinc/77/21/56/382772156.db2.gz SWJHSVJPIYCIRE-MRVPVSSYSA-N 1 2 259.128 2.547 10 0 CFAELO C[C@@H]1CS[C@@H](c2ccncc2Br)[NH2+]1 ZINC000575545862 382773686 /nfs/dbraw/zinc/77/36/86/382773686.db2.gz NSEXOYXQVKYHIU-MUWHJKNJSA-N 1 2 259.172 2.568 10 0 CFAELO Cc1ccc2c([nH+]1)N(Cc1ccccc1)CCC(=O)N2 ZINC000575578820 382774107 /nfs/dbraw/zinc/77/41/07/382774107.db2.gz CEKUVAAFFFRNOS-UHFFFAOYSA-N 1 2 267.332 2.739 10 0 CFAELO CC[NH+](CC)c1ccc(N)cc1C(=O)N1CCC(C)CC1 ZINC000226323906 382826682 /nfs/dbraw/zinc/82/66/82/382826682.db2.gz YMNCTNPSWBESEC-UHFFFAOYSA-N 1 2 289.423 2.987 10 0 CFAELO CCc1cnc(C[NH2+][C@@H]2CCc3c2cccc3O)o1 ZINC000231632952 382865564 /nfs/dbraw/zinc/86/55/64/382865564.db2.gz WWJVPCJOXJLYND-CYBMUJFWSA-N 1 2 258.321 2.720 10 0 CFAELO CC(C)c1nc(N2CC[C@]3(O)CCCC[C@H]3C2)cc[nH+]1 ZINC000246935741 383123207 /nfs/dbraw/zinc/12/32/07/383123207.db2.gz HHUGLLOTDVFBLL-XJKSGUPXSA-N 1 2 275.396 2.731 10 0 CFAELO Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000249300130 383338751 /nfs/dbraw/zinc/33/87/51/383338751.db2.gz CXNCVVAWYIIDFZ-KKUMJFAQSA-N 1 2 290.407 2.740 10 0 CFAELO O[C@H](C[N@@H+]1CCCC[C@H]1c1nccs1)CC(F)(F)F ZINC000248959214 383310785 /nfs/dbraw/zinc/31/07/85/383310785.db2.gz GDRTWLCSQVQQHF-UWVGGRQHSA-N 1 2 294.342 2.983 10 0 CFAELO O[C@H](C[N@H+]1CCCC[C@H]1c1nccs1)CC(F)(F)F ZINC000248959214 383310788 /nfs/dbraw/zinc/31/07/88/383310788.db2.gz GDRTWLCSQVQQHF-UWVGGRQHSA-N 1 2 294.342 2.983 10 0 CFAELO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000249913737 383367058 /nfs/dbraw/zinc/36/70/58/383367058.db2.gz WXHVCMDYRFXHNP-NWDGAFQWSA-N 1 2 282.409 2.583 10 0 CFAELO CCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000249913737 383367064 /nfs/dbraw/zinc/36/70/64/383367064.db2.gz WXHVCMDYRFXHNP-NWDGAFQWSA-N 1 2 282.409 2.583 10 0 CFAELO COc1ccc([C@H](C)Nc2cc[nH+]cc2F)cc1OC ZINC000641297379 384165294 /nfs/dbraw/zinc/16/52/94/384165294.db2.gz DUKWNIRKINROBK-JTQLQIEISA-N 1 2 276.311 2.833 10 0 CFAELO COCc1ccc(C[NH2+][C@H]2COc3ccccc32)o1 ZINC000268790761 384662439 /nfs/dbraw/zinc/66/24/39/384662439.db2.gz MBRKRMZJRALRAV-AWEZNQCLSA-N 1 2 259.305 2.649 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)c1ccccc1)C2 ZINC000163310558 542395282 /nfs/dbraw/zinc/39/52/82/542395282.db2.gz BPJTWBAKQOKPEO-SMDDNHRTSA-N 1 2 283.375 2.700 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)c1ccccc1)CC2 ZINC000163310558 542395287 /nfs/dbraw/zinc/39/52/87/542395287.db2.gz BPJTWBAKQOKPEO-SMDDNHRTSA-N 1 2 283.375 2.700 10 0 CFAELO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)CC2=CCCCC2)C1 ZINC000644118908 384864003 /nfs/dbraw/zinc/86/40/03/384864003.db2.gz AGFQPCLPQZRAQO-KGLIPLIRSA-N 1 2 289.379 2.589 10 0 CFAELO COC1(CNc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CCC1 ZINC000272417248 385532603 /nfs/dbraw/zinc/53/26/03/385532603.db2.gz DHBUCGXRWWZDJP-CYBMUJFWSA-N 1 2 290.411 2.694 10 0 CFAELO COC1(CNc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CCC1 ZINC000272417248 385532609 /nfs/dbraw/zinc/53/26/09/385532609.db2.gz DHBUCGXRWWZDJP-CYBMUJFWSA-N 1 2 290.411 2.694 10 0 CFAELO Cc1cccc(C)c1C(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000681904619 542495798 /nfs/dbraw/zinc/49/57/98/542495798.db2.gz WBUGXGHEIVNKSG-HNNXBMFYSA-N 1 2 297.402 2.835 10 0 CFAELO CC[C@H](Nc1cc[nH+]c(C2CC2)n1)c1noc(C)n1 ZINC000301473067 393471839 /nfs/dbraw/zinc/47/18/39/393471839.db2.gz LMSNVOLCMSDAGY-JTQLQIEISA-N 1 2 259.313 2.609 10 0 CFAELO CCc1nnc(C[N@H+](C)[C@@H](C)c2ccccc2)n1C ZINC000195029266 393728552 /nfs/dbraw/zinc/72/85/52/393728552.db2.gz NNCMWYNATPVNKX-LBPRGKRZSA-N 1 2 258.369 2.571 10 0 CFAELO CCc1nnc(C[N@@H+](C)[C@@H](C)c2ccccc2)n1C ZINC000195029266 393728554 /nfs/dbraw/zinc/72/85/54/393728554.db2.gz NNCMWYNATPVNKX-LBPRGKRZSA-N 1 2 258.369 2.571 10 0 CFAELO CCCc1nsc(NCCc2cccc(C)[nH+]2)n1 ZINC000292504823 394274349 /nfs/dbraw/zinc/27/43/49/394274349.db2.gz GAFCIRIUWMAKOL-UHFFFAOYSA-N 1 2 262.382 2.849 10 0 CFAELO CC1CCN(c2[nH+]cnc(NC(C)(C)C)c2N)CC1 ZINC000040680478 134867637 /nfs/dbraw/zinc/86/76/37/134867637.db2.gz LWRPVXGUBQOKHE-UHFFFAOYSA-N 1 2 263.389 2.506 10 0 CFAELO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000177911771 394385254 /nfs/dbraw/zinc/38/52/54/394385254.db2.gz HIONSTNEFROSLS-LBPRGKRZSA-N 1 2 269.348 2.610 10 0 CFAELO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000177911771 394385257 /nfs/dbraw/zinc/38/52/57/394385257.db2.gz HIONSTNEFROSLS-LBPRGKRZSA-N 1 2 269.348 2.610 10 0 CFAELO Cc1cn[nH]c1C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000685612626 542933590 /nfs/dbraw/zinc/93/35/90/542933590.db2.gz IHFUUIDTBMNBNE-VIFPVBQESA-N 1 2 251.280 2.847 10 0 CFAELO Cc1c[nH]nc1C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000685612626 542933594 /nfs/dbraw/zinc/93/35/94/542933594.db2.gz IHFUUIDTBMNBNE-VIFPVBQESA-N 1 2 251.280 2.847 10 0 CFAELO COc1cccc2c1cc[nH+]c2N[C@H]1CCC[C@H](O)C1 ZINC000649246338 395460539 /nfs/dbraw/zinc/46/05/39/395460539.db2.gz HKZKCWGNQOTEDN-RYUDHWBXSA-N 1 2 272.348 2.959 10 0 CFAELO Cc1ccc(N[C@H]2CC(=O)N(C)c3ccccc32)c[nH+]1 ZINC000164553808 292162100 /nfs/dbraw/zinc/16/21/00/292162100.db2.gz DFLWQPYRYZSZJY-AWEZNQCLSA-N 1 2 267.332 2.910 10 0 CFAELO Cc1cc(NS(=O)(=O)c2ccccc2)c2ccccc2[nH+]1 ZINC000005582628 170116240 /nfs/dbraw/zinc/11/62/40/170116240.db2.gz ZUZKPDZMSWEWRM-UHFFFAOYSA-N 1 2 298.367 2.766 10 0 CFAELO [NH3+][C@@H](c1nc(-c2cccs2)no1)c1ccccc1 ZINC000021813727 171330902 /nfs/dbraw/zinc/33/09/02/171330902.db2.gz BRRDKSIQAHQBEG-LLVKDONJSA-N 1 2 257.318 2.846 10 0 CFAELO C[C@@H](C(=O)Nc1c(Cl)cc(N)cc1Cl)n1cc[nH+]c1 ZINC000022210199 171373144 /nfs/dbraw/zinc/37/31/44/171373144.db2.gz OZFZGRPHJBQQNC-ZETCQYMHSA-N 1 2 299.161 2.972 10 0 CFAELO C[C@H](Nc1ccc([NH+](C)C)cc1)C(=O)N1CCCCC1 ZINC000035164385 172025526 /nfs/dbraw/zinc/02/55/26/172025526.db2.gz IXRXYVLBTNYCLT-ZDUSSCGKSA-N 1 2 275.396 2.566 10 0 CFAELO CC[C@@H]([NH2+][C@H](C(=O)OC)C(C)C)c1cccs1 ZINC000035346195 172138791 /nfs/dbraw/zinc/13/87/91/172138791.db2.gz IDOXWVSISFRJDZ-PWSUYJOCSA-N 1 2 255.383 2.986 10 0 CFAELO Nc1cccc(Cl)c1SCCn1cc[nH+]c1 ZINC000037204278 173026924 /nfs/dbraw/zinc/02/69/24/173026924.db2.gz QACAMFDGPIUQEV-UHFFFAOYSA-N 1 2 253.758 2.911 10 0 CFAELO CC(C)C[C@@H](C)[NH2+]Cc1nc(=O)c2sccc2[nH]1 ZINC000037264714 173073382 /nfs/dbraw/zinc/07/33/82/173073382.db2.gz QDBZIZMKLKDNOD-SECBINFHSA-N 1 2 265.382 2.509 10 0 CFAELO CC[C@H](C(=O)c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000037332453 173133098 /nfs/dbraw/zinc/13/30/98/173133098.db2.gz RPLWXJNUQUVCEK-VNHYZAJKSA-N 1 2 261.365 2.757 10 0 CFAELO CC[C@H](C(=O)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000037332453 173133100 /nfs/dbraw/zinc/13/31/00/173133100.db2.gz RPLWXJNUQUVCEK-VNHYZAJKSA-N 1 2 261.365 2.757 10 0 CFAELO CCC[NH2+][C@@H](c1ncccn1)c1ccccc1OC ZINC000037536381 173254953 /nfs/dbraw/zinc/25/49/53/173254953.db2.gz QHZJJYUZTCOPOS-CQSZACIVSA-N 1 2 257.337 2.574 10 0 CFAELO CC[C@@H]([NH2+]Cc1nc(C)no1)c1ccc2c(c1)CCO2 ZINC000038034008 174032294 /nfs/dbraw/zinc/03/22/94/174032294.db2.gz RPMYEZQMBHAIGE-CYBMUJFWSA-N 1 2 273.336 2.554 10 0 CFAELO CC[C@@H](C)[NH2+][C@@](CC)(C(=O)OC)c1ccc(F)cc1 ZINC000038066622 174077474 /nfs/dbraw/zinc/07/74/74/174077474.db2.gz CVPKOPBZPSNRGC-IAQYHMDHSA-N 1 2 267.344 2.992 10 0 CFAELO CC[C@@H](C)[NH2+][C@](C)(C(=O)OC)c1ccc(F)cc1 ZINC000038066594 174077700 /nfs/dbraw/zinc/07/77/00/174077700.db2.gz ZURZSNFUKOFMJV-YGRLFVJLSA-N 1 2 253.317 2.602 10 0 CFAELO CC1(C)CC[C@@H]([NH2+][C@@H]2CCOC2=O)c2ccccc21 ZINC000040177304 174202601 /nfs/dbraw/zinc/20/26/01/174202601.db2.gz JLGHYNSMUMOQGY-ZIAGYGMSSA-N 1 2 259.349 2.704 10 0 CFAELO CCCCOCC[NH2+][C@@H](c1ccco1)c1nccn1C ZINC000040506868 174302143 /nfs/dbraw/zinc/30/21/43/174302143.db2.gz WCAXFWPUWLCOEU-AWEZNQCLSA-N 1 2 277.368 2.509 10 0 CFAELO Cc1[nH]c2ccc(NC(=O)c3ccccc3N)cc2[nH+]1 ZINC000040638123 174362439 /nfs/dbraw/zinc/36/24/39/174362439.db2.gz LXWXUMQPEUTOGQ-UHFFFAOYSA-N 1 2 266.304 2.706 10 0 CFAELO Cc1[nH]c2cc(NC(=O)c3ccccc3N)ccc2[nH+]1 ZINC000040638123 174362441 /nfs/dbraw/zinc/36/24/41/174362441.db2.gz LXWXUMQPEUTOGQ-UHFFFAOYSA-N 1 2 266.304 2.706 10 0 CFAELO Nc1ccccc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000040638007 174362551 /nfs/dbraw/zinc/36/25/51/174362551.db2.gz PGKCAMQLOBYQQD-UHFFFAOYSA-N 1 2 278.315 2.707 10 0 CFAELO Nc1c(NCc2cccnc2)nc[nH+]c1Nc1ccccc1 ZINC000040686602 174375436 /nfs/dbraw/zinc/37/54/36/174375436.db2.gz ISDUBGBTYREQBR-UHFFFAOYSA-N 1 2 292.346 2.810 10 0 CFAELO CCc1ccc(Nc2ncnc(-n3cc[nH+]c3)c2N)cc1 ZINC000040688600 174376057 /nfs/dbraw/zinc/37/60/57/174376057.db2.gz YVYSLJXDHJJDLT-UHFFFAOYSA-N 1 2 280.335 2.551 10 0 CFAELO CCOC1CC[NH+](CC(=O)c2ccc3c(c2)CCC3)CC1 ZINC000040689750 174376532 /nfs/dbraw/zinc/37/65/32/174376532.db2.gz JRRWQQUBZRQCTL-UHFFFAOYSA-N 1 2 287.403 2.859 10 0 CFAELO Cc1ccc(Nc2ncnc(-n3cc[nH+]c3)c2N)c(C)c1 ZINC000040755604 174396517 /nfs/dbraw/zinc/39/65/17/174396517.db2.gz WLZJLQFXCLWNIZ-UHFFFAOYSA-N 1 2 280.335 2.605 10 0 CFAELO Cc1ccc(C(N)=S)c(N2CCCCCCC2)[nH+]1 ZINC000043396541 175035964 /nfs/dbraw/zinc/03/59/64/175035964.db2.gz VRYJCHJCSCDXJO-UHFFFAOYSA-N 1 2 263.410 2.795 10 0 CFAELO Cc1ccc(C(N)=S)c(N[C@@H](C)c2ccco2)[nH+]1 ZINC000043396671 175036003 /nfs/dbraw/zinc/03/60/03/175036003.db2.gz PCNZFOKIHUDRGM-VIFPVBQESA-N 1 2 261.350 2.790 10 0 CFAELO Cc1ccc(C(N)=S)c(NCc2cccc(F)c2)[nH+]1 ZINC000043396563 175036364 /nfs/dbraw/zinc/03/63/64/175036364.db2.gz DVVCETQTZKIGAQ-UHFFFAOYSA-N 1 2 275.352 2.775 10 0 CFAELO Cc1ccc(C(N)=S)c(NCc2ccc(F)cc2)[nH+]1 ZINC000043396422 175036492 /nfs/dbraw/zinc/03/64/92/175036492.db2.gz YYYWXDYSPRSRMS-UHFFFAOYSA-N 1 2 275.352 2.775 10 0 CFAELO CCC(CC)N(CCOC)c1[nH+]c(C)ccc1C(N)=S ZINC000043398461 175036549 /nfs/dbraw/zinc/03/65/49/175036549.db2.gz UNQKPAOJUSPWSS-UHFFFAOYSA-N 1 2 295.452 2.666 10 0 CFAELO Cc1ccc(C(N)=S)c(N(C)[C@@H](C)CC(C)C)[nH+]1 ZINC000043396991 175036656 /nfs/dbraw/zinc/03/66/56/175036656.db2.gz GAXGKPHUFSGQDR-NSHDSACASA-N 1 2 265.426 2.895 10 0 CFAELO COC(=O)[C@H](CC(C)C)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000043435042 175044267 /nfs/dbraw/zinc/04/42/67/175044267.db2.gz XJEVVUKCWYIBHX-KBPBESRZSA-N 1 2 299.798 2.551 10 0 CFAELO COC(=O)[C@@H]([NH2+]Cc1ccc(F)c2cccnc12)C(C)C ZINC000043442031 175046118 /nfs/dbraw/zinc/04/61/18/175046118.db2.gz RLSKMILXSYSIOG-AWEZNQCLSA-N 1 2 290.338 2.661 10 0 CFAELO CC(C)Oc1ccc([NH2+]CCCC(=O)N(C)C)cc1 ZINC000043448296 175049013 /nfs/dbraw/zinc/04/90/13/175049013.db2.gz NDJDBEXPSXKDNM-UHFFFAOYSA-N 1 2 264.369 2.754 10 0 CFAELO Cc1nccc(C[NH2+]Cc2sccc2Br)n1 ZINC000043675132 175088518 /nfs/dbraw/zinc/08/85/18/175088518.db2.gz 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/nfs/dbraw/zinc/30/46/20/175304620.db2.gz JRLKUAHCWYMBST-UHFFFAOYSA-N 1 2 277.437 2.687 10 0 CFAELO Cc1nc(C[NH2+][C@@H](C)c2c(C)nn(C)c2C)cs1 ZINC000045172233 175321544 /nfs/dbraw/zinc/32/15/44/175321544.db2.gz SKISSVUMMXKVEK-QMMMGPOBSA-N 1 2 264.398 2.653 10 0 CFAELO CCC[NH2+][C@](C)(CCN(CC)c1ccccc1)C(=O)OC ZINC000045232166 175335857 /nfs/dbraw/zinc/33/58/57/175335857.db2.gz VBUCYDKUHDXNRW-QGZVFWFLSA-N 1 2 292.423 2.834 10 0 CFAELO CCOC(=O)[C@@](C)(CCN(CC)c1cccc(F)c1)[NH2+]C ZINC000045275476 175345787 /nfs/dbraw/zinc/34/57/87/175345787.db2.gz KRCZYQLKOZYTNM-MRXNPFEDSA-N 1 2 296.386 2.583 10 0 CFAELO C[NH2+]CC(=O)OCc1ccc(-c2ccccc2)cc1 ZINC000077610332 177286589 /nfs/dbraw/zinc/28/65/89/177286589.db2.gz LAJFANRRPATHKW-UHFFFAOYSA-N 1 2 255.317 2.616 10 0 CFAELO C[C@H](NC(=O)N(C)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876208 260288435 /nfs/dbraw/zinc/28/84/35/260288435.db2.gz JGAVLUYBJNJXTQ-LBPRGKRZSA-N 1 2 284.363 2.737 10 0 CFAELO Cc1noc(C[NH2+][C@H](C)c2cccc(Br)c2)n1 ZINC000038034377 270226196 /nfs/dbraw/zinc/22/61/96/270226196.db2.gz IVSJVXPFXLGCGJ-MRVPVSSYSA-N 1 2 296.168 2.991 10 0 CFAELO CCCC[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)OC ZINC000230489933 270259854 /nfs/dbraw/zinc/25/98/54/270259854.db2.gz WQYIYDWLJBEUQK-HUUCEWRRSA-N 1 2 261.365 2.995 10 0 CFAELO CNc1nc(N2CCC[C@H](C)C2)[nH+]cc1Br ZINC000302186424 277305123 /nfs/dbraw/zinc/30/51/23/277305123.db2.gz UJZATOGWMGNKSD-QMMMGPOBSA-N 1 2 285.189 2.517 10 0 CFAELO CC1(C)C[C@@H]([NH2+]Cc2csnn2)c2ccccc2O1 ZINC000182600197 278369576 /nfs/dbraw/zinc/36/95/76/278369576.db2.gz PMSIJYRNHJSCJF-GFCCVEGCSA-N 1 2 275.377 2.930 10 0 CFAELO CCCc1noc(CSCc2[nH+]ccn2CC)n1 ZINC000083632660 280548519 /nfs/dbraw/zinc/54/85/19/280548519.db2.gz GJNQUJNMWBSWMI-UHFFFAOYSA-N 1 2 266.370 2.672 10 0 CFAELO CCn1cc[nH+]c1CSCc1nc(N)c2ccccc2n1 ZINC000083632071 280548547 /nfs/dbraw/zinc/54/85/47/280548547.db2.gz DOEUSBKAKBXUNX-UHFFFAOYSA-N 1 2 299.403 2.862 10 0 CFAELO C[C@H]1CC[C@H](C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)O1 ZINC000152285359 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CC[N@H+]1CCO[C@@H](CNc2nc3ccc(F)cc3s2)C1 ZINC000166155887 379048300 /nfs/dbraw/zinc/04/83/00/379048300.db2.gz RVHJTXFPKWJWEA-NSHDSACASA-N 1 2 295.383 2.568 10 0 CFAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(C)o1 ZINC000167874183 379078959 /nfs/dbraw/zinc/07/89/59/379078959.db2.gz HFBBRHPCSOPLJD-NEPJUHHUSA-N 1 2 274.368 2.928 10 0 CFAELO Brc1cncc(C[N@@H+]2C[C@H]3CCC[C@H]32)c1 ZINC000335332287 379106061 /nfs/dbraw/zinc/10/60/61/379106061.db2.gz JVUXIRYIHRGAHZ-ZYHUDNBSSA-N 1 2 267.170 2.828 10 0 CFAELO Brc1cncc(C[N@H+]2C[C@H]3CCC[C@H]32)c1 ZINC000335332287 379106071 /nfs/dbraw/zinc/10/60/71/379106071.db2.gz JVUXIRYIHRGAHZ-ZYHUDNBSSA-N 1 2 267.170 2.828 10 0 CFAELO CCn1c(C)nnc1C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000172909295 379667622 /nfs/dbraw/zinc/66/76/22/379667622.db2.gz LNENVDCGJGRATK-GFCCVEGCSA-N 1 2 270.380 2.553 10 0 CFAELO CCn1c(C)nnc1C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000172909295 379667626 /nfs/dbraw/zinc/66/76/26/379667626.db2.gz LNENVDCGJGRATK-GFCCVEGCSA-N 1 2 270.380 2.553 10 0 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297.402 2.678 10 0 CFAELO Cc1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c(C)n1 ZINC000187015011 382077854 /nfs/dbraw/zinc/07/78/54/382077854.db2.gz FJTDWXIZWVCRRZ-CQSZACIVSA-N 1 2 289.404 2.728 10 0 CFAELO Cc1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)c(C)n1 ZINC000187015011 382077859 /nfs/dbraw/zinc/07/78/59/382077859.db2.gz FJTDWXIZWVCRRZ-CQSZACIVSA-N 1 2 289.404 2.728 10 0 CFAELO COc1ccnc(C[NH2+][C@@H](C)c2ccc(C)o2)c1OC ZINC000188665151 382452433 /nfs/dbraw/zinc/45/24/33/382452433.db2.gz GQNPMTBQFXGSQR-NSHDSACASA-N 1 2 276.336 2.851 10 0 CFAELO Cc1cc([C@H]([NH3+])c2ccc(Br)o2)sn1 ZINC000306152336 382452553 /nfs/dbraw/zinc/45/25/53/382452553.db2.gz ABTHDRRLTLXKJL-SECBINFHSA-N 1 2 273.155 2.855 10 0 CFAELO COC(=O)[C@H]([NH2+]C[C@H]1CCCCC1(F)F)C(C)C ZINC000381470802 382521126 /nfs/dbraw/zinc/52/11/26/382521126.db2.gz CGQRRNGVXCYIPS-GHMZBOCLSA-N 1 2 263.328 2.599 10 0 CFAELO C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000189005310 382522345 /nfs/dbraw/zinc/52/23/45/382522345.db2.gz 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/nfs/dbraw/zinc/70/20/68/382702068.db2.gz ASTKHUSZCBSLRG-INIZCTEOSA-N 1 2 289.354 2.616 10 0 CFAELO Cc1cnc([C@H](C)[NH2+][C@H](C)c2nc(C)cc(=O)[nH]2)s1 ZINC000192782376 382712248 /nfs/dbraw/zinc/71/22/48/382712248.db2.gz UNUVNQSXKNBJDI-ZJUUUORDSA-N 1 2 278.381 2.667 10 0 CFAELO C[C@@H](O)C[N@@H+]1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000192981229 382714331 /nfs/dbraw/zinc/71/43/31/382714331.db2.gz YWJOKQNOWIRSRX-BXUZGUMPSA-N 1 2 283.799 2.873 10 0 CFAELO C[C@@H](O)C[N@H+]1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000192981229 382714332 /nfs/dbraw/zinc/71/43/32/382714332.db2.gz YWJOKQNOWIRSRX-BXUZGUMPSA-N 1 2 283.799 2.873 10 0 CFAELO CCn1ncnc1C[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000193357928 382719032 /nfs/dbraw/zinc/71/90/32/382719032.db2.gz XOIIKCITZQEORF-ZDUSSCGKSA-N 1 2 274.368 2.927 10 0 CFAELO CCn1ncnc1C[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000193357928 382719033 /nfs/dbraw/zinc/71/90/33/382719033.db2.gz XOIIKCITZQEORF-ZDUSSCGKSA-N 1 2 274.368 2.927 10 0 CFAELO CCn1ncnc1C[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000193357294 382719052 /nfs/dbraw/zinc/71/90/52/382719052.db2.gz XOIIKCITZQEORF-CYBMUJFWSA-N 1 2 274.368 2.927 10 0 CFAELO CCn1ncnc1C[N@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000193357294 382719053 /nfs/dbraw/zinc/71/90/53/382719053.db2.gz XOIIKCITZQEORF-CYBMUJFWSA-N 1 2 274.368 2.927 10 0 CFAELO O=C1CN(Cc2ccccc2)c2c(Cl)c[nH+]cc2N1 ZINC000575464972 382772621 /nfs/dbraw/zinc/77/26/21/382772621.db2.gz UQANALQWGVOTCW-UHFFFAOYSA-N 1 2 273.723 2.694 10 0 CFAELO Cc1cc[nH+]c(NCC(F)F)c1Br ZINC000235788587 382888705 /nfs/dbraw/zinc/88/87/05/382888705.db2.gz RBNFFNWSUZAWLO-UHFFFAOYSA-N 1 2 251.074 2.830 10 0 CFAELO COC[C@@H](C)[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000247521418 383181518 /nfs/dbraw/zinc/18/15/18/383181518.db2.gz NKJORIHQXSKVPY-VXGBXAGGSA-N 1 2 298.452 2.849 10 0 CFAELO COC[C@@H](C)[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000247521418 383181520 /nfs/dbraw/zinc/18/15/20/383181520.db2.gz NKJORIHQXSKVPY-VXGBXAGGSA-N 1 2 298.452 2.849 10 0 CFAELO CCOCCN1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000247869902 383198126 /nfs/dbraw/zinc/19/81/26/383198126.db2.gz XHESYKAGNFJNHQ-LSDHHAIUSA-N 1 2 294.414 2.929 10 0 CFAELO CCOCCN1CC[N@H+]([C@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000247869902 383198129 /nfs/dbraw/zinc/19/81/29/383198129.db2.gz XHESYKAGNFJNHQ-LSDHHAIUSA-N 1 2 294.414 2.929 10 0 CFAELO Cn1c2ccccc2[nH+]c1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000250810559 383380868 /nfs/dbraw/zinc/38/08/68/383380868.db2.gz WOKQWHAQYRMLLO-GUYCJALGSA-N 1 2 285.391 2.705 10 0 CFAELO Cn1c2ccccc2[nH+]c1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000250810561 383380927 /nfs/dbraw/zinc/38/09/27/383380927.db2.gz WOKQWHAQYRMLLO-SUMWQHHRSA-N 1 2 285.391 2.705 10 0 CFAELO CCn1cc[nH+]c1CS(=O)(=O)C/C=C\c1ccccc1 ZINC000255757657 383486136 /nfs/dbraw/zinc/48/61/36/383486136.db2.gz ARJCNABQGVOUBH-TWGQIWQCSA-N 1 2 290.388 2.531 10 0 CFAELO C[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000341063907 383551345 /nfs/dbraw/zinc/55/13/45/383551345.db2.gz GEGRCMJHGYBMDA-ZCFIWIBFSA-N 1 2 287.150 2.668 10 0 CFAELO CC(C)c1nc([C@H]2CCCN2c2cccc[nH+]2)no1 ZINC000277193968 384228044 /nfs/dbraw/zinc/22/80/44/384228044.db2.gz ICYCEJSLSWNINJ-LLVKDONJSA-N 1 2 258.325 2.930 10 0 CFAELO Oc1cccc(-c2[nH]c3cc4c(cc3[nH+]2)OCCO4)c1 ZINC000037311607 285391155 /nfs/dbraw/zinc/39/11/55/285391155.db2.gz ZSFBIRAZOQKKCI-UHFFFAOYSA-N 1 2 268.272 2.707 10 0 CFAELO CC[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1noc(C)n1 ZINC000301473068 393472494 /nfs/dbraw/zinc/47/24/94/393472494.db2.gz LMSNVOLCMSDAGY-SNVBAGLBSA-N 1 2 259.313 2.609 10 0 CFAELO CC(C)c1nc2c(n1C)CC[N@H+](C[C@H]1CCC(C)(C)O1)C2 ZINC000184668231 393529830 /nfs/dbraw/zinc/52/98/30/393529830.db2.gz DOAVWMSMVDSTNY-CYBMUJFWSA-N 1 2 291.439 2.859 10 0 CFAELO CC(C)c1nc2c(n1C)CC[N@@H+](C[C@H]1CCC(C)(C)O1)C2 ZINC000184668231 393529832 /nfs/dbraw/zinc/52/98/32/393529832.db2.gz DOAVWMSMVDSTNY-CYBMUJFWSA-N 1 2 291.439 2.859 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@H]1CCC(C)(C)O1)C2 ZINC000184668231 393529835 /nfs/dbraw/zinc/52/98/35/393529835.db2.gz DOAVWMSMVDSTNY-CYBMUJFWSA-N 1 2 291.439 2.859 10 0 CFAELO CCn1cc[nH+]c1C[S@](=O)Cc1ccc(C)cc1 ZINC000083033871 393740971 /nfs/dbraw/zinc/74/09/71/393740971.db2.gz CLFKIMDUMILVGE-SFHVURJKSA-N 1 2 262.378 2.660 10 0 CFAELO CCn1cc[nH+]c1C[S@](=O)Cc1cc(C)cc(C)c1 ZINC000083035593 393741085 /nfs/dbraw/zinc/74/10/85/393741085.db2.gz YYPALLMEJOQKFJ-IBGZPJMESA-N 1 2 276.405 2.969 10 0 CFAELO CC(C)n1ncc2cc(C[NH+]3[C@H](C)COC[C@H]3C)cnc21 ZINC000120960317 393944834 /nfs/dbraw/zinc/94/48/34/393944834.db2.gz QCAGBFWSTBUHOQ-CHWSQXEVSA-N 1 2 288.395 2.621 10 0 CFAELO CCC[C@H](C(=O)Nc1[nH]nc2c1cccc2Cl)[NH+](C)C ZINC000129060828 394081635 /nfs/dbraw/zinc/08/16/35/394081635.db2.gz JOFRWXYCRNDHLS-LLVKDONJSA-N 1 2 294.786 2.885 10 0 CFAELO C[C@@H]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)c2ccccc21 ZINC000132836421 394164445 /nfs/dbraw/zinc/16/44/45/394164445.db2.gz SITVQHHMUKSCKP-CZUORRHYSA-N 1 2 298.390 2.821 10 0 CFAELO COC(=O)c1cccnc1C[N@H+](C)Cc1ccccc1 ZINC000309935359 292027518 /nfs/dbraw/zinc/02/75/18/292027518.db2.gz CAOWRITWHRVOJJ-UHFFFAOYSA-N 1 2 270.332 2.500 10 0 CFAELO COC(=O)c1cccnc1C[N@@H+](C)Cc1ccccc1 ZINC000309935359 292027522 /nfs/dbraw/zinc/02/75/22/292027522.db2.gz CAOWRITWHRVOJJ-UHFFFAOYSA-N 1 2 270.332 2.500 10 0 CFAELO C1=C[C@H]([N@H+]2CCn3c(nnc3C3CC3)C2)CCCCC1 ZINC000555350301 394972198 /nfs/dbraw/zinc/97/21/98/394972198.db2.gz HUHCUBUZTMFILP-AWEZNQCLSA-N 1 2 272.396 2.860 10 0 CFAELO C1=C[C@H]([N@@H+]2CCn3c(nnc3C3CC3)C2)CCCCC1 ZINC000555350301 394972200 /nfs/dbraw/zinc/97/22/00/394972200.db2.gz HUHCUBUZTMFILP-AWEZNQCLSA-N 1 2 272.396 2.860 10 0 CFAELO C[C@@H](CCNc1cccc[nH+]1)n1nnc2ccccc21 ZINC000005368219 170089652 /nfs/dbraw/zinc/08/96/52/170089652.db2.gz NEUAVYHATFOUFB-LBPRGKRZSA-N 1 2 267.336 2.890 10 0 CFAELO S=c1[nH]c2ccccc2n1CCCn1cc[nH+]c1 ZINC000020584411 171258370 /nfs/dbraw/zinc/25/83/70/171258370.db2.gz LRKCMGMIPZZQSX-UHFFFAOYSA-N 1 2 258.350 2.986 10 0 CFAELO COc1ccc(C(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1F ZINC000035021946 171940313 /nfs/dbraw/zinc/94/03/13/171940313.db2.gz MSWZCGDRHFPGNW-VXGBXAGGSA-N 1 2 279.355 2.995 10 0 CFAELO C[NH+](C)c1ccc(NCC(=O)NC2CCCCC2)cc1 ZINC000035164824 172026455 /nfs/dbraw/zinc/02/64/55/172026455.db2.gz JIDNWAZIRTUIFX-UHFFFAOYSA-N 1 2 275.396 2.613 10 0 CFAELO COc1ccc(Oc2c[nH+]c(N)nc2N)c(C(C)C)c1 ZINC000035282070 172100114 /nfs/dbraw/zinc/10/01/14/172100114.db2.gz HIKYTWIVLKHYIM-UHFFFAOYSA-N 1 2 274.324 2.565 10 0 CFAELO CC[C@H]([NH2+][C@H](C(=O)OC)C(C)C)c1cccs1 ZINC000035346193 172138895 /nfs/dbraw/zinc/13/88/95/172138895.db2.gz IDOXWVSISFRJDZ-JQWIXIFHSA-N 1 2 255.383 2.986 10 0 CFAELO C[N@H+](Cc1ccco1)Cc1cc(C(N)=S)ccc1F ZINC000035702010 172369165 /nfs/dbraw/zinc/36/91/65/172369165.db2.gz MEEPSTZUQFJJDW-UHFFFAOYSA-N 1 2 278.352 2.685 10 0 CFAELO C[N@@H+](Cc1ccco1)Cc1cc(C(N)=S)ccc1F ZINC000035702010 172369166 /nfs/dbraw/zinc/36/91/66/172369166.db2.gz MEEPSTZUQFJJDW-UHFFFAOYSA-N 1 2 278.352 2.685 10 0 CFAELO C[C@H](N[C@H](c1ccco1)c1[nH+]ccn1C)c1ccccn1 ZINC000037218859 173036866 /nfs/dbraw/zinc/03/68/66/173036866.db2.gz GYAMJPLTISEQIF-SWLSCSKDSA-N 1 2 282.347 2.848 10 0 CFAELO O=C(Cn1cc[nH+]c1)c1ccc(Br)s1 ZINC000037340572 173142238 /nfs/dbraw/zinc/14/22/38/173142238.db2.gz NHQQOLVZAUPEJI-UHFFFAOYSA-N 1 2 271.139 2.590 10 0 CFAELO CN(c1ccc2[nH+]cccc2c1N)[C@@H]1CCSC1 ZINC000037377945 173166186 /nfs/dbraw/zinc/16/61/86/173166186.db2.gz QTLFJLWVBNTZKI-SNVBAGLBSA-N 1 2 259.378 2.759 10 0 CFAELO CCOC(=O)[C@]1([NH2+]C(C)C)CCCc2ccccc21 ZINC000037446299 173213536 /nfs/dbraw/zinc/21/35/36/173213536.db2.gz VVAQTYLOSINNIZ-INIZCTEOSA-N 1 2 261.365 2.779 10 0 CFAELO CCC[NH2+][C@](C)(C(=O)OC)c1c(C)cc(C)cc1C ZINC000037459177 173224101 /nfs/dbraw/zinc/22/41/01/173224101.db2.gz WZDLSNDFACFTBI-INIZCTEOSA-N 1 2 263.381 3.000 10 0 CFAELO CCOC(=O)[C@]1([NH2+]C)CCC(C)(C)c2ccccc21 ZINC000037458931 173224146 /nfs/dbraw/zinc/22/41/46/173224146.db2.gz ZNZADJHUQADAII-INIZCTEOSA-N 1 2 261.365 2.736 10 0 CFAELO COC(=O)C1([NH2+]C2CC2)CCC(C(C)(C)C)CC1 ZINC000037514001 173245377 /nfs/dbraw/zinc/24/53/77/173245377.db2.gz BMNREFSYFKVNPP-UHFFFAOYSA-N 1 2 253.386 2.887 10 0 CFAELO Nc1nc(Cn2cc[nH+]c2-c2ccccc2)cs1 ZINC000040228428 174208714 /nfs/dbraw/zinc/20/87/14/174208714.db2.gz JSQJQZAMCYWRNB-UHFFFAOYSA-N 1 2 256.334 2.637 10 0 CFAELO CCCCNC(=O)Cn1c(C)[nH+]c2cc(C)c(C)cc21 ZINC000040295502 174223456 /nfs/dbraw/zinc/22/34/56/174223456.db2.gz ZXJSOURLLMIRIS-UHFFFAOYSA-N 1 2 273.380 2.878 10 0 CFAELO CC(C)(C)C[NH2+]Cc1nc(=O)c2sccc2[nH]1 ZINC000040493705 174293533 /nfs/dbraw/zinc/29/35/33/174293533.db2.gz BQGVANHXNLMOML-UHFFFAOYSA-N 1 2 251.355 2.533 10 0 CFAELO Nc1[nH+]cnc(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040703968 174379129 /nfs/dbraw/zinc/37/91/29/174379129.db2.gz FVAMTFKQCXSDOC-UHFFFAOYSA-N 1 2 270.123 2.691 10 0 CFAELO Nc1nc[nH+]c(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040703968 174379130 /nfs/dbraw/zinc/37/91/30/174379130.db2.gz FVAMTFKQCXSDOC-UHFFFAOYSA-N 1 2 270.123 2.691 10 0 CFAELO COc1ccc(Nc2[nH+]cnc(NC(C)C)c2N)cc1 ZINC000040708187 174380415 /nfs/dbraw/zinc/38/04/15/174380415.db2.gz BKDOBIGMVVAWFT-UHFFFAOYSA-N 1 2 273.340 2.631 10 0 CFAELO COc1ccc(Nc2nc[nH+]c(NC(C)C)c2N)cc1 ZINC000040708187 174380417 /nfs/dbraw/zinc/38/04/17/174380417.db2.gz BKDOBIGMVVAWFT-UHFFFAOYSA-N 1 2 273.340 2.631 10 0 CFAELO CN(C)c1nc[nH+]c(Nc2cccc(Cl)c2)c1N ZINC000040723502 174386166 /nfs/dbraw/zinc/38/61/66/174386166.db2.gz DSGSEGSGYMPWEZ-UHFFFAOYSA-N 1 2 263.732 2.522 10 0 CFAELO CN(C)c1[nH+]cnc(Nc2cccc(Cl)c2)c1N ZINC000040723502 174386168 /nfs/dbraw/zinc/38/61/68/174386168.db2.gz DSGSEGSGYMPWEZ-UHFFFAOYSA-N 1 2 263.732 2.522 10 0 CFAELO CC(=O)Nc1cccc([C@@H](C)Nc2cc(C)[nH+]cn2)c1 ZINC000040727306 174387757 /nfs/dbraw/zinc/38/77/57/174387757.db2.gz YASGZBFVZJNFIU-LLVKDONJSA-N 1 2 270.336 2.917 10 0 CFAELO CCCN(CC1CC1)c1[nH+]c(C)ccc1C(N)=S ZINC000043396816 175035959 /nfs/dbraw/zinc/03/59/59/175035959.db2.gz GTRXHMSNGNWVNN-UHFFFAOYSA-N 1 2 263.410 2.651 10 0 CFAELO Cc1ccc(C(N)=S)c(N[C@H](C)c2ccccn2)[nH+]1 ZINC000043396657 175036079 /nfs/dbraw/zinc/03/60/79/175036079.db2.gz ULXZEBKSSDCKTF-SNVBAGLBSA-N 1 2 272.377 2.592 10 0 CFAELO Cc1ccc(CN(C)c2[nH+]c(C)ccc2C(N)=S)cc1 ZINC000043396539 175036244 /nfs/dbraw/zinc/03/62/44/175036244.db2.gz WPEHUOXEHXKQPE-UHFFFAOYSA-N 1 2 285.416 2.969 10 0 CFAELO CCN(Cc1ccco1)c1[nH+]c(C)ccc1C(N)=S ZINC000043396787 175036252 /nfs/dbraw/zinc/03/62/52/175036252.db2.gz NGPIOCWKZQMQOB-UHFFFAOYSA-N 1 2 275.377 2.644 10 0 CFAELO Cc1ccc(C(N)=S)c(N(C)[C@H](C)C(C)C)[nH+]1 ZINC000043396698 175036473 /nfs/dbraw/zinc/03/64/73/175036473.db2.gz HSCYHISLCYQEPV-SNVBAGLBSA-N 1 2 251.399 2.505 10 0 CFAELO Nc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1Cl ZINC000043423604 175039529 /nfs/dbraw/zinc/03/95/29/175039529.db2.gz UUCALFOWDZAFLG-UONOGXRCSA-N 1 2 266.772 2.676 10 0 CFAELO Nc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1Cl ZINC000043423604 175039530 /nfs/dbraw/zinc/03/95/30/175039530.db2.gz UUCALFOWDZAFLG-UONOGXRCSA-N 1 2 266.772 2.676 10 0 CFAELO COC(=O)[C@H](CC(C)C)n1c(N)[nH+]c2c1cccc2F ZINC000043436667 175045451 /nfs/dbraw/zinc/04/54/51/175045451.db2.gz RXWYGZJVRUDKTD-NSHDSACASA-N 1 2 279.315 2.518 10 0 CFAELO Nc1cc[nH+]c(Sc2ncnc3ccccc32)c1 ZINC000043569743 175067854 /nfs/dbraw/zinc/06/78/54/175067854.db2.gz LTBBSBGQQXIICO-UHFFFAOYSA-N 1 2 254.318 2.758 10 0 CFAELO CCOC(=O)C[C@H](C)n1c[nH+]c2cc(F)c(F)cc21 ZINC000043622118 175081049 /nfs/dbraw/zinc/08/10/49/175081049.db2.gz IUAOJMRCIQEOLB-QMMMGPOBSA-N 1 2 268.263 2.829 10 0 CFAELO CN[C@@H](C[N@@H+]1CCC[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000043902689 175122564 /nfs/dbraw/zinc/12/25/64/175122564.db2.gz SAEQOBYRQXXYQP-ZFWWWQNUSA-N 1 2 290.407 2.593 10 0 CFAELO CN[C@@H](C[N@H+]1CCC[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000043902689 175122565 /nfs/dbraw/zinc/12/25/65/175122565.db2.gz SAEQOBYRQXXYQP-ZFWWWQNUSA-N 1 2 290.407 2.593 10 0 CFAELO CCN(CC)c1nc(N)cc(-c2ccccc2C)[nH+]1 ZINC000044263263 175157205 /nfs/dbraw/zinc/15/72/05/175157205.db2.gz JBMKMWIURFAWKG-UHFFFAOYSA-N 1 2 256.353 2.880 10 0 CFAELO CCN(CC)c1nc(N)cc(-c2cccc(C)c2)[nH+]1 ZINC000044263271 175157250 /nfs/dbraw/zinc/15/72/50/175157250.db2.gz LPEHYPMBTHFIQQ-UHFFFAOYSA-N 1 2 256.353 2.880 10 0 CFAELO CCN(CC)c1nc(N)cc(-c2ccc(F)cc2)[nH+]1 ZINC000044263338 175157353 /nfs/dbraw/zinc/15/73/53/175157353.db2.gz FKXFORCYTLAQQJ-UHFFFAOYSA-N 1 2 260.316 2.711 10 0 CFAELO Cc1ccccc1-c1cc(N)nc(N2CCCC2)[nH+]1 ZINC000044263362 175157384 /nfs/dbraw/zinc/15/73/84/175157384.db2.gz MHBWWUOVJJNEGJ-UHFFFAOYSA-N 1 2 254.337 2.634 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H](C)c2ccc(C)s2)c1N ZINC000044591453 175213141 /nfs/dbraw/zinc/21/31/41/175213141.db2.gz ZMJMNSDCGBEPDL-VIFPVBQESA-N 1 2 293.392 2.930 10 0 CFAELO CCC[NH2+]CC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000044626945 175221311 /nfs/dbraw/zinc/22/13/11/175221311.db2.gz DTLQFKFPAPFVCF-BFHYXJOUSA-N 1 2 255.402 2.990 10 0 CFAELO Cc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)no1 ZINC000044692380 175233985 /nfs/dbraw/zinc/23/39/85/175233985.db2.gz BTCIGQQMSCBBSW-LBPRGKRZSA-N 1 2 288.347 2.995 10 0 CFAELO COc1ccc([C@@H](C)[NH2+]Cc2cc(C)on2)c(OC)c1 ZINC000044692423 175234117 /nfs/dbraw/zinc/23/41/17/175234117.db2.gz RQNVPEBAJZYYBC-LLVKDONJSA-N 1 2 276.336 2.851 10 0 CFAELO NC(=O)c1cc([N@@H+]2CCC[C@@H]2C2CCCC2)ccc1N ZINC000045091951 175306270 /nfs/dbraw/zinc/30/62/70/175306270.db2.gz BXFQBVILCIALRA-OAHLLOKOSA-N 1 2 273.380 2.527 10 0 CFAELO NC(=O)c1cc([N@H+]2CCC[C@@H]2C2CCCC2)ccc1N ZINC000045091951 175306272 /nfs/dbraw/zinc/30/62/72/175306272.db2.gz BXFQBVILCIALRA-OAHLLOKOSA-N 1 2 273.380 2.527 10 0 CFAELO CCN(C[C@](C)([NH2+]C(C)C)C(=O)OC)c1ccccc1C ZINC000045223020 175331328 /nfs/dbraw/zinc/33/13/28/175331328.db2.gz VUASLPMQVTZRBK-KRWDZBQOSA-N 1 2 292.423 2.751 10 0 CFAELO CCC[NH2+][C@@](C)(CN(CC)c1cccc(C)c1)C(=O)OC ZINC000045273179 175343811 /nfs/dbraw/zinc/34/38/11/175343811.db2.gz ZGLHDCMREJOFDD-KRWDZBQOSA-N 1 2 292.423 2.753 10 0 CFAELO CCCC[N@H+](C[C@](C)([NH2+]C(C)C)C(=O)[O-])[C@@H](C)CC ZINC000045282504 175352457 /nfs/dbraw/zinc/35/24/57/175352457.db2.gz QHDSSMVNCFWUHA-ZFWWWQNUSA-N 1 2 272.433 2.728 10 0 CFAELO CCCC[N@@H+](C[C@](C)([NH2+]C(C)C)C(=O)[O-])[C@@H](C)CC ZINC000045282504 175352459 /nfs/dbraw/zinc/35/24/59/175352459.db2.gz QHDSSMVNCFWUHA-ZFWWWQNUSA-N 1 2 272.433 2.728 10 0 CFAELO COC(=O)[C@H](C)Oc1cc(C)[nH+]c2c(C)cccc12 ZINC000045923873 175386951 /nfs/dbraw/zinc/38/69/51/175386951.db2.gz YIJSEJHWNHSALF-NSHDSACASA-N 1 2 259.305 2.792 10 0 CFAELO COC(=O)c1ccc(N[C@@H](C)c2[nH+]ccn2C)c(C)c1 ZINC000070444604 175936849 /nfs/dbraw/zinc/93/68/49/175936849.db2.gz LGOVVRHEWXKREF-NSHDSACASA-N 1 2 273.336 2.688 10 0 CFAELO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2F)C1 ZINC000071652499 176241506 /nfs/dbraw/zinc/24/15/06/176241506.db2.gz FHHDVDIBQWRTQV-ZDUSSCGKSA-N 1 2 298.333 2.846 10 0 CFAELO Cn1cc([C@H](c2c[nH]c3ccccc32)n2cc[nH+]c2)cn1 ZINC000071708803 176248545 /nfs/dbraw/zinc/24/85/45/176248545.db2.gz PWXHCCWCLFSNIM-MRXNPFEDSA-N 1 2 277.331 2.736 10 0 CFAELO CNc1cccc([C@H]2CCCN(C(=O)c3ccncc3)C2)[nH+]1 ZINC000072363914 176378319 /nfs/dbraw/zinc/37/83/19/176378319.db2.gz JTKIIWOWUVOIOR-AWEZNQCLSA-N 1 2 296.374 2.538 10 0 CFAELO C[C@H]1COC[C@H](C)[NH+]1Cc1ccccc1OC(F)F ZINC000077367692 177258362 /nfs/dbraw/zinc/25/83/62/177258362.db2.gz VIEIJQZLUGPYPC-QWRGUYRKSA-N 1 2 271.307 2.897 10 0 CFAELO Cc1ccc2c(C[N@H+]3[C@H](C)COC[C@@H]3C)cc(=O)oc2c1 ZINC000077369003 177259454 /nfs/dbraw/zinc/25/94/54/177259454.db2.gz BFLCSPVEIPELPK-BETUJISGSA-N 1 2 287.359 2.711 10 0 CFAELO Cc1ccc2c(C[N@@H+]3[C@H](C)COC[C@@H]3C)cc(=O)oc2c1 ZINC000077369003 177259456 /nfs/dbraw/zinc/25/94/56/177259456.db2.gz BFLCSPVEIPELPK-BETUJISGSA-N 1 2 287.359 2.711 10 0 CFAELO COCCOc1ccc([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000085634150 292603880 /nfs/dbraw/zinc/60/38/80/292603880.db2.gz WNMQVWZNRJEXRV-XHSDSOJGSA-N 1 2 291.391 2.937 10 0 CFAELO C[N@@H+]1Cc2cccc(NC(=O)c3ccccc3)c2C1 ZINC000169814779 277208761 /nfs/dbraw/zinc/20/87/61/277208761.db2.gz OKHORNNXJCWYKM-UHFFFAOYSA-N 1 2 252.317 2.884 10 0 CFAELO C[N@H+]1Cc2cccc(NC(=O)c3ccccc3)c2C1 ZINC000169814779 277208764 /nfs/dbraw/zinc/20/87/64/277208764.db2.gz OKHORNNXJCWYKM-UHFFFAOYSA-N 1 2 252.317 2.884 10 0 CFAELO COCCN1CC[N@@H+]([C@@H](C)c2ccccc2F)C[C@@H]1C ZINC000106107619 277225672 /nfs/dbraw/zinc/22/56/72/277225672.db2.gz UZERXSPUBHFSEM-KBPBESRZSA-N 1 2 280.387 2.539 10 0 CFAELO COCCN1CC[N@H+]([C@@H](C)c2ccccc2F)C[C@@H]1C ZINC000106107619 277225673 /nfs/dbraw/zinc/22/56/73/277225673.db2.gz UZERXSPUBHFSEM-KBPBESRZSA-N 1 2 280.387 2.539 10 0 CFAELO CC(C)(C)n1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cn1 ZINC000091979427 277284433 /nfs/dbraw/zinc/28/44/33/277284433.db2.gz GBKONTAVLQUSTJ-LSDHHAIUSA-N 1 2 277.412 2.782 10 0 CFAELO CC(C)(C)n1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cn1 ZINC000091979427 277284434 /nfs/dbraw/zinc/28/44/34/277284434.db2.gz GBKONTAVLQUSTJ-LSDHHAIUSA-N 1 2 277.412 2.782 10 0 CFAELO CC(C)c1nc2c(n1C)CC[N@H+](C[C@@H]1CCC(C)(C)O1)C2 ZINC000184668204 278074981 /nfs/dbraw/zinc/07/49/81/278074981.db2.gz DOAVWMSMVDSTNY-ZDUSSCGKSA-N 1 2 291.439 2.859 10 0 CFAELO CC(C)c1nc2c(n1C)CC[N@@H+](C[C@@H]1CCC(C)(C)O1)C2 ZINC000184668204 278074982 /nfs/dbraw/zinc/07/49/82/278074982.db2.gz DOAVWMSMVDSTNY-ZDUSSCGKSA-N 1 2 291.439 2.859 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@@H]1CCC(C)(C)O1)C2 ZINC000184668204 278074984 /nfs/dbraw/zinc/07/49/84/278074984.db2.gz DOAVWMSMVDSTNY-ZDUSSCGKSA-N 1 2 291.439 2.859 10 0 CFAELO C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1nnc2n1CCCC2 ZINC000131071478 278379765 /nfs/dbraw/zinc/37/97/65/278379765.db2.gz SLDAKSHIIUGCEZ-GHMZBOCLSA-N 1 2 289.358 2.560 10 0 CFAELO CC1(C)C[C@H]([NH2+]Cc2ncc[nH]2)c2ccccc2O1 ZINC000126884299 278389243 /nfs/dbraw/zinc/38/92/43/278389243.db2.gz ANPYXPGNOOMJSL-LBPRGKRZSA-N 1 2 257.337 2.802 10 0 CFAELO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000249735324 279100019 /nfs/dbraw/zinc/10/00/19/279100019.db2.gz DNDKKOKAULVQTE-HRCADAONSA-N 1 2 296.455 2.523 10 0 CFAELO CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000249735324 279100020 /nfs/dbraw/zinc/10/00/20/279100020.db2.gz 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/nfs/dbraw/zinc/27/85/96/294278596.db2.gz HBJOWMVMNZZMIU-ZDUSSCGKSA-N 1 2 276.771 2.806 10 0 CFAELO Cn1ncc2c1nc[nH+]c2NC1C2CC3CC(C2)CC1C3 ZINC000192940140 294575130 /nfs/dbraw/zinc/57/51/30/294575130.db2.gz NKWPJDJLQKUZBW-UHFFFAOYSA-N 1 2 283.379 2.600 10 0 CFAELO O[C@@](/C=C\c1ccccc1)(Cn1cc[nH+]c1)c1cccnc1 ZINC000091355898 304839099 /nfs/dbraw/zinc/83/90/99/304839099.db2.gz INEMRPSXPMOPJH-GIFJBRJJSA-N 1 2 291.354 2.879 10 0 CFAELO CCc1nc(C2([NH2+]C[C@H]3CC[C@H](C)O3)CCCC2)no1 ZINC000190607443 324041990 /nfs/dbraw/zinc/04/19/90/324041990.db2.gz ZHWALWBXSGOAML-NWDGAFQWSA-N 1 2 279.384 2.558 10 0 CFAELO CC[NH2+][C@@H](CCSCc1ccccc1)C(=O)OCC ZINC000062598116 520095625 /nfs/dbraw/zinc/09/56/25/520095625.db2.gz NLCQURBFQAAJRV-AWEZNQCLSA-N 1 2 281.421 2.851 10 0 CFAELO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000049370685 521025738 /nfs/dbraw/zinc/02/57/38/521025738.db2.gz UGAIGALDLXHPPU-VHSXEESVSA-N 1 2 255.383 2.913 10 0 CFAELO CC(C)CCc1noc(C[N@@H+]2CCS[C@@H](C)C2)n1 ZINC000171687216 519699197 /nfs/dbraw/zinc/69/91/97/519699197.db2.gz XQKNPZIGBLHVBN-NSHDSACASA-N 1 2 269.414 2.596 10 0 CFAELO CC(C)CCc1noc(C[N@H+]2CCS[C@@H](C)C2)n1 ZINC000171687216 519699199 /nfs/dbraw/zinc/69/91/99/519699199.db2.gz XQKNPZIGBLHVBN-NSHDSACASA-N 1 2 269.414 2.596 10 0 CFAELO CC(=O)Nc1ccc(SCc2ccc(N)[nH+]c2)cc1 ZINC000050834256 519732153 /nfs/dbraw/zinc/73/21/53/519732153.db2.gz PHIAUPQYJSVCTN-UHFFFAOYSA-N 1 2 273.361 2.915 10 0 CFAELO CC(=O)Nc1ccc(SCc2ccc[nH+]c2N)cc1 ZINC000052756126 519732360 /nfs/dbraw/zinc/73/23/60/519732360.db2.gz PFBYSKBKBLMUNL-UHFFFAOYSA-N 1 2 273.361 2.915 10 0 CFAELO CC(C)OCC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000173713120 519768242 /nfs/dbraw/zinc/76/82/42/519768242.db2.gz SIWVRPAPVHLVOM-UHFFFAOYSA-N 1 2 279.384 2.731 10 0 CFAELO CC(C)c1cc(N)nc(-c2ccc3c(c2)OCCO3)[nH+]1 ZINC000050867057 519833038 /nfs/dbraw/zinc/83/30/38/519833038.db2.gz ICSNKXDQSSUYNX-UHFFFAOYSA-N 1 2 271.320 2.620 10 0 CFAELO CCOCCN1CC[N@@H+]([C@H](C)c2ccccn2)C[C@@H]1CC ZINC000246474481 519922514 /nfs/dbraw/zinc/92/25/14/519922514.db2.gz WZVVNGNGCYHYEP-CVEARBPZSA-N 1 2 291.439 2.575 10 0 CFAELO CCOCCN1CC[N@H+]([C@H](C)c2ccccn2)C[C@@H]1CC ZINC000246474481 519922518 /nfs/dbraw/zinc/92/25/18/519922518.db2.gz WZVVNGNGCYHYEP-CVEARBPZSA-N 1 2 291.439 2.575 10 0 CFAELO CC[NH2+][C@@H](c1nnc(CC(F)(F)F)o1)c1ccccc1 ZINC000050618099 520114670 /nfs/dbraw/zinc/11/46/70/520114670.db2.gz HSBQTIUZAXOQDH-LLVKDONJSA-N 1 2 285.269 2.873 10 0 CFAELO CCNc1cc(C)[nH+]c(-c2cc(OC)cc(OC)c2)n1 ZINC000050864573 520269185 /nfs/dbraw/zinc/26/91/85/520269185.db2.gz MPDPUDKODBNXKY-UHFFFAOYSA-N 1 2 273.336 2.901 10 0 CFAELO CCNc1cc(C)[nH+]c(Cc2cccc(OC)c2)n1 ZINC000050848875 520269905 /nfs/dbraw/zinc/26/99/05/520269905.db2.gz LOWSSMUKHHTCKZ-UHFFFAOYSA-N 1 2 257.337 2.816 10 0 CFAELO CCNc1nc(-c2ccc(O)cc2)[nH+]c2c1CCC2 ZINC000050867682 520351291 /nfs/dbraw/zinc/35/12/91/520351291.db2.gz ICURKCQGWCUVHP-UHFFFAOYSA-N 1 2 255.321 2.770 10 0 CFAELO CCNc1nc(C[NH+]2CCSCC2)nc2sccc21 ZINC000050791855 520356721 /nfs/dbraw/zinc/35/67/21/520356721.db2.gz CIYUOLCPLSOYOO-UHFFFAOYSA-N 1 2 294.449 2.672 10 0 CFAELO CCNc1[nH+]c2cc(OC)ccc2cc1COCCOC ZINC000050831325 520360827 /nfs/dbraw/zinc/36/08/27/520360827.db2.gz IQVCBCHMRRVHJY-UHFFFAOYSA-N 1 2 290.363 2.838 10 0 CFAELO CCO[C@@H]1C[C@H](N(C)c2cc(C)[nH+]cn2)C12CCCC2 ZINC000156888090 520408609 /nfs/dbraw/zinc/40/86/09/520408609.db2.gz YNIIVELYFWJLDH-UONOGXRCSA-N 1 2 275.396 2.959 10 0 CFAELO CCOc1cc(-c2nc(NC)cc(C)[nH+]2)ccc1O ZINC000050864496 520613799 /nfs/dbraw/zinc/61/37/99/520613799.db2.gz NSTYPHNJNQLFSJ-UHFFFAOYSA-N 1 2 259.309 2.598 10 0 CFAELO CCC[C@@H]([NH2+][C@H](COC)C1CC1)C(=O)OC(C)(C)C ZINC000157467931 520793446 /nfs/dbraw/zinc/79/34/46/520793446.db2.gz QFHITXCNNYQJLG-CHWSQXEVSA-N 1 2 271.401 2.511 10 0 CFAELO CCN(CC1CC1)c1[nH+]c2c(cc1C(N)=S)CCCC2 ZINC000069238519 520970786 /nfs/dbraw/zinc/97/07/86/520970786.db2.gz UNZZMCOOKPRSQJ-UHFFFAOYSA-N 1 2 289.448 2.831 10 0 CFAELO CCCC[C@@H](C)[NH2+]c1cc2c(cc1N)OCC(=O)N2 ZINC000050887135 521010900 /nfs/dbraw/zinc/01/09/00/521010900.db2.gz LFTJGXFUTNHELJ-SECBINFHSA-N 1 2 263.341 2.590 10 0 CFAELO CCC[C@H](CC)[NH2+]Cc1nc(=O)c2sccc2[nH]1 ZINC000050404557 521083039 /nfs/dbraw/zinc/08/30/39/521083039.db2.gz BBGVXFIRISPNCM-VIFPVBQESA-N 1 2 265.382 2.653 10 0 CFAELO CCOC(=O)[C@@](C)(CCOc1c(C)cccc1C)[NH2+]C ZINC000045509256 521145568 /nfs/dbraw/zinc/14/55/68/521145568.db2.gz CWKPZFPFYVSFND-MRXNPFEDSA-N 1 2 279.380 2.614 10 0 CFAELO CCOC(=O)[C@@](C)(CCSc1ccccc1)[NH2+]C ZINC000045555155 521146688 /nfs/dbraw/zinc/14/66/88/521146688.db2.gz FJTQQSRKSJYRFE-CQSZACIVSA-N 1 2 267.394 2.710 10 0 CFAELO CCC(C)(C)N(C)c1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000069444305 521312236 /nfs/dbraw/zinc/31/22/36/521312236.db2.gz XSQRATDSFBISOW-UHFFFAOYSA-N 1 2 277.437 2.829 10 0 CFAELO CCOC(=O)c1c[nH+]c2ccc(OC(C)C)cc2c1N ZINC000050843315 521576600 /nfs/dbraw/zinc/57/66/00/521576600.db2.gz WZXNUUAJSFHTQW-UHFFFAOYSA-N 1 2 274.320 2.781 10 0 CFAELO CCc1ccccc1C[NH2+][C@H](CC(C)C)C(=O)OC ZINC000052201523 521843555 /nfs/dbraw/zinc/84/35/55/521843555.db2.gz KUEUDYWUCDTHGS-OAHLLOKOSA-N 1 2 263.381 2.926 10 0 CFAELO C[NH2+][C@@H](CCSc1ccccc1Cl)C(=O)OC ZINC000062598729 522352422 /nfs/dbraw/zinc/35/24/22/522352422.db2.gz MHQKXQRWVWPUEP-JTQLQIEISA-N 1 2 273.785 2.583 10 0 CFAELO C[NH2+][C@](C)(CCSCc1cccc(C)c1)C(=O)OC ZINC000054966491 522515716 /nfs/dbraw/zinc/51/57/16/522515716.db2.gz ONNPGEVOOBVTQY-OAHLLOKOSA-N 1 2 281.421 2.769 10 0 CFAELO CNc1ccc(CN(C)c2cccc(OC)c2)c[nH+]1 ZINC000050815424 522605762 /nfs/dbraw/zinc/60/57/62/522605762.db2.gz XVGAEONGNYOOAR-UHFFFAOYSA-N 1 2 257.337 2.768 10 0 CFAELO CNc1ccc(CN2c3ccccc3CCC2=O)c[nH+]1 ZINC000050818659 522609897 /nfs/dbraw/zinc/60/98/97/522609897.db2.gz IDHFYSDXSXCSRV-UHFFFAOYSA-N 1 2 267.332 2.603 10 0 CFAELO CNc1nc(-c2cc(OC)cc(OC)c2)[nH+]c(C)c1C ZINC000050865840 522674502 /nfs/dbraw/zinc/67/45/02/522674502.db2.gz FIIXCOYJUDHHRO-UHFFFAOYSA-N 1 2 273.336 2.819 10 0 CFAELO CNc1nc(-c2ccc3c(c2)CCO3)[nH+]c(C)c1C ZINC000050865934 522676201 /nfs/dbraw/zinc/67/62/01/522676201.db2.gz HJRFHISQHJHHPU-UHFFFAOYSA-N 1 2 255.321 2.737 10 0 CFAELO Cn1c(C[N@@H+]2CCC[C@H]2c2ccco2)nnc1C1CC1 ZINC000116287535 534685876 /nfs/dbraw/zinc/68/58/76/534685876.db2.gz QTVAAIIIULMXJC-LBPRGKRZSA-N 1 2 272.352 2.623 10 0 CFAELO Cn1c(C[N@H+]2CCC[C@H]2c2ccco2)nnc1C1CC1 ZINC000116287535 534685883 /nfs/dbraw/zinc/68/58/83/534685883.db2.gz QTVAAIIIULMXJC-LBPRGKRZSA-N 1 2 272.352 2.623 10 0 CFAELO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(Cl)cc1N ZINC000050442943 523343419 /nfs/dbraw/zinc/34/34/19/523343419.db2.gz MEBRSAFLNHMPPX-GWCFXTLKSA-N 1 2 268.788 2.922 10 0 CFAELO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(Cl)cc1N ZINC000050442943 523343427 /nfs/dbraw/zinc/34/34/27/523343427.db2.gz MEBRSAFLNHMPPX-GWCFXTLKSA-N 1 2 268.788 2.922 10 0 CFAELO C[N@H+](Cc1ccccc1)Cc1nc2sccc2c(N)n1 ZINC000050793038 523347911 /nfs/dbraw/zinc/34/79/11/523347911.db2.gz VWWALUMOYKKSKF-UHFFFAOYSA-N 1 2 284.388 2.906 10 0 CFAELO C[N@@H+](Cc1ccccc1)Cc1nc2sccc2c(N)n1 ZINC000050793038 523347914 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266.300 2.871 10 0 CFAELO Cc1ccccc1[C@H](C)NC(=O)NCCNc1cccc[nH+]1 ZINC000045571820 346411545 /nfs/dbraw/zinc/41/15/45/346411545.db2.gz UWBOHGBXKDTPRH-AWEZNQCLSA-N 1 2 298.390 2.862 10 0 CFAELO COCCOc1ccc([NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000085634153 179108638 /nfs/dbraw/zinc/10/86/38/179108638.db2.gz WNMQVWZNRJEXRV-JYJNAYRXSA-N 1 2 291.391 2.937 10 0 CFAELO CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccnc2ccccc12 ZINC000111763330 347756267 /nfs/dbraw/zinc/75/62/67/347756267.db2.gz DFROGAGODYYXRJ-HNNXBMFYSA-N 1 2 269.392 2.809 10 0 CFAELO CCCc1[nH+]c(C)c2c(C)nc3sc(OC)nc3n12 ZINC000146994160 347947060 /nfs/dbraw/zinc/94/70/60/347947060.db2.gz HVZHKZZWGGXNFS-UHFFFAOYSA-N 1 2 276.365 2.917 10 0 CFAELO Cc1nc(-c2ncc(Cl)cc2Cl)[nH+]c(NN)c1C ZINC000086784339 179332417 /nfs/dbraw/zinc/33/24/17/179332417.db2.gz LXLPAOWQNRJKIN-UHFFFAOYSA-N 1 2 284.150 2.748 10 0 CFAELO Cc1cc(NC(=O)C(C)(C)Br)cc[nH+]1 ZINC000162821429 348032111 /nfs/dbraw/zinc/03/21/11/348032111.db2.gz DYCCUKQNDBLBCG-UHFFFAOYSA-N 1 2 257.131 2.502 10 0 CFAELO c1c[nH+]c(N2CCCC2)c(N[C@H]2CCCOCC2)c1 ZINC000086870746 179363512 /nfs/dbraw/zinc/36/35/12/179363512.db2.gz ZLDZAHJXZYWFSC-ZDUSSCGKSA-N 1 2 261.369 2.663 10 0 CFAELO Brc1ccsc1[C@H]1[NH2+]CCS1 ZINC000228017074 348192352 /nfs/dbraw/zinc/19/23/52/348192352.db2.gz OYEFCGSMUGMYRX-ZETCQYMHSA-N 1 2 250.186 2.846 10 0 CFAELO c1csc(CNc2cc(N[C@H]3CCCOC3)[nH+]cn2)c1 ZINC000328628087 348441850 /nfs/dbraw/zinc/44/18/50/348441850.db2.gz GYPQFKGBNXHTHN-NSHDSACASA-N 1 2 290.392 2.741 10 0 CFAELO c1csc(CNc2cc(N[C@H]3CCCOC3)nc[nH+]2)c1 ZINC000328628087 348441855 /nfs/dbraw/zinc/44/18/55/348441855.db2.gz GYPQFKGBNXHTHN-NSHDSACASA-N 1 2 290.392 2.741 10 0 CFAELO CNc1c(N)c[nH+]c2c(OC)cc(Cl)c(OC)c12 ZINC000584882356 348725841 /nfs/dbraw/zinc/72/58/41/348725841.db2.gz DPZDXAFRSXSHGV-UHFFFAOYSA-N 1 2 267.716 2.529 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1C)C2 ZINC000220585036 539753286 /nfs/dbraw/zinc/75/32/86/539753286.db2.gz FNFCUERKZGZLOU-CYZMBNFOSA-N 1 2 275.396 2.518 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)CC2 ZINC000220585036 539753289 /nfs/dbraw/zinc/75/32/89/539753289.db2.gz FNFCUERKZGZLOU-CYZMBNFOSA-N 1 2 275.396 2.518 10 0 CFAELO COc1c(CNc2ccc([NH+](C)C)cc2C)c(C)nn1C ZINC000092119573 180328072 /nfs/dbraw/zinc/32/80/72/180328072.db2.gz GCBPZWLUAUIYPV-UHFFFAOYSA-N 1 2 288.395 2.724 10 0 CFAELO CC(C)(C)n1cc(C[NH+]2CCN(C/C=C/Cl)CC2)cn1 ZINC000105916809 186089078 /nfs/dbraw/zinc/08/90/78/186089078.db2.gz RIKAMIZWAMAGAF-SNAWJCMRSA-N 1 2 296.846 2.508 10 0 CFAELO CC(C)(C)n1cc(CN2CC[NH+](C/C=C/Cl)CC2)cn1 ZINC000105916809 186089080 /nfs/dbraw/zinc/08/90/80/186089080.db2.gz RIKAMIZWAMAGAF-SNAWJCMRSA-N 1 2 296.846 2.508 10 0 CFAELO CC(C)CCOCCN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106387559 186113096 /nfs/dbraw/zinc/11/30/96/186113096.db2.gz ZUSGNJCPLPSGFF-UHFFFAOYSA-N 1 2 293.455 2.964 10 0 CFAELO CC(C)CCOCC[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106387559 186113098 /nfs/dbraw/zinc/11/30/98/186113098.db2.gz ZUSGNJCPLPSGFF-UHFFFAOYSA-N 1 2 293.455 2.964 10 0 CFAELO CC(C)CCOCC[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106387559 186113100 /nfs/dbraw/zinc/11/31/00/186113100.db2.gz ZUSGNJCPLPSGFF-UHFFFAOYSA-N 1 2 293.455 2.964 10 0 CFAELO CCOC(=O)N1CCC[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616629361 352391522 /nfs/dbraw/zinc/39/15/22/352391522.db2.gz WPMBBECMQFFQJH-GFCCVEGCSA-N 1 2 263.341 2.505 10 0 CFAELO c1ccc(C[N@@H+]2CCOC[C@@H]2c2ccncc2)cc1 ZINC000616638667 352395507 /nfs/dbraw/zinc/39/55/07/352395507.db2.gz CMWBSUXSQOKLDP-MRXNPFEDSA-N 1 2 254.333 2.655 10 0 CFAELO c1ccc(C[N@H+]2CCOC[C@@H]2c2ccncc2)cc1 ZINC000616638667 352395511 /nfs/dbraw/zinc/39/55/11/352395511.db2.gz CMWBSUXSQOKLDP-MRXNPFEDSA-N 1 2 254.333 2.655 10 0 CFAELO c1cc([C@@H]2COCCC[N@H+]2Cc2ccccc2)no1 ZINC000616645918 352397214 /nfs/dbraw/zinc/39/72/14/352397214.db2.gz CMMIMYHVIBPMMB-HNNXBMFYSA-N 1 2 258.321 2.638 10 0 CFAELO c1cc([C@@H]2COCCC[N@@H+]2Cc2ccccc2)no1 ZINC000616645918 352397216 /nfs/dbraw/zinc/39/72/16/352397216.db2.gz CMMIMYHVIBPMMB-HNNXBMFYSA-N 1 2 258.321 2.638 10 0 CFAELO CC(=O)N1CC[C@H](c2ccc[nH+]c2N)c2ccccc21 ZINC000616674490 352408582 /nfs/dbraw/zinc/40/85/82/352408582.db2.gz DHIBNIRXNVQTEZ-LBPRGKRZSA-N 1 2 267.332 2.552 10 0 CFAELO CCOC(=O)N1C[C@@H](c2cc[nH+]c(N)c2)Nc2ccccc21 ZINC000616686921 352413731 /nfs/dbraw/zinc/41/37/31/352413731.db2.gz VZAGLIBUHDDFBM-ZDUSSCGKSA-N 1 2 298.346 2.624 10 0 CFAELO CCOc1ccccc1[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC000271746393 191304173 /nfs/dbraw/zinc/30/41/73/191304173.db2.gz JQFWFKLRMCSYJA-SNVBAGLBSA-N 1 2 261.325 2.628 10 0 CFAELO Cc1ncsc1CC[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000175615308 188959253 /nfs/dbraw/zinc/95/92/53/188959253.db2.gz DJHBSRZZYDCLAQ-LJQANCHMSA-N 1 2 297.449 2.720 10 0 CFAELO Cc1nc(C[S@](=O)Cc2[nH+]ccn2C(C)C)cs1 ZINC000176838481 189010812 /nfs/dbraw/zinc/01/08/12/189010812.db2.gz KDKVUSUGEWALPH-SFHVURJKSA-N 1 2 283.422 2.678 10 0 CFAELO Cc1ncc(C[S@](=O)Cc2[nH+]ccn2C(C)C)s1 ZINC000176840903 189011272 /nfs/dbraw/zinc/01/12/72/189011272.db2.gz PCVCVKAWLRJBID-SFHVURJKSA-N 1 2 283.422 2.678 10 0 CFAELO CCn1c(C)nnc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000178048710 189087882 /nfs/dbraw/zinc/08/78/82/189087882.db2.gz BDCCWCOXSNYSPY-MRXNPFEDSA-N 1 2 299.422 2.683 10 0 CFAELO CCn1c(C)nnc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000178048710 189087883 /nfs/dbraw/zinc/08/78/83/189087883.db2.gz BDCCWCOXSNYSPY-MRXNPFEDSA-N 1 2 299.422 2.683 10 0 CFAELO CCC[C@@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccccn1 ZINC000090224642 283569260 /nfs/dbraw/zinc/56/92/60/283569260.db2.gz ICVGVORZGMZIOZ-HUUCEWRRSA-N 1 2 285.395 2.947 10 0 CFAELO COC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000193095578 291237906 /nfs/dbraw/zinc/23/79/06/291237906.db2.gz RZDOQXLOCKENTM-GMTAPVOTSA-N 1 2 292.404 2.939 10 0 CFAELO C[C@@H]1C[NH+](Cc2nc3cc(F)ccc3o2)C[C@@H](C)O1 ZINC000130771213 540877941 /nfs/dbraw/zinc/87/79/41/540877941.db2.gz HLONSAHLIJHMFL-NXEZZACHSA-N 1 2 264.300 2.576 10 0 CFAELO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1csnn1)c1ccccc1 ZINC000180241645 189245581 /nfs/dbraw/zinc/24/55/81/189245581.db2.gz UXAAAENCPYSKSP-CABCVRRESA-N 1 2 289.404 2.626 10 0 CFAELO O[C@@H](C[C@H]1CCC[N@H+]1Cc1csnn1)c1ccccc1 ZINC000180241645 189245582 /nfs/dbraw/zinc/24/55/82/189245582.db2.gz UXAAAENCPYSKSP-CABCVRRESA-N 1 2 289.404 2.626 10 0 CFAELO CC[S@](=O)[C@H]1CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000301536143 201054364 /nfs/dbraw/zinc/05/43/64/201054364.db2.gz IYRAGADZICEHLW-PEBVRCNWSA-N 1 2 252.383 2.573 10 0 CFAELO COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CCS[C@@H](C)C1 ZINC000248633138 291288489 /nfs/dbraw/zinc/28/84/89/291288489.db2.gz SZLIOJOUUKRGTK-GXTWGEPZSA-N 1 2 279.405 2.646 10 0 CFAELO COC(=O)[C@@H](c1ccccc1C)[N@H+]1CCS[C@@H](C)C1 ZINC000248633138 291288490 /nfs/dbraw/zinc/28/84/90/291288490.db2.gz SZLIOJOUUKRGTK-GXTWGEPZSA-N 1 2 279.405 2.646 10 0 CFAELO CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000186301570 189436136 /nfs/dbraw/zinc/43/61/36/189436136.db2.gz YAQVQGRMBHVOQA-YCPHGPKFSA-N 1 2 275.396 2.556 10 0 CFAELO CC1(CCNc2cc(C(F)(F)F)cc[nH+]2)OCCO1 ZINC000302108100 201343284 /nfs/dbraw/zinc/34/32/84/201343284.db2.gz AUTRBJFDKVGDSJ-UHFFFAOYSA-N 1 2 276.258 2.665 10 0 CFAELO Cc1nc(NCCC2=CCOCC2)c2c([nH+]1)CCCC2 ZINC000302116295 201348251 /nfs/dbraw/zinc/34/82/51/201348251.db2.gz WFNPRBVKUXQHIW-UHFFFAOYSA-N 1 2 273.380 2.813 10 0 CFAELO Cc1nc(C[NH2+]Cc2ccccn2)sc1Br ZINC000449401588 241903979 /nfs/dbraw/zinc/90/39/79/241903979.db2.gz NHABIOOUXZOMIP-UHFFFAOYSA-N 1 2 298.209 2.899 10 0 CFAELO OCCCCc1[nH]c2ccc(Br)cc2[nH+]1 ZINC000026462199 372322101 /nfs/dbraw/zinc/32/21/01/372322101.db2.gz XBKXXRGNRGTDDX-UHFFFAOYSA-N 1 2 269.142 2.640 10 0 CFAELO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1cccs1 ZINC000036980852 372621065 /nfs/dbraw/zinc/62/10/65/372621065.db2.gz AKGWQQWJZOLVPQ-QWRGUYRKSA-N 1 2 255.383 2.986 10 0 CFAELO Cc1nc(N2CCC[C@H](O)C2)cc(-c2ccc(F)cc2)[nH+]1 ZINC000070458553 374181251 /nfs/dbraw/zinc/18/12/51/374181251.db2.gz BRFLMDPULBBNAZ-AWEZNQCLSA-N 1 2 287.338 2.552 10 0 CFAELO CCc1nc(N2CCC(=O)CC2)cc(-c2ccccc2)[nH+]1 ZINC000070452121 374179702 /nfs/dbraw/zinc/17/97/02/374179702.db2.gz KEZKQNLSFQGFPL-UHFFFAOYSA-N 1 2 281.359 2.875 10 0 CFAELO Cc1ccnc2c1NC(=[NH2+])c1cccnc1N2C1CC1 ZINC000071789499 374225602 /nfs/dbraw/zinc/22/56/02/374225602.db2.gz PMFNBEGRVUUDKX-UHFFFAOYSA-N 1 2 265.320 2.836 10 0 CFAELO c1cn2cc(-c3c[nH]nc3-c3ccccn3)ccc2[nH+]1 ZINC000089201390 374887030 /nfs/dbraw/zinc/88/70/30/374887030.db2.gz FDBMUXAAKAVYEW-UHFFFAOYSA-N 1 2 261.288 2.786 10 0 CFAELO CC(C)NC(=S)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000089202749 374887473 /nfs/dbraw/zinc/88/74/73/374887473.db2.gz KRAMGNHBVAJTFY-UHFFFAOYSA-N 1 2 260.366 2.772 10 0 CFAELO Cc1csc([C@@H]2CCC[N@H+](Cc3cn[nH]c3C)C2)n1 ZINC000092788401 375154596 /nfs/dbraw/zinc/15/45/96/375154596.db2.gz DXADELDYRWEFFW-GFCCVEGCSA-N 1 2 276.409 2.863 10 0 CFAELO Cc1csc([C@@H]2CCC[N@@H+](Cc3cn[nH]c3C)C2)n1 ZINC000092788401 375154599 /nfs/dbraw/zinc/15/45/99/375154599.db2.gz DXADELDYRWEFFW-GFCCVEGCSA-N 1 2 276.409 2.863 10 0 CFAELO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cn[nH]c2C)C12CCCC2 ZINC000093611164 375275119 /nfs/dbraw/zinc/27/51/19/375275119.db2.gz VIMJYNVMAGAMSC-HUUCEWRRSA-N 1 2 277.412 2.888 10 0 CFAELO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cn[nH]c2C)C12CCCC2 ZINC000093611164 375275122 /nfs/dbraw/zinc/27/51/22/375275122.db2.gz VIMJYNVMAGAMSC-HUUCEWRRSA-N 1 2 277.412 2.888 10 0 CFAELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000101564270 375641715 /nfs/dbraw/zinc/64/17/15/375641715.db2.gz IRKDTWBFGCDVLY-ZDUSSCGKSA-N 1 2 296.361 2.846 10 0 CFAELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000101564270 375641722 /nfs/dbraw/zinc/64/17/22/375641722.db2.gz IRKDTWBFGCDVLY-ZDUSSCGKSA-N 1 2 296.361 2.846 10 0 CFAELO Cc1cc(CNc2cc(N3CCC[C@H](C)C3)nc[nH+]2)on1 ZINC000112076731 375883629 /nfs/dbraw/zinc/88/36/29/375883629.db2.gz FHPWQWCQRBKZMA-NSHDSACASA-N 1 2 287.367 2.621 10 0 CFAELO Cc1cc(CNc2cc(N3CCC[C@H](C)C3)[nH+]cn2)on1 ZINC000112076731 375883634 /nfs/dbraw/zinc/88/36/34/375883634.db2.gz FHPWQWCQRBKZMA-NSHDSACASA-N 1 2 287.367 2.621 10 0 CFAELO O=C(C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1ccccc1 ZINC000114203209 376053394 /nfs/dbraw/zinc/05/33/94/376053394.db2.gz HGEFHKOPPTYVMU-HNNXBMFYSA-N 1 2 284.363 2.575 10 0 CFAELO O=C(C[N@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1ccccc1 ZINC000114203209 376053398 /nfs/dbraw/zinc/05/33/98/376053398.db2.gz HGEFHKOPPTYVMU-HNNXBMFYSA-N 1 2 284.363 2.575 10 0 CFAELO c1coc(-c2noc(C[N@@H+]3CCCC[C@@H]3c3cn[nH]c3)n2)c1 ZINC000114484608 376069454 /nfs/dbraw/zinc/06/94/54/376069454.db2.gz OFJOXHWXUUQMAW-GFCCVEGCSA-N 1 2 299.334 2.780 10 0 CFAELO c1coc(-c2noc(C[N@H+]3CCCC[C@@H]3c3cn[nH]c3)n2)c1 ZINC000114484608 376069462 /nfs/dbraw/zinc/06/94/62/376069462.db2.gz OFJOXHWXUUQMAW-GFCCVEGCSA-N 1 2 299.334 2.780 10 0 CFAELO O=C(c1ccc2c(n1)CCCC2)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329383172 296239105 /nfs/dbraw/zinc/23/91/05/296239105.db2.gz RAHCPDXRVAREJI-HNNXBMFYSA-N 1 2 296.374 2.661 10 0 CFAELO Cc1cc(N2C[C@@H](CO)CC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000119379154 376404449 /nfs/dbraw/zinc/40/44/49/376404449.db2.gz RAMVJZHMAPMZRK-STQMWFEESA-N 1 2 263.385 2.506 10 0 CFAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3csc(C)n3)C2)c1 ZINC000120736308 376679672 /nfs/dbraw/zinc/67/96/72/376679672.db2.gz FBNZMNVNCRQHAB-CQSZACIVSA-N 1 2 276.409 2.794 10 0 CFAELO Cc1cnn([C@@H]2CCC[N@H+](Cc3csc(C)n3)C2)c1 ZINC000120736308 376679676 /nfs/dbraw/zinc/67/96/76/376679676.db2.gz FBNZMNVNCRQHAB-CQSZACIVSA-N 1 2 276.409 2.794 10 0 CFAELO Cc1c[nH+]ccc1NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000121685560 376883843 /nfs/dbraw/zinc/88/38/43/376883843.db2.gz QTSCVFRDLHTKPL-UHFFFAOYSA-N 1 2 299.378 2.531 10 0 CFAELO Fc1cccc(OCC[N@@H+]2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000121785204 376905129 /nfs/dbraw/zinc/90/51/29/376905129.db2.gz AFXYLXCWSBIWPP-CQSZACIVSA-N 1 2 290.342 2.550 10 0 CFAELO Fc1cccc(OCC[N@H+]2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000121785204 376905135 /nfs/dbraw/zinc/90/51/35/376905135.db2.gz AFXYLXCWSBIWPP-CQSZACIVSA-N 1 2 290.342 2.550 10 0 CFAELO Cc1nnc(C[NH2+][C@H](C)c2ccc(Cl)s2)[nH]1 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10 0 CFAELO c1cnn(-c2cccc(N[C@H]3CCn4cc[nH+]c43)c2)c1 ZINC000345348435 162232317 /nfs/dbraw/zinc/23/23/17/162232317.db2.gz MBECWISOFGEAEP-AWEZNQCLSA-N 1 2 265.320 2.626 10 0 CFAELO COc1ccc(Cc2[nH][nH+]c(C)c3c(C)nnc2-3)cc1OC ZINC000005385922 170093591 /nfs/dbraw/zinc/09/35/91/170093591.db2.gz BTPKICQEFQUHSK-UHFFFAOYSA-N 1 2 298.346 2.578 10 0 CFAELO COc1ccc(Cc2[nH+][nH]c(C)c3c(C)nnc2-3)cc1OC ZINC000005385922 170093593 /nfs/dbraw/zinc/09/35/93/170093593.db2.gz BTPKICQEFQUHSK-UHFFFAOYSA-N 1 2 298.346 2.578 10 0 CFAELO O=C(Nc1cccc(Cl)c1Cl)[C@H]1CSC[NH2+]1 ZINC000020246458 171100583 /nfs/dbraw/zinc/10/05/83/171100583.db2.gz ROMKUUBSZJKOAT-MRVPVSSYSA-N 1 2 277.176 2.594 10 0 CFAELO C[C@H](C(=O)Nc1c(N)cc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000022222588 171378911 /nfs/dbraw/zinc/37/89/11/171378911.db2.gz BRRHPVULCAZYSP-SSDOTTSWSA-N 1 2 299.161 2.972 10 0 CFAELO O=c1nc(C[NH2+][C@@H]2CCc3ccccc32)[nH]c2ccsc21 ZINC000035180669 172034479 /nfs/dbraw/zinc/03/44/79/172034479.db2.gz DURNCIFCQRSDRV-GFCCVEGCSA-N 1 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2.604 10 0 CFAELO CCC[NH2+][C@](C)(CCc1ccccc1)C(=O)OCC ZINC000037513590 173244633 /nfs/dbraw/zinc/24/46/33/173244633.db2.gz HSXUBJPUFQZZFA-MRXNPFEDSA-N 1 2 263.381 2.941 10 0 CFAELO CN(C)c1ccc([NH2+]C[C@H]2CCOC2)cc1Cl ZINC000037781164 173711546 /nfs/dbraw/zinc/71/15/46/173711546.db2.gz CNLTWLWAURZULF-SNVBAGLBSA-N 1 2 254.761 2.854 10 0 CFAELO CCOC(=O)[C@](C)([NH2+]CC1CC1)c1ccc(F)cc1 ZINC000037968003 173914669 /nfs/dbraw/zinc/91/46/69/173914669.db2.gz KEWRZVSDTYRUBU-OAHLLOKOSA-N 1 2 265.328 2.604 10 0 CFAELO CC1(C)CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC(C)(C)C1 ZINC000662657602 414588940 /nfs/dbraw/zinc/58/89/40/414588940.db2.gz OWHVZBDNSPOAAI-LLVKDONJSA-N 1 2 288.382 2.658 10 0 CFAELO CCOC(=O)[C@](C)([NH2+][C@@H](C)CC)c1ccc(F)cc1 ZINC000038067377 174079140 /nfs/dbraw/zinc/07/91/40/174079140.db2.gz RMMYLGYKHUPHTA-XHDPSFHLSA-N 1 2 267.344 2.992 10 0 CFAELO CCOC(=O)[C@]1([NH2+][C@H](C)CC)CCc2ccccc21 ZINC000038067728 174079900 /nfs/dbraw/zinc/07/99/00/174079900.db2.gz RXZYGOAJKGWZJJ-WBMJQRKESA-N 1 2 261.365 2.779 10 0 CFAELO O=C(NCCc1c[nH+]c[nH]1)c1ccc2ccccc2c1 ZINC000039001027 174161352 /nfs/dbraw/zinc/16/13/52/174161352.db2.gz IQWIZEVKGLXRQB-UHFFFAOYSA-N 1 2 265.316 2.535 10 0 CFAELO O=C(NCCc1c[nH]c[nH+]1)c1ccc2ccccc2c1 ZINC000039001027 174161353 /nfs/dbraw/zinc/16/13/53/174161353.db2.gz IQWIZEVKGLXRQB-UHFFFAOYSA-N 1 2 265.316 2.535 10 0 CFAELO CCC(=O)NCCCCCc1[nH+]c2ccccc2n1C ZINC000040211061 174203799 /nfs/dbraw/zinc/20/37/99/174203799.db2.gz TWWGXRUPOFZLIQ-UHFFFAOYSA-N 1 2 273.380 2.812 10 0 CFAELO Cc1ccc(-n2cc[nH+]c2-c2ccc(N)cc2)nc1 ZINC000040517012 174307409 /nfs/dbraw/zinc/30/74/09/174307409.db2.gz RFMYRIFWZKOFMG-UHFFFAOYSA-N 1 2 250.305 2.825 10 0 CFAELO CCc1ccc(-c2[nH]c([C@H]3C[C@@H](OC)C[NH2+]3)nc2C)cc1 ZINC000040637786 174361876 /nfs/dbraw/zinc/36/18/76/174361876.db2.gz JTHRHNWBDBNQOY-HUUCEWRRSA-N 1 2 285.391 2.997 10 0 CFAELO CNc1nc[nH+]c(Nc2cccc(Cl)c2C)c1N ZINC000040701485 174379014 /nfs/dbraw/zinc/37/90/14/174379014.db2.gz DMENNAGJHBNFJC-UHFFFAOYSA-N 1 2 263.732 2.806 10 0 CFAELO CNc1[nH+]cnc(Nc2cccc(Cl)c2C)c1N ZINC000040701485 174379016 /nfs/dbraw/zinc/37/90/16/174379016.db2.gz DMENNAGJHBNFJC-UHFFFAOYSA-N 1 2 263.732 2.806 10 0 CFAELO CCNc1nc[nH+]c(Nc2ccc(C)cc2C)c1N ZINC000040707294 174379490 /nfs/dbraw/zinc/37/94/90/174379490.db2.gz AEQONLGARZBGME-UHFFFAOYSA-N 1 2 257.341 2.851 10 0 CFAELO CCNc1[nH+]cnc(Nc2ccc(C)cc2C)c1N ZINC000040707294 174379491 /nfs/dbraw/zinc/37/94/91/174379491.db2.gz AEQONLGARZBGME-UHFFFAOYSA-N 1 2 257.341 2.851 10 0 CFAELO CC(=O)c1cccc(Nc2nc[nH+]c(NC(C)C)c2N)c1 ZINC000040705161 174379601 /nfs/dbraw/zinc/37/96/01/174379601.db2.gz GIYUOJDUKVNANW-UHFFFAOYSA-N 1 2 285.351 2.825 10 0 CFAELO CC(=O)c1cccc(Nc2[nH+]cnc(NC(C)C)c2N)c1 ZINC000040705161 174379602 /nfs/dbraw/zinc/37/96/02/174379602.db2.gz GIYUOJDUKVNANW-UHFFFAOYSA-N 1 2 285.351 2.825 10 0 CFAELO CCN(CC)c1[nH+]cnc(Nc2ccc(F)cc2F)c1N ZINC000040723342 174385978 /nfs/dbraw/zinc/38/59/78/174385978.db2.gz OZEDTDHXVRSOGW-UHFFFAOYSA-N 1 2 293.321 2.927 10 0 CFAELO Cc1cccc(Nc2[nH+]cnc(N3CCCC3)c2N)c1 ZINC000040724379 174386532 /nfs/dbraw/zinc/38/65/32/174386532.db2.gz KVQDMJMYQMSGDW-UHFFFAOYSA-N 1 2 269.352 2.711 10 0 CFAELO Nc1c(NC2CCCCCC2)nc[nH+]c1N1CCCC1 ZINC000040724558 174386708 /nfs/dbraw/zinc/38/67/08/174386708.db2.gz ITXAYPFPHCVBFH-UHFFFAOYSA-N 1 2 275.400 2.794 10 0 CFAELO Nc1c(Nc2ccc(F)cc2)[nH+]cnc1N1CCCC1 ZINC000040724393 174386833 /nfs/dbraw/zinc/38/68/33/174386833.db2.gz NWVQOPYSKWMAIJ-UHFFFAOYSA-N 1 2 273.315 2.542 10 0 CFAELO Nc1c(Nc2cccnc2)nc[nH+]c1N1CCCCCC1 ZINC000040725463 174387097 /nfs/dbraw/zinc/38/70/97/174387097.db2.gz SDERNPDGPYAMNN-UHFFFAOYSA-N 1 2 284.367 2.578 10 0 CFAELO CCN(CC)c1[nH+]cnc2c1cnn2-c1ccccc1F ZINC000041476751 174558956 /nfs/dbraw/zinc/55/89/56/174558956.db2.gz LAQIYQRKMOFRIE-UHFFFAOYSA-N 1 2 285.326 2.801 10 0 CFAELO CCCCN(CC)c1[nH+]c(C)ccc1C(N)=S ZINC000043396389 175035914 /nfs/dbraw/zinc/03/59/14/175035914.db2.gz DNCYHSQDQOGVKY-UHFFFAOYSA-N 1 2 251.399 2.651 10 0 CFAELO COc1ccc(Nc2[nH+]c(C)ccc2C(N)=S)cc1 ZINC000043396111 175036335 /nfs/dbraw/zinc/03/63/35/175036335.db2.gz SKVZBTAZDGCHTE-UHFFFAOYSA-N 1 2 273.361 2.776 10 0 CFAELO CC[C@H](C)N(CC)c1[nH+]c(C)ccc1C(N)=S ZINC000043396624 175036408 /nfs/dbraw/zinc/03/64/08/175036408.db2.gz RMJQKRJMFGLRKW-JTQLQIEISA-N 1 2 251.399 2.649 10 0 CFAELO Cc1ccc(C(N)=S)c(N[C@@H](C)c2ccccn2)[nH+]1 ZINC000043396656 175036452 /nfs/dbraw/zinc/03/64/52/175036452.db2.gz ULXZEBKSSDCKTF-JTQLQIEISA-N 1 2 272.377 2.592 10 0 CFAELO c1ccc2c(c1)CC[NH2+][C@H]2c1nnc(C2CCCC2)[nH]1 ZINC000043594618 175075284 /nfs/dbraw/zinc/07/52/84/175075284.db2.gz VZYCFUXXOLVJNP-CQSZACIVSA-N 1 2 268.364 2.697 10 0 CFAELO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(N)cc1Br ZINC000043597200 175077278 /nfs/dbraw/zinc/07/72/78/175077278.db2.gz CUXPOOYZAPRBNU-VIFPVBQESA-N 1 2 295.184 2.728 10 0 CFAELO Cc1ccc([C@H]([NH3+])c2ccc(Br)o2)o1 ZINC000043609859 175078779 /nfs/dbraw/zinc/07/87/79/175078779.db2.gz XFVUAIHMJDNDJI-JTQLQIEISA-N 1 2 256.099 2.992 10 0 CFAELO CCN(CC)c1nc(N)cc(-c2ccccc2OC)[nH+]1 ZINC000044263279 175157266 /nfs/dbraw/zinc/15/72/66/175157266.db2.gz GKZXOVNSOBIGHE-UHFFFAOYSA-N 1 2 272.352 2.581 10 0 CFAELO Cc1ccc(-c2cc(N)nc(N3CCCC3)[nH+]2)cc1 ZINC000044263381 175157504 /nfs/dbraw/zinc/15/75/04/175157504.db2.gz QYCWVYHWCSMGEB-UHFFFAOYSA-N 1 2 254.337 2.634 10 0 CFAELO [NH3+]c1ccc2c(c1)CCN2CCOc1ccccc1 ZINC000044421531 175174334 /nfs/dbraw/zinc/17/43/34/175174334.db2.gz XMCLXXPXMUKLHM-UHFFFAOYSA-N 1 2 254.333 2.710 10 0 CFAELO C[C@H](CCc1ccccc1)[NH2+]CC(=O)OC(C)(C)C ZINC000044482658 175180064 /nfs/dbraw/zinc/18/00/64/175180064.db2.gz YUSDVHXLFFROHD-CYBMUJFWSA-N 1 2 263.381 2.939 10 0 CFAELO Cc1c(C)n(CC[C@H]2CCCO2)c2nc(C)[nH+]c(N)c12 ZINC000044510609 175187525 /nfs/dbraw/zinc/18/75/25/175187525.db2.gz REEKUMOLOLSFOI-GFCCVEGCSA-N 1 2 274.368 2.508 10 0 CFAELO Cc1cc(CN[C@H](c2cccs2)c2[nH+]ccn2C)on1 ZINC000044986728 175284622 /nfs/dbraw/zinc/28/46/22/175284622.db2.gz IKLGMDXAFVAUJJ-CYBMUJFWSA-N 1 2 288.376 2.657 10 0 CFAELO Cc1nn(C)c(C)c1[C@H](C)Nc1ccc[nH+]c1N(C)C ZINC000045170596 175320416 /nfs/dbraw/zinc/32/04/16/175320416.db2.gz IRNPWFKPZCDTIC-JTQLQIEISA-N 1 2 273.384 2.671 10 0 CFAELO CCOC(=O)[C@@](C)(CN(CC)c1ccccc1)[NH2+]C(C)C ZINC000045232092 175335428 /nfs/dbraw/zinc/33/54/28/175335428.db2.gz LHVRWVKSZDMQMV-QGZVFWFLSA-N 1 2 292.423 2.833 10 0 CFAELO c1c2[nH]c([C@H]3CCSC3)[nH+]c2cc2c1OCCCO2 ZINC000070437143 175931620 /nfs/dbraw/zinc/93/16/20/175931620.db2.gz NFIIMCXVQGHOLQ-VIFPVBQESA-N 1 2 276.361 2.945 10 0 CFAELO CCC(=O)Nc1cccc(N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000070443600 175935451 /nfs/dbraw/zinc/93/54/51/175935451.db2.gz QWMZFXGOLBSIMX-NSHDSACASA-N 1 2 272.352 2.942 10 0 CFAELO Cc1cc[nH+]cc1N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000071413320 176158510 /nfs/dbraw/zinc/15/85/10/176158510.db2.gz FYEAEDWZWXDCIJ-GFCCVEGCSA-N 1 2 290.388 2.967 10 0 CFAELO CCc1ccc([C@H](C)[NH2+][C@@H](C(=O)OC)C2CC2)cc1 ZINC000227767415 270258247 /nfs/dbraw/zinc/25/82/47/270258247.db2.gz WQCMQQIOASJCAD-XHDPSFHLSA-N 1 2 261.365 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ZINC000195104885 382762152 /nfs/dbraw/zinc/76/21/52/382762152.db2.gz FRXXQNORKWQMJC-INIZCTEOSA-N 1 2 297.406 2.906 10 0 CFAELO Cn1cc[nH+]c1CN1CCCC[C@@H]1c1nccs1 ZINC000195515539 382768844 /nfs/dbraw/zinc/76/88/44/382768844.db2.gz SJFNGRMXAFFHON-LLVKDONJSA-N 1 2 262.382 2.604 10 0 CFAELO Brc1cnccc1[C@H]1[NH2+]CCCS1 ZINC000575452997 382772329 /nfs/dbraw/zinc/77/23/29/382772329.db2.gz AHZLWTHIZSHVRO-VIFPVBQESA-N 1 2 259.172 2.569 10 0 CFAELO COCc1ccc(C[NH2+][C@@H](C)c2ncc(C)o2)o1 ZINC000337255944 382787279 /nfs/dbraw/zinc/78/72/79/382787279.db2.gz NDSHZYVGVVSECR-JTQLQIEISA-N 1 2 250.298 2.573 10 0 CFAELO CCc1cnc([C@H](C)Nc2nc[nH+]c(N)c2Cl)s1 ZINC000234182360 382873250 /nfs/dbraw/zinc/87/32/50/382873250.db2.gz IRIRCMHZQMOHEZ-LURJTMIESA-N 1 2 283.788 2.904 10 0 CFAELO CCc1cnc([C@H](C)Nc2[nH+]cnc(N)c2Cl)s1 ZINC000234182360 382873252 /nfs/dbraw/zinc/87/32/52/382873252.db2.gz IRIRCMHZQMOHEZ-LURJTMIESA-N 1 2 283.788 2.904 10 0 CFAELO CC(C)n1nnnc1C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 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ZINC000192779766 543086174 /nfs/dbraw/zinc/08/61/74/543086174.db2.gz IDJGUOSGKMRXDS-MNOVXSKESA-N 1 2 261.325 2.804 10 0 CFAELO Cc1ccc2c(c1)[C@H](NC(=O)CCc1c[nH+]cn1C)[C@@H](C)C2 ZINC000193783122 543091789 /nfs/dbraw/zinc/09/17/89/543091789.db2.gz RCIDUUJONDOYAD-SCLBCKFNSA-N 1 2 297.402 2.711 10 0 CFAELO COc1cccc2c1cc[nH+]c2NC[C@@H]1CCC[C@@H]1O ZINC000235034039 161539501 /nfs/dbraw/zinc/53/95/01/161539501.db2.gz OUEWTHHWQPJICN-FZMZJTMJSA-N 1 2 272.348 2.816 10 0 CFAELO C[C@H]1CCC[N@H+](CNC(=O)c2cc3ccccc3o2)C1 ZINC000006008016 170167517 /nfs/dbraw/zinc/16/75/17/170167517.db2.gz PEOUGOLUAFNHEE-LBPRGKRZSA-N 1 2 272.348 2.852 10 0 CFAELO C[C@H]1CCC[N@@H+](CNC(=O)c2cc3ccccc3o2)C1 ZINC000006008016 170167520 /nfs/dbraw/zinc/16/75/20/170167520.db2.gz PEOUGOLUAFNHEE-LBPRGKRZSA-N 1 2 272.348 2.852 10 0 CFAELO O=c1[nH]c2cccc3c2n1C[C@@H](c1ccccc1)[NH2+]C3 ZINC000006581942 170215682 /nfs/dbraw/zinc/21/56/82/170215682.db2.gz UHTVNMQZJAMHQL-AWEZNQCLSA-N 1 2 265.316 2.586 10 0 CFAELO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc2ccccc2n1 ZINC000007243876 170273555 /nfs/dbraw/zinc/27/35/55/170273555.db2.gz AQPCYJSCSTXCLD-UHFFFAOYSA-N 1 2 285.391 2.581 10 0 CFAELO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc2ccccc2n1 ZINC000007243876 170273556 /nfs/dbraw/zinc/27/35/56/170273556.db2.gz AQPCYJSCSTXCLD-UHFFFAOYSA-N 1 2 285.391 2.581 10 0 CFAELO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2nnc3ccccn32)o1 ZINC000020185362 171049028 /nfs/dbraw/zinc/04/90/28/171049028.db2.gz NAXZORTVXWHOFN-AAEUAGOBSA-N 1 2 282.347 2.736 10 0 CFAELO Fc1ccc(OCCn2cc[nH+]c2)c(Br)c1 ZINC000020253937 171106537 /nfs/dbraw/zinc/10/65/37/171106537.db2.gz UGATYPKBVYNUHF-UHFFFAOYSA-N 1 2 285.116 2.864 10 0 CFAELO Nc1cc(Cl)c(NC(=O)C[NH+]2CCCC2)c(Cl)c1 ZINC000022212512 171373762 /nfs/dbraw/zinc/37/37/62/171373762.db2.gz UPPDTUHEPFIXOI-UHFFFAOYSA-N 1 2 288.178 2.610 10 0 CFAELO CCCc1nccnc1NCCc1ccc(C)c[nH+]1 ZINC000663994872 413498941 /nfs/dbraw/zinc/49/89/41/413498941.db2.gz WBXYXOMOLJYGMZ-UHFFFAOYSA-N 1 2 256.353 2.787 10 0 CFAELO COC(=O)[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1)C(C)C ZINC000035346486 172138441 /nfs/dbraw/zinc/13/84/41/172138441.db2.gz JOQZDFIXKVALFN-FZMZJTMJSA-N 1 2 265.353 2.543 10 0 CFAELO COc1ccc(-c2noc([C@@H]([NH3+])c3ccccc3)n2)cc1 ZINC000035660429 172337101 /nfs/dbraw/zinc/33/71/01/172337101.db2.gz JGYOLVRCSXNXCG-AWEZNQCLSA-N 1 2 281.315 2.793 10 0 CFAELO COc1ccc(OC)c(CSc2ccc(N)[nH+]c2)c1 ZINC000037192284 173020985 /nfs/dbraw/zinc/02/09/85/173020985.db2.gz OVXQWMVSDHMVOZ-UHFFFAOYSA-N 1 2 276.361 2.973 10 0 CFAELO Nc1ccc(SCc2nc3ccccc3[nH]2)c[nH+]1 ZINC000037192253 173021515 /nfs/dbraw/zinc/02/15/15/173021515.db2.gz YLPZJSQJTZNWLN-UHFFFAOYSA-N 1 2 256.334 2.832 10 0 CFAELO COc1c(C)c[nH+]c(CSc2ccc(N)nc2)c1C ZINC000037192605 173022113 /nfs/dbraw/zinc/02/21/13/173022113.db2.gz PFBIBIRQAVVCRN-UHFFFAOYSA-N 1 2 275.377 2.977 10 0 CFAELO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccccc21)c1ccco1 ZINC000037260240 173070251 /nfs/dbraw/zinc/07/02/51/173070251.db2.gz FLMVVVZGLZKXLV-YPMHNXCESA-N 1 2 291.372 2.849 10 0 CFAELO COC1CC[NH+]([C@@H](C)C(=O)c2ccc(F)cc2)CC1 ZINC000037337257 173138377 /nfs/dbraw/zinc/13/83/77/173138377.db2.gz RQOCLRUHYPFESK-NSHDSACASA-N 1 2 265.328 2.508 10 0 CFAELO CCOC(=O)[C@](C)(CCc1ccccc1)[NH2+]C1CC1 ZINC000037514352 173246241 /nfs/dbraw/zinc/24/62/41/173246241.db2.gz ZDFQJELHHYAKCX-INIZCTEOSA-N 1 2 261.365 2.693 10 0 CFAELO CCC[NH2+][C@H](c1ncccn1)c1ccccc1OC ZINC000037536380 173255298 /nfs/dbraw/zinc/25/52/98/173255298.db2.gz QHZJJYUZTCOPOS-AWEZNQCLSA-N 1 2 257.337 2.574 10 0 CFAELO CCOC(=O)[C@](CC)([NH2+]CC1CC1)c1ccc(OC)cc1 ZINC000037968054 173914648 /nfs/dbraw/zinc/91/46/48/173914648.db2.gz KSDYLEUJGLYCTG-QGZVFWFLSA-N 1 2 291.391 2.863 10 0 CFAELO CCc1oc2ccccc2c1C[NH2+]Cc1nc(C)no1 ZINC000038034182 174032349 /nfs/dbraw/zinc/03/23/49/174032349.db2.gz FIBNTHQJHBNIOB-UHFFFAOYSA-N 1 2 271.320 2.976 10 0 CFAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)NC(C)(C)C ZINC000040295512 174224032 /nfs/dbraw/zinc/22/40/32/174224032.db2.gz QPTPPZWSRXNZRZ-UHFFFAOYSA-N 1 2 273.380 2.876 10 0 CFAELO [NH3+]C1(c2nn[nH]n2)CCCCCCCCCCC1 ZINC000040397173 174253165 /nfs/dbraw/zinc/25/31/65/174253165.db2.gz LJUHQIFMIIDBPT-UHFFFAOYSA-N 1 2 251.378 2.658 10 0 CFAELO CO[C@@H]1C[NH2+][C@@H](c2nc(C)c(-c3ccc(C)cc3)[nH]2)C1 ZINC000040637664 174362020 /nfs/dbraw/zinc/36/20/20/174362020.db2.gz HBBWMWVSSVVQLU-UONOGXRCSA-N 1 2 271.364 2.743 10 0 CFAELO Cc1cc(Cl)ccc1Nc1[nH+]cnc(N(C)C)c1N ZINC000040703137 174379241 /nfs/dbraw/zinc/37/92/41/174379241.db2.gz IALDQCFITVYZFM-UHFFFAOYSA-N 1 2 277.759 2.830 10 0 CFAELO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1nc(=O)c2sccc2[nH]1 ZINC000042862487 174894008 /nfs/dbraw/zinc/89/40/08/174894008.db2.gz ZZXFQPQEPHSUCG-WDEREUQCSA-N 1 2 291.420 2.901 10 0 CFAELO C[C@H]1CCCC[C@H]1C[NH2+]Cc1nc(=O)c2sccc2[nH]1 ZINC000042862494 174894037 /nfs/dbraw/zinc/89/40/37/174894037.db2.gz ZZXFQPQEPHSUCG-QWRGUYRKSA-N 1 2 291.420 2.901 10 0 CFAELO C[C@H]1CCCC[C@H]1C[NH2+]c1ccc(N)c(C(N)=O)c1 ZINC000042871761 174897784 /nfs/dbraw/zinc/89/77/84/174897784.db2.gz FOGQKEZDRPWMHR-QWRGUYRKSA-N 1 2 261.369 2.606 10 0 CFAELO Cc1cc(C)c([C@H](C)[NH2+][C@H](C(=O)[O-])C(C)C)c(C)[nH+]1 ZINC000043431146 175042847 /nfs/dbraw/zinc/04/28/47/175042847.db2.gz LXFXDXXXGJQJAH-JSGCOSHPSA-N 1 2 264.369 2.767 10 0 CFAELO CC1CC[NH+](CCNCc2ccc(O)c(Cl)c2)CC1 ZINC000043488438 175056531 /nfs/dbraw/zinc/05/65/31/175056531.db2.gz HZUZDGOZSGVPQM-UHFFFAOYSA-N 1 2 282.815 2.867 10 0 CFAELO CCN[C@H](C[NH+]1CCCCC1)c1ccccc1OC ZINC000043814198 175111574 /nfs/dbraw/zinc/11/15/74/175111574.db2.gz RRVYLIQSXWFXCK-OAHLLOKOSA-N 1 2 262.397 2.832 10 0 CFAELO O[C@H]1c2ccccc2OC[C@@H]1[NH+]1CCCCCCC1 ZINC000044125263 175143949 /nfs/dbraw/zinc/14/39/49/175143949.db2.gz QMODATAVJAPUIG-HOCLYGCPSA-N 1 2 261.365 2.747 10 0 CFAELO CNc1nc(N)cc(-c2ccccc2Br)[nH+]1 ZINC000044263762 175157120 /nfs/dbraw/zinc/15/71/20/175157120.db2.gz QJEBQVKBMZOTFX-UHFFFAOYSA-N 1 2 279.141 2.530 10 0 CFAELO CCN(CC)c1nc(N)cc(-c2cccc(F)c2)[nH+]1 ZINC000044263326 175157163 /nfs/dbraw/zinc/15/71/63/175157163.db2.gz MSVMKCZWSSFCAR-UHFFFAOYSA-N 1 2 260.316 2.711 10 0 CFAELO CCn1cc([C@H](C)Nc2c(N(C)C)cc[nH+]c2OC)cn1 ZINC000044496335 175183411 /nfs/dbraw/zinc/18/34/11/175183411.db2.gz SQZDYEBOSKZUJJ-NSHDSACASA-N 1 2 289.383 2.546 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H]2CCC[C@@H](C)[C@@H]2C)c1N ZINC000044589678 175211907 /nfs/dbraw/zinc/21/19/07/175211907.db2.gz KLUHWENHVFEVCT-SCVCMEIPSA-N 1 2 279.384 2.948 10 0 CFAELO CCC[NH2+]CC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000044626947 175221266 /nfs/dbraw/zinc/22/12/66/175221266.db2.gz DTLQFKFPAPFVCF-MJBXVCDLSA-N 1 2 255.402 2.990 10 0 CFAELO Nc1c2ncsc2ccc1NCCCCn1cc[nH+]c1 ZINC000045105707 175307296 /nfs/dbraw/zinc/30/72/96/175307296.db2.gz LMQUOWRRWSORMI-UHFFFAOYSA-N 1 2 287.392 2.967 10 0 CFAELO CC[NH2+][C@](C)(CN(CC)c1ccccc1C)C(=O)OCC ZINC000045223005 175331728 /nfs/dbraw/zinc/33/17/28/175331728.db2.gz GZRMGOSSBDELIN-QGZVFWFLSA-N 1 2 292.423 2.753 10 0 CFAELO CCN(CC[C@@](C)([NH2+]C(C)C)C(=O)OC)c1ccccc1 ZINC000045232174 175335811 /nfs/dbraw/zinc/33/58/11/175335811.db2.gz WAPFGDGVFZLVCH-QGZVFWFLSA-N 1 2 292.423 2.833 10 0 CFAELO CC[NH2+][C@@](C)(CN(CC)c1cccc(C)c1)C(=O)OCC ZINC000045273171 175343971 /nfs/dbraw/zinc/34/39/71/175343971.db2.gz ZPYASIGYEKCKCV-KRWDZBQOSA-N 1 2 292.423 2.753 10 0 CFAELO CCC1CCC([N@H+](C)C[C@](C)([NH2+]C(C)C)C(=O)[O-])CC1 ZINC000045281080 175351880 /nfs/dbraw/zinc/35/18/80/175351880.db2.gz MMDLANGTQXKFFF-XUJLQICISA-N 1 2 284.444 2.728 10 0 CFAELO CCC1CCC([N@@H+](C)C[C@](C)([NH2+]C(C)C)C(=O)[O-])CC1 ZINC000045281080 175351881 /nfs/dbraw/zinc/35/18/81/175351881.db2.gz MMDLANGTQXKFFF-XUJLQICISA-N 1 2 284.444 2.728 10 0 CFAELO CC[N@H+](CCCC[C@@](C)([NH2+]C)C(=O)[O-])c1ccccc1 ZINC000045379866 175369487 /nfs/dbraw/zinc/36/94/87/175369487.db2.gz BAUKEVPGMFXTIG-MRXNPFEDSA-N 1 2 278.396 2.746 10 0 CFAELO CC[N@@H+](CCCC[C@@](C)([NH2+]C)C(=O)[O-])c1ccccc1 ZINC000045379866 175369488 /nfs/dbraw/zinc/36/94/88/175369488.db2.gz BAUKEVPGMFXTIG-MRXNPFEDSA-N 1 2 278.396 2.746 10 0 CFAELO COc1cc(CNc2c[nH+]ccc2C)cc(OC)c1O ZINC000071413588 176159376 /nfs/dbraw/zinc/15/93/76/176159376.db2.gz WROUQOHYWRMVJB-UHFFFAOYSA-N 1 2 274.320 2.725 10 0 CFAELO Cc1cc(C)nc([C@H]2CCCN2c2cc[nH+]c(C)n2)n1 ZINC000072364334 176379776 /nfs/dbraw/zinc/37/97/76/176379776.db2.gz FWXXSPSQWNFJFC-CYBMUJFWSA-N 1 2 269.352 2.533 10 0 CFAELO [NH3+]N1CCC[C@@H](c2ccccc2Br)C1 ZINC000077609744 177286285 /nfs/dbraw/zinc/28/62/85/177286285.db2.gz OFSDKWHPKBRKBZ-SECBINFHSA-N 1 2 255.159 2.502 10 0 CFAELO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CCS[C@@H](C)C1 ZINC000225769897 270256535 /nfs/dbraw/zinc/25/65/35/270256535.db2.gz LWSQODFYGLFWCL-JSGCOSHPSA-N 1 2 279.405 2.728 10 0 CFAELO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CCS[C@@H](C)C1 ZINC000225769897 270256537 /nfs/dbraw/zinc/25/65/37/270256537.db2.gz LWSQODFYGLFWCL-JSGCOSHPSA-N 1 2 279.405 2.728 10 0 CFAELO CC(C)n1nnnc1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000195084574 270249872 /nfs/dbraw/zinc/24/98/72/270249872.db2.gz QHNVPGTZJZGGMC-JTQLQIEISA-N 1 2 265.386 2.509 10 0 CFAELO CC(C)n1nnnc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000195084574 270249874 /nfs/dbraw/zinc/24/98/74/270249874.db2.gz QHNVPGTZJZGGMC-JTQLQIEISA-N 1 2 265.386 2.509 10 0 CFAELO CCn1c(C)nnc1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000195084525 270250231 /nfs/dbraw/zinc/25/02/31/270250231.db2.gz HYFFNIDAHWBKPF-JTQLQIEISA-N 1 2 264.398 2.861 10 0 CFAELO CCn1c(C)nnc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000195084525 270250232 /nfs/dbraw/zinc/25/02/32/270250232.db2.gz HYFFNIDAHWBKPF-JTQLQIEISA-N 1 2 264.398 2.861 10 0 CFAELO COC(=O)[C@H]([NH2+][C@H](C)[C@H]1CC1(C)C)c1ccccc1 ZINC000397874653 270320184 /nfs/dbraw/zinc/32/01/84/270320184.db2.gz YLHMKNCADDMTMW-MRVWCRGKSA-N 1 2 261.365 2.925 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(c1cccc(F)n1)C2 ZINC000108952537 278076304 /nfs/dbraw/zinc/07/63/04/278076304.db2.gz UMFHSUQJDYVTTK-UHFFFAOYSA-N 1 2 274.343 2.640 10 0 CFAELO CC(C)n1cc[nH+]c1CS(=O)(=O)c1ccc(F)cc1 ZINC000176941297 278136612 /nfs/dbraw/zinc/13/66/12/278136612.db2.gz HLBIKIXTJAAKDZ-UHFFFAOYSA-N 1 2 282.340 2.577 10 0 CFAELO C[C@H]([NH2+]Cc1nccc(N)n1)c1ccc(Cl)cc1 ZINC000135168015 280768039 /nfs/dbraw/zinc/76/80/39/280768039.db2.gz AQRDYTPYPOQWDT-VIFPVBQESA-N 1 2 262.744 2.563 10 0 CFAELO Cc1ccc([C@H](C)[NH2+]Cc2cc(=O)n3ccsc3n2)o1 ZINC000193639955 280916284 /nfs/dbraw/zinc/91/62/84/280916284.db2.gz VEOAXIPOXILPEK-JTQLQIEISA-N 1 2 289.360 2.508 10 0 CFAELO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000536624353 281524731 /nfs/dbraw/zinc/52/47/31/281524731.db2.gz JVYGWLMYIFYEON-WCBMZHEXSA-N 1 2 250.371 2.597 10 0 CFAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000181257654 293527031 /nfs/dbraw/zinc/52/70/31/293527031.db2.gz HPLDDDKZMNFWSI-BXKDBHETSA-N 1 2 291.786 2.821 10 0 CFAELO Cc1ccc(NC(=O)N2CCC(c3cc[nH]n3)CC2)c(C)[nH+]1 ZINC000176786633 323684363 /nfs/dbraw/zinc/68/43/63/323684363.db2.gz OGOLADNOKWVHJH-UHFFFAOYSA-N 1 2 299.378 2.833 10 0 CFAELO Brc1ccc(CN2CCn3cc[nH+]c3C2)cc1 ZINC000060394362 518210217 /nfs/dbraw/zinc/21/02/17/518210217.db2.gz DOYMNZXMRNFCPI-UHFFFAOYSA-N 1 2 292.180 2.661 10 0 CFAELO CCC[NH2+][C@H](CCSC(C)(C)C)C(=O)OCC ZINC000062597561 520078185 /nfs/dbraw/zinc/07/81/85/520078185.db2.gz HVRXGUQGFJJTOM-LLVKDONJSA-N 1 2 261.431 2.840 10 0 CFAELO CCCNc1snnc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000050814444 520204583 /nfs/dbraw/zinc/20/45/83/520204583.db2.gz DUYPHEAYMRBFQH-MNOVXSKESA-N 1 2 268.430 2.980 10 0 CFAELO CCCNc1snnc1C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000050814444 520204589 /nfs/dbraw/zinc/20/45/89/520204589.db2.gz DUYPHEAYMRBFQH-MNOVXSKESA-N 1 2 268.430 2.980 10 0 CFAELO CCCC[C@H](C)[NH2+]c1cc2c(cc1N)OCC(=O)N2 ZINC000050887136 521151626 /nfs/dbraw/zinc/15/16/26/521151626.db2.gz LFTJGXFUTNHELJ-VIFPVBQESA-N 1 2 263.341 2.590 10 0 CFAELO CCC1CC[NH+](CC(=O)Nc2cc(N)ccc2Cl)CC1 ZINC000048907159 519859181 /nfs/dbraw/zinc/85/91/81/519859181.db2.gz BJBYZRUXNZKQRA-UHFFFAOYSA-N 1 2 295.814 2.983 10 0 CFAELO CCC[NH2+][C@H](c1ccc(F)c(F)c1)c1ncccn1 ZINC000055237406 520088694 /nfs/dbraw/zinc/08/86/94/520088694.db2.gz BYQZAONFMOCIMA-CYBMUJFWSA-N 1 2 263.291 2.844 10 0 CFAELO CC[NH2+][C@@H](COc1ccc(C(C)(C)C)cc1)C(=O)OCC ZINC000045514549 520101762 /nfs/dbraw/zinc/10/17/62/520101762.db2.gz WUXWTPQLFBIJNG-HNNXBMFYSA-N 1 2 293.407 2.904 10 0 CFAELO CC[NH2+][C@@](C)(CCOC1CCCCCC1)C(=O)OC ZINC000045464942 520135458 /nfs/dbraw/zinc/13/54/58/520135458.db2.gz FDKSQYOUAGDCHR-HNNXBMFYSA-N 1 2 271.401 2.657 10 0 CFAELO CCCNc1cc(CCC)[nH+]c(C[C@@H]2CCCO2)n1 ZINC000050850301 520136029 /nfs/dbraw/zinc/13/60/29/520136029.db2.gz MTXGNFQNQMTNCE-ZDUSSCGKSA-N 1 2 263.385 2.973 10 0 CFAELO CC(C)n1nnnc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000195008775 520140927 /nfs/dbraw/zinc/14/09/27/520140927.db2.gz IAHGKBLYILDACG-UHFFFAOYSA-N 1 2 299.422 2.709 10 0 CFAELO CC[NH2+][C@H](CSc1ccccc1Cl)C(=O)OC ZINC000045558699 520200702 /nfs/dbraw/zinc/20/07/02/520200702.db2.gz LZMLWVLKNDHINR-SNVBAGLBSA-N 1 2 273.785 2.583 10 0 CFAELO CC[NH2+][C@](C)(CCCn1c(C)[nH+]c2ccccc21)C(=O)[O-] ZINC000045431414 520229458 /nfs/dbraw/zinc/22/94/58/520229458.db2.gz GQRXJBSHJJEAPP-MRXNPFEDSA-N 1 2 289.379 2.578 10 0 CFAELO CCNc1cc(C)[nH+]c(-c2ccc3c(c2)CCO3)n1 ZINC000050864655 520269029 /nfs/dbraw/zinc/26/90/29/520269029.db2.gz AGJTZQGNURWPKL-UHFFFAOYSA-N 1 2 255.321 2.819 10 0 CFAELO CCCCC[C@@H](C)CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173763749 520275628 /nfs/dbraw/zinc/27/56/28/520275628.db2.gz PIGFQUUYIPIXBU-CVEARBPZSA-N 1 2 296.455 2.526 10 0 CFAELO CCNc1ccc(COc2ccc3c(c2)OCO3)c[nH+]1 ZINC000050832626 520304277 /nfs/dbraw/zinc/30/42/77/520304277.db2.gz JVXRCIUHCXTZSC-UHFFFAOYSA-N 1 2 272.304 2.821 10 0 CFAELO CCCc1cc(N)nc(-c2ccc(O)c(OCC)c2)[nH+]1 ZINC000050866632 521366689 /nfs/dbraw/zinc/36/66/89/521366689.db2.gz ZPPCGSLHAKUDQB-UHFFFAOYSA-N 1 2 273.336 2.783 10 0 CFAELO CCC[N@H+](Cc1nnnn1C(C)C)Cc1ccccc1 ZINC000195016451 521695765 /nfs/dbraw/zinc/69/57/65/521695765.db2.gz HIMWTQHIIOJISO-UHFFFAOYSA-N 1 2 273.384 2.666 10 0 CFAELO CCC[N@@H+](Cc1nnnn1C(C)C)Cc1ccccc1 ZINC000195016451 521695770 /nfs/dbraw/zinc/69/57/70/521695770.db2.gz HIMWTQHIIOJISO-UHFFFAOYSA-N 1 2 273.384 2.666 10 0 CFAELO CC[C@@H](C)[NH2+][C@H](C(=O)OC)c1ccc(F)cc1C ZINC000050580279 522234767 /nfs/dbraw/zinc/23/47/67/522234767.db2.gz LPKBMKPZBCFGHN-MFKMUULPSA-N 1 2 253.317 2.736 10 0 CFAELO CCc1[nH+]c2cc(C(=O)[O-])ccc2n1[C@@H](C)CC[NH+](C)C ZINC000049559458 522483296 /nfs/dbraw/zinc/48/32/96/522483296.db2.gz MSOXOGMBUCNMJE-NSHDSACASA-N 1 2 289.379 2.810 10 0 CFAELO CNc1cc(C)[nH+]c(-c2cc(Cl)c3c(c2)OCCO3)n1 ZINC000050864519 522564671 /nfs/dbraw/zinc/56/46/71/522564671.db2.gz GGVQVVWNCRLKNY-UHFFFAOYSA-N 1 2 291.738 2.918 10 0 CFAELO CNc1ccc(COc2ccc(F)cc2F)c[nH+]1 ZINC000050830546 522612853 /nfs/dbraw/zinc/61/28/53/522612853.db2.gz KQTBWLZZUZSLBQ-UHFFFAOYSA-N 1 2 250.248 2.981 10 0 CFAELO CCc1nn(C)c(Cl)c1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245549474 522667960 /nfs/dbraw/zinc/66/79/60/522667960.db2.gz ZGELSMDEHNBBCI-KGLIPLIRSA-N 1 2 297.830 2.779 10 0 CFAELO CCc1nn(C)c(Cl)c1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245549474 522667965 /nfs/dbraw/zinc/66/79/65/522667965.db2.gz ZGELSMDEHNBBCI-KGLIPLIRSA-N 1 2 297.830 2.779 10 0 CFAELO CNc1nc(-c2ccc(OC)c(OC)c2)[nH+]c2c1CCC2 ZINC000050847616 522674179 /nfs/dbraw/zinc/67/41/79/522674179.db2.gz BKERAXRGRKCBPI-UHFFFAOYSA-N 1 2 285.347 2.691 10 0 CFAELO CNc1nc(C[NH+]2CCCCC2)nc2sccc21 ZINC000050792638 522680077 /nfs/dbraw/zinc/68/00/77/522680077.db2.gz WSVBUECOBBRHND-UHFFFAOYSA-N 1 2 262.382 2.719 10 0 CFAELO CNc1[nH+]cccc1COc1cc(F)cc(F)c1 ZINC000054934274 522708806 /nfs/dbraw/zinc/70/88/06/522708806.db2.gz XYPQSONLAUKBLA-UHFFFAOYSA-N 1 2 250.248 2.981 10 0 CFAELO COCc1cc(NN)[nH+]c(-c2c(C)cc(C)cc2C)n1 ZINC000051700656 522934173 /nfs/dbraw/zinc/93/41/73/522934173.db2.gz UVAWRSOJFTWCSD-UHFFFAOYSA-N 1 2 272.352 2.501 10 0 CFAELO CCc1cc(NC)nc(-c2ccc3c(c2)OCCO3)[nH+]1 ZINC000050865110 523819614 /nfs/dbraw/zinc/81/96/14/523819614.db2.gz MQKGZXMCNDSHDT-UHFFFAOYSA-N 1 2 271.320 2.519 10 0 CFAELO CC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195367700 523970669 /nfs/dbraw/zinc/97/06/69/523970669.db2.gz AUIGGJHHGHPFLC-NWDGAFQWSA-N 1 2 281.425 2.585 10 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C[C@H]([NH2+]Cc1nccn1C(F)F)c1cncc(F)c1 ZINC000162259482 525491104 /nfs/dbraw/zinc/49/11/04/525491104.db2.gz WDYYDZNHSKGRMR-QMMMGPOBSA-N 1 2 270.258 2.663 10 0 CFAELO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)OC(C)(C)C ZINC000084223284 525692388 /nfs/dbraw/zinc/69/23/88/525692388.db2.gz FBMAISOWGHRJDC-RISCZKNCSA-N 1 2 261.365 2.994 10 0 CFAELO Cc1cc[nH+]c(NC[C@H](O)C(C)(C)C)c1Br ZINC000309714750 525694316 /nfs/dbraw/zinc/69/43/16/525694316.db2.gz SHMCEFUNVAZDSC-VIFPVBQESA-N 1 2 287.201 2.971 10 0 CFAELO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)c1ccc[nH]1 ZINC000049538181 525736478 /nfs/dbraw/zinc/73/64/78/525736478.db2.gz OXGUMFFTQSOCPK-SNVBAGLBSA-N 1 2 260.362 2.878 10 0 CFAELO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)c1ccc[nH]1 ZINC000049538181 525736484 /nfs/dbraw/zinc/73/64/84/525736484.db2.gz OXGUMFFTQSOCPK-SNVBAGLBSA-N 1 2 260.362 2.878 10 0 CFAELO C[C@@]([NH3+])(c1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000052879174 525752078 /nfs/dbraw/zinc/75/20/78/525752078.db2.gz IGAWINQLJZLWKL-HNNXBMFYSA-N 1 2 255.296 2.924 10 0 CFAELO Cc1c(Cl)cccc1NC(=O)c1cccc(NN)[nH+]1 ZINC000051089716 525776682 /nfs/dbraw/zinc/77/66/82/525776682.db2.gz GMFQASCRZLKRDR-UHFFFAOYSA-N 1 2 276.727 2.581 10 0 CFAELO Cc1cc(=O)[nH]c(SCc2cc3ccccc3[nH+]c2N)n1 ZINC000050834263 526120128 /nfs/dbraw/zinc/12/01/28/526120128.db2.gz RQYWIRJANWZQIA-UHFFFAOYSA-N 1 2 298.371 2.501 10 0 CFAELO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246065486 526162246 /nfs/dbraw/zinc/16/22/46/526162246.db2.gz WXHGUNMAVPQULV-QWHCGFSZSA-N 1 2 288.420 2.766 10 0 CFAELO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCS[C@@H](C)C1 ZINC000246065486 526162255 /nfs/dbraw/zinc/16/22/55/526162255.db2.gz WXHGUNMAVPQULV-QWHCGFSZSA-N 1 2 288.420 2.766 10 0 CFAELO Cc1ccc(C(N)=S)c(N2CCC[C@H](C)[C@@H]2C)[nH+]1 ZINC000050566429 526254845 /nfs/dbraw/zinc/25/48/45/526254845.db2.gz YKKBPECHNKHJJW-ONGXEEELSA-N 1 2 263.410 2.649 10 0 CFAELO Cc1ccc(C(N)=S)c(N2Cc3ccccc3C2)[nH+]1 ZINC000050912579 526255053 /nfs/dbraw/zinc/25/50/53/526255053.db2.gz SWJFAHCQXHFFLK-UHFFFAOYSA-N 1 2 269.373 2.544 10 0 CFAELO Fc1ccc(Br)cc1C[NH2+]Cc1ccncn1 ZINC000054789776 526325234 /nfs/dbraw/zinc/32/52/34/526325234.db2.gz VNAIKBSYSYPHAT-UHFFFAOYSA-N 1 2 296.143 2.668 10 0 CFAELO NC(=S)c1cc(N2CC[C@H](c3ccccc3)C2)cc[nH+]1 ZINC000061813286 527115115 /nfs/dbraw/zinc/11/51/15/527115115.db2.gz GVAKIBILZXNRGI-ZDUSSCGKSA-N 1 2 283.400 2.710 10 0 CFAELO NC(=S)c1cc(Nc2ccc3c(c2)CCC3)cc[nH+]1 ZINC000061812047 527116875 /nfs/dbraw/zinc/11/68/75/527116875.db2.gz BPZVYFBXYJRVMY-UHFFFAOYSA-N 1 2 269.373 2.948 10 0 CFAELO Nc1cc(Cl)ccc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000050443241 527452023 /nfs/dbraw/zinc/45/20/23/527452023.db2.gz QWQPRCPWSKEPBI-UONOGXRCSA-N 1 2 266.772 2.676 10 0 CFAELO Nc1cc(Cl)ccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000050443241 527452026 /nfs/dbraw/zinc/45/20/26/527452026.db2.gz QWQPRCPWSKEPBI-UONOGXRCSA-N 1 2 266.772 2.676 10 0 CFAELO Nc1ccc2[nH]c(CN3Cc4ccccc4C3)[nH+]c2c1 ZINC000050909970 527509742 /nfs/dbraw/zinc/50/97/42/527509742.db2.gz JTGFRKNUDZFANR-UHFFFAOYSA-N 1 2 264.332 2.661 10 0 CFAELO Nc1nc(Cc2ccc(F)cc2)[nH+]c2c1CCCC2 ZINC000050846800 527552331 /nfs/dbraw/zinc/55/23/31/527552331.db2.gz RHULDFXBIADPBY-UHFFFAOYSA-N 1 2 257.312 2.668 10 0 CFAELO Nc1[nH+]cccc1COc1cccc2cccnc21 ZINC000052755266 527570103 /nfs/dbraw/zinc/57/01/03/527570103.db2.gz KNMYDXMJFJEVGY-UHFFFAOYSA-N 1 2 251.289 2.791 10 0 CFAELO OC[C@@H]1CCC[N@H+](Cc2nc3sccc3c(Cl)n2)C1 ZINC000050840023 527590846 /nfs/dbraw/zinc/59/08/46/527590846.db2.gz MYDHVCOBAKVDLI-SECBINFHSA-N 1 2 297.811 2.549 10 0 CFAELO OC[C@@H]1CCC[N@@H+](Cc2nc3sccc3c(Cl)n2)C1 ZINC000050840023 527590849 /nfs/dbraw/zinc/59/08/49/527590849.db2.gz MYDHVCOBAKVDLI-SECBINFHSA-N 1 2 297.811 2.549 10 0 CFAELO CSc1cnc([C@H]2[NH2+]CCc3occc32)s1 ZINC000712923910 567854957 /nfs/dbraw/zinc/85/49/57/567854957.db2.gz MVTLACXWZAOQQB-JTQLQIEISA-N 1 2 252.364 2.693 10 0 CFAELO Cc1cc[nH+]c(N[C@@H]2CCC[C@H](O)C2)c1Br ZINC000393751115 574332980 /nfs/dbraw/zinc/33/29/80/574332980.db2.gz RQFUUUPXBJEANB-ZJUUUORDSA-N 1 2 285.185 2.868 10 0 CFAELO C[C@H]([NH2+]c1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]1C ZINC000322114462 620231113 /nfs/dbraw/zinc/23/11/13/620231113.db2.gz BADPPCOSWDEUGV-DVOMOZLQSA-N 1 2 260.381 2.980 10 0 CFAELO C[C@H]([NH2+]c1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]1C ZINC000322114466 620231177 /nfs/dbraw/zinc/23/11/77/620231177.db2.gz BADPPCOSWDEUGV-WWGRRREGSA-N 1 2 260.381 2.980 10 0 CFAELO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)c1cn(C)nn1 ZINC000902841728 621189587 /nfs/dbraw/zinc/18/95/87/621189587.db2.gz RKTHLMQQFBWQAR-WCQYABFASA-N 1 2 286.379 2.768 10 0 CFAELO Cc1cnc([C@@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)o1 ZINC000230644330 623287823 /nfs/dbraw/zinc/28/78/23/623287823.db2.gz VDQPSVNBUZKQLB-BXKDBHETSA-N 1 2 282.290 2.645 10 0 CFAELO CCCCC[C@@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000119035942 637462374 /nfs/dbraw/zinc/46/23/74/637462374.db2.gz GSTRADGAMAIBMB-JKSUJKDBSA-N 1 2 298.471 2.676 10 0 CFAELO CCCCC[C@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000119035842 637462656 /nfs/dbraw/zinc/46/26/56/637462656.db2.gz GSTRADGAMAIBMB-HOTGVXAUSA-N 1 2 298.471 2.676 10 0 CFAELO c1csc(CC[N@@H+]2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000121792013 638894897 /nfs/dbraw/zinc/89/48/97/638894897.db2.gz GISOGUZQHOORSF-GFCCVEGCSA-N 1 2 262.382 2.636 10 0 CFAELO c1csc(CC[N@H+]2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000121792013 638894898 /nfs/dbraw/zinc/89/48/98/638894898.db2.gz GISOGUZQHOORSF-GFCCVEGCSA-N 1 2 262.382 2.636 10 0 CFAELO CC[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)C(=O)OC ZINC000192861992 529657973 /nfs/dbraw/zinc/65/79/73/529657973.db2.gz RZVMJPDSFHJSNL-UONOGXRCSA-N 1 2 265.328 2.744 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(F)cc1F)C2 ZINC000220598482 539361159 /nfs/dbraw/zinc/36/11/59/539361159.db2.gz VCGNLDCOVUBVDB-VIFPVBQESA-N 1 2 291.301 2.740 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(F)cc1F)CC2 ZINC000220598482 539361163 /nfs/dbraw/zinc/36/11/63/539361163.db2.gz VCGNLDCOVUBVDB-VIFPVBQESA-N 1 2 291.301 2.740 10 0 CFAELO C[C@H]1C[NH+](Cc2c[nH]nc2-c2ccccc2F)C[C@H](C)O1 ZINC000127074258 187280706 /nfs/dbraw/zinc/28/07/06/187280706.db2.gz OIUBKULUVSIUNL-RYUDHWBXSA-N 1 2 289.354 2.825 10 0 CFAELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000131491273 232207320 /nfs/dbraw/zinc/20/73/20/232207320.db2.gz DSEUFCPGDSKEOM-LLVKDONJSA-N 1 2 289.379 2.725 10 0 CFAELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000131491273 232207322 /nfs/dbraw/zinc/20/73/22/232207322.db2.gz DSEUFCPGDSKEOM-LLVKDONJSA-N 1 2 289.379 2.725 10 0 CFAELO C[C@@H](NC(=O)c1cccn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173928930 232284641 /nfs/dbraw/zinc/28/46/41/232284641.db2.gz AYEWNFFPRXHWRP-CYBMUJFWSA-N 1 2 294.358 2.702 10 0 CFAELO COc1ccc(C[NH2+]c2ccc(N)cc2OC)cc1 ZINC000142824315 347935530 /nfs/dbraw/zinc/93/55/30/347935530.db2.gz IUBADOODLPYSNA-UHFFFAOYSA-N 1 2 258.321 2.898 10 0 CFAELO CC(C)(C)OC(=O)N1CC=C(c2cccc(N)[nH+]2)CC1 ZINC000150173764 347956003 /nfs/dbraw/zinc/95/60/03/347956003.db2.gz XJEYWNFHYAKOIS-UHFFFAOYSA-N 1 2 275.352 2.688 10 0 CFAELO Cn1nccc1-c1cc(N)c2cc(Cl)ccc2[nH+]1 ZINC000725257414 539593746 /nfs/dbraw/zinc/59/37/46/539593746.db2.gz ORTQVMAUAUDCDX-UHFFFAOYSA-N 1 2 258.712 2.871 10 0 CFAELO COC(=O)[C@@H](CC(C)C)[NH2+]Cc1cn(C)c2ccccc12 ZINC000086806747 179339357 /nfs/dbraw/zinc/33/93/57/179339357.db2.gz OEIDPPYPYJVWAN-OAHLLOKOSA-N 1 2 288.391 2.856 10 0 CFAELO Cc1c(N)c[nH+]c(N[C@@H]2C[C@H]2C)c1Br ZINC000167021753 348044137 /nfs/dbraw/zinc/04/41/37/348044137.db2.gz ULHQJHHYFOGKDH-SVGQVSJJSA-N 1 2 256.147 2.555 10 0 CFAELO Cc1cc2[nH+]c3c(n2cc1Br)CCC3 ZINC000228024703 348193512 /nfs/dbraw/zinc/19/35/12/348193512.db2.gz LJSUMMVKQKPOJM-UHFFFAOYSA-N 1 2 251.127 2.894 10 0 CFAELO [NH3+][C@@H](c1cscn1)c1ccc(Br)o1 ZINC000307028930 348395318 /nfs/dbraw/zinc/39/53/18/348395318.db2.gz BRGIGORRNKJYAX-QMMMGPOBSA-N 1 2 259.128 2.547 10 0 CFAELO Fc1ccc(Br)c(OCc2[nH]cc[nH+]2)c1 ZINC000307169096 348396831 /nfs/dbraw/zinc/39/68/31/348396831.db2.gz XAFYARGQHDPRTL-UHFFFAOYSA-N 1 2 271.089 2.890 10 0 CFAELO c1ccc2c(c1)CN(c1cc(N[C@H]3CCCOC3)[nH+]cn1)C2 ZINC000328638582 348441978 /nfs/dbraw/zinc/44/19/78/348441978.db2.gz PFALGFOUDMOYMW-HNNXBMFYSA-N 1 2 296.374 2.588 10 0 CFAELO c1ccc2c(c1)CN(c1cc(N[C@H]3CCCOC3)nc[nH+]1)C2 ZINC000328638582 348441982 /nfs/dbraw/zinc/44/19/82/348441982.db2.gz PFALGFOUDMOYMW-HNNXBMFYSA-N 1 2 296.374 2.588 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1CCCCCC1)C2 ZINC000220584561 539753568 /nfs/dbraw/zinc/75/35/68/539753568.db2.gz VTEOQYWNFVHERK-LBPRGKRZSA-N 1 2 275.396 2.662 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1CCCCCC1)CC2 ZINC000220584561 539753574 /nfs/dbraw/zinc/75/35/74/539753574.db2.gz VTEOQYWNFVHERK-LBPRGKRZSA-N 1 2 275.396 2.662 10 0 CFAELO Cn1cc[nH+]c1[C@@H](NCc1cscn1)c1cccs1 ZINC000104449802 186005878 /nfs/dbraw/zinc/00/58/78/186005878.db2.gz PUFJSGVEFCTIAZ-LBPRGKRZSA-N 1 2 290.417 2.817 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1CCCCCC1)C2 ZINC000220584618 539753126 /nfs/dbraw/zinc/75/31/26/539753126.db2.gz VTEOQYWNFVHERK-GFCCVEGCSA-N 1 2 275.396 2.662 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC1CCCCCC1)CC2 ZINC000220584618 539753131 /nfs/dbraw/zinc/75/31/31/539753131.db2.gz VTEOQYWNFVHERK-GFCCVEGCSA-N 1 2 275.396 2.662 10 0 CFAELO Clc1ccnc(OC2C[NH+](Cc3ccccc3)C2)c1 ZINC000091361989 180141710 /nfs/dbraw/zinc/14/17/10/180141710.db2.gz LGMPVABNIWTERV-UHFFFAOYSA-N 1 2 274.751 2.998 10 0 CFAELO Clc1cccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000091439338 180156121 /nfs/dbraw/zinc/15/61/21/180156121.db2.gz DYXULGBYKQMLJU-QWHCGFSZSA-N 1 2 266.772 2.878 10 0 CFAELO Clc1cccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000091439338 180156122 /nfs/dbraw/zinc/15/61/22/180156122.db2.gz DYXULGBYKQMLJU-QWHCGFSZSA-N 1 2 266.772 2.878 10 0 CFAELO CC(C)[C@H](C)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000105076040 186040567 /nfs/dbraw/zinc/04/05/67/186040567.db2.gz JTUVJXSGKDCBLF-ZDUSSCGKSA-N 1 2 278.400 2.617 10 0 CFAELO Brc1ccc(C[NH2+]Cc2ncco2)cc1 ZINC000091692070 180228087 /nfs/dbraw/zinc/22/80/87/180228087.db2.gz OOYHQPUGFZBBDL-UHFFFAOYSA-N 1 2 267.126 2.727 10 0 CFAELO CCCCC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000105819362 186074072 /nfs/dbraw/zinc/07/40/72/186074072.db2.gz WXVPMESBAZBMIP-UHFFFAOYSA-N 1 2 295.452 2.676 10 0 CFAELO CCCCC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000105819362 186074074 /nfs/dbraw/zinc/07/40/74/186074074.db2.gz WXVPMESBAZBMIP-UHFFFAOYSA-N 1 2 295.452 2.676 10 0 CFAELO COCCN1CC[N@H+](CCc2ccccc2Cl)C[C@@H]1C ZINC000105834222 186076111 /nfs/dbraw/zinc/07/61/11/186076111.db2.gz GITNALYHESWSLJ-AWEZNQCLSA-N 1 2 296.842 2.535 10 0 CFAELO COCCN1CC[N@@H+](CCc2ccccc2Cl)C[C@@H]1C ZINC000105834222 186076113 /nfs/dbraw/zinc/07/61/13/186076113.db2.gz GITNALYHESWSLJ-AWEZNQCLSA-N 1 2 296.842 2.535 10 0 CFAELO CCCc1nc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cs1 ZINC000105922979 186090650 /nfs/dbraw/zinc/09/06/50/186090650.db2.gz LBQQONHNWQQWRG-CYBMUJFWSA-N 1 2 291.424 2.524 10 0 CFAELO CCCc1nc(C[N@H+]2CCC[C@@H](n3cncn3)C2)cs1 ZINC000105922979 186090652 /nfs/dbraw/zinc/09/06/52/186090652.db2.gz LBQQONHNWQQWRG-CYBMUJFWSA-N 1 2 291.424 2.524 10 0 CFAELO 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CC(C)(C)c1nccc(N2CCC[C@@H]2Cn2cc[nH+]c2)n1 ZINC000301531034 201051918 /nfs/dbraw/zinc/05/19/18/201051918.db2.gz HQBJQJUCIAKXQO-CYBMUJFWSA-N 1 2 285.395 2.640 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccc(CO)cc1)C2 ZINC000182763289 189334204 /nfs/dbraw/zinc/33/42/04/189334204.db2.gz GIMNFSPGFGPFDN-UHFFFAOYSA-N 1 2 299.418 2.594 10 0 CFAELO CC(C)c1nc2c(n1C)CC[N@H+](Cc1ccc(CO)cc1)C2 ZINC000182763289 189334205 /nfs/dbraw/zinc/33/42/05/189334205.db2.gz GIMNFSPGFGPFDN-UHFFFAOYSA-N 1 2 299.418 2.594 10 0 CFAELO CC(C)c1nc2c(n1C)CC[N@@H+](Cc1ccc(CO)cc1)C2 ZINC000182763289 189334206 /nfs/dbraw/zinc/33/42/06/189334206.db2.gz GIMNFSPGFGPFDN-UHFFFAOYSA-N 1 2 299.418 2.594 10 0 CFAELO CCN(CCO)c1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1 ZINC000301666630 201123331 /nfs/dbraw/zinc/12/33/31/201123331.db2.gz MJYVXXMIISVDMS-UHFFFAOYSA-N 1 2 279.428 2.890 10 0 CFAELO Cc1c[nH+]ccc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000183448920 189359059 /nfs/dbraw/zinc/35/90/59/189359059.db2.gz XQJAYHMBWDGJKZ-CQSZACIVSA-N 1 2 285.351 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288.347 2.808 10 0 CFAELO Cn1cc(C[N@@H+]2CCCC[C@H]2c2nccs2)cn1 ZINC000195373046 294233989 /nfs/dbraw/zinc/23/39/89/294233989.db2.gz CHYZZCREPMDLPF-LBPRGKRZSA-N 1 2 262.382 2.604 10 0 CFAELO Cn1cc(C[N@H+]2CCCC[C@H]2c2nccs2)cn1 ZINC000195373046 294233998 /nfs/dbraw/zinc/23/39/98/294233998.db2.gz CHYZZCREPMDLPF-LBPRGKRZSA-N 1 2 262.382 2.604 10 0 CFAELO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ncn(C)n2)s1 ZINC000275733441 193116105 /nfs/dbraw/zinc/11/61/05/193116105.db2.gz PLOAXFZLQNXIHC-NXEZZACHSA-N 1 2 264.398 2.851 10 0 CFAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC2(CCCCC2)CC1 ZINC000263107284 296093201 /nfs/dbraw/zinc/09/32/01/296093201.db2.gz ABGGECAVTLLMKH-GFCCVEGCSA-N 1 2 286.366 2.557 10 0 CFAELO Cc1cnc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)o1 ZINC000276039204 193196111 /nfs/dbraw/zinc/19/61/11/193196111.db2.gz RWNLBMIHLIALPP-CQSZACIVSA-N 1 2 286.379 2.922 10 0 CFAELO Nc1ccc(NC(=S)N[C@@H]2CC3CCC2CC3)c[nH+]1 ZINC000013600692 372036194 /nfs/dbraw/zinc/03/61/94/372036194.db2.gz 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205195587 /nfs/dbraw/zinc/19/55/87/205195587.db2.gz BKBRBECHBHUENW-MGPQQGTHSA-N 1 2 293.411 2.830 10 0 CFAELO C[C@@H](Nc1cc(N(C)C)nc[nH+]1)c1cc(F)cc(F)c1 ZINC000065493829 373879531 /nfs/dbraw/zinc/87/95/31/373879531.db2.gz DGQZRFPXGBPULX-SECBINFHSA-N 1 2 278.306 2.994 10 0 CFAELO C[C@@H](Nc1cc(N(C)C)[nH+]cn1)c1cc(F)cc(F)c1 ZINC000065493829 373879535 /nfs/dbraw/zinc/87/95/35/373879535.db2.gz DGQZRFPXGBPULX-SECBINFHSA-N 1 2 278.306 2.994 10 0 CFAELO COC(=O)[C@H]1CC[C@@H](c2ccccc2C(F)(F)F)C[NH2+]1 ZINC000079026528 374584506 /nfs/dbraw/zinc/58/45/06/374584506.db2.gz DXZSCIGVWVIXON-BXKDBHETSA-N 1 2 287.281 2.714 10 0 CFAELO O=C(CCCNc1cc(C(F)(F)F)cc[nH+]1)NC1CC1 ZINC000081747836 374714752 /nfs/dbraw/zinc/71/47/52/374714752.db2.gz HSFJFKJFCGILKV-UHFFFAOYSA-N 1 2 287.285 2.571 10 0 CFAELO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cn[nH]c2C)C12CCCC2 ZINC000093611165 375275291 /nfs/dbraw/zinc/27/52/91/375275291.db2.gz VIMJYNVMAGAMSC-CABCVRRESA-N 1 2 277.412 2.888 10 0 CFAELO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cn[nH]c2C)C12CCCC2 ZINC000093611165 375275294 /nfs/dbraw/zinc/27/52/94/375275294.db2.gz VIMJYNVMAGAMSC-CABCVRRESA-N 1 2 277.412 2.888 10 0 CFAELO C[C@@H]1CCCN(c2cc(NCc3ccco3)[nH+]cn2)C1 ZINC000110110618 375825414 /nfs/dbraw/zinc/82/54/14/375825414.db2.gz VIJNZFOHOJVOOC-GFCCVEGCSA-N 1 2 272.352 2.918 10 0 CFAELO C[C@@H]1CCCN(c2cc(NCc3ccco3)nc[nH+]2)C1 ZINC000110110618 375825416 /nfs/dbraw/zinc/82/54/16/375825416.db2.gz VIJNZFOHOJVOOC-GFCCVEGCSA-N 1 2 272.352 2.918 10 0 CFAELO CC(C)c1nc(N2CCO[C@@H](c3nccs3)C2)cc[nH+]1 ZINC000110464234 375830372 /nfs/dbraw/zinc/83/03/72/375830372.db2.gz SUGDOOAIZOTDOM-LLVKDONJSA-N 1 2 290.392 2.634 10 0 CFAELO C[C@@H]1CN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CCS1 ZINC000110541024 375831081 /nfs/dbraw/zinc/83/10/81/375831081.db2.gz XFJUDCKOFIIALX-QWHCGFSZSA-N 1 2 292.452 2.655 10 0 CFAELO C[C@@H]1CN(c2cc(N3CCC[C@H](C)C3)nc[nH+]2)CCS1 ZINC000110541024 375831085 /nfs/dbraw/zinc/83/10/85/375831085.db2.gz XFJUDCKOFIIALX-QWHCGFSZSA-N 1 2 292.452 2.655 10 0 CFAELO CCc1nc(C2([NH2+]Cc3cccn3C)CCCC2)no1 ZINC000118964923 376328212 /nfs/dbraw/zinc/32/82/12/376328212.db2.gz ANOFDDCVAZCFKK-UHFFFAOYSA-N 1 2 274.368 2.530 10 0 CFAELO CC(C)n1cc[nH+]c1C[S@@](=O)c1cccs1 ZINC000119928902 376506864 /nfs/dbraw/zinc/50/68/64/376506864.db2.gz SZEKAJJBMDSBNY-INIZCTEOSA-N 1 2 254.380 2.833 10 0 CFAELO Cc1nc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cs1 ZINC000120824628 376700831 /nfs/dbraw/zinc/70/08/31/376700831.db2.gz GXQSUKMTBNHZLZ-CYBMUJFWSA-N 1 2 262.382 2.902 10 0 CFAELO Cc1nc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cs1 ZINC000120824628 376700835 /nfs/dbraw/zinc/70/08/35/376700835.db2.gz GXQSUKMTBNHZLZ-CYBMUJFWSA-N 1 2 262.382 2.902 10 0 CFAELO COCCN1CC[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C[C@H]1C ZINC000120821995 376701296 /nfs/dbraw/zinc/70/12/96/376701296.db2.gz JMOBQDNICGVGAW-SQWLQELKSA-N 1 2 292.423 2.556 10 0 CFAELO COCCN1CC[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C[C@H]1C ZINC000120821995 376701297 /nfs/dbraw/zinc/70/12/97/376701297.db2.gz JMOBQDNICGVGAW-SQWLQELKSA-N 1 2 292.423 2.556 10 0 CFAELO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000121133643 376764994 /nfs/dbraw/zinc/76/49/94/376764994.db2.gz GNEPDQGXTOPKBX-GFCCVEGCSA-N 1 2 273.336 2.675 10 0 CFAELO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000121133643 376765004 /nfs/dbraw/zinc/76/50/04/376765004.db2.gz GNEPDQGXTOPKBX-GFCCVEGCSA-N 1 2 273.336 2.675 10 0 CFAELO Cc1nn(C)c(Cl)c1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000121809941 376911009 /nfs/dbraw/zinc/91/10/09/376911009.db2.gz XNDSZGPIJYUQJW-ZDUSSCGKSA-N 1 2 293.802 2.832 10 0 CFAELO Cc1nn(C)c(Cl)c1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000121809941 376911014 /nfs/dbraw/zinc/91/10/14/376911014.db2.gz XNDSZGPIJYUQJW-ZDUSSCGKSA-N 1 2 293.802 2.832 10 0 CFAELO CC[N@H+](CCCNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1 ZINC000124645432 377072912 /nfs/dbraw/zinc/07/29/12/377072912.db2.gz POHBADODKGVSQK-HOCLYGCPSA-N 1 2 290.407 2.587 10 0 CFAELO CC[N@@H+](CCCNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1 ZINC000124645432 377072924 /nfs/dbraw/zinc/07/29/24/377072924.db2.gz POHBADODKGVSQK-HOCLYGCPSA-N 1 2 290.407 2.587 10 0 CFAELO CCc1ccc([C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000130335623 377540595 /nfs/dbraw/zinc/54/05/95/377540595.db2.gz KNJCVQFOLYUGMK-BBRMVZONSA-N 1 2 297.402 2.885 10 0 CFAELO Cc1csc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)n1 ZINC000130648823 377587276 /nfs/dbraw/zinc/58/72/76/377587276.db2.gz MHPCQLWDZXHSKO-UHFFFAOYSA-N 1 2 290.436 2.867 10 0 CFAELO CNc1nc(N2CCCC[C@H]2C)[nH+]cc1Br ZINC000130677369 377595036 /nfs/dbraw/zinc/59/50/36/377595036.db2.gz DEQSJHRUTFCSKH-MRVPVSSYSA-N 1 2 285.189 2.660 10 0 CFAELO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1nnc2n1CCCC2 ZINC000131071293 377652312 /nfs/dbraw/zinc/65/23/12/377652312.db2.gz SLDAKSHIIUGCEZ-WDEREUQCSA-N 1 2 289.358 2.560 10 0 CFAELO CNc1nc(N(C)CC2CCC2)[nH+]cc1Br ZINC000132659670 377863966 /nfs/dbraw/zinc/86/39/66/377863966.db2.gz YMSXGXRBFDHOFK-UHFFFAOYSA-N 1 2 285.189 2.517 10 0 CFAELO CNc1nc(N(C)CCC2CC2)[nH+]cc1Br ZINC000133583895 377942306 /nfs/dbraw/zinc/94/23/06/377942306.db2.gz RZLOTJMQWSHQDT-UHFFFAOYSA-N 1 2 285.189 2.517 10 0 CFAELO C[C@H]1C[N@H+](Cc2cncc(Br)c2)CCS1 ZINC000134342625 378003384 /nfs/dbraw/zinc/00/33/84/378003384.db2.gz PGMOWTDPBWBGFK-VIFPVBQESA-N 1 2 287.226 2.781 10 0 CFAELO C[C@H]1C[N@@H+](Cc2cncc(Br)c2)CCS1 ZINC000134342625 378003388 /nfs/dbraw/zinc/00/33/88/378003388.db2.gz PGMOWTDPBWBGFK-VIFPVBQESA-N 1 2 287.226 2.781 10 0 CFAELO Cn1c2ccccc2nc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000154978155 378607146 /nfs/dbraw/zinc/60/71/46/378607146.db2.gz MHEIDZUQUUMBOR-JKSUJKDBSA-N 1 2 285.391 2.717 10 0 CFAELO Cn1c2ccccc2nc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000154978155 378607150 /nfs/dbraw/zinc/60/71/50/378607150.db2.gz MHEIDZUQUUMBOR-JKSUJKDBSA-N 1 2 285.391 2.717 10 0 CFAELO COC(=O)c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000163138025 378955753 /nfs/dbraw/zinc/95/57/53/378955753.db2.gz UNHWCFNGRYSDEI-STQMWFEESA-N 1 2 295.404 2.678 10 0 CFAELO COC(=O)c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000163138025 378955757 /nfs/dbraw/zinc/95/57/57/378955757.db2.gz UNHWCFNGRYSDEI-STQMWFEESA-N 1 2 295.404 2.678 10 0 CFAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cncc(F)c1 ZINC000167849905 379079108 /nfs/dbraw/zinc/07/91/08/379079108.db2.gz CBKWTWVFQCMOPL-ZWNOBZJWSA-N 1 2 289.358 2.560 10 0 CFAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cncc(F)c1 ZINC000167849708 379079250 /nfs/dbraw/zinc/07/92/50/379079250.db2.gz CBKWTWVFQCMOPL-GXFFZTMASA-N 1 2 289.358 2.560 10 0 CFAELO Cc1ccc2nc(C[N@H+]3CCC[C@@H]3c3cnn(C)c3)cn2c1 ZINC000171504525 379325283 /nfs/dbraw/zinc/32/52/83/379325283.db2.gz VWKPGBKIJIWYDT-MRXNPFEDSA-N 1 2 295.390 2.713 10 0 CFAELO Cc1ccc2nc(C[N@@H+]3CCC[C@@H]3c3cnn(C)c3)cn2c1 ZINC000171504525 379325287 /nfs/dbraw/zinc/32/52/87/379325287.db2.gz VWKPGBKIJIWYDT-MRXNPFEDSA-N 1 2 295.390 2.713 10 0 CFAELO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1nccn1C ZINC000171384447 379295345 /nfs/dbraw/zinc/29/53/45/379295345.db2.gz QNWDBYWSBAHTMY-LBPRGKRZSA-N 1 2 283.379 2.641 10 0 CFAELO CCc1nnc(C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)n1C ZINC000174506559 379898890 /nfs/dbraw/zinc/89/88/90/379898890.db2.gz DGFCGFLVBDJGRO-QWHCGFSZSA-N 1 2 288.395 2.944 10 0 CFAELO CCc1nnc(C[N@H+]2CC[C@H](C)C[C@@H]2c2ccco2)n1C ZINC000174506559 379898895 /nfs/dbraw/zinc/89/88/95/379898895.db2.gz DGFCGFLVBDJGRO-QWHCGFSZSA-N 1 2 288.395 2.944 10 0 CFAELO Cc1nc([C@H]2C[N@H+](CC3CCC(C)(C)CC3)CCO2)n[nH]1 ZINC000180111458 380619552 /nfs/dbraw/zinc/61/95/52/380619552.db2.gz QKKZMWAKXWAMRN-CQSZACIVSA-N 1 2 292.427 2.703 10 0 CFAELO Cc1nc([C@H]2C[N@@H+](CC3CCC(C)(C)CC3)CCO2)n[nH]1 ZINC000180111458 380619556 /nfs/dbraw/zinc/61/95/56/380619556.db2.gz QKKZMWAKXWAMRN-CQSZACIVSA-N 1 2 292.427 2.703 10 0 CFAELO Cc1cnc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)s1 ZINC000180586729 380678985 /nfs/dbraw/zinc/67/89/85/380678985.db2.gz JWFSJKRREFOXPV-LBPRGKRZSA-N 1 2 262.382 2.902 10 0 CFAELO Cc1cnc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)s1 ZINC000180586729 380678989 /nfs/dbraw/zinc/67/89/89/380678989.db2.gz JWFSJKRREFOXPV-LBPRGKRZSA-N 1 2 262.382 2.902 10 0 CFAELO Cc1nnc(C[NH2+][C@@H](C)c2cccc(Br)c2)o1 ZINC000182577907 381113701 /nfs/dbraw/zinc/11/37/01/381113701.db2.gz WEDLASKMMNUDCB-QMMMGPOBSA-N 1 2 296.168 2.991 10 0 CFAELO C[C@@H]1C[C@@H](C(=O)NCCc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC000183750130 381315855 /nfs/dbraw/zinc/31/58/55/381315855.db2.gz ZPZLBICSCVKQOA-VXGBXAGGSA-N 1 2 263.385 2.531 10 0 CFAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000184166332 381378808 /nfs/dbraw/zinc/37/88/08/381378808.db2.gz ATIMYMDVTWSFPW-CQSZACIVSA-N 1 2 296.798 2.779 10 0 CFAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000184166332 381378811 /nfs/dbraw/zinc/37/88/11/381378811.db2.gz ATIMYMDVTWSFPW-CQSZACIVSA-N 1 2 296.798 2.779 10 0 CFAELO CCC(CC)C[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000185754153 381724677 /nfs/dbraw/zinc/72/46/77/381724677.db2.gz PPPIOWOJIDGZRG-UHFFFAOYSA-N 1 2 288.395 2.910 10 0 CFAELO CCn1c(C)nnc1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186161687 381839493 /nfs/dbraw/zinc/83/94/93/381839493.db2.gz COBDZIZNISPFFL-UHFFFAOYSA-N 1 2 282.391 2.654 10 0 CFAELO CCn1c(C)nnc1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186161687 381839499 /nfs/dbraw/zinc/83/94/99/381839499.db2.gz COBDZIZNISPFFL-UHFFFAOYSA-N 1 2 282.391 2.654 10 0 CFAELO Cc1cc(NC[C@H](O)C2CCCC2)nc(-c2cccnc2)[nH+]1 ZINC000301255484 382125043 /nfs/dbraw/zinc/12/50/43/382125043.db2.gz BIQGVBVKJFANJS-HNNXBMFYSA-N 1 2 298.390 2.810 10 0 CFAELO C[C@@H]1COC[C@H](C)[N@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000187074203 382092804 /nfs/dbraw/zinc/09/28/04/382092804.db2.gz BAMZLXVXQSTOMO-RBZYPMLTSA-N 1 2 287.762 2.622 10 0 CFAELO C[C@@H]1COC[C@H](C)[N@@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000187074203 382092807 /nfs/dbraw/zinc/09/28/07/382092807.db2.gz BAMZLXVXQSTOMO-RBZYPMLTSA-N 1 2 287.762 2.622 10 0 CFAELO CNc1nc(N[C@H]2CC[C@@H](C)C2)[nH+]cc1Br ZINC000302533203 382263658 /nfs/dbraw/zinc/26/36/58/382263658.db2.gz LTFFNXPOJJPGGW-SFYZADRCSA-N 1 2 285.189 2.881 10 0 CFAELO Cc1csc([C@@H](C)[NH2+][C@@H](C)c2nccnc2C)n1 ZINC000187939207 382305153 /nfs/dbraw/zinc/30/51/53/382305153.db2.gz YHPANLVTHLAIRH-WDEREUQCSA-N 1 2 262.382 2.962 10 0 CFAELO CO[C@@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000302751903 382310444 /nfs/dbraw/zinc/31/04/44/382310444.db2.gz HHHNSPYWWRZXPJ-GHMZBOCLSA-N 1 2 289.383 2.561 10 0 CFAELO Fc1cc(Cl)ccc1C[NH2+][C@H]1CCCn2ncnc21 ZINC000189376169 382600318 /nfs/dbraw/zinc/60/03/18/382600318.db2.gz SXXHFFJXVLICPR-LBPRGKRZSA-N 1 2 280.734 2.695 10 0 CFAELO NNc1nc(C(F)(F)F)cc(-c2cccc(F)c2)[nH+]1 ZINC000390825392 382618848 /nfs/dbraw/zinc/61/88/48/382618848.db2.gz XIUOWCJBGUUOOK-UHFFFAOYSA-N 1 2 272.205 2.587 10 0 CFAELO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000189819194 382641843 /nfs/dbraw/zinc/64/18/43/382641843.db2.gz IYEJHLBEQCGVIB-KRWDZBQOSA-N 1 2 297.402 2.581 10 0 CFAELO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000189819194 382641844 /nfs/dbraw/zinc/64/18/44/382641844.db2.gz IYEJHLBEQCGVIB-KRWDZBQOSA-N 1 2 297.402 2.581 10 0 CFAELO Cc1csc([C@@H]2C[N@H+](Cc3cncc(C)c3)CCO2)n1 ZINC000189829403 382642168 /nfs/dbraw/zinc/64/21/68/382642168.db2.gz QWDXPFITLFXRFG-AWEZNQCLSA-N 1 2 289.404 2.728 10 0 CFAELO Cc1csc([C@@H]2C[N@@H+](Cc3cncc(C)c3)CCO2)n1 ZINC000189829403 382642169 /nfs/dbraw/zinc/64/21/69/382642169.db2.gz QWDXPFITLFXRFG-AWEZNQCLSA-N 1 2 289.404 2.728 10 0 CFAELO COC(=O)[C@]1(C)CCC[N@@H+]1C/C=C/c1ccccc1OC ZINC000189985525 382648568 /nfs/dbraw/zinc/64/85/68/382648568.db2.gz DNJQYCVTKCCXON-NADMHLTPSA-N 1 2 289.375 2.736 10 0 CFAELO COC(=O)[C@]1(C)CCC[N@H+]1C/C=C/c1ccccc1OC ZINC000189985525 382648569 /nfs/dbraw/zinc/64/85/69/382648569.db2.gz DNJQYCVTKCCXON-NADMHLTPSA-N 1 2 289.375 2.736 10 0 CFAELO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)CC(F)F ZINC000189725217 382637584 /nfs/dbraw/zinc/63/75/84/382637584.db2.gz YRMLBFAJIILDRI-AWEZNQCLSA-N 1 2 257.324 2.915 10 0 CFAELO CC[C@](C)(O)C[N@H+](Cc1ccccc1)CC(F)F ZINC000189725217 382637586 /nfs/dbraw/zinc/63/75/86/382637586.db2.gz YRMLBFAJIILDRI-AWEZNQCLSA-N 1 2 257.324 2.915 10 0 CFAELO Cc1c([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)cnn1C(C)C ZINC000191332701 382698614 /nfs/dbraw/zinc/69/86/14/382698614.db2.gz WNXVOSKIPRCTFR-RISCZKNCSA-N 1 2 288.399 2.550 10 0 CFAELO CCn1cc([C@H]2C[N@H+](Cc3cccc(F)c3)CCO2)cn1 ZINC000191699668 382702047 /nfs/dbraw/zinc/70/20/47/382702047.db2.gz YJCSDZKIRNCBDQ-MRXNPFEDSA-N 1 2 289.354 2.616 10 0 CFAELO CCn1cc([C@H]2C[N@@H+](Cc3cccc(F)c3)CCO2)cn1 ZINC000191699668 382702048 /nfs/dbraw/zinc/70/20/48/382702048.db2.gz YJCSDZKIRNCBDQ-MRXNPFEDSA-N 1 2 289.354 2.616 10 0 CFAELO C[C@@]([NH3+])(c1cscc1Br)C(F)F ZINC000575470522 382772645 /nfs/dbraw/zinc/77/26/45/382772645.db2.gz BJAVUXJSRGUTJD-SSDOTTSWSA-N 1 2 256.115 2.950 10 0 CFAELO CCc1nc(C2([NH2+]C[C@@H]3CCC=CO3)CCCC2)no1 ZINC000194357562 382741838 /nfs/dbraw/zinc/74/18/38/382741838.db2.gz MWAQJJGEUMQRRV-LBPRGKRZSA-N 1 2 277.368 2.684 10 0 CFAELO C1=CO[C@H](C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)CC1 ZINC000194357680 382741915 /nfs/dbraw/zinc/74/19/15/382741915.db2.gz KZEHUWMJPVGIBM-ZDUSSCGKSA-N 1 2 289.379 2.999 10 0 CFAELO C[C@@H]1CCCN1c1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000246072126 383061008 /nfs/dbraw/zinc/06/10/08/383061008.db2.gz ISQGJEHLPMBFAI-CHWSQXEVSA-N 1 2 260.385 2.702 10 0 CFAELO C[C@@H]1CCCN1c1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000246072126 383061017 /nfs/dbraw/zinc/06/10/17/383061017.db2.gz ISQGJEHLPMBFAI-CHWSQXEVSA-N 1 2 260.385 2.702 10 0 CFAELO C(c1noc2c1CCCC2)[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000246316323 383072498 /nfs/dbraw/zinc/07/24/98/383072498.db2.gz ZDFGZZZKTQOPCB-ZBFHGGJFSA-N 1 2 276.380 2.697 10 0 CFAELO C(c1noc2c1CCCC2)[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000246316323 383072502 /nfs/dbraw/zinc/07/25/02/383072502.db2.gz ZDFGZZZKTQOPCB-ZBFHGGJFSA-N 1 2 276.380 2.697 10 0 CFAELO COC(=O)c1cccnc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000340290845 383406538 /nfs/dbraw/zinc/40/65/38/383406538.db2.gz PIAZOLAKLMCCMR-NSHDSACASA-N 1 2 274.320 2.654 10 0 CFAELO COC(=O)c1cccnc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000340290845 383406542 /nfs/dbraw/zinc/40/65/42/383406542.db2.gz PIAZOLAKLMCCMR-NSHDSACASA-N 1 2 274.320 2.654 10 0 CFAELO CCn1c(C)nnc1C[N@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000195054805 393729266 /nfs/dbraw/zinc/72/92/66/393729266.db2.gz NDVZPCPRKFLRJV-GFCCVEGCSA-N 1 2 288.395 2.808 10 0 CFAELO CCn1c(C)nnc1C[N@@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000195054805 393729270 /nfs/dbraw/zinc/72/92/70/393729270.db2.gz NDVZPCPRKFLRJV-GFCCVEGCSA-N 1 2 288.395 2.808 10 0 CFAELO CCc1nnc(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)n1C ZINC000195054714 393729458 /nfs/dbraw/zinc/72/94/58/393729458.db2.gz WHMDRLLKGNSFIM-LBPRGKRZSA-N 1 2 288.395 2.579 10 0 CFAELO CCc1nnc(C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)n1C ZINC000195054714 393729463 /nfs/dbraw/zinc/72/94/63/393729463.db2.gz WHMDRLLKGNSFIM-LBPRGKRZSA-N 1 2 288.395 2.579 10 0 CFAELO Cc1ccn2cc(CN3C(=O)OC[C@@H]3C(C)C)[nH+]c2c1 ZINC000095525153 393813244 /nfs/dbraw/zinc/81/32/44/393813244.db2.gz ZPOLOTQEBLACIR-CYBMUJFWSA-N 1 2 273.336 2.620 10 0 CFAELO CCOCCN1CC[N@@H+]([C@@H](C)c2ccccc2F)C[C@@H]1C ZINC000106110968 393866305 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134854145 /nfs/dbraw/zinc/85/41/45/134854145.db2.gz DZLROJLPISJQAE-LBPRGKRZSA-N 1 2 287.388 2.649 10 0 CFAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccoc1 ZINC000178417762 394387846 /nfs/dbraw/zinc/38/78/46/394387846.db2.gz FRTGPDOLKXHWQZ-PWSUYJOCSA-N 1 2 260.341 2.619 10 0 CFAELO COCc1noc(C[NH2+][C@@H](C)c2cccc(Cl)c2)n1 ZINC000180234349 543011108 /nfs/dbraw/zinc/01/11/08/543011108.db2.gz FGTOUWGXRGMYSL-VIFPVBQESA-N 1 2 281.743 2.720 10 0 CFAELO Cc1ccc([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)o1 ZINC000193340276 543088797 /nfs/dbraw/zinc/08/87/97/543088797.db2.gz LRINNYUUSLJRAJ-AWEZNQCLSA-N 1 2 287.363 2.998 10 0 CFAELO Cc1ccc([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)o1 ZINC000193340276 543088800 /nfs/dbraw/zinc/08/88/00/543088800.db2.gz LRINNYUUSLJRAJ-AWEZNQCLSA-N 1 2 287.363 2.998 10 0 CFAELO CCn1ncnc1C[NH2+][C@H](C)c1nc2ccccc2n1CC ZINC000193551519 543090035 /nfs/dbraw/zinc/09/00/35/543090035.db2.gz GUGUTVUBQKRACN-GFCCVEGCSA-N 1 2 298.394 2.518 10 0 CFAELO CC(=O)c1c[nH+]c2ccc(Br)cc2c1N ZINC000238854965 397627228 /nfs/dbraw/zinc/62/72/28/397627228.db2.gz PYPDLSBRIRORKP-UHFFFAOYSA-N 1 2 265.110 2.782 10 0 CFAELO CNc1cc(Nc2cnn(Cc3ccccc3)c2)nc[nH+]1 ZINC000307017790 397643430 /nfs/dbraw/zinc/64/34/30/397643430.db2.gz QIJQPCISVHQXTM-UHFFFAOYSA-N 1 2 280.335 2.507 10 0 CFAELO C[C@@H]1CC(CC[N@H+](C)Cc2nnc[nH]2)C[C@@H](C)C1 ZINC000177103059 287220497 /nfs/dbraw/zinc/22/04/97/287220497.db2.gz JPBRCHZIUMYSLL-RYUDHWBXSA-N 1 2 250.390 2.699 10 0 CFAELO C[C@@H]1CC(CC[N@@H+](C)Cc2nnc[nH]2)C[C@@H](C)C1 ZINC000177103059 287220498 /nfs/dbraw/zinc/22/04/98/287220498.db2.gz JPBRCHZIUMYSLL-RYUDHWBXSA-N 1 2 250.390 2.699 10 0 CFAELO Nc1ccc(Nc2ccc3c(c2)OC(F)(F)O3)c[nH+]1 ZINC000020585325 171258519 /nfs/dbraw/zinc/25/85/19/171258519.db2.gz BJYWWZBCXWGHJW-UHFFFAOYSA-N 1 2 265.219 2.729 10 0 CFAELO C[C@H]1CCCC[C@H]1[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000021512920 171311056 /nfs/dbraw/zinc/31/10/56/171311056.db2.gz AWSGQNGRVJOHHQ-SMDDNHRTSA-N 1 2 257.341 2.653 10 0 CFAELO Nc1ccc(NC(=O)CCn2cc[nH+]c2)cc1C(F)(F)F ZINC000022168983 171367233 /nfs/dbraw/zinc/36/72/33/171367233.db2.gz DNGZTBBDKNEUAK-UHFFFAOYSA-N 1 2 298.268 2.513 10 0 CFAELO C[C@@H](C(=O)Nc1ccc(N)c(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000022176098 171370636 /nfs/dbraw/zinc/37/06/36/171370636.db2.gz VWYYCDOVMXOCIV-QMMMGPOBSA-N 1 2 298.268 2.684 10 0 CFAELO C[NH+](C)c1ccc(NCC(=O)N2CCCCCC2)cc1 ZINC000035164806 172026544 /nfs/dbraw/zinc/02/65/44/172026544.db2.gz WLWCJAINHISPLZ-UHFFFAOYSA-N 1 2 275.396 2.567 10 0 CFAELO C[NH+](C)c1ccc(NCC(=O)Nc2ccc(F)cc2)cc1 ZINC000035164802 172026681 /nfs/dbraw/zinc/02/66/81/172026681.db2.gz OERCZAPNLFNSDD-UHFFFAOYSA-N 1 2 287.338 2.942 10 0 CFAELO CCCCCC[NH2+]c1ccc(OCCC(N)=O)cc1 ZINC000036934171 172814313 /nfs/dbraw/zinc/81/43/13/172814313.db2.gz XMTVTNSNMJCDDS-UHFFFAOYSA-N 1 2 264.369 2.933 10 0 CFAELO Nc1ccc(SCC(=O)Nc2ccccc2F)c[nH+]1 ZINC000037192684 173022432 /nfs/dbraw/zinc/02/24/32/173022432.db2.gz UNHDHNOWJWUDIO-UHFFFAOYSA-N 1 2 277.324 2.534 10 0 CFAELO COc1[nH+]ccc(N(C)C)c1N[C@@H]1C[C@H]2CC=C[C@@H]21 ZINC000037275661 173087741 /nfs/dbraw/zinc/08/77/41/173087741.db2.gz QPTIHKVAFBVQQP-GRYCIOLGSA-N 1 2 259.353 2.533 10 0 CFAELO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)c2cc(F)ccc2O)C1 ZINC000037331952 173133766 /nfs/dbraw/zinc/13/37/66/173133766.db2.gz HSAQVYLHLCLKSF-GHMZBOCLSA-N 1 2 265.328 2.692 10 0 CFAELO CC[C@H]1CCCC[N@@H+]1CC(=O)c1cc(F)ccc1O ZINC000037334630 173135219 /nfs/dbraw/zinc/13/52/19/173135219.db2.gz FGLOXMZRAJZSKT-LBPRGKRZSA-N 1 2 265.328 2.979 10 0 CFAELO CC[C@H]1CCCC[N@H+]1CC(=O)c1cc(F)ccc1O ZINC000037334630 173135222 /nfs/dbraw/zinc/13/52/22/173135222.db2.gz FGLOXMZRAJZSKT-LBPRGKRZSA-N 1 2 265.328 2.979 10 0 CFAELO O=C(Cc1[nH]cc[nH+]1)c1ccccc1C(F)(F)F ZINC000037365828 173154384 /nfs/dbraw/zinc/15/43/84/173154384.db2.gz GXACMKFKCAVROH-UHFFFAOYSA-N 1 2 254.211 2.854 10 0 CFAELO CC(C)(C)OC(=O)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000037394108 173174513 /nfs/dbraw/zinc/17/45/13/173174513.db2.gz GFBAAUXBYWFSAM-CQSZACIVSA-N 1 2 261.365 2.995 10 0 CFAELO CC[NH2+][C@](C)(C(=O)OC)c1cccc2ccccc21 ZINC000037446793 173214499 /nfs/dbraw/zinc/21/44/99/173214499.db2.gz DJVPVSYTNAKHFI-INIZCTEOSA-N 1 2 257.333 2.838 10 0 CFAELO CCC[NH2+][C@@](CC)(C(=O)OC)c1ccc(F)cc1 ZINC000037459148 173224109 /nfs/dbraw/zinc/22/41/09/173224109.db2.gz TUOHEKBXLSSILY-CQSZACIVSA-N 1 2 253.317 2.604 10 0 CFAELO CCOC(=O)[C@@]1([NH2+]C)CCC(C)(C)c2ccccc21 ZINC000037458932 173224372 /nfs/dbraw/zinc/22/43/72/173224372.db2.gz ZNZADJHUQADAII-MRXNPFEDSA-N 1 2 261.365 2.736 10 0 CFAELO CCC[NH2+][C@@](C)(C(=O)OC)c1c(C)cc(C)cc1C ZINC000037459178 173224395 /nfs/dbraw/zinc/22/43/95/173224395.db2.gz WZDLSNDFACFTBI-MRXNPFEDSA-N 1 2 263.381 3.000 10 0 CFAELO CCC[NH2+][C@@]1(C(=O)OCC)CCCc2ccccc21 ZINC000037513656 173244874 /nfs/dbraw/zinc/24/48/74/173244874.db2.gz YSRDCLWUSSODAG-INIZCTEOSA-N 1 2 261.365 2.781 10 0 CFAELO COC(=O)[C@](C)([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000037514707 173245984 /nfs/dbraw/zinc/24/59/84/173245984.db2.gz AHFZSKZERMZPLI-MRXNPFEDSA-N 1 2 255.317 2.701 10 0 CFAELO C[C@H]1[C@H](C(F)(F)F)OCC[N@@H+]1Cc1ccccc1 ZINC000661889893 414296388 /nfs/dbraw/zinc/29/63/88/414296388.db2.gz RLHJUXPWRQESEF-CMPLNLGQSA-N 1 2 259.271 2.838 10 0 CFAELO C[C@H]1[C@H](C(F)(F)F)OCC[N@H+]1Cc1ccccc1 ZINC000661889893 414296395 /nfs/dbraw/zinc/29/63/95/414296395.db2.gz RLHJUXPWRQESEF-CMPLNLGQSA-N 1 2 259.271 2.838 10 0 CFAELO COC(=O)[C@H]([NH2+]Cc1cccs1)[C@H]1CC=CCC1 ZINC000037966946 173912846 /nfs/dbraw/zinc/91/28/46/173912846.db2.gz IKVQCVWOYSSQJO-WCQYABFASA-N 1 2 265.378 2.736 10 0 CFAELO CCCCc1noc(C[N@@H+]2CCc3c(N)cccc3C2)n1 ZINC000038032849 174030119 /nfs/dbraw/zinc/03/01/19/174030119.db2.gz AEUNBSUJZOHPCY-UHFFFAOYSA-N 1 2 286.379 2.553 10 0 CFAELO CCCCc1noc(C[N@H+]2CCc3c(N)cccc3C2)n1 ZINC000038032849 174030121 /nfs/dbraw/zinc/03/01/21/174030121.db2.gz AEUNBSUJZOHPCY-UHFFFAOYSA-N 1 2 286.379 2.553 10 0 CFAELO CCOC(=O)[C@@]1([NH2+][C@H](C)CC)CCc2ccccc21 ZINC000038067726 174079732 /nfs/dbraw/zinc/07/97/32/174079732.db2.gz RXZYGOAJKGWZJJ-MLGOLLRUSA-N 1 2 261.365 2.779 10 0 CFAELO CC(C)CNC(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000040295883 174223969 /nfs/dbraw/zinc/22/39/69/174223969.db2.gz BHFXDORTDKQRBN-UHFFFAOYSA-N 1 2 271.364 2.686 10 0 CFAELO Cc1cc(-n2ccnc2-c2cccc(N)c2)nc(C)[nH+]1 ZINC000040516874 174307405 /nfs/dbraw/zinc/30/74/05/174307405.db2.gz DNSPATCJMWUSQJ-UHFFFAOYSA-N 1 2 265.320 2.528 10 0 CFAELO CO[C@H]1C[NH2+][C@H](c2nc(C)c(-c3ccc(C)cc3)[nH]2)C1 ZINC000040637665 174361814 /nfs/dbraw/zinc/36/18/14/174361814.db2.gz HBBWMWVSSVVQLU-KGLIPLIRSA-N 1 2 271.364 2.743 10 0 CFAELO COC(=O)[C@@H]([NH2+]CC(C)C)c1cccc(OC(C)C)c1 ZINC000040666672 174366140 /nfs/dbraw/zinc/36/61/40/174366140.db2.gz NYLORPVRNULJSJ-HNNXBMFYSA-N 1 2 279.380 2.934 10 0 CFAELO CCCCNc1[nH+]cnc(N2CCc3ccccc32)c1N ZINC000040687275 174375173 /nfs/dbraw/zinc/37/51/73/174375173.db2.gz DTLJNADIVARDOU-UHFFFAOYSA-N 1 2 283.379 2.965 10 0 CFAELO Cc1cccc(Nc2nc[nH+]c(NCc3ccco3)c2N)n1 ZINC000040685502 174375198 /nfs/dbraw/zinc/37/51/98/174375198.db2.gz JSKXTNPFOSTRBP-UHFFFAOYSA-N 1 2 296.334 2.711 10 0 CFAELO COc1ccc(Cl)cc1Nc1nc[nH+]c(N(C)C)c1N ZINC000040702263 174378824 /nfs/dbraw/zinc/37/88/24/174378824.db2.gz PWBVMIUEORFLTL-UHFFFAOYSA-N 1 2 293.758 2.530 10 0 CFAELO CNc1nc[nH+]c(Nc2ccc(C(C)C)cc2)c1N ZINC000040705970 174379475 /nfs/dbraw/zinc/37/94/75/174379475.db2.gz OIPCRXAUYUOQKP-UHFFFAOYSA-N 1 2 257.341 2.968 10 0 CFAELO CNc1[nH+]cnc(Nc2ccc(C(C)C)cc2)c1N ZINC000040705970 174379477 /nfs/dbraw/zinc/37/94/77/174379477.db2.gz OIPCRXAUYUOQKP-UHFFFAOYSA-N 1 2 257.341 2.968 10 0 CFAELO CCNc1[nH+]cnc(Nc2ccccc2OCC)c1N ZINC000040707554 174379954 /nfs/dbraw/zinc/37/99/54/174379954.db2.gz GRXCSEKJQYDSHN-UHFFFAOYSA-N 1 2 273.340 2.633 10 0 CFAELO Cc1cccc(Nc2[nH+]cnc(NC(C)C)c2N)c1 ZINC000040708171 174380199 /nfs/dbraw/zinc/38/01/99/174380199.db2.gz XPPSYXRVBPBGPO-UHFFFAOYSA-N 1 2 257.341 2.931 10 0 CFAELO Cc1cccc(Nc2nc[nH+]c(NC(C)C)c2N)c1 ZINC000040708171 174380200 /nfs/dbraw/zinc/38/02/00/174380200.db2.gz XPPSYXRVBPBGPO-UHFFFAOYSA-N 1 2 257.341 2.931 10 0 CFAELO 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ZINC000040765617 174397773 /nfs/dbraw/zinc/39/77/73/174397773.db2.gz GDBZYTHZPHPUKZ-CQSZACIVSA-N 1 2 257.337 2.575 10 0 CFAELO CCCc1cc(NC[C@H](O)c2ccccc2)nc[nH+]1 ZINC000040765616 174397862 /nfs/dbraw/zinc/39/78/62/174397862.db2.gz GDBZYTHZPHPUKZ-AWEZNQCLSA-N 1 2 257.337 2.575 10 0 CFAELO CCCn1ccnc1[C@@H]([NH2+]C)c1ccc(F)cc1F ZINC000041113521 174483052 /nfs/dbraw/zinc/48/30/52/174483052.db2.gz OXPDCTDPEABZQE-ZDUSSCGKSA-N 1 2 265.307 2.880 10 0 CFAELO NC(=O)[C@H]([NH2+]Cc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000043390787 175033578 /nfs/dbraw/zinc/03/35/78/175033578.db2.gz PGHFEDZQNPKWKM-CQSZACIVSA-N 1 2 292.741 2.795 10 0 CFAELO CCOC(=O)[C@@H]([NH2+]CC1CC1)c1cc(C)cc(C)c1 ZINC000043394953 175035684 /nfs/dbraw/zinc/03/56/84/175035684.db2.gz SVZJQLRUWHPOAI-HNNXBMFYSA-N 1 2 261.365 2.907 10 0 CFAELO Cc1ccc(C(N)=S)c(N(C)Cc2ccc(F)cc2)[nH+]1 ZINC000043396775 175036356 /nfs/dbraw/zinc/03/63/56/175036356.db2.gz ZCBSTFVMPZEROC-UHFFFAOYSA-N 1 2 289.379 2.800 10 0 CFAELO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C(=O)[O-])C(C)C)c(C)[nH+]1 ZINC000043431144 175043150 /nfs/dbraw/zinc/04/31/50/175043150.db2.gz LXFXDXXXGJQJAH-OCCSQVGLSA-N 1 2 264.369 2.767 10 0 CFAELO CC(C)CCc1noc([C@H]2[NH2+]CCc3ccccc32)n1 ZINC000043594471 175075353 /nfs/dbraw/zinc/07/53/53/175075353.db2.gz ITEILXCOARZOFS-HNNXBMFYSA-N 1 2 271.364 2.893 10 0 CFAELO CC[N@H+](C[C@H](NC)c1cc(C)ccc1OC)[C@@H](C)COC ZINC000043981093 175134122 /nfs/dbraw/zinc/13/41/22/175134122.db2.gz VZELNHYUWLLXGJ-HOCLYGCPSA-N 1 2 294.439 2.621 10 0 CFAELO CC[N@@H+](C[C@H](NC)c1cc(C)ccc1OC)[C@@H](C)COC ZINC000043981093 175134123 /nfs/dbraw/zinc/13/41/23/175134123.db2.gz VZELNHYUWLLXGJ-HOCLYGCPSA-N 1 2 294.439 2.621 10 0 CFAELO CCOc1ccc([C@H](C)O)cc1C[N@@H+]1CCOC(C)(C)C1 ZINC000044159995 175146664 /nfs/dbraw/zinc/14/66/64/175146664.db2.gz VZTCDKFVSAUDDW-ZDUSSCGKSA-N 1 2 293.407 2.749 10 0 CFAELO CCOc1ccc([C@H](C)O)cc1C[N@H+]1CCOC(C)(C)C1 ZINC000044159995 175146665 /nfs/dbraw/zinc/14/66/65/175146665.db2.gz VZTCDKFVSAUDDW-ZDUSSCGKSA-N 1 2 293.407 2.749 10 0 CFAELO CC[C@H]1CCCC[C@H]1[NH2+]c1ccc(N)c(C(N)=O)c1 ZINC000044386358 175170050 /nfs/dbraw/zinc/17/00/50/175170050.db2.gz FFHRYCNCJGIVJO-IINYFYTJSA-N 1 2 261.369 2.748 10 0 CFAELO COC(=O)c1cc([N@H+](C)[C@@H](C)CC(C)C)ccc1N ZINC000044415224 175172759 /nfs/dbraw/zinc/17/27/59/175172759.db2.gz MCBXXEONBYRUNL-NSHDSACASA-N 1 2 264.369 2.926 10 0 CFAELO COC(=O)c1cc([N@@H+](C)[C@@H](C)CC(C)C)ccc1N ZINC000044415224 175172760 /nfs/dbraw/zinc/17/27/60/175172760.db2.gz MCBXXEONBYRUNL-NSHDSACASA-N 1 2 264.369 2.926 10 0 CFAELO C[C@@H](Nc1cccc(-n2cc[nH+]c2)c1)c1cnn(C)c1 ZINC000044496317 175183403 /nfs/dbraw/zinc/18/34/03/175183403.db2.gz BMRDDNLRFMDNJG-GFCCVEGCSA-N 1 2 267.336 2.779 10 0 CFAELO C[N@@H+]1CCCC[C@H]1Cn1c(=O)c2ccsc2[nH]c1=S ZINC000044563850 175207485 /nfs/dbraw/zinc/20/74/85/175207485.db2.gz SVTXARSLMGBITN-VIFPVBQESA-N 1 2 295.433 2.605 10 0 CFAELO C[N@H+]1CCCC[C@H]1Cn1c(=O)c2ccsc2[nH]c1=S ZINC000044563850 175207487 /nfs/dbraw/zinc/20/74/87/175207487.db2.gz SVTXARSLMGBITN-VIFPVBQESA-N 1 2 295.433 2.605 10 0 CFAELO Oc1ccc(-c2noc([C@H]3[NH2+]CCc4sccc43)n2)cc1 ZINC000044592952 175214050 /nfs/dbraw/zinc/21/40/50/175214050.db2.gz OFWUXIUYIHQGDL-ZDUSSCGKSA-N 1 2 299.355 2.739 10 0 CFAELO Cc1nnc([C@H]2[NH2+]CCc3sccc32)n1-c1ccccc1 ZINC000044593050 175214320 /nfs/dbraw/zinc/21/43/20/175214320.db2.gz IXJKKUJKPCIRTB-HNNXBMFYSA-N 1 2 296.399 2.872 10 0 CFAELO O=c1nc(C[NH2+][C@H]2C[C@H]2c2ccccc2)[nH]c2ccsc21 ZINC000044677092 175227484 /nfs/dbraw/zinc/22/74/84/175227484.db2.gz PQPVWDMWCLIPJM-AAEUAGOBSA-N 1 2 297.383 2.630 10 0 CFAELO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cc(C)on2)c1C ZINC000045172808 175322503 /nfs/dbraw/zinc/32/25/03/175322503.db2.gz NTZHJHJLGUSLKP-SNVBAGLBSA-N 1 2 262.357 2.667 10 0 CFAELO CCCC[N@H+](C[C@@](C)([NH2+]CCC)C(=O)[O-])[C@@H](C)CC ZINC000045282502 175352891 /nfs/dbraw/zinc/35/28/91/175352891.db2.gz CSNJRQSOWLAULV-DZGCQCFKSA-N 1 2 272.433 2.730 10 0 CFAELO CCCC[N@@H+](C[C@@](C)([NH2+]CCC)C(=O)[O-])[C@@H](C)CC ZINC000045282502 175352892 /nfs/dbraw/zinc/35/28/92/175352892.db2.gz CSNJRQSOWLAULV-DZGCQCFKSA-N 1 2 272.433 2.730 10 0 CFAELO C[NH2+][C@@H](C[NH+](C1CCCCC1)C1CCCCC1)C(=O)[O-] ZINC000045369187 175363885 /nfs/dbraw/zinc/36/38/85/175363885.db2.gz RLTPQGLJQREYAL-HNNXBMFYSA-N 1 2 282.428 2.626 10 0 CFAELO CCOC(=O)[C@@H](CN(CC)c1cccc(F)c1)[NH2+]C(C)C ZINC000045421304 175379733 /nfs/dbraw/zinc/37/97/33/175379733.db2.gz YLSNINVEHSFWJC-OAHLLOKOSA-N 1 2 296.386 2.582 10 0 CFAELO Cn1cc([C@H](c2c[nH]c3ccc(F)cc32)n2cc[nH+]c2)cn1 ZINC000071708957 176248725 /nfs/dbraw/zinc/24/87/25/176248725.db2.gz KTDOJTMWXLRLHT-MRXNPFEDSA-N 1 2 295.321 2.875 10 0 CFAELO COc1ccc(-c2n[nH]cc2-c2[nH]cc[nH+]2)c(F)c1 ZINC000072129695 176320943 /nfs/dbraw/zinc/32/09/43/176320943.db2.gz SOPPCOXRBVXICL-UHFFFAOYSA-N 1 2 258.256 2.615 10 0 CFAELO C[C@@H](NC(=O)N(C)CC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470979 177025489 /nfs/dbraw/zinc/02/54/89/177025489.db2.gz YVXQLPYRNQWXSR-CYBMUJFWSA-N 1 2 298.390 2.985 10 0 CFAELO [NH3+]N1CCC[C@H](c2ccccc2Br)C1 ZINC000077609748 177286202 /nfs/dbraw/zinc/28/62/02/177286202.db2.gz OFSDKWHPKBRKBZ-VIFPVBQESA-N 1 2 255.159 2.502 10 0 CFAELO C[C@H]([NH2+]Cc1cnns1)c1cc(F)ccc1F ZINC000400217587 420503448 /nfs/dbraw/zinc/50/34/48/420503448.db2.gz FKJMLDPOWUTXBZ-ZETCQYMHSA-N 1 2 255.293 2.667 10 0 CFAELO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N(C)C ZINC000026507457 276302274 /nfs/dbraw/zinc/30/22/74/276302274.db2.gz WOIGQWQUSNMVPY-UHFFFAOYSA-N 1 2 258.321 2.786 10 0 CFAELO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(Cl)nc1 ZINC000179137387 278273436 /nfs/dbraw/zinc/27/34/36/278273436.db2.gz TVIRFTRMPIXUJT-GXSJLCMTSA-N 1 2 277.759 2.512 10 0 CFAELO C[C@@H]1CC[C@@H](C(=O)Nc2c[nH+]ccc2OC(C)(C)C)O1 ZINC000131941078 280724812 /nfs/dbraw/zinc/72/48/12/280724812.db2.gz AUBSTKLWXBJNOY-MFKMUULPSA-N 1 2 278.352 2.765 10 0 CFAELO C[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)O1 ZINC000152285539 289843478 /nfs/dbraw/zinc/84/34/78/289843478.db2.gz TYATUQLSGBVXHS-GWCFXTLKSA-N 1 2 271.320 2.583 10 0 CFAELO CC(C)Cc1ncc(C[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000156575987 289940878 /nfs/dbraw/zinc/94/08/78/289940878.db2.gz DMGUNKLNWVTUOK-VXGBXAGGSA-N 1 2 268.426 2.951 10 0 CFAELO CCC[C@@H]([NH2+][C@@H](COC)C(C)C)C(=O)OC(C)(C)C ZINC000157476089 289955939 /nfs/dbraw/zinc/95/59/39/289955939.db2.gz PVHWDDZQXHYXCR-OLZOCXBDSA-N 1 2 273.417 2.757 10 0 CFAELO CCc1nnc(C[NH2+][C@@H](CC)c2ccc(F)cc2F)n1C ZINC000179618057 323753393 /nfs/dbraw/zinc/75/33/93/323753393.db2.gz YCBPQYCQJNQDNJ-ZDUSSCGKSA-N 1 2 294.349 2.897 10 0 CFAELO CCCNc1snnc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000050791989 520204763 /nfs/dbraw/zinc/20/47/63/520204763.db2.gz XISSMDDGTQDYDE-GHMZBOCLSA-N 1 2 268.430 2.838 10 0 CFAELO CCN(CC)C(=O)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195367710 520480603 /nfs/dbraw/zinc/48/06/03/520480603.db2.gz KROSFWVSIHTOOB-GFCCVEGCSA-N 1 2 281.425 2.539 10 0 CFAELO CCOC(=O)[C@@H](C)N[C@@H](C)c1c(C)cc(C)[nH+]c1C ZINC000049370944 521025943 /nfs/dbraw/zinc/02/59/43/521025943.db2.gz KOEOPBYOSMNBFI-QWHCGFSZSA-N 1 2 264.369 2.609 10 0 CFAELO CCOC(=O)[C@@H](C)[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000049371424 521027312 /nfs/dbraw/zinc/02/73/12/521027312.db2.gz YVHGNPQQOKJJDK-DOMZBBRYSA-N 1 2 261.365 2.987 10 0 CFAELO CC(C)N(C(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000069537363 519557991 /nfs/dbraw/zinc/55/79/91/519557991.db2.gz CMSCJFSJLOMNBF-GJZGRUSLSA-N 1 2 290.407 2.537 10 0 CFAELO CCC1CCC([N@H+](C)Cc2nnsc2NC)CC1 ZINC000050817587 519853122 /nfs/dbraw/zinc/85/31/22/519853122.db2.gz AZMJCBWIZLZXKL-UHFFFAOYSA-N 1 2 268.430 2.980 10 0 CFAELO CCC1CCC([N@@H+](C)Cc2nnsc2NC)CC1 ZINC000050817587 519853124 /nfs/dbraw/zinc/85/31/24/519853124.db2.gz AZMJCBWIZLZXKL-UHFFFAOYSA-N 1 2 268.430 2.980 10 0 CFAELO CCC[NH2+][C@@H](COc1ccccc1C(C)C)C(=O)OC ZINC000045519625 520011595 /nfs/dbraw/zinc/01/15/95/520011595.db2.gz VABLBAYMFRIOHG-AWEZNQCLSA-N 1 2 279.380 2.730 10 0 CFAELO CC[NH2+][C@@H](CCO[C@@H]1CCCC[C@@H]1CC)C(=O)OC ZINC000062543236 520091081 /nfs/dbraw/zinc/09/10/81/520091081.db2.gz OXDHVRPUNVVKLY-MELADBBJSA-N 1 2 271.401 2.513 10 0 CFAELO CCCCCC[C@H](C)OCC[C@@](C)([NH2+]C)C(=O)OC ZINC000045473106 520132911 /nfs/dbraw/zinc/13/29/11/520132911.db2.gz KXGRQMSPDYSQOQ-DZGCQCFKSA-N 1 2 273.417 2.903 10 0 CFAELO CCCNc1ccc(CN2CCCCCC2=O)c[nH+]1 ZINC000050829066 520158327 /nfs/dbraw/zinc/15/83/27/520158327.db2.gz HDNWVSVBPKRTCA-UHFFFAOYSA-N 1 2 261.369 2.806 10 0 CFAELO Fc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000119520258 534476411 /nfs/dbraw/zinc/47/64/11/534476411.db2.gz ABBIYOZDPAYSMR-CYBMUJFWSA-N 1 2 294.761 2.908 10 0 CFAELO Fc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000119520258 534476419 /nfs/dbraw/zinc/47/64/19/534476419.db2.gz ABBIYOZDPAYSMR-CYBMUJFWSA-N 1 2 294.761 2.908 10 0 CFAELO CC[NH2+][C@](C)(CS[C@@H]1CCC[C@H](C)C1)C(=O)OC ZINC000054695822 520233923 /nfs/dbraw/zinc/23/39/23/520233923.db2.gz VXHXLRCWCKYWBW-OUCADQQQSA-N 1 2 273.442 2.840 10 0 CFAELO CCN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195367710 520480594 /nfs/dbraw/zinc/48/05/94/520480594.db2.gz KROSFWVSIHTOOB-GFCCVEGCSA-N 1 2 281.425 2.539 10 0 CFAELO CCOC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(CC)s1 ZINC000049370683 521029563 /nfs/dbraw/zinc/02/95/63/521029563.db2.gz UGAIGALDLXHPPU-NXEZZACHSA-N 1 2 255.383 2.913 10 0 CFAELO CCOC(=O)[C@@](C)(CCCOCC(C)C)[NH2+]C1CC1 ZINC000045501704 521145983 /nfs/dbraw/zinc/14/59/83/521145983.db2.gz LGUCWOFBBJVCCT-OAHLLOKOSA-N 1 2 271.401 2.513 10 0 CFAELO CCOC(=O)[C@H](C)Nc1cc(C)[nH+]c2ccccc12 ZINC000049374234 521213971 /nfs/dbraw/zinc/21/39/71/521213971.db2.gz BLHAPDOAXODIBN-NSHDSACASA-N 1 2 258.321 2.907 10 0 CFAELO CCC(=O)Nc1cccc(NCc2c[nH+]c[nH]2)c1C ZINC000054764800 521224922 /nfs/dbraw/zinc/22/49/22/521224922.db2.gz WWWXGJKSHAXHJJ-UHFFFAOYSA-N 1 2 258.325 2.679 10 0 CFAELO CCC(=O)Nc1cccc(NCc2c[nH]c[nH+]2)c1C ZINC000054764800 521224928 /nfs/dbraw/zinc/22/49/28/521224928.db2.gz WWWXGJKSHAXHJJ-UHFFFAOYSA-N 1 2 258.325 2.679 10 0 CFAELO CCCc1cc(N)nc(-c2cc(OC)cc(OC)c2)[nH+]1 ZINC000050866576 521366059 /nfs/dbraw/zinc/36/60/59/521366059.db2.gz DLSIKRJMPYNVPG-UHFFFAOYSA-N 1 2 273.336 2.696 10 0 CFAELO CCCn1ccc(C[NH2+]CC(F)(F)C(F)F)c1 ZINC000233383521 521655807 /nfs/dbraw/zinc/65/58/07/521655807.db2.gz KPCQEBONKYOGRF-UHFFFAOYSA-N 1 2 252.255 2.888 10 0 CFAELO CCc1ccccc1[C@H]([NH2+]C1CCCC1)C(=O)OC ZINC000052204547 521954285 /nfs/dbraw/zinc/95/42/85/521954285.db2.gz IFYFRZLSQBHFDE-HNNXBMFYSA-N 1 2 261.365 2.995 10 0 CFAELO C[NH+](C)c1ccc(Nc2ccnc(C(N)=S)c2)cc1 ZINC000061812658 522238416 /nfs/dbraw/zinc/23/84/16/522238416.db2.gz VJUWMLXIERQDGV-UHFFFAOYSA-N 1 2 272.377 2.525 10 0 CFAELO C[NH2+][C@@H](c1nnc([C@@H]2CCCCO2)o1)c1ccccc1 ZINC000050973857 522374388 /nfs/dbraw/zinc/37/43/88/522374388.db2.gz MIZKHKFRFXGNEK-QWHCGFSZSA-N 1 2 273.336 2.620 10 0 CFAELO C[NH2+][C@@H](c1nnc(CC(C)(C)C)o1)c1ccccc1 ZINC000050617982 522374726 /nfs/dbraw/zinc/37/47/26/522374726.db2.gz CDXDGLSYOSBWFA-CYBMUJFWSA-N 1 2 259.353 2.967 10 0 CFAELO CCn1cc[nH+]c1CN1CCC[C@H]1c1noc(C(C)C)n1 ZINC000195515554 523531941 /nfs/dbraw/zinc/53/19/41/523531941.db2.gz DLPDKGGBOSHMNE-LBPRGKRZSA-N 1 2 289.383 2.747 10 0 CFAELO CO[C@@H](c1[nH]c2ccc(N)cc2[nH+]1)c1ccccc1 ZINC000050437803 523550892 /nfs/dbraw/zinc/55/08/92/523550892.db2.gz MPJBBZRSFWFEQV-CQSZACIVSA-N 1 2 253.305 2.881 10 0 CFAELO CCc1c(C)[nH+]c(-c2ccc3c(c2)CCO3)nc1N ZINC000050866536 523708899 /nfs/dbraw/zinc/70/88/99/523708899.db2.gz CCDIMHIJJJTCMW-UHFFFAOYSA-N 1 2 255.321 2.532 10 0 CFAELO CCc1ccc([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000155764309 524023659 /nfs/dbraw/zinc/02/36/59/524023659.db2.gz XTMQGPJCYCUBGO-CJNGLKHVSA-N 1 2 297.402 2.885 10 0 CFAELO Cc1cccc(Cc2nc(N)c3c([nH+]2)CCCC3)c1 ZINC000050846929 524473097 /nfs/dbraw/zinc/47/30/97/524473097.db2.gz FYWICOFDWRVIHV-UHFFFAOYSA-N 1 2 253.349 2.837 10 0 CFAELO C[C@H]1C[C@H](CC[N@H+](C)Cc2nnc[nH]2)C[C@@H](C)C1 ZINC000246205231 524895257 /nfs/dbraw/zinc/89/52/57/524895257.db2.gz JPBRCHZIUMYSLL-ITGUQSILSA-N 1 2 250.390 2.699 10 0 CFAELO C[C@H]1C[C@H](CC[N@@H+](C)Cc2nnc[nH]2)C[C@@H](C)C1 ZINC000246205231 524895266 /nfs/dbraw/zinc/89/52/66/524895266.db2.gz JPBRCHZIUMYSLL-ITGUQSILSA-N 1 2 250.390 2.699 10 0 CFAELO C[C@@H](N(C)c1cc[nH+]c(C(N)=S)c1)C(C)(C)C ZINC000061813149 524985304 /nfs/dbraw/zinc/98/53/04/524985304.db2.gz ZRVUORFKPFTSAJ-SECBINFHSA-N 1 2 251.399 2.587 10 0 CFAELO Cc1cc(N)nc(Cc2cccc(Br)c2)[nH+]1 ZINC000050845123 525040509 /nfs/dbraw/zinc/04/05/09/525040509.db2.gz QAMONMPPSDFTIO-UHFFFAOYSA-N 1 2 278.153 2.721 10 0 CFAELO C[C@@H]1CN(c2ccc3[nH+]cccc3c2N)CC(C)(C)O1 ZINC000045687510 525067650 /nfs/dbraw/zinc/06/76/50/525067650.db2.gz CPYVVWYCLURUAQ-LLVKDONJSA-N 1 2 271.364 2.821 10 0 CFAELO Cc1ccccc1CS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000195519945 525176548 /nfs/dbraw/zinc/17/65/48/525176548.db2.gz ZYSHNGBLKUINHO-UHFFFAOYSA-N 1 2 292.404 2.887 10 0 CFAELO Cc1ccc(NC(=O)c2cccc(NN)[nH+]2)c(Cl)c1 ZINC000051122514 525245396 /nfs/dbraw/zinc/24/53/96/525245396.db2.gz BYELMMRDMMXCPT-UHFFFAOYSA-N 1 2 276.727 2.581 10 0 CFAELO COc1ccc2cc(COC[C@@H]3CCCO3)c(N)[nH+]c2c1 ZINC000050831595 525633076 /nfs/dbraw/zinc/63/30/76/525633076.db2.gz QAVYQSPSKDCYRN-AWEZNQCLSA-N 1 2 288.347 2.521 10 0 CFAELO Cc1c(C)n(CCc2ccco2)c2nc(C)[nH+]c(N)c12 ZINC000049146921 525683735 /nfs/dbraw/zinc/68/37/35/525683735.db2.gz DWBOTZKMCCYHEZ-UHFFFAOYSA-N 1 2 270.336 2.774 10 0 CFAELO CSC[C@H](C)CNc1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000069444351 525685237 /nfs/dbraw/zinc/68/52/37/525685237.db2.gz LAWPXQPSRJRRFM-SECBINFHSA-N 1 2 295.477 2.616 10 0 CFAELO Cc1cnc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)o1 ZINC000173697678 526019283 /nfs/dbraw/zinc/01/92/83/526019283.db2.gz LEEOSAADSOZCLU-ZDUSSCGKSA-N 1 2 274.368 2.670 10 0 CFAELO Cc1cnc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)o1 ZINC000173697678 526019294 /nfs/dbraw/zinc/01/92/94/526019294.db2.gz LEEOSAADSOZCLU-ZDUSSCGKSA-N 1 2 274.368 2.670 10 0 CFAELO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2)o1 ZINC000230646321 526122512 /nfs/dbraw/zinc/12/25/12/526122512.db2.gz MQHPWFNJPRUNFB-GFCCVEGCSA-N 1 2 273.336 2.581 10 0 CFAELO Cc1cnc([C@@H](C)[NH2+]Cc2sc(C)nc2C)o1 ZINC000230643054 526129744 /nfs/dbraw/zinc/12/97/44/526129744.db2.gz TWFNTIVQNWUDQW-SECBINFHSA-N 1 2 251.355 2.907 10 0 CFAELO Cc1cnc([C@H](C)[NH2+]Cc2ccncc2Cl)o1 ZINC000230643078 526159288 /nfs/dbraw/zinc/15/92/88/526159288.db2.gz XDLYSUJPROEQRS-VIFPVBQESA-N 1 2 251.717 2.882 10 0 CFAELO C[C@H](C(=O)c1cccc(Cl)c1)[NH+]1CCC(CO)CC1 ZINC000050131853 526190918 /nfs/dbraw/zinc/19/09/18/526190918.db2.gz IMJULOGJTMGVSN-LLVKDONJSA-N 1 2 281.783 2.616 10 0 CFAELO Cc1nnc(Nc2ccc3c(c2)CCC[NH2+]3)nc1C ZINC000165363933 526375827 /nfs/dbraw/zinc/37/58/27/526375827.db2.gz BGXFEYHYLLODLX-UHFFFAOYSA-N 1 2 255.325 2.590 10 0 CFAELO O=C(c1ccc(Cl)c(Cl)c1)N1CCn2cc[nH+]c2C1 ZINC000074785026 526673460 /nfs/dbraw/zinc/67/34/60/526673460.db2.gz FENULCZACKBASB-UHFFFAOYSA-N 1 2 296.157 2.846 10 0 CFAELO Clc1nnc(NCCCn2cc[nH+]c2)c2ccccc12 ZINC000050528904 527012533 /nfs/dbraw/zinc/01/25/33/527012533.db2.gz PEDMHJXYRFPUDU-UHFFFAOYSA-N 1 2 287.754 2.982 10 0 CFAELO NC(=S)c1cc(NCc2ccc(F)c(F)c2)cc[nH+]1 ZINC000061813011 527117112 /nfs/dbraw/zinc/11/71/12/527117112.db2.gz DEPQDIIMLJDFFC-UHFFFAOYSA-N 1 2 279.315 2.606 10 0 CFAELO Cn1ccnc1[C@H]([NH2+]CCc1ccsc1)c1ccco1 ZINC000049153480 527464606 /nfs/dbraw/zinc/46/46/06/527464606.db2.gz MILUZPRFPNJNEU-CQSZACIVSA-N 1 2 287.388 2.996 10 0 CFAELO Nc1ccc(NC(=O)c2cccc(OC(F)F)c2)c[nH+]1 ZINC000061680591 527494721 /nfs/dbraw/zinc/49/47/21/527494721.db2.gz BQAAZNCPPLZWLU-UHFFFAOYSA-N 1 2 279.246 2.518 10 0 CFAELO Nc1ccc(NC(=O)c2csc(Br)c2)c[nH+]1 ZINC000226243236 527494737 /nfs/dbraw/zinc/49/47/37/527494737.db2.gz FBTOMJCBKBDLSR-UHFFFAOYSA-N 1 2 298.165 2.740 10 0 CFAELO Nc1c[nH+]ccc1NC(=O)c1cc(Cl)ccc1F ZINC000062725856 527537133 /nfs/dbraw/zinc/53/71/33/527537133.db2.gz AVFYGADLQHGKPW-UHFFFAOYSA-N 1 2 265.675 2.709 10 0 CFAELO Nc1nc(-c2ccc(O)c(Cl)c2)[nH+]c2c1CCC2 ZINC000050866212 527540439 /nfs/dbraw/zinc/54/04/39/527540439.db2.gz LOOVKJCCMIRTDJ-UHFFFAOYSA-N 1 2 261.712 2.574 10 0 CFAELO Nc1[nH+]c2ccccc2cc1CSc1nccc(=O)[nH]1 ZINC000050837562 527561542 /nfs/dbraw/zinc/56/15/42/527561542.db2.gz XTGNPKMHQUPYHX-UHFFFAOYSA-N 1 2 284.344 2.605 10 0 CFAELO OC[C@H]1CCC[N@H+](Cc2nc3sccc3c(Cl)n2)C1 ZINC000050840020 527615060 /nfs/dbraw/zinc/61/50/60/527615060.db2.gz MYDHVCOBAKVDLI-VIFPVBQESA-N 1 2 297.811 2.549 10 0 CFAELO OC[C@H]1CCC[N@@H+](Cc2nc3sccc3c(Cl)n2)C1 ZINC000050840020 527615064 /nfs/dbraw/zinc/61/50/64/527615064.db2.gz MYDHVCOBAKVDLI-VIFPVBQESA-N 1 2 297.811 2.549 10 0 CFAELO CCCc1nc(C[N@@H+]2CCC[C@@H](C(C)=O)C2)cs1 ZINC000111690050 618049078 /nfs/dbraw/zinc/04/90/78/618049078.db2.gz XEHBZCGBGQDFPF-GFCCVEGCSA-N 1 2 266.410 2.897 10 0 CFAELO CCCc1nc(C[N@H+]2CCC[C@@H](C(C)=O)C2)cs1 ZINC000111690050 618049080 /nfs/dbraw/zinc/04/90/80/618049080.db2.gz XEHBZCGBGQDFPF-GFCCVEGCSA-N 1 2 266.410 2.897 10 0 CFAELO CC(=O)[C@@H]1CCC[N@H+](Cc2ncccc2Br)C1 ZINC000310457811 618297738 /nfs/dbraw/zinc/29/77/38/618297738.db2.gz UXZHROGMVYQQMI-LLVKDONJSA-N 1 2 297.196 2.645 10 0 CFAELO CC(=O)[C@@H]1CCC[N@@H+](Cc2ncccc2Br)C1 ZINC000310457811 618297743 /nfs/dbraw/zinc/29/77/43/618297743.db2.gz UXZHROGMVYQQMI-LLVKDONJSA-N 1 2 297.196 2.645 10 0 CFAELO CCn1cc[nH+]c1Cn1nc(Cl)c2ccccc21 ZINC000180102763 618858224 /nfs/dbraw/zinc/85/82/24/618858224.db2.gz KQKYQGLNQHYJHO-UHFFFAOYSA-N 1 2 260.728 2.954 10 0 CFAELO Cc1cnc([C@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)o1 ZINC000230644334 623287879 /nfs/dbraw/zinc/28/78/79/623287879.db2.gz VDQPSVNBUZKQLB-JOYOIKCWSA-N 1 2 282.290 2.645 10 0 CFAELO Cn1nc(C[NH2+][C@H]2COc3ccccc32)c2ccccc21 ZINC000112838541 635428434 /nfs/dbraw/zinc/42/84/34/635428434.db2.gz YZJGTTINOZDGAE-HNNXBMFYSA-N 1 2 279.343 2.797 10 0 CFAELO CCCCCC[C@H](CC)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000116725078 636560987 /nfs/dbraw/zinc/56/09/87/636560987.db2.gz PJWCDEYLFBKLAN-HOTGVXAUSA-N 1 2 298.471 2.820 10 0 CFAELO Cc1cc(NC(=O)[C@@H]2CCCO[C@@H]2C(C)C)c(C)c[nH+]1 ZINC000886043423 646838255 /nfs/dbraw/zinc/83/82/55/646838255.db2.gz BWMYATPKTWUALJ-UKRRQHHQSA-N 1 2 276.380 2.510 10 0 CFAELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(C)o1 ZINC000125383234 187182969 /nfs/dbraw/zinc/18/29/69/187182969.db2.gz FKTPVZGNVOBHJL-NWDGAFQWSA-N 1 2 290.367 2.512 10 0 CFAELO CCC(=O)Nc1cc(N)ccc1[N@@H+]1CCCC[C@@H]1C ZINC000226253489 136386514 /nfs/dbraw/zinc/38/65/14/136386514.db2.gz GUNLSSQEKCBCEQ-NSHDSACASA-N 1 2 261.369 2.996 10 0 CFAELO CCC(=O)Nc1cc(N)ccc1[N@H+]1CCCC[C@@H]1C ZINC000226253489 136386515 /nfs/dbraw/zinc/38/65/15/136386515.db2.gz GUNLSSQEKCBCEQ-NSHDSACASA-N 1 2 261.369 2.996 10 0 CFAELO CCC(=O)Nc1cc(N)ccc1[NH+]1CCC(C)CC1 ZINC000226253515 136386648 /nfs/dbraw/zinc/38/66/48/136386648.db2.gz BDMVJFKHYNYPLP-UHFFFAOYSA-N 1 2 261.369 2.854 10 0 CFAELO C[C@@H]([NH2+]Cc1cnn[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000296357792 539512233 /nfs/dbraw/zinc/51/22/33/539512233.db2.gz RPVKNTRZMWDQTD-LLVKDONJSA-N 1 2 258.369 2.953 10 0 CFAELO C[C@@H]([NH2+]Cc1c[nH]nn1)c1ccc(C(C)(C)C)cc1 ZINC000296357792 539512236 /nfs/dbraw/zinc/51/22/36/539512236.db2.gz RPVKNTRZMWDQTD-LLVKDONJSA-N 1 2 258.369 2.953 10 0 CFAELO C[C@@H]([NH2+]Cc1cn[nH]n1)c1ccc(C(C)(C)C)cc1 ZINC000296357792 539512246 /nfs/dbraw/zinc/51/22/46/539512246.db2.gz RPVKNTRZMWDQTD-LLVKDONJSA-N 1 2 258.369 2.953 10 0 CFAELO Nc1nc(N)c2c([nH+]1)sc1c2-c2ccccc2CC1 ZINC000032267349 346301431 /nfs/dbraw/zinc/30/14/31/346301431.db2.gz KDAXQVSJZRCYBD-UHFFFAOYSA-N 1 2 268.345 2.621 10 0 CFAELO CCc1c[nH]c([C@H]2Cc3ccccc3N2C(C)=O)[nH+]1 ZINC000038222450 346337794 /nfs/dbraw/zinc/33/77/94/346337794.db2.gz ORZUSVAGWFVVKM-CQSZACIVSA-N 1 2 255.321 2.622 10 0 CFAELO C[N@@H+]1CCN2c3c(O)cccc3Cc3ccccc3[C@H]2C1 ZINC000058615824 346647412 /nfs/dbraw/zinc/64/74/12/346647412.db2.gz WUHSITNVPGCMRK-MRXNPFEDSA-N 1 2 280.371 2.790 10 0 CFAELO C[N@H+]1CCN2c3c(O)cccc3Cc3ccccc3[C@H]2C1 ZINC000058615824 346647414 /nfs/dbraw/zinc/64/74/14/346647414.db2.gz WUHSITNVPGCMRK-MRXNPFEDSA-N 1 2 280.371 2.790 10 0 CFAELO CCc1nn(C)cc1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000092959556 347655224 /nfs/dbraw/zinc/65/52/24/347655224.db2.gz ZVSBJVXBKSXVHI-UHFFFAOYSA-N 1 2 273.384 2.682 10 0 CFAELO O=C1Nc2ccccc2[C@@H]1CCNc1cc[nH+]c(C2CC2)n1 ZINC000110115109 347747675 /nfs/dbraw/zinc/74/76/75/347747675.db2.gz SCGKHPJHNICDFE-ZDUSSCGKSA-N 1 2 294.358 2.892 10 0 CFAELO CC(C)N(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000086425717 179292173 /nfs/dbraw/zinc/29/21/73/179292173.db2.gz WJICERUQYLOUIG-ZDUSSCGKSA-N 1 2 286.379 2.983 10 0 CFAELO CNc1nc(NCc2ccccc2)c(Br)c[nH+]1 ZINC000128361716 347850366 /nfs/dbraw/zinc/85/03/66/347850366.db2.gz YGIISCYOXQFXSI-UHFFFAOYSA-N 1 2 293.168 2.893 10 0 CFAELO COc1cc([C@H](C)[NH2+]CC(F)F)cc(OC)c1OC ZINC000136568640 347910755 /nfs/dbraw/zinc/91/07/55/347910755.db2.gz CELSZLZTKCQXAC-QMMMGPOBSA-N 1 2 275.295 2.628 10 0 CFAELO Cc1cc(Br)cc(/[NH+]=C/N(C)C)c1C#N ZINC000213527521 348160752 /nfs/dbraw/zinc/16/07/52/348160752.db2.gz KCQGMOKFIJGVQV-VGOFMYFVSA-N 1 2 266.142 2.851 10 0 CFAELO Cc1c(Cc2c[nH]c[nH+]2)cccc1C1=NC(C)(C)CO1 ZINC000225905714 348180663 /nfs/dbraw/zinc/18/06/63/348180663.db2.gz YZEWAXQSKIAOOD-UHFFFAOYSA-N 1 2 269.348 2.864 10 0 CFAELO Cc1nc(N[C@H]2C[C@H]2C)c(Br)c(C)[nH+]1 ZINC000306335102 348386658 /nfs/dbraw/zinc/38/66/58/348386658.db2.gz GGDPIFGCCCHYDC-XRGYYRRGSA-N 1 2 256.147 2.676 10 0 CFAELO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000188965571 539623506 /nfs/dbraw/zinc/62/35/06/539623506.db2.gz NYJOWMKATDIFNQ-VHSXEESVSA-N 1 2 289.301 2.580 10 0 CFAELO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000188965571 539623511 /nfs/dbraw/zinc/62/35/11/539623511.db2.gz NYJOWMKATDIFNQ-VHSXEESVSA-N 1 2 289.301 2.580 10 0 CFAELO CC(C)(C)[C@@H](O)C[NH2+]CC(F)(F)c1ccccc1 ZINC000324589271 348439831 /nfs/dbraw/zinc/43/98/31/348439831.db2.gz DCDXNTZOIPHNGY-LBPRGKRZSA-N 1 2 257.324 2.775 10 0 CFAELO CC(C)c1nccnc1NCCCCn1cc[nH+]c1 ZINC000584825999 348719603 /nfs/dbraw/zinc/71/96/03/348719603.db2.gz GSLHVXGFGSEBHB-UHFFFAOYSA-N 1 2 259.357 2.689 10 0 CFAELO Nc1c[nH+]c2c(Cl)cc(Br)cc2c1N ZINC000584882586 348725642 /nfs/dbraw/zinc/72/56/42/348725642.db2.gz LDKSRRPJAJHYQP-UHFFFAOYSA-N 1 2 272.533 2.815 10 0 CFAELO O=C(C[C@H]1c2ccccc2-c2c[nH+]cn21)C1CCC(O)CC1 ZINC000584603616 348687078 /nfs/dbraw/zinc/68/70/78/348687078.db2.gz IXDPZAKXMLTWHY-ZUEPYMLJSA-N 1 2 296.370 2.963 10 0 CFAELO C[NH2+]CC1=N[C@H](c2ccccc2)N(Cc2ccccc2)O1 ZINC000584613904 348690175 /nfs/dbraw/zinc/69/01/75/348690175.db2.gz NCZCFAKVFMGTIR-KRWDZBQOSA-N 1 2 281.359 2.751 10 0 CFAELO CN1N(C[NH+]2CCCCC2)[C@]1(C)Cc1ccccc1 ZINC000584651651 348701957 /nfs/dbraw/zinc/70/19/57/348701957.db2.gz ZWOSYGQWRPJGFB-LRYGQEGESA-N 1 2 259.397 2.551 10 0 CFAELO COCCN1CC[N@@H+]([C@@H](C)c2ccccc2F)C[C@H]1C ZINC000106107617 186102804 /nfs/dbraw/zinc/10/28/04/186102804.db2.gz UZERXSPUBHFSEM-KGLIPLIRSA-N 1 2 280.387 2.539 10 0 CFAELO COCCN1CC[N@H+]([C@@H](C)c2ccccc2F)C[C@H]1C ZINC000106107617 186102806 /nfs/dbraw/zinc/10/28/06/186102806.db2.gz UZERXSPUBHFSEM-KGLIPLIRSA-N 1 2 280.387 2.539 10 0 CFAELO CC[C@@H](O)C[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000106384870 186111888 /nfs/dbraw/zinc/11/18/88/186111888.db2.gz HBIANCJKOQIRLL-NEPJUHHUSA-N 1 2 298.452 2.585 10 0 CFAELO CC[C@@H](O)C[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000106384870 186111890 /nfs/dbraw/zinc/11/18/90/186111890.db2.gz HBIANCJKOQIRLL-NEPJUHHUSA-N 1 2 298.452 2.585 10 0 CFAELO COC(=O)c1csc(C[NH2+][C@@H](C)c2ncc(C)o2)c1 ZINC000602591928 350938033 /nfs/dbraw/zinc/93/80/33/350938033.db2.gz NLVYXKXUNNUHLQ-VIFPVBQESA-N 1 2 280.349 2.682 10 0 CFAELO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nnnn2-c2ccccc2)o1 ZINC000123381219 187088571 /nfs/dbraw/zinc/08/85/71/187088571.db2.gz WEYSEPNECLCLBY-QWHCGFSZSA-N 1 2 297.362 2.976 10 0 CFAELO CC(C)(C)OC(=O)N1CCC[C@H](n2cc[nH+]c2)CC1 ZINC000616630158 352391567 /nfs/dbraw/zinc/39/15/67/352391567.db2.gz QOTZRTAUFMGKBK-LBPRGKRZSA-N 1 2 265.357 2.845 10 0 CFAELO CCOC(=O)N1CCc2ccccc2[C@@H]1c1ccc(N)[nH+]c1 ZINC000616677255 352409113 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284.363 2.888 10 0 CFAELO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nnc(C3CC3)n2C)n1 ZINC000178668316 380475741 /nfs/dbraw/zinc/47/57/41/380475741.db2.gz QAYMVAOZVURZHG-HNNXBMFYSA-N 1 2 297.406 2.733 10 0 CFAELO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nnc(C3CC3)n2C)n1 ZINC000178668316 380475748 /nfs/dbraw/zinc/47/57/48/380475748.db2.gz QAYMVAOZVURZHG-HNNXBMFYSA-N 1 2 297.406 2.733 10 0 CFAELO CCn1c(C)nnc1COc1cc[nH+]c2cc(OC)ccc21 ZINC000180388840 380651527 /nfs/dbraw/zinc/65/15/27/380651527.db2.gz AHVPNERJCDZCOX-UHFFFAOYSA-N 1 2 298.346 2.742 10 0 CFAELO CCOC(=O)[C@@H](CC(C)C)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000182108592 380992105 /nfs/dbraw/zinc/99/21/05/380992105.db2.gz PTAIMHYIAYMOJX-OAHLLOKOSA-N 1 2 293.411 2.567 10 0 CFAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1cccc(Cl)c1 ZINC000184165966 381378606 /nfs/dbraw/zinc/37/86/06/381378606.db2.gz DUKKWJQUYIKGGH-CQSZACIVSA-N 1 2 296.798 2.779 10 0 CFAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1cccc(Cl)c1 ZINC000184165966 381378610 /nfs/dbraw/zinc/37/86/10/381378610.db2.gz 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LSULGRXWMBGLIH-HXUWFJFHSA-N 1 2 291.420 2.690 10 0 CFAELO CC(C)c1cc(N(CCO)C(C)C)nc(C(C)C)[nH+]1 ZINC000302823705 382328419 /nfs/dbraw/zinc/32/84/19/382328419.db2.gz LJQSKYJJNKTYOK-UHFFFAOYSA-N 1 2 265.401 2.931 10 0 CFAELO Cc1cc(C[N@@H+]2CCN3CCCC[C@H]3C2)cs1 ZINC000294239905 382473045 /nfs/dbraw/zinc/47/30/45/382473045.db2.gz PCNHGCXDSUFBBT-AWEZNQCLSA-N 1 2 250.411 2.727 10 0 CFAELO Cc1cc(C)c(CNc2nccnc2C(C)C)c[nH+]1 ZINC000413329334 291807036 /nfs/dbraw/zinc/80/70/36/291807036.db2.gz XIINSUYPSITRNM-UHFFFAOYSA-N 1 2 256.353 2.646 10 0 CFAELO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000189819178 382641798 /nfs/dbraw/zinc/64/17/98/382641798.db2.gz IYEJHLBEQCGVIB-QGZVFWFLSA-N 1 2 297.402 2.581 10 0 CFAELO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000189819178 382641799 /nfs/dbraw/zinc/64/17/99/382641799.db2.gz IYEJHLBEQCGVIB-QGZVFWFLSA-N 1 2 297.402 2.581 10 0 CFAELO C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000190807044 382681028 /nfs/dbraw/zinc/68/10/28/382681028.db2.gz RELDZTPLBYYWCW-SMDDNHRTSA-N 1 2 285.347 2.830 10 0 CFAELO CCn1cc[nH+]c1CS(=O)(=O)C(CC)(CC)CC ZINC000190855173 382682961 /nfs/dbraw/zinc/68/29/61/382682961.db2.gz BCRVKUBFLRHJNS-UHFFFAOYSA-N 1 2 272.414 2.787 10 0 CFAELO CCn1cc[nH+]c1CN(C)c1cc(OC)cc(OC)c1 ZINC000191263842 382697337 /nfs/dbraw/zinc/69/73/37/382697337.db2.gz LTZPRFNRHZSLCI-UHFFFAOYSA-N 1 2 275.352 2.557 10 0 CFAELO Cc1cnc(CNc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)o1 ZINC000192738499 382711711 /nfs/dbraw/zinc/71/17/11/382711711.db2.gz MSOFEXZFCVROIM-LLVKDONJSA-N 1 2 287.367 2.621 10 0 CFAELO Cc1cnc(CNc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)o1 ZINC000192738499 382711712 /nfs/dbraw/zinc/71/17/12/382711712.db2.gz MSOFEXZFCVROIM-LLVKDONJSA-N 1 2 287.367 2.621 10 0 CFAELO CCc1ccc([C@@H](C)[NH2+]Cc2nc(N(C)C)no2)cc1 ZINC000192777582 382712143 /nfs/dbraw/zinc/71/21/43/382712143.db2.gz ZYPGUYRMEVXDHV-LLVKDONJSA-N 1 2 274.368 2.549 10 0 CFAELO CCCCOC[C@@H](O)Cn1c(CC)[nH+]c2ccccc21 ZINC000193254264 382717661 /nfs/dbraw/zinc/71/76/61/382717661.db2.gz IHPLRXCXEXIPCH-ZDUSSCGKSA-N 1 2 276.380 2.776 10 0 CFAELO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2nccs2)cn1 ZINC000195373041 382766976 /nfs/dbraw/zinc/76/69/76/382766976.db2.gz CHYZZCREPMDLPF-GFCCVEGCSA-N 1 2 262.382 2.604 10 0 CFAELO Cn1cc(C[N@H+]2CCCC[C@@H]2c2nccs2)cn1 ZINC000195373041 382766978 /nfs/dbraw/zinc/76/69/78/382766978.db2.gz CHYZZCREPMDLPF-GFCCVEGCSA-N 1 2 262.382 2.604 10 0 CFAELO [NH3+][C@H](c1ccco1)c1ncsc1Br ZINC000575482194 382772971 /nfs/dbraw/zinc/77/29/71/382772971.db2.gz FASKNSYZTINKKD-ZCFIWIBFSA-N 1 2 259.128 2.547 10 0 CFAELO CNc1cc(-c2cc(F)ccc2Cl)[nH+]c(N)n1 ZINC000223304561 382805068 /nfs/dbraw/zinc/80/50/68/382805068.db2.gz NHZHZVUOXYOYIF-UHFFFAOYSA-N 1 2 252.680 2.560 10 0 CFAELO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 ZINC000232398298 382868724 /nfs/dbraw/zinc/86/87/24/382868724.db2.gz HOEAACPCJHAPJL-NKWVEPMBSA-N 1 2 289.162 2.765 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H](C)C(C)C)C2 ZINC000171978276 322418215 /nfs/dbraw/zinc/41/82/15/322418215.db2.gz ZZQYEDNFYZPEHE-GFCCVEGCSA-N 1 2 277.412 2.720 10 0 CFAELO Cc1noc([C@@H]2COCC[N@H+]2C[C@H]2CCC[C@@H](C)C2)n1 ZINC000249275566 383337262 /nfs/dbraw/zinc/33/72/62/383337262.db2.gz CYEFAYHQBIEYPD-XBFCOCLRSA-N 1 2 279.384 2.578 10 0 CFAELO Cc1noc([C@@H]2COCC[N@@H+]2C[C@H]2CCC[C@@H](C)C2)n1 ZINC000249275566 383337265 /nfs/dbraw/zinc/33/72/65/383337265.db2.gz CYEFAYHQBIEYPD-XBFCOCLRSA-N 1 2 279.384 2.578 10 0 CFAELO CCCC[C@@H](CC)C[N@@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000248882453 383302717 /nfs/dbraw/zinc/30/27/17/383302717.db2.gz PEJFYVMXVTZQLX-ZIAGYGMSSA-N 1 2 280.416 2.703 10 0 CFAELO CCCC[C@@H](CC)C[N@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000248882453 383302722 /nfs/dbraw/zinc/30/27/22/383302722.db2.gz PEJFYVMXVTZQLX-ZIAGYGMSSA-N 1 2 280.416 2.703 10 0 CFAELO N#CC(=NNc1ccc(F)cc1)C(=[NH2+])N1CCCCC1 ZINC000254438504 383467182 /nfs/dbraw/zinc/46/71/82/383467182.db2.gz WWBSPSFJRHDQLC-UHFFFAOYSA-N 1 2 273.315 2.580 10 0 CFAELO COC(=O)c1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)oc1C ZINC000255117602 383476091 /nfs/dbraw/zinc/47/60/91/383476091.db2.gz ANHQHHKWQWMYKZ-CABCVRRESA-N 1 2 293.363 2.518 10 0 CFAELO COC(=O)c1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)oc1C ZINC000255117602 383476094 /nfs/dbraw/zinc/47/60/94/383476094.db2.gz ANHQHHKWQWMYKZ-CABCVRRESA-N 1 2 293.363 2.518 10 0 CFAELO CCc1cc(N2CCc3c(nc(C(C)C)n3C)C2)nc(C)[nH+]1 ZINC000272841774 385631522 /nfs/dbraw/zinc/63/15/22/385631522.db2.gz IRTDETBJNRIPFB-UHFFFAOYSA-N 1 2 299.422 2.767 10 0 CFAELO Nc1nc(Nc2ccc(Br)cc2)cc[nH+]1 ZINC000001639690 169730992 /nfs/dbraw/zinc/73/09/92/169730992.db2.gz YSPCXIXCZGJVED-UHFFFAOYSA-N 1 2 265.114 2.565 10 0 CFAELO Cc1[nH+]cn(C)c1-c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000203801454 393749775 /nfs/dbraw/zinc/74/97/75/393749775.db2.gz WQFNMXOHDYOYSB-UHFFFAOYSA-N 1 2 251.673 2.957 10 0 CFAELO CC(C)n1cc[nH+]c1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000249892949 393926777 /nfs/dbraw/zinc/92/67/77/393926777.db2.gz QUZDRHCOZPRUBA-ZIAGYGMSSA-N 1 2 263.385 2.607 10 0 CFAELO CC(C)n1ccnc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000249892949 393926781 /nfs/dbraw/zinc/92/67/81/393926781.db2.gz QUZDRHCOZPRUBA-ZIAGYGMSSA-N 1 2 263.385 2.607 10 0 CFAELO CC(C)n1ccnc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000249892949 393926785 /nfs/dbraw/zinc/92/67/85/393926785.db2.gz QUZDRHCOZPRUBA-ZIAGYGMSSA-N 1 2 263.385 2.607 10 0 CFAELO Clc1ncc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)s1 ZINC000152358994 394276345 /nfs/dbraw/zinc/27/63/45/394276345.db2.gz PWMUNSHXDGBMIT-NSHDSACASA-N 1 2 295.795 2.845 10 0 CFAELO Clc1ncc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)s1 ZINC000152358994 394276347 /nfs/dbraw/zinc/27/63/47/394276347.db2.gz PWMUNSHXDGBMIT-NSHDSACASA-N 1 2 295.795 2.845 10 0 CFAELO CCCC[C@@H]([NH2+][C@H]1CCSC1)C(=O)OC(C)(C)C ZINC000154840630 394303464 /nfs/dbraw/zinc/30/34/64/394303464.db2.gz YCFAFVYPIXYHQS-NWDGAFQWSA-N 1 2 273.442 2.982 10 0 CFAELO CCn1c(C)nnc1C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000177829151 394384891 /nfs/dbraw/zinc/38/48/91/394384891.db2.gz NKOYILWRTBICAF-BLLLJJGKSA-N 1 2 270.380 2.799 10 0 CFAELO CCn1c(C)nnc1C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000177829151 394384895 /nfs/dbraw/zinc/38/48/95/394384895.db2.gz NKOYILWRTBICAF-BLLLJJGKSA-N 1 2 270.380 2.799 10 0 CFAELO Cc1cn[nH]c1C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000685612623 542933918 /nfs/dbraw/zinc/93/39/18/542933918.db2.gz IHFUUIDTBMNBNE-SECBINFHSA-N 1 2 251.280 2.847 10 0 CFAELO Cc1c[nH]nc1C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000685612623 542933919 /nfs/dbraw/zinc/93/39/19/542933919.db2.gz IHFUUIDTBMNBNE-SECBINFHSA-N 1 2 251.280 2.847 10 0 CFAELO C[C@@H]([NH2+]Cc1nsc(N(C)C)n1)c1cccs1 ZINC000182544818 543031084 /nfs/dbraw/zinc/03/10/84/543031084.db2.gz CXFXOCISZHLBOT-MRVPVSSYSA-N 1 2 268.411 2.516 10 0 CFAELO CCc1nnc(C[NH2+][C@@H](C)c2ccc(Cl)s2)n1C ZINC000182994840 543034447 /nfs/dbraw/zinc/03/44/47/543034447.db2.gz CJOMDOROFFDACD-QMMMGPOBSA-N 1 2 284.816 2.943 10 0 CFAELO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCCc2cc(F)ccc21 ZINC000193726611 543091024 /nfs/dbraw/zinc/09/10/24/543091024.db2.gz KITYKQBMZHTGOB-HNNXBMFYSA-N 1 2 287.338 2.675 10 0 CFAELO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCCc2cc(F)ccc21 ZINC000193726611 543091027 /nfs/dbraw/zinc/09/10/27/543091027.db2.gz KITYKQBMZHTGOB-HNNXBMFYSA-N 1 2 287.338 2.675 10 0 CFAELO Cc1c[nH]c(C[NH2+][C@@H](C)c2cc(F)ccc2F)n1 ZINC000657300713 413417435 /nfs/dbraw/zinc/41/74/35/413417435.db2.gz LAWHJWGONUDSJX-VIFPVBQESA-N 1 2 251.280 2.847 10 0 CFAELO O=c1[nH]c2cccc3c2n1C[C@H](c1ccccc1)[NH2+]C3 ZINC000006582214 170215645 /nfs/dbraw/zinc/21/56/45/170215645.db2.gz UHTVNMQZJAMHQL-CQSZACIVSA-N 1 2 265.316 2.586 10 0 CFAELO COC(=O)c1occc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000035230422 172070752 /nfs/dbraw/zinc/07/07/52/172070752.db2.gz TTXOSKGLQXNDAK-CYBMUJFWSA-N 1 2 287.315 2.680 10 0 CFAELO COC(=O)[C@@H]([NH2+][C@H](C)c1cccc(OC)c1)C(C)C ZINC000035346487 172138885 /nfs/dbraw/zinc/13/88/85/172138885.db2.gz JOQZDFIXKVALFN-RISCZKNCSA-N 1 2 265.353 2.543 10 0 CFAELO CC(C)(C)c1nc(CSc2ccc(N)[nH+]c2)no1 ZINC000037192163 173020816 /nfs/dbraw/zinc/02/08/16/173020816.db2.gz LEPQABBEUVRBFX-UHFFFAOYSA-N 1 2 264.354 2.637 10 0 CFAELO Nc1ccc(SCc2nccn2C(F)F)c[nH+]1 ZINC000037192210 173021556 /nfs/dbraw/zinc/02/15/56/173021556.db2.gz DXTMXGCFZQEKPW-UHFFFAOYSA-N 1 2 256.281 2.548 10 0 CFAELO C[C@@H](Sc1ccc(N)[nH+]c1)C(=O)Nc1ccccc1 ZINC000037192572 173022410 /nfs/dbraw/zinc/02/24/10/173022410.db2.gz IENPXYMPOYRNRV-SNVBAGLBSA-N 1 2 273.361 2.783 10 0 CFAELO Cc1ccc(C[NH2+]Cc2nc(=O)c3sccc3[nH]2)cc1 ZINC000037328660 173129086 /nfs/dbraw/zinc/12/90/86/173129086.db2.gz YTHKMQYVHPPIGA-UHFFFAOYSA-N 1 2 285.372 2.583 10 0 CFAELO COC(=O)[C@@](C)([NH2+]C(C)C)c1c(C)cc(C)cc1C ZINC000037445715 173212986 /nfs/dbraw/zinc/21/29/86/173212986.db2.gz QHVLNEUOMFOULP-INIZCTEOSA-N 1 2 263.381 2.998 10 0 CFAELO CCC[NH2+][C@@](CC)(C(=O)OCC)c1ccc(O)cc1 ZINC000037513470 173244705 /nfs/dbraw/zinc/24/47/05/173244705.db2.gz AVSAKQODIVGFTE-OAHLLOKOSA-N 1 2 265.353 2.560 10 0 CFAELO CC[C@H]([NH2+]Cc1nc(C)no1)c1ccc2c(c1)CCO2 ZINC000038034007 174032322 /nfs/dbraw/zinc/03/23/22/174032322.db2.gz RPMYEZQMBHAIGE-ZDUSSCGKSA-N 1 2 273.336 2.554 10 0 CFAELO CC[C@H](C)[NH2+][C@@](C)(C(=O)OC)c1ccc(F)cc1 ZINC000038066597 174077590 /nfs/dbraw/zinc/07/75/90/174077590.db2.gz ZURZSNFUKOFMJV-IINYFYTJSA-N 1 2 253.317 2.602 10 0 CFAELO CC[C@@H](C)[NH2+][C@]1(C(=O)OC)CCCc2ccccc21 ZINC000038066816 174078536 /nfs/dbraw/zinc/07/85/36/174078536.db2.gz ZHGLHVVEEWLKSZ-MLGOLLRUSA-N 1 2 261.365 2.779 10 0 CFAELO CCOc1ccc([C@H]([NH2+][C@H](C)CC)C(=O)OC)cc1 ZINC000038067218 174079069 /nfs/dbraw/zinc/07/90/69/174079069.db2.gz NOPHZKBQDOWPKC-RISCZKNCSA-N 1 2 265.353 2.688 10 0 CFAELO CC(C)c1[nH+]c2ccccc2n1CC(=O)N1CCCC1 ZINC000040231393 174210089 /nfs/dbraw/zinc/21/00/89/174210089.db2.gz KPFOLRHVAJJJKH-UHFFFAOYSA-N 1 2 271.364 2.782 10 0 CFAELO CCOC1CC[NH+](CC(=O)c2cccc(F)c2)CC1 ZINC000040689717 174376582 /nfs/dbraw/zinc/37/65/82/174376582.db2.gz XOUZTPDSLYPNLC-UHFFFAOYSA-N 1 2 265.328 2.509 10 0 CFAELO Cc1ccc(Nc2[nH+]cnc(N(C)C)c2N)cc1Cl ZINC000040703557 174378916 /nfs/dbraw/zinc/37/89/16/174378916.db2.gz QFVMJDNOASBNBO-UHFFFAOYSA-N 1 2 277.759 2.830 10 0 CFAELO Cc1ccc(Nc2nc[nH+]c(N(C)C)c2N)cc1Cl ZINC000040703557 174378918 /nfs/dbraw/zinc/37/89/18/174378918.db2.gz QFVMJDNOASBNBO-UHFFFAOYSA-N 1 2 277.759 2.830 10 0 CFAELO Nc1[nH+]cnc(Nc2cc(Cl)cc(Cl)c2)c1N ZINC000040700874 174379185 /nfs/dbraw/zinc/37/91/85/174379185.db2.gz GFQSVOMXSPVDNP-UHFFFAOYSA-N 1 2 270.123 2.691 10 0 CFAELO CNc1[nH+]cnc(Nc2cccc3ccc(C)nc32)c1N ZINC000040706913 174379583 /nfs/dbraw/zinc/37/95/83/174379583.db2.gz CNPQSGNVELTUKE-UHFFFAOYSA-N 1 2 280.335 2.701 10 0 CFAELO CCCNc1[nH+]cnc(N(C)c2ccccc2)c1N ZINC000040707711 174379961 /nfs/dbraw/zinc/37/99/61/174379961.db2.gz VWFRQEXFFIMSKG-UHFFFAOYSA-N 1 2 257.341 2.649 10 0 CFAELO CCCNc1nc[nH+]c(N(C)c2ccccc2)c1N ZINC000040707711 174379962 /nfs/dbraw/zinc/37/99/62/174379962.db2.gz VWFRQEXFFIMSKG-UHFFFAOYSA-N 1 2 257.341 2.649 10 0 CFAELO COc1ccccc1Nc1nc[nH+]c(NC(C)C)c1N ZINC000040708169 174380005 /nfs/dbraw/zinc/38/00/05/174380005.db2.gz RUNRUWFMAVWVLZ-UHFFFAOYSA-N 1 2 273.340 2.631 10 0 CFAELO Cc1cc(C)n(-c2nc[nH+]c(NC3CCCCC3)c2N)n1 ZINC000040708808 174380345 /nfs/dbraw/zinc/38/03/45/174380345.db2.gz ILIBDDMCORMLDN-UHFFFAOYSA-N 1 2 286.383 2.606 10 0 CFAELO CCN(CC)c1[nH+]cnc(NCc2ccc(C)cc2)c1N ZINC000040723251 174385689 /nfs/dbraw/zinc/38/56/89/174385689.db2.gz CHCJUIPYAJITFH-UHFFFAOYSA-N 1 2 285.395 2.826 10 0 CFAELO CCN(CC)c1nc[nH+]c(Nc2ccc(F)c(F)c2)c1N ZINC000040723344 174386292 /nfs/dbraw/zinc/38/62/92/174386292.db2.gz VMEINRLJKVGAAH-UHFFFAOYSA-N 1 2 293.321 2.927 10 0 CFAELO CCN(CC)c1[nH+]cnc(Nc2ccc(F)c(F)c2)c1N ZINC000040723344 174386293 /nfs/dbraw/zinc/38/62/93/174386293.db2.gz VMEINRLJKVGAAH-UHFFFAOYSA-N 1 2 293.321 2.927 10 0 CFAELO COc1cc(OC)c([C@H]([NH3+])c2nc(C)cs2)c(OC)c1 ZINC000041181943 174505789 /nfs/dbraw/zinc/50/57/89/174505789.db2.gz WMWROXSLZVQBJH-ZDUSSCGKSA-N 1 2 294.376 2.525 10 0 CFAELO CC(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(Cl)c1 ZINC000041534303 174565685 /nfs/dbraw/zinc/56/56/85/174565685.db2.gz ZPIPBYFJEICFHV-CYBMUJFWSA-N 1 2 291.782 2.935 10 0 CFAELO CCN(c1[nH+]c(C)ccc1C(N)=S)C1CCCC1 ZINC000043396673 175036283 /nfs/dbraw/zinc/03/62/83/175036283.db2.gz FIVSWZCWSGMPCR-UHFFFAOYSA-N 1 2 263.410 2.793 10 0 CFAELO CCCN(c1[nH+]c(C)ccc1C(N)=S)C(C)C ZINC000043396612 175036480 /nfs/dbraw/zinc/03/64/80/175036480.db2.gz DVWDURSUKRPSKQ-UHFFFAOYSA-N 1 2 251.399 2.649 10 0 CFAELO CCCN(CC(F)(F)F)c1[nH+]c(C)ccc1C(N)=S ZINC000043398514 175036589 /nfs/dbraw/zinc/03/65/89/175036589.db2.gz IPXVZTRFJUZBTC-UHFFFAOYSA-N 1 2 291.342 2.803 10 0 CFAELO [NH3+]CC1([N@H+]2CCO[C@H]3CCC[C@@H]32)CCCCCCC1 ZINC000043424619 175040288 /nfs/dbraw/zinc/04/02/88/175040288.db2.gz BBLFBQHQUWYWGA-GJZGRUSLSA-N 1 2 266.429 2.682 10 0 CFAELO COC(=O)[C@@H](NC1=[NH+]C[C@@H](c2ccccc2)S1)C(C)C ZINC000043436748 175045356 /nfs/dbraw/zinc/04/53/56/175045356.db2.gz AMBRKEFZOBFBBW-STQMWFEESA-N 1 2 292.404 2.618 10 0 CFAELO COC(=O)[C@@H](NC1=[NH+]C[C@H](c2ccccc2)S1)C(C)C ZINC000043436745 175045517 /nfs/dbraw/zinc/04/55/17/175045517.db2.gz AMBRKEFZOBFBBW-OLZOCXBDSA-N 1 2 292.404 2.618 10 0 CFAELO Nc1ccc(NCCCn2cc[nH+]c2)c(Br)c1 ZINC000043596662 175076424 /nfs/dbraw/zinc/07/64/24/175076424.db2.gz QMXXNMABNIYDJH-UHFFFAOYSA-N 1 2 295.184 2.730 10 0 CFAELO CCOC(=O)[C@@H](C)C[NH2+]c1ccc(OC)c(C)c1 ZINC000043613880 175078883 /nfs/dbraw/zinc/07/88/83/175078883.db2.gz ZSXINCROPXXICF-NSHDSACASA-N 1 2 251.326 2.615 10 0 CFAELO CCOc1ccc([C@@H](C)O)cc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000044132220 175144968 /nfs/dbraw/zinc/14/49/68/175144968.db2.gz CICCGZPSNBBGKV-BFHYXJOUSA-N 1 2 293.407 2.748 10 0 CFAELO CCOc1ccc([C@@H](C)O)cc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000044132220 175144969 /nfs/dbraw/zinc/14/49/69/175144969.db2.gz CICCGZPSNBBGKV-BFHYXJOUSA-N 1 2 293.407 2.748 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H]2CCC[C@@H](C)C2)c1N ZINC000044590506 175212542 /nfs/dbraw/zinc/21/25/42/175212542.db2.gz XLHMENIUKCIZTM-MWLCHTKSSA-N 1 2 265.357 2.702 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H](C)Cc2ccsc2)c1N ZINC000044591447 175213056 /nfs/dbraw/zinc/21/30/56/175213056.db2.gz VOVAMJBCZDDDRY-VIFPVBQESA-N 1 2 293.392 2.816 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H](C)CCc2ccco2)c1N ZINC000044591444 175213127 /nfs/dbraw/zinc/21/31/27/175213127.db2.gz UETGNAKRAZFHPQ-SNVBAGLBSA-N 1 2 291.351 2.737 10 0 CFAELO COCCCC[NH2+]c1ccc(N)cc1Br ZINC000044656819 175225814 /nfs/dbraw/zinc/22/58/14/175225814.db2.gz SOESSAUTJUDZGG-UHFFFAOYSA-N 1 2 273.174 2.870 10 0 CFAELO Cc1cc(CN[C@H](c2cccs2)c2[nH+]ccn2C)no1 ZINC000044692842 175233958 /nfs/dbraw/zinc/23/39/58/175233958.db2.gz KYVFXLLKYATJAL-CYBMUJFWSA-N 1 2 288.376 2.657 10 0 CFAELO COC(=O)[C@@H]([NH2+][C@H]1CCCc2cc(O)ccc21)C(C)C ZINC000044747052 175242432 /nfs/dbraw/zinc/24/24/32/175242432.db2.gz KDHIVYOANAQCBS-GJZGRUSLSA-N 1 2 277.364 2.557 10 0 CFAELO NC(=O)c1cc(N)ccc1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045091949 175306414 /nfs/dbraw/zinc/30/64/14/175306414.db2.gz CZAJNXQQQSTNDO-CQSZACIVSA-N 1 2 273.380 2.527 10 0 CFAELO NC(=O)c1cc(N)ccc1[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045091949 175306415 /nfs/dbraw/zinc/30/64/15/175306415.db2.gz CZAJNXQQQSTNDO-CQSZACIVSA-N 1 2 273.380 2.527 10 0 CFAELO CCOC(=O)[C@](C)(CCN(CC)c1ccccc1C)[NH2+]C ZINC000045223084 175331317 /nfs/dbraw/zinc/33/13/17/175331317.db2.gz STSDIPKQFMAKCO-KRWDZBQOSA-N 1 2 292.423 2.753 10 0 CFAELO CCOC(=O)[C@@H](CN(CC)c1ccccc1C)[NH2+]C(C)C ZINC000045369812 175363969 /nfs/dbraw/zinc/36/39/69/175363969.db2.gz OQYOPBYJTBXBAQ-OAHLLOKOSA-N 1 2 292.423 2.751 10 0 CFAELO COC(=O)[C@H](C)Oc1cc[nH+]c2c(C)c(C)ccc12 ZINC000045928137 175386966 /nfs/dbraw/zinc/38/69/66/175386966.db2.gz AALMOPUCUSLOHC-NSHDSACASA-N 1 2 259.305 2.792 10 0 CFAELO CCOC(=O)c1c[nH+]c2cc(Cl)c(C)cc2c1N ZINC000072237405 176346226 /nfs/dbraw/zinc/34/62/26/176346226.db2.gz UIKUPEVDUZIOQU-UHFFFAOYSA-N 1 2 264.712 2.956 10 0 CFAELO C[C@H]1COC[C@H](C)[NH+]1CC(=O)Nc1cccc2ccccc21 ZINC000077368303 177258359 /nfs/dbraw/zinc/25/83/59/177258359.db2.gz XHYYYCVYZPIPEV-KBPBESRZSA-N 1 2 298.386 2.888 10 0 CFAELO CCOC(=O)N1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000078503865 177348245 /nfs/dbraw/zinc/34/82/45/177348245.db2.gz VQACJTFIKILKNJ-UHFFFAOYSA-N 1 2 299.374 2.509 10 0 CFAELO CC[C@@](C)(O)C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000249313576 287394400 /nfs/dbraw/zinc/39/44/00/287394400.db2.gz FBINYQRFQVBVJM-HUUCEWRRSA-N 1 2 283.799 2.874 10 0 CFAELO CC[C@@](C)(O)C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000249313576 287394404 /nfs/dbraw/zinc/39/44/04/287394404.db2.gz FBINYQRFQVBVJM-HUUCEWRRSA-N 1 2 283.799 2.874 10 0 CFAELO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000391822378 270306012 /nfs/dbraw/zinc/30/60/12/270306012.db2.gz UMHYRTYEASMYBY-OLZOCXBDSA-N 1 2 258.369 2.844 10 0 CFAELO CNc1nc(N2CCCC[C@@H]2C)[nH+]cc1Br ZINC000130677608 277046068 /nfs/dbraw/zinc/04/60/68/277046068.db2.gz DEQSJHRUTFCSKH-QMMMGPOBSA-N 1 2 285.189 2.660 10 0 CFAELO CC(C)n1ccnc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000172272444 278134944 /nfs/dbraw/zinc/13/49/44/278134944.db2.gz HCKLAHUUEUZQKQ-AWEZNQCLSA-N 1 2 273.384 2.914 10 0 CFAELO CC(C)n1ccnc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000172272444 278134945 /nfs/dbraw/zinc/13/49/45/278134945.db2.gz HCKLAHUUEUZQKQ-AWEZNQCLSA-N 1 2 273.384 2.914 10 0 CFAELO CC(C)n1cc[nH+]c1CN1CCO[C@H]2CCCC[C@H]21 ZINC000249892940 278135860 /nfs/dbraw/zinc/13/58/60/278135860.db2.gz QUZDRHCOZPRUBA-KGLIPLIRSA-N 1 2 263.385 2.607 10 0 CFAELO CC(C)n1ccnc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249892940 278135861 /nfs/dbraw/zinc/13/58/61/278135861.db2.gz QUZDRHCOZPRUBA-KGLIPLIRSA-N 1 2 263.385 2.607 10 0 CFAELO CC(C)n1ccnc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249892940 278135864 /nfs/dbraw/zinc/13/58/64/278135864.db2.gz QUZDRHCOZPRUBA-KGLIPLIRSA-N 1 2 263.385 2.607 10 0 CFAELO C[C@@H]1CC[C@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)O1 ZINC000151236841 280801094 /nfs/dbraw/zinc/80/10/94/280801094.db2.gz JXSSDPDHLYQIOH-ZWNOBZJWSA-N 1 2 271.320 2.583 10 0 CFAELO CCn1nc(C)c([C@@H](C)[NH2+]Cc2nn(C)cc2Cl)c1C ZINC000393319772 281193120 /nfs/dbraw/zinc/19/31/20/281193120.db2.gz GBDIXDDOFXWFHP-SECBINFHSA-N 1 2 295.818 2.758 10 0 CFAELO CC[C@](C)(O)C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000249313573 281291905 /nfs/dbraw/zinc/29/19/05/281291905.db2.gz FBINYQRFQVBVJM-CABCVRRESA-N 1 2 283.799 2.874 10 0 CFAELO CC[C@](C)(O)C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000249313573 281291907 /nfs/dbraw/zinc/29/19/07/281291907.db2.gz FBINYQRFQVBVJM-CABCVRRESA-N 1 2 283.799 2.874 10 0 CFAELO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cc(F)ccc1F ZINC000176686953 290051202 /nfs/dbraw/zinc/05/12/02/290051202.db2.gz ASWZUVRGLREZFB-ZANVPECISA-N 1 2 278.306 2.742 10 0 CFAELO CCCNc1nc(C[C@@H]2CCCO2)[nH+]c2c1CCC2 ZINC000050848071 520187196 /nfs/dbraw/zinc/18/71/96/520187196.db2.gz ZWMKPNANUPSYRB-NSHDSACASA-N 1 2 261.369 2.509 10 0 CFAELO CCCNc1ncccc1C[N@@H+]1CCO[C@H](CC)C1 ZINC000052720769 520195618 /nfs/dbraw/zinc/19/56/18/520195618.db2.gz LGRCYWWSKIRCGO-CQSZACIVSA-N 1 2 263.385 2.514 10 0 CFAELO CCCNc1ncccc1C[N@H+]1CCO[C@H](CC)C1 ZINC000052720769 520195623 /nfs/dbraw/zinc/19/56/23/520195623.db2.gz LGRCYWWSKIRCGO-CQSZACIVSA-N 1 2 263.385 2.514 10 0 CFAELO CCc1cc(NN)[nH+]c(-c2ccc([C@@H]3C[C@H]3C)o2)n1 ZINC000051168804 517844841 /nfs/dbraw/zinc/84/48/41/517844841.db2.gz XVHQRQPATPROFT-PSASIEDQSA-N 1 2 258.325 2.708 10 0 CFAELO COC(=O)c1occc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116289817 534381616 /nfs/dbraw/zinc/38/16/16/534381616.db2.gz WOWINGYCPWTRMH-GFCCVEGCSA-N 1 2 275.304 2.996 10 0 CFAELO COC(=O)c1occc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116289817 534381622 /nfs/dbraw/zinc/38/16/22/534381622.db2.gz WOWINGYCPWTRMH-GFCCVEGCSA-N 1 2 275.304 2.996 10 0 CFAELO CC(C)CCC[C@@H](C)[NH2+]c1ccc(N)c(C(N)=O)c1 ZINC000049148701 519645980 /nfs/dbraw/zinc/64/59/80/519645980.db2.gz MLVRULSIRJTUQY-LLVKDONJSA-N 1 2 263.385 2.994 10 0 CFAELO CC(C)c1n[nH]c(=S)n1[C@@H](C)Cn1cc[nH+]c1 ZINC000049236175 519857943 /nfs/dbraw/zinc/85/79/43/519857943.db2.gz LYWQXONAYJNKAE-VIFPVBQESA-N 1 2 251.359 2.522 10 0 CFAELO CC(C)n1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cn1 ZINC000245543861 519951929 /nfs/dbraw/zinc/95/19/29/519951929.db2.gz RLWLCHVWISRSOH-HUUCEWRRSA-N 1 2 263.385 2.607 10 0 CFAELO CC(C)n1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cn1 ZINC000245543861 519951935 /nfs/dbraw/zinc/95/19/35/519951935.db2.gz RLWLCHVWISRSOH-HUUCEWRRSA-N 1 2 263.385 2.607 10 0 CFAELO CC(C)n1cc[nH+]c1CSc1nc(=O)ccn1C(C)C ZINC000170934373 520033679 /nfs/dbraw/zinc/03/36/79/520033679.db2.gz ZLXGAYPKUZZROR-UHFFFAOYSA-N 1 2 292.408 2.894 10 0 CFAELO CCC[NH2+][C@@](C)(COc1ccc(C)c(C)c1)C(=O)OC ZINC000045515638 520038365 /nfs/dbraw/zinc/03/83/65/520038365.db2.gz SUDKGTGZLMCUKB-INIZCTEOSA-N 1 2 279.380 2.614 10 0 CFAELO CC(C)n1nnnc1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000195024535 520143856 /nfs/dbraw/zinc/14/38/56/520143856.db2.gz LPPATUHDJSRVGZ-SNVBAGLBSA-N 1 2 279.775 2.758 10 0 CFAELO CCCNc1ccc(Cl)c(C[N@H+](C)CCOC)n1 ZINC000061638852 520161206 /nfs/dbraw/zinc/16/12/06/520161206.db2.gz LTZYVBPUPVMKIT-UHFFFAOYSA-N 1 2 271.792 2.635 10 0 CFAELO CCCNc1ccc(Cl)c(C[N@@H+](C)CCOC)n1 ZINC000061638852 520161214 /nfs/dbraw/zinc/16/12/14/520161214.db2.gz LTZYVBPUPVMKIT-UHFFFAOYSA-N 1 2 271.792 2.635 10 0 CFAELO CC[NH2+][C@H](CCSc1ccc(Cl)cc1)C(=O)OC ZINC000062597824 520194398 /nfs/dbraw/zinc/19/43/98/520194398.db2.gz WEPIJAOWIYUBSM-GFCCVEGCSA-N 1 2 287.812 2.973 10 0 CFAELO CC[NH2+][C@H](CCSCc1ccccc1)C(=O)OCC ZINC000062598117 520195164 /nfs/dbraw/zinc/19/51/64/520195164.db2.gz NLCQURBFQAAJRV-CQSZACIVSA-N 1 2 281.421 2.851 10 0 CFAELO CCCNc1ncccc1C[N@@H+]1CCOC[C@H]1CC ZINC000052721794 520196539 /nfs/dbraw/zinc/19/65/39/520196539.db2.gz BAZQVSVHZYNQRP-CQSZACIVSA-N 1 2 263.385 2.514 10 0 CFAELO CCCNc1ncccc1C[N@H+]1CCOC[C@H]1CC ZINC000052721794 520196544 /nfs/dbraw/zinc/19/65/44/520196544.db2.gz BAZQVSVHZYNQRP-CQSZACIVSA-N 1 2 263.385 2.514 10 0 CFAELO CC[NH2+][C@](C)(CCN(CC)c1ccc(C)cc1)C(=O)OC ZINC000049990057 520229118 /nfs/dbraw/zinc/22/91/18/520229118.db2.gz YSYUXIVVATVPOI-QGZVFWFLSA-N 1 2 292.423 2.753 10 0 CFAELO CC1(C)C[N@H+](Cc2ccc(Cl)cc2N)CCO1 ZINC000050442987 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CFAELO CCn1c(C)nnc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000195059878 393729895 /nfs/dbraw/zinc/72/98/95/393729895.db2.gz NOALSNUWICLLJV-UHFFFAOYSA-N 1 2 276.409 2.833 10 0 CFAELO O[C@@H]1CCCC[C@H]1[NH2+]CC(F)(F)c1ccccc1 ZINC000227901225 393773816 /nfs/dbraw/zinc/77/38/16/393773816.db2.gz YFPLKEVKCBPHEA-CHWSQXEVSA-N 1 2 255.308 2.672 10 0 CFAELO O=C(C1CCCCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177756942 394384614 /nfs/dbraw/zinc/38/46/14/394384614.db2.gz AKPMZWJUKKCSDY-OAHLLOKOSA-N 1 2 275.396 2.845 10 0 CFAELO c1cc(N2CCOCC2)ccc1[NH2+][C@H]1CCCOCC1 ZINC000086869997 135048468 /nfs/dbraw/zinc/04/84/68/135048468.db2.gz ZCWAHEYZIOKFEV-AWEZNQCLSA-N 1 2 276.380 2.504 10 0 CFAELO Cc1c(CNc2ccc(N3CCCCC3)[nH+]c2)cnn1C ZINC000093649585 135081249 /nfs/dbraw/zinc/08/12/49/135081249.db2.gz OFAZQKNABBREKK-UHFFFAOYSA-N 1 2 285.395 2.726 10 0 CFAELO Cc1nc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)co1 ZINC000187147499 543057260 /nfs/dbraw/zinc/05/72/60/543057260.db2.gz YSZVKBYMAICENU-NSHDSACASA-N 1 2 296.330 2.660 10 0 CFAELO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(C)cc(=O)[nH]2)o1 ZINC000192779792 543086136 /nfs/dbraw/zinc/08/61/36/543086136.db2.gz IDJGUOSGKMRXDS-GHMZBOCLSA-N 1 2 261.325 2.804 10 0 CFAELO Cc1ccc2c(C[NH+]3[C@H](C)COC[C@H]3C)cc(=O)oc2c1 ZINC000077369009 292303350 /nfs/dbraw/zinc/30/33/50/292303350.db2.gz BFLCSPVEIPELPK-CHWSQXEVSA-N 1 2 287.359 2.711 10 0 CFAELO CC(C)(C)OC(=O)C[NH+]1CCC(c2nccs2)CC1 ZINC000373993271 157055562 /nfs/dbraw/zinc/05/55/62/157055562.db2.gz QFVNGLJOIYPEHQ-UHFFFAOYSA-N 1 2 282.409 2.664 10 0 CFAELO CCCc1nccnc1NCCc1cccc(C)[nH+]1 ZINC000663857079 413413779 /nfs/dbraw/zinc/41/37/79/413413779.db2.gz FBQPGJBWUSTCFI-UHFFFAOYSA-N 1 2 256.353 2.787 10 0 CFAELO Cc1c[nH]c(C[NH2+][C@H](C)c2cc(F)ccc2F)n1 ZINC000657300712 413420068 /nfs/dbraw/zinc/42/00/68/413420068.db2.gz LAWHJWGONUDSJX-SECBINFHSA-N 1 2 251.280 2.847 10 0 CFAELO Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c[nH+]c3c2)cc1 ZINC000005889164 170150821 /nfs/dbraw/zinc/15/08/21/170150821.db2.gz KDBOQLUOKGHGMU-UHFFFAOYSA-N 1 2 287.344 2.672 10 0 CFAELO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)n1)c1ccncc1 ZINC000020246046 171098989 /nfs/dbraw/zinc/09/89/89/171098989.db2.gz FKITYOSMJBWTIE-CYBMUJFWSA-N 1 2 279.347 2.513 10 0 CFAELO CC(C)[NH2+][C@@H](C)[C@@H](O)COc1cccc2ccccc21 ZINC000028127775 171548806 /nfs/dbraw/zinc/54/88/06/171548806.db2.gz CILPUBLECPRREJ-BBRMVZONSA-N 1 2 273.376 2.966 10 0 CFAELO C[NH2+][C@@H](C)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000035644144 172322305 /nfs/dbraw/zinc/32/23/05/172322305.db2.gz NIJLDSFCNPTYHH-JTQLQIEISA-N 1 2 296.417 2.829 10 0 CFAELO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccc(Cl)s1)C(N)=O ZINC000037261449 173070983 /nfs/dbraw/zinc/07/09/83/173070983.db2.gz RIGLUDLUAAPLRP-HQJQHLMTSA-N 1 2 284.768 2.547 10 0 CFAELO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)c2cc(F)ccc2O)C1 ZINC000037331948 173133929 /nfs/dbraw/zinc/13/39/29/173133929.db2.gz HSAQVYLHLCLKSF-PHIMTYICSA-N 1 2 265.328 2.692 10 0 CFAELO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)c2cc(F)ccc2O)C1 ZINC000037331948 173133932 /nfs/dbraw/zinc/13/39/32/173133932.db2.gz HSAQVYLHLCLKSF-PHIMTYICSA-N 1 2 265.328 2.692 10 0 CFAELO CC[C@@H](C)C[N@H+](C)CC(=O)c1cc(F)ccc1O ZINC000037337081 173137445 /nfs/dbraw/zinc/13/74/45/173137445.db2.gz LIUUFQBIFOJPLZ-SNVBAGLBSA-N 1 2 253.317 2.692 10 0 CFAELO CC[C@@H](C)C[N@@H+](C)CC(=O)c1cc(F)ccc1O ZINC000037337081 173137447 /nfs/dbraw/zinc/13/74/47/173137447.db2.gz LIUUFQBIFOJPLZ-SNVBAGLBSA-N 1 2 253.317 2.692 10 0 CFAELO O=C(Cn1cc[nH+]c1)c1sccc1Br ZINC000037340571 173142347 /nfs/dbraw/zinc/14/23/47/173142347.db2.gz ONBGUMSTKROBEN-UHFFFAOYSA-N 1 2 271.139 2.590 10 0 CFAELO Nc1[nH+]c2c(cccc2F)n1Cc1ccccc1F ZINC000037421168 173198138 /nfs/dbraw/zinc/19/81/38/173198138.db2.gz IKVYGOKHWGVSDD-UHFFFAOYSA-N 1 2 259.259 2.945 10 0 CFAELO CCc1nc([C@H]([NH3+])c2cc(Cl)cc(Cl)c2)no1 ZINC000037425124 173199147 /nfs/dbraw/zinc/19/91/47/173199147.db2.gz ZELTYFMYBAQITQ-SNVBAGLBSA-N 1 2 272.135 2.987 10 0 CFAELO CCc1nc([C@@H]([NH3+])c2cc(Cl)cc(Cl)c2)no1 ZINC000037425126 173199253 /nfs/dbraw/zinc/19/92/53/173199253.db2.gz ZELTYFMYBAQITQ-JTQLQIEISA-N 1 2 272.135 2.987 10 0 CFAELO CC[C@@]([NH2+]C(C)C)(C(=O)OC)c1ccc(F)cc1 ZINC000037445686 173212498 /nfs/dbraw/zinc/21/24/98/173212498.db2.gz XUJSUFKJTFHDLZ-AWEZNQCLSA-N 1 2 253.317 2.602 10 0 CFAELO CC[C@H]1CO[C@@H](C)C[N@@H+]1[C@@H](C)C(=O)c1ccccc1 ZINC000037488600 173231043 /nfs/dbraw/zinc/23/10/43/173231043.db2.gz ZZUPVGJQVWKEQR-YDHLFZDLSA-N 1 2 261.365 2.757 10 0 CFAELO CC[C@H]1CO[C@@H](C)C[N@H+]1[C@@H](C)C(=O)c1ccccc1 ZINC000037488600 173231045 /nfs/dbraw/zinc/23/10/45/173231045.db2.gz ZZUPVGJQVWKEQR-YDHLFZDLSA-N 1 2 261.365 2.757 10 0 CFAELO CC1(C)CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC(C)(C)C1 ZINC000662657604 414588572 /nfs/dbraw/zinc/58/85/72/414588572.db2.gz OWHVZBDNSPOAAI-NSHDSACASA-N 1 2 288.382 2.658 10 0 CFAELO CC(C)(C)c1nnc(C[N@@H+]2CCc3c(N)cccc3C2)o1 ZINC000038032886 174030222 /nfs/dbraw/zinc/03/02/22/174030222.db2.gz QNZFSSHWEWNDIP-UHFFFAOYSA-N 1 2 286.379 2.508 10 0 CFAELO CC(C)(C)c1nnc(C[N@H+]2CCc3c(N)cccc3C2)o1 ZINC000038032886 174030223 /nfs/dbraw/zinc/03/02/23/174030223.db2.gz QNZFSSHWEWNDIP-UHFFFAOYSA-N 1 2 286.379 2.508 10 0 CFAELO Cc1cccn2cc(COc3cccc(N)c3)[nH+]c12 ZINC000038055013 174066496 /nfs/dbraw/zinc/06/64/96/174066496.db2.gz BTHNOHYLOVKOEF-UHFFFAOYSA-N 1 2 253.305 2.804 10 0 CFAELO Nc1ccc2[nH]c(-c3ccccc3C3=NCCO3)[nH+]c2c1 ZINC000038331980 174139719 /nfs/dbraw/zinc/13/97/19/174139719.db2.gz LZWGSNWGXYXRAW-UHFFFAOYSA-N 1 2 278.315 2.589 10 0 CFAELO CC(C)NC(=O)Cn1c2ccccc2[nH+]c1C(C)C ZINC000040295630 174223413 /nfs/dbraw/zinc/22/34/13/174223413.db2.gz XRPZGYWDYNGINE-UHFFFAOYSA-N 1 2 259.353 2.684 10 0 CFAELO Cc1cnc(C)c(-n2cc[nH+]c2-c2ccc(N)cc2)n1 ZINC000040516980 174307369 /nfs/dbraw/zinc/30/73/69/174307369.db2.gz XUUWCZIFGLTGHP-UHFFFAOYSA-N 1 2 265.320 2.528 10 0 CFAELO CO[C@@H]1C[NH2+][C@H](c2nc(C)c(-c3ccc(F)cc3)[nH]2)C1 ZINC000040637871 174362083 /nfs/dbraw/zinc/36/20/83/174362083.db2.gz MXGRFXOBXSVDQL-STQMWFEESA-N 1 2 275.327 2.574 10 0 CFAELO Cc1cccc(Nc2nc[nH+]c(NC(C)(C)C)c2N)n1 ZINC000040680357 174374671 /nfs/dbraw/zinc/37/46/71/174374671.db2.gz HOOUCQKUBNASPU-UHFFFAOYSA-N 1 2 272.356 2.716 10 0 CFAELO Cc1cc(Nc2nc[nH+]c(NCc3ccccc3)c2N)no1 ZINC000040680851 174375298 /nfs/dbraw/zinc/37/52/98/174375298.db2.gz FLLVTGRLLDUNQQ-UHFFFAOYSA-N 1 2 296.334 2.711 10 0 CFAELO Cc1cccc(Nc2nc[nH+]c(NC3CCCC3)c2N)n1 ZINC000040685776 174375472 /nfs/dbraw/zinc/37/54/72/174375472.db2.gz AEOUXWRXKDSNBK-UHFFFAOYSA-N 1 2 284.367 2.860 10 0 CFAELO CCN(CC)c1[nH+]cnc(NC2CCCCC2)c1N ZINC000040708406 174379919 /nfs/dbraw/zinc/37/99/19/174379919.db2.gz MTLRRSPALGJXMZ-UHFFFAOYSA-N 1 2 263.389 2.650 10 0 CFAELO Nc1c(Nc2ccccc2F)nc[nH+]c1N1CCCC1 ZINC000040724324 174386747 /nfs/dbraw/zinc/38/67/47/174386747.db2.gz PLMMRQHITLYSNJ-UHFFFAOYSA-N 1 2 273.315 2.542 10 0 CFAELO Cc1cccc(Nc2ncnc(-n3cc[nH+]c3)c2N)c1C ZINC000040755302 174396382 /nfs/dbraw/zinc/39/63/82/174396382.db2.gz OULWUNMDFQFWAO-UHFFFAOYSA-N 1 2 280.335 2.605 10 0 CFAELO Cc1cccnc1Nc1nc[nH+]c(NC2CCCC2)c1N ZINC000040758190 174396867 /nfs/dbraw/zinc/39/68/67/174396867.db2.gz BVJXCUICCGZPCR-UHFFFAOYSA-N 1 2 284.367 2.860 10 0 CFAELO Cc1cccc(CN(C)c2[nH+]c(C)ccc2C(N)=S)c1 ZINC000043396772 175036051 /nfs/dbraw/zinc/03/60/51/175036051.db2.gz GZACINVUDPFJPX-UHFFFAOYSA-N 1 2 285.416 2.969 10 0 CFAELO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C(=O)[O-])C(C)C)c(C)[nH+]1 ZINC000043431150 175043051 /nfs/dbraw/zinc/04/30/51/175043051.db2.gz LXFXDXXXGJQJAH-GXTWGEPZSA-N 1 2 264.369 2.767 10 0 CFAELO COC(=O)[C@@H](CC(C)C)[NH2+]C[C@H](O)c1ccccc1Cl ZINC000043435072 175044630 /nfs/dbraw/zinc/04/46/30/175044630.db2.gz DSONAAFQPNIFJG-KGLIPLIRSA-N 1 2 299.798 2.551 10 0 CFAELO COC(=O)[C@H](NC1=[NH+]C[C@H](c2ccccc2)S1)C(C)C ZINC000043436746 175045252 /nfs/dbraw/zinc/04/52/52/175045252.db2.gz AMBRKEFZOBFBBW-CHWSQXEVSA-N 1 2 292.404 2.618 10 0 CFAELO COC(=O)[C@H]([NH2+]Cc1ccc(F)c2cccnc12)C(C)C ZINC000043442032 175046311 /nfs/dbraw/zinc/04/63/11/175046311.db2.gz RLSKMILXSYSIOG-CQSZACIVSA-N 1 2 290.338 2.661 10 0 CFAELO c1ccc(-c2noc([C@H]3[NH2+]CCc4ccccc43)n2)cc1 ZINC000043594437 175075489 /nfs/dbraw/zinc/07/54/89/175075489.db2.gz GDYYLDYLKHNOAL-HNNXBMFYSA-N 1 2 277.327 2.972 10 0 CFAELO Fc1ccc2nc([C@H]3[NH2+]CCc4ccccc43)[nH]c2c1 ZINC000043600659 175077715 /nfs/dbraw/zinc/07/77/15/175077715.db2.gz FZYAKOJHKUWDOJ-HNNXBMFYSA-N 1 2 267.307 2.937 10 0 CFAELO Nc1c(NCC[C@@H]2CCCO2)ccc2[nH+]cccc12 ZINC000044510252 175187353 /nfs/dbraw/zinc/18/73/53/175187353.db2.gz LPNATZJXPZNHDA-NSHDSACASA-N 1 2 257.337 2.798 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H](C)CC(C)C)c1N ZINC000044590482 175212026 /nfs/dbraw/zinc/21/20/26/175212026.db2.gz BUGKFQFSIVEURY-SECBINFHSA-N 1 2 253.346 2.558 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n(CCC2CCCCC2)c1N ZINC000044590876 175212508 /nfs/dbraw/zinc/21/25/08/175212508.db2.gz DIVOIFUNIQKCTR-UHFFFAOYSA-N 1 2 279.384 2.921 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H](C)c2ccc(F)cc2)c1N ZINC000044591110 175212597 /nfs/dbraw/zinc/21/25/97/175212597.db2.gz DXDAZLLFKCLPRF-VIFPVBQESA-N 1 2 291.326 2.699 10 0 CFAELO Fc1ccc2nc([C@@H]3[NH2+]CCc4sccc43)[nH]c2c1 ZINC000044592869 175214102 /nfs/dbraw/zinc/21/41/02/175214102.db2.gz IDQOQJLRMONPFS-CYBMUJFWSA-N 1 2 273.336 2.999 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H]2C[C@H]2c2ccccc2)c1N ZINC000044660265 175226237 /nfs/dbraw/zinc/22/62/37/175226237.db2.gz BAZTVYFNTPLMEZ-STQMWFEESA-N 1 2 285.347 2.679 10 0 CFAELO COc1ncnc(OC)c1C[NH2+][C@H](C)c1cc(C)oc1C ZINC000044729663 175239778 /nfs/dbraw/zinc/23/97/78/175239778.db2.gz LSMZPPPMTNPYTG-SNVBAGLBSA-N 1 2 291.351 2.554 10 0 CFAELO CC(C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045053508 175297953 /nfs/dbraw/zinc/29/79/53/175297953.db2.gz JHXBFQUUTODUBA-GFCCVEGCSA-N 1 2 257.337 2.647 10 0 CFAELO CCN(CC[C@](C)([NH2+]C(C)C)C(=O)OC)c1ccccc1 ZINC000045232172 175335897 /nfs/dbraw/zinc/33/58/97/175335897.db2.gz WAPFGDGVFZLVCH-KRWDZBQOSA-N 1 2 292.423 2.833 10 0 CFAELO CCCCC[N@H+](C[C@](C)([NH2+]CCC)C(=O)[O-])C(C)C ZINC000045278534 175348306 /nfs/dbraw/zinc/34/83/06/175348306.db2.gz SJZDNRFKEKWSTH-HNNXBMFYSA-N 1 2 272.433 2.730 10 0 CFAELO CCCCC[N@@H+](C[C@](C)([NH2+]CCC)C(=O)[O-])C(C)C ZINC000045278534 175348308 /nfs/dbraw/zinc/34/83/08/175348308.db2.gz SJZDNRFKEKWSTH-HNNXBMFYSA-N 1 2 272.433 2.730 10 0 CFAELO CC[NH2+][C@](C)(CCC[N@H+](CC)c1ccccc1)C(=O)[O-] ZINC000045379902 175369066 /nfs/dbraw/zinc/36/90/66/175369066.db2.gz WRGWDWZKNWNUGJ-MRXNPFEDSA-N 1 2 278.396 2.746 10 0 CFAELO CC[NH2+][C@](C)(CCC[N@@H+](CC)c1ccccc1)C(=O)[O-] ZINC000045379902 175369069 /nfs/dbraw/zinc/36/90/69/175369069.db2.gz WRGWDWZKNWNUGJ-MRXNPFEDSA-N 1 2 278.396 2.746 10 0 CFAELO CCOC(=O)[C@H](CN(CC)c1cccc(F)c1)[NH2+]C(C)C ZINC000045421303 175379852 /nfs/dbraw/zinc/37/98/52/175379852.db2.gz YLSNINVEHSFWJC-HNNXBMFYSA-N 1 2 296.386 2.582 10 0 CFAELO COc1ccnc(Nc2ccc3c(c2)CCC[NH2+]3)n1 ZINC000071214933 176086188 /nfs/dbraw/zinc/08/61/88/176086188.db2.gz PHPMDJVBGYOBTL-UHFFFAOYSA-N 1 2 256.309 2.587 10 0 CFAELO [NH3+]N1CCC[C@H](c2cccc(Br)c2)C1 ZINC000077609733 177286263 /nfs/dbraw/zinc/28/62/63/177286263.db2.gz JBUKFJFSBTWZNP-JTQLQIEISA-N 1 2 255.159 2.502 10 0 CFAELO C[C@@H](NC(=O)N(C)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876209 260288537 /nfs/dbraw/zinc/28/85/37/260288537.db2.gz JGAVLUYBJNJXTQ-GFCCVEGCSA-N 1 2 284.363 2.737 10 0 CFAELO CCOc1ccccc1[C@H](C)[NH2+]Cc1nc(C)no1 ZINC000038034442 270226130 /nfs/dbraw/zinc/22/61/30/270226130.db2.gz MZKOZELNDLGHKV-JTQLQIEISA-N 1 2 261.325 2.628 10 0 CFAELO CCc1ccc([C@H](C)[NH2+][C@H](C(=O)OC)C2CC2)cc1 ZINC000227767423 270258188 /nfs/dbraw/zinc/25/81/88/270258188.db2.gz WQCMQQIOASJCAD-NHYWBVRUSA-N 1 2 261.365 2.851 10 0 CFAELO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000391822374 270305730 /nfs/dbraw/zinc/30/57/30/270305730.db2.gz UMHYRTYEASMYBY-CHWSQXEVSA-N 1 2 258.369 2.844 10 0 CFAELO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)[nH]1 ZINC000392346678 270307012 /nfs/dbraw/zinc/30/70/12/270307012.db2.gz NPLJBYRUWHEEMD-SFYZADRCSA-N 1 2 266.295 2.803 10 0 CFAELO O[C@@H]1CC[C@@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)C[C@H]2C1 ZINC000398928598 270324942 /nfs/dbraw/zinc/32/49/42/270324942.db2.gz SCGHWXXRLYVHIP-CKYFFXLPSA-N 1 2 286.297 2.698 10 0 CFAELO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1csc(C(C)(C)C)n1 ZINC000399198394 270327073 /nfs/dbraw/zinc/32/70/73/270327073.db2.gz MJKNFBYNRQZUJX-CMPLNLGQSA-N 1 2 268.426 2.786 10 0 CFAELO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1csc(C(C)(C)C)n1 ZINC000399198394 270327075 /nfs/dbraw/zinc/32/70/75/270327075.db2.gz MJKNFBYNRQZUJX-CMPLNLGQSA-N 1 2 268.426 2.786 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cncs1)C2 ZINC000123291785 276066180 /nfs/dbraw/zinc/06/61/80/276066180.db2.gz AIMCXFNUYXTWPY-UHFFFAOYSA-N 1 2 276.409 2.558 10 0 CFAELO CC(C)c1nc2c(n1C)CC[N@H+](C[C@@H]1CCC=CO1)C2 ZINC000193921806 278074970 /nfs/dbraw/zinc/07/49/70/278074970.db2.gz FDBVILXVHQQMIN-ZDUSSCGKSA-N 1 2 275.396 2.594 10 0 CFAELO CC(C)c1nc2c(n1C)CC[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC000193921806 278074971 /nfs/dbraw/zinc/07/49/71/278074971.db2.gz FDBVILXVHQQMIN-ZDUSSCGKSA-N 1 2 275.396 2.594 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@@H]1CCC=CO1)C2 ZINC000193921806 278074972 /nfs/dbraw/zinc/07/49/72/278074972.db2.gz FDBVILXVHQQMIN-ZDUSSCGKSA-N 1 2 275.396 2.594 10 0 CFAELO CC(C)n1ncc2cc(C[NH+]3[C@@H](C)COC[C@@H]3C)cnc21 ZINC000120960170 278149661 /nfs/dbraw/zinc/14/96/61/278149661.db2.gz QCAGBFWSTBUHOQ-STQMWFEESA-N 1 2 288.395 2.621 10 0 CFAELO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc(F)c(F)c(F)c1 ZINC000164709732 278273427 /nfs/dbraw/zinc/27/34/27/278273427.db2.gz UIQKLVKBPOQGOE-QPUJVOFHSA-N 1 2 296.296 2.881 10 0 CFAELO C[C@@H](NC(=O)NCCCF)c1cccc(-n2cc[nH+]c2)c1 ZINC000120955548 280618675 /nfs/dbraw/zinc/61/86/75/280618675.db2.gz FGHGVSYTUPEZLW-GFCCVEGCSA-N 1 2 290.342 2.592 10 0 CFAELO CC(C)c1nn(C)cc1N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000335954275 280705596 /nfs/dbraw/zinc/70/55/96/280705596.db2.gz NXPHWPUQVPKBOJ-MNOVXSKESA-N 1 2 259.357 2.858 10 0 CFAELO Cn1c(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)nnc1C1CC1 ZINC000177199283 294155180 /nfs/dbraw/zinc/15/51/80/294155180.db2.gz LAOKSCIKBSTCJM-QWHCGFSZSA-N 1 2 292.452 2.553 10 0 CFAELO Cn1c(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)nnc1C1CC1 ZINC000177199283 294155186 /nfs/dbraw/zinc/15/51/86/294155186.db2.gz LAOKSCIKBSTCJM-QWHCGFSZSA-N 1 2 292.452 2.553 10 0 CFAELO Cn1cccc1C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000092812310 294381125 /nfs/dbraw/zinc/38/11/25/294381125.db2.gz BKKHDFZSCPMABC-HNNXBMFYSA-N 1 2 299.422 2.680 10 0 CFAELO Cn1cccc1C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000092812310 294381126 /nfs/dbraw/zinc/38/11/26/294381126.db2.gz BKKHDFZSCPMABC-HNNXBMFYSA-N 1 2 299.422 2.680 10 0 CFAELO CCc1nc(C2([NH2+]C[C@@H]3CC[C@@H](C)O3)CCCC2)no1 ZINC000190607461 324041873 /nfs/dbraw/zinc/04/18/73/324041873.db2.gz ZHWALWBXSGOAML-NEPJUHHUSA-N 1 2 279.384 2.558 10 0 CFAELO CCc1nc(C2([NH2+]C[C@@H]3CC[C@H](C)O3)CCCC2)no1 ZINC000190607423 324041959 /nfs/dbraw/zinc/04/19/59/324041959.db2.gz ZHWALWBXSGOAML-RYUDHWBXSA-N 1 2 279.384 2.558 10 0 CFAELO CC[NH2+][C@@H](CCSc1ccc(Cl)cc1)C(=O)OC 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CC(=O)CC[C@]1(C)C[N@H+](Cc2ccccc2)CCC1=O ZINC000038979610 346340763 /nfs/dbraw/zinc/34/07/63/346340763.db2.gz ZNUMCHSATRUUIJ-QGZVFWFLSA-N 1 2 273.376 2.837 10 0 CFAELO CC(=O)CC[C@]1(C)C[N@@H+](Cc2ccccc2)CCC1=O ZINC000038979610 346340765 /nfs/dbraw/zinc/34/07/65/346340765.db2.gz ZNUMCHSATRUUIJ-QGZVFWFLSA-N 1 2 273.376 2.837 10 0 CFAELO CC(C)(C)[C@H](O)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000080788932 347380819 /nfs/dbraw/zinc/38/08/19/347380819.db2.gz JVJBVCZCJCYUNV-SECBINFHSA-N 1 2 262.275 2.919 10 0 CFAELO Cc1cc2ccccc2[nH+]c1N1CC[C@H](C)[C@H](O)C1 ZINC000092978077 347656582 /nfs/dbraw/zinc/65/65/82/347656582.db2.gz BHKCTNNOQSTXJT-XHDPSFHLSA-N 1 2 256.349 2.750 10 0 CFAELO CCOC(=O)[C@H]1[C@H]2C=C[C@H](C2)[N@@H+]1[C@H](C)c1ccccc1 ZINC000144175528 347940060 /nfs/dbraw/zinc/94/00/60/347940060.db2.gz WPVULUCPUMGINO-SLBVQIDZSA-N 1 2 271.360 2.940 10 0 CFAELO CCOC(=O)[C@H]1[C@H]2C=C[C@H](C2)[N@H+]1[C@H](C)c1ccccc1 ZINC000144175528 347940062 /nfs/dbraw/zinc/94/00/62/347940062.db2.gz 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2.901 10 0 CFAELO c1ccc(CCNc2cn[nH+]c3ccccc23)nc1 ZINC000104106922 185896583 /nfs/dbraw/zinc/89/65/83/185896583.db2.gz OKSUQOVPRCRPNY-UHFFFAOYSA-N 1 2 250.305 2.679 10 0 CFAELO CC(=O)NC1=[NH+]c2ccccc2CN1Cc1ccccc1 ZINC000307145625 348396814 /nfs/dbraw/zinc/39/68/14/348396814.db2.gz MXAWMNOTNRVJDH-UHFFFAOYSA-N 1 2 279.343 2.826 10 0 CFAELO CC(=O)Nc1cc(N)ccc1[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000584904532 348733591 /nfs/dbraw/zinc/73/35/91/348733591.db2.gz QRVKGJPPYRQUCR-GHMZBOCLSA-N 1 2 261.369 2.710 10 0 CFAELO Cc1ccccc1NC(=O)Cc1cccc2[nH+]ccn21 ZINC000584605133 348687201 /nfs/dbraw/zinc/68/72/01/348687201.db2.gz DVPMPSXJHGATRN-UHFFFAOYSA-N 1 2 265.316 2.824 10 0 CFAELO COCCOc1cc2c(cc1OC)C=[NH+][C@@H](C1(C)CC1)C2 ZINC000584606450 348687847 /nfs/dbraw/zinc/68/78/47/348687847.db2.gz SPKNLKIMFVXFAP-MRXNPFEDSA-N 1 2 289.375 2.864 10 0 CFAELO CC1(C)C(=O)Nc2cc(-n3c[nH+]c(C4CC4)c3)ccc21 ZINC000584625774 348694059 /nfs/dbraw/zinc/69/40/59/348694059.db2.gz QGUYJFXVRXJCEC-UHFFFAOYSA-N 1 2 267.332 2.979 10 0 CFAELO C[C@H](CCOc1ccc(Cl)cn1)CC[NH+]1CC1 ZINC000584650552 348701903 /nfs/dbraw/zinc/70/19/03/348701903.db2.gz QHTSMZZCSIUBSJ-NSHDSACASA-N 1 2 254.761 2.846 10 0 CFAELO Cc1ncsc1C[N@@H+](C)Cc1nc(N)ccc1Cl ZINC000104434671 186001240 /nfs/dbraw/zinc/00/12/40/186001240.db2.gz QQUDDTIRAJQZCN-UHFFFAOYSA-N 1 2 282.800 2.714 10 0 CFAELO Cc1ncsc1C[N@H+](C)Cc1nc(N)ccc1Cl ZINC000104434671 186001242 /nfs/dbraw/zinc/00/12/42/186001242.db2.gz QQUDDTIRAJQZCN-UHFFFAOYSA-N 1 2 282.800 2.714 10 0 CFAELO CC(C)(C)OC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000090623415 180014660 /nfs/dbraw/zinc/01/46/60/180014660.db2.gz LEKABXOVWRPBBD-JTQLQIEISA-N 1 2 286.169 2.791 10 0 CFAELO O=C(N[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccncc1 ZINC000090624521 180015228 /nfs/dbraw/zinc/01/52/28/180015228.db2.gz AZDJWNNUKOPHAP-QGZVFWFLSA-N 1 2 295.386 2.996 10 0 CFAELO CC[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000220575203 539751512 /nfs/dbraw/zinc/75/15/12/539751512.db2.gz RMLHALRONRZUAQ-OLZOCXBDSA-N 1 2 275.396 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ZINC000178673057 380474815 /nfs/dbraw/zinc/47/48/15/380474815.db2.gz RIKNESLTJBKPBJ-OAHLLOKOSA-N 1 2 299.422 2.979 10 0 CFAELO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nnc(C(C)C)n2C)n1 ZINC000178673057 380474821 /nfs/dbraw/zinc/47/48/21/380474821.db2.gz RIKNESLTJBKPBJ-OAHLLOKOSA-N 1 2 299.422 2.979 10 0 CFAELO COc1ccc(F)cc1C[NH2+][C@H](C)c1ncc(C)o1 ZINC000336817248 380679546 /nfs/dbraw/zinc/67/95/46/380679546.db2.gz PJSKTNUERWUTPT-SNVBAGLBSA-N 1 2 264.300 2.982 10 0 CFAELO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1cccc(O)c1 ZINC000181560923 380827843 /nfs/dbraw/zinc/82/78/43/380827843.db2.gz GZKPALDJGFLDTH-SNVBAGLBSA-N 1 2 275.352 2.924 10 0 CFAELO C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)c1ccc(F)cc1F ZINC000181575378 380832494 /nfs/dbraw/zinc/83/24/94/380832494.db2.gz NIRQAGQOPYVPJT-SECBINFHSA-N 1 2 292.333 2.822 10 0 CFAELO C[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1ccc(F)c(F)c1 ZINC000181620703 380844366 /nfs/dbraw/zinc/84/43/66/380844366.db2.gz LWLQQPQKRGEANQ-VIFPVBQESA-N 1 2 292.333 2.822 10 0 CFAELO COc1ccsc1[C@H](C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000186188812 381848007 /nfs/dbraw/zinc/84/80/07/381848007.db2.gz NCQHXJFFJLQEPR-VHSXEESVSA-N 1 2 278.381 2.534 10 0 CFAELO C[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)C1CCC1 ZINC000186430023 381909046 /nfs/dbraw/zinc/90/90/46/381909046.db2.gz HSPTUAIROGKRPH-GFCCVEGCSA-N 1 2 286.379 2.662 10 0 CFAELO Cc1cc(NCCCNc2ncccn2)nc(C(C)C)[nH+]1 ZINC000301068235 382072028 /nfs/dbraw/zinc/07/20/28/382072028.db2.gz BAJBPFGIQKXHBD-UHFFFAOYSA-N 1 2 286.383 2.613 10 0 CFAELO Cc1cc(NC[C@H](O)C2CCCC2)nc(C(C)C)[nH+]1 ZINC000301286005 382136731 /nfs/dbraw/zinc/13/67/31/382136731.db2.gz MPCVOVBGUKCBFW-ZDUSSCGKSA-N 1 2 263.385 2.871 10 0 CFAELO CO[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000302751904 382309790 /nfs/dbraw/zinc/30/97/90/382309790.db2.gz HHHNSPYWWRZXPJ-MNOVXSKESA-N 1 2 289.383 2.561 10 0 CFAELO Nc1[nH+]cnc(NC[C@H](CO)CC2CCCCC2)c1Cl ZINC000302822723 382327997 /nfs/dbraw/zinc/32/79/97/382327997.db2.gz FGOWTROPGHAWML-LLVKDONJSA-N 1 2 298.818 2.703 10 0 CFAELO Nc1nc[nH+]c(NC[C@H](CO)CC2CCCCC2)c1Cl ZINC000302822723 382328003 /nfs/dbraw/zinc/32/80/03/382328003.db2.gz FGOWTROPGHAWML-LLVKDONJSA-N 1 2 298.818 2.703 10 0 CFAELO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000188412874 382409830 /nfs/dbraw/zinc/40/98/30/382409830.db2.gz XMUXNLWBYHMTGE-INIZCTEOSA-N 1 2 283.375 2.547 10 0 CFAELO Cc1ccsc1C(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000328616101 382554563 /nfs/dbraw/zinc/55/45/63/382554563.db2.gz BJFLOMWCEJDVFQ-LBPRGKRZSA-N 1 2 289.404 2.588 10 0 CFAELO C[C@@H]([NH2+]Cc1nc(N(C)C)no1)c1ccc(Cl)s1 ZINC000193007657 382714443 /nfs/dbraw/zinc/71/44/43/382714443.db2.gz RCIJPEMGLNJJGX-SSDOTTSWSA-N 1 2 286.788 2.701 10 0 CFAELO Cc1ccc([C@H](C)[N@@H+](C)Cc2nnnn2C(C)C)cc1 ZINC000195082509 382761063 /nfs/dbraw/zinc/76/10/63/382761063.db2.gz FFUGTJAFJYODSG-ZDUSSCGKSA-N 1 2 273.384 2.755 10 0 CFAELO Cc1ccc([C@H](C)[N@H+](C)Cc2nnnn2C(C)C)cc1 ZINC000195082509 382761066 /nfs/dbraw/zinc/76/10/66/382761066.db2.gz FFUGTJAFJYODSG-ZDUSSCGKSA-N 1 2 273.384 2.755 10 0 CFAELO CCc1cnc(C[NH2+][C@H]2CCc3c2cccc3O)o1 ZINC000231632953 382865461 /nfs/dbraw/zinc/86/54/61/382865461.db2.gz WWJVPCJOXJLYND-ZDUSSCGKSA-N 1 2 258.321 2.720 10 0 CFAELO CC[C@H](O)C[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000247569937 383185395 /nfs/dbraw/zinc/18/53/95/383185395.db2.gz HBIANCJKOQIRLL-NWDGAFQWSA-N 1 2 298.452 2.585 10 0 CFAELO CC[C@H](O)C[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000247569937 383185399 /nfs/dbraw/zinc/18/53/99/383185399.db2.gz HBIANCJKOQIRLL-NWDGAFQWSA-N 1 2 298.452 2.585 10 0 CFAELO C[C@H]1C[N@H+](Cc2nnc(C3CC3)n2C)[C@H]1c1ccccc1 ZINC000248342126 383225778 /nfs/dbraw/zinc/22/57/78/383225778.db2.gz JJIRZRJZPMUPCP-BLLLJJGKSA-N 1 2 282.391 2.886 10 0 CFAELO C[C@H]1C[N@@H+](Cc2nnc(C3CC3)n2C)[C@H]1c1ccccc1 ZINC000248342126 383225782 /nfs/dbraw/zinc/22/57/82/383225782.db2.gz JJIRZRJZPMUPCP-BLLLJJGKSA-N 1 2 282.391 2.886 10 0 CFAELO CC[C@@H](C)NC(=O)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000249803717 383362893 /nfs/dbraw/zinc/36/28/93/383362893.db2.gz AUIGGJHHGHPFLC-NEPJUHHUSA-N 1 2 281.425 2.585 10 0 CFAELO CC[C@@H](C)NC(=O)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000249803717 383362896 /nfs/dbraw/zinc/36/28/96/383362896.db2.gz AUIGGJHHGHPFLC-NEPJUHHUSA-N 1 2 281.425 2.585 10 0 CFAELO Cc1ccc(NN=C(C#N)C(=[NH2+])N2CCCCC2)cc1 ZINC000254698217 383470096 /nfs/dbraw/zinc/47/00/96/383470096.db2.gz SIEYPLBBVFUPJU-UHFFFAOYSA-N 1 2 269.352 2.750 10 0 CFAELO F[C@@H]1C[NH2+][C@@H](c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000261884428 383575775 /nfs/dbraw/zinc/57/57/75/383575775.db2.gz WULRXHWZPQNDDT-WDEREUQCSA-N 1 2 281.718 2.686 10 0 CFAELO Nc1ncc(C[N@@H+]2CCCC[C@H]2c2nccs2)s1 ZINC000261982855 383590344 /nfs/dbraw/zinc/59/03/44/383590344.db2.gz JIYIAIUONSHFRH-JTQLQIEISA-N 1 2 280.422 2.909 10 0 CFAELO Nc1ncc(C[N@H+]2CCCC[C@H]2c2nccs2)s1 ZINC000261982855 383590346 /nfs/dbraw/zinc/59/03/46/383590346.db2.gz JIYIAIUONSHFRH-JTQLQIEISA-N 1 2 280.422 2.909 10 0 CFAELO COC(=O)[C@H](C)CSCc1[nH+]ccn1C(C)C ZINC000265264818 383878786 /nfs/dbraw/zinc/87/87/86/383878786.db2.gz MAYDGFZTNXIFIV-SNVBAGLBSA-N 1 2 256.371 2.506 10 0 CFAELO CCn1cc([C@H]2C[N@H+](Cc3cccs3)CCO2)cn1 ZINC000191697105 130279175 /nfs/dbraw/zinc/27/91/75/130279175.db2.gz KPQFBLXFMJOZIW-CQSZACIVSA-N 1 2 277.393 2.538 10 0 CFAELO CCn1cc([C@H]2C[N@@H+](Cc3cccs3)CCO2)cn1 ZINC000191697105 130279177 /nfs/dbraw/zinc/27/91/77/130279177.db2.gz KPQFBLXFMJOZIW-CQSZACIVSA-N 1 2 277.393 2.538 10 0 CFAELO CCc1ccc(C[N@@H+]2CCO[C@H](c3cnn(CC)c3)C2)o1 ZINC000191714687 130283515 /nfs/dbraw/zinc/28/35/15/130283515.db2.gz GQQZVVBWHGGPHF-INIZCTEOSA-N 1 2 289.379 2.632 10 0 CFAELO CCc1ccc(C[N@H+]2CCO[C@H](c3cnn(CC)c3)C2)o1 ZINC000191714687 130283518 /nfs/dbraw/zinc/28/35/18/130283518.db2.gz GQQZVVBWHGGPHF-INIZCTEOSA-N 1 2 289.379 2.632 10 0 CFAELO Cc1cccc(NC(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000249707763 131123178 /nfs/dbraw/zinc/12/31/78/131123178.db2.gz BQMLSSYYMZRSMK-HZPDHXFCSA-N 1 2 288.391 2.577 10 0 CFAELO Cc1cccc(NC(=O)C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000249707763 131123179 /nfs/dbraw/zinc/12/31/79/131123179.db2.gz BQMLSSYYMZRSMK-HZPDHXFCSA-N 1 2 288.391 2.577 10 0 CFAELO C[C@@H]1CCC[C@H]1CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000187672482 393555928 /nfs/dbraw/zinc/55/59/28/393555928.db2.gz QIMXNWUZTPLLAV-QLFBSQMISA-N 1 2 275.396 2.700 10 0 CFAELO COc1ccc[nH+]c1N[C@H]1CNc2ccccc2C1 ZINC000404485702 393620809 /nfs/dbraw/zinc/62/08/09/393620809.db2.gz KNXNZMZLXJBVRC-GFCCVEGCSA-N 1 2 255.321 2.539 10 0 CFAELO CCn1c(C)nnc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000195053664 393729305 /nfs/dbraw/zinc/72/93/05/393729305.db2.gz MDCSNJAHEVGFMD-UHFFFAOYSA-N 1 2 270.380 2.771 10 0 CFAELO CCn1c(C)nnc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000195053664 393729310 /nfs/dbraw/zinc/72/93/10/393729310.db2.gz MDCSNJAHEVGFMD-UHFFFAOYSA-N 1 2 270.380 2.771 10 0 CFAELO Cc1ccc2ncc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)n2c1 ZINC000091979492 393785507 /nfs/dbraw/zinc/78/55/07/393785507.db2.gz WXYVESSVPDMVIJ-JKSUJKDBSA-N 1 2 285.391 2.786 10 0 CFAELO Cc1ccc2ncc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)n2c1 ZINC000091979492 393785510 /nfs/dbraw/zinc/78/55/10/393785510.db2.gz WXYVESSVPDMVIJ-JKSUJKDBSA-N 1 2 285.391 2.786 10 0 CFAELO Cc1ccc2[nH+]cc(CN3CCO[C@@H]4CCCC[C@@H]43)n2c1 ZINC000091979492 393785512 /nfs/dbraw/zinc/78/55/12/393785512.db2.gz WXYVESSVPDMVIJ-JKSUJKDBSA-N 1 2 285.391 2.786 10 0 CFAELO COc1c(N)[nH+]cnc1N[C@@H]1CCCc2ccccc21 ZINC000134875870 394205467 /nfs/dbraw/zinc/20/54/67/394205467.db2.gz UXDITOWFFIYTPS-GFCCVEGCSA-N 1 2 270.336 2.557 10 0 CFAELO COc1c(N)nc[nH+]c1N[C@@H]1CCCc2ccccc21 ZINC000134875870 394205470 /nfs/dbraw/zinc/20/54/70/394205470.db2.gz UXDITOWFFIYTPS-GFCCVEGCSA-N 1 2 270.336 2.557 10 0 CFAELO CC(C)(C)CCCNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000156610510 394336477 /nfs/dbraw/zinc/33/64/77/394336477.db2.gz MXINOYIPVOXKOK-ZDUSSCGKSA-N 1 2 292.427 2.676 10 0 CFAELO CC(C)(C)CCCNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000156610510 394336478 /nfs/dbraw/zinc/33/64/78/394336478.db2.gz MXINOYIPVOXKOK-ZDUSSCGKSA-N 1 2 292.427 2.676 10 0 CFAELO CC(C)n1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000172012776 394372857 /nfs/dbraw/zinc/37/28/57/394372857.db2.gz IUNHFZJONDWKPC-LSDHHAIUSA-N 1 2 263.385 2.607 10 0 CFAELO CC(C)n1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000172012776 394372858 /nfs/dbraw/zinc/37/28/58/394372858.db2.gz IUNHFZJONDWKPC-LSDHHAIUSA-N 1 2 263.385 2.607 10 0 CFAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccoc1 ZINC000178417737 394388135 /nfs/dbraw/zinc/38/81/35/394388135.db2.gz FRTGPDOLKXHWQZ-JQWIXIFHSA-N 1 2 260.341 2.619 10 0 CFAELO CCOC(=O)[C@@]1([NH2+]C2CCCC2)CCc2ccccc21 ZINC000037970586 285900667 /nfs/dbraw/zinc/90/06/67/285900667.db2.gz YSSKDCXTBMFJHQ-QGZVFWFLSA-N 1 2 273.376 2.923 10 0 CFAELO C[N@@H+]1CCC=C(c2nsnc2SCCCF)C1 ZINC000006438037 170201583 /nfs/dbraw/zinc/20/15/83/170201583.db2.gz NQKPPQNBFQLLIZ-UHFFFAOYSA-N 1 2 273.402 2.709 10 0 in-vitro CFAELO C[N@H+]1CCC=C(c2nsnc2SCCCF)C1 ZINC000006438037 170201584 /nfs/dbraw/zinc/20/15/84/170201584.db2.gz NQKPPQNBFQLLIZ-UHFFFAOYSA-N 1 2 273.402 2.709 10 0 in-vitro CFAELO CCCCCCc1c(=O)[nH]oc1C1CC[NH2+]CC1 ZINC000013473968 170553824 /nfs/dbraw/zinc/55/38/24/170553824.db2.gz MDJPHLITHYEDKB-UHFFFAOYSA-N 1 2 252.358 2.970 10 0 CFAELO c1ccc(C[NH2+]Cc2nc3ccccc3s2)nc1 ZINC000020136342 171024164 /nfs/dbraw/zinc/02/41/64/171024164.db2.gz LFOBHIYAOCMTQK-UHFFFAOYSA-N 1 2 255.346 2.981 10 0 CFAELO CC(C)(C)OC(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC000021987726 171345790 /nfs/dbraw/zinc/34/57/90/171345790.db2.gz PIBXOBCFOCDTJF-UHFFFAOYSA-N 1 2 265.357 2.599 10 0 CFAELO CC(C)(C)OC(=O)N1CCC(Cc2c[nH+]c[nH]2)CC1 ZINC000021987726 171345791 /nfs/dbraw/zinc/34/57/91/171345791.db2.gz PIBXOBCFOCDTJF-UHFFFAOYSA-N 1 2 265.357 2.599 10 0 CFAELO Nc1cc(Cl)cc(Cl)c1NC(=O)CCn1cc[nH+]c1 ZINC000022211787 171374086 /nfs/dbraw/zinc/37/40/86/171374086.db2.gz MXUAGWCRUFCSJO-UHFFFAOYSA-N 1 2 299.161 2.801 10 0 CFAELO Nc1ccc2[nH+]c(NCc3cccnc3)ccc2c1 ZINC000035343410 172135007 /nfs/dbraw/zinc/13/50/07/172135007.db2.gz DUWKTMXZMNSLTQ-UHFFFAOYSA-N 1 2 250.305 2.824 10 0 CFAELO CCc1ccc(NC(=O)CSc2ccc(N)[nH+]c2)cc1 ZINC000037192262 173020747 /nfs/dbraw/zinc/02/07/47/173020747.db2.gz CHIZBRSTKJRGGY-UHFFFAOYSA-N 1 2 287.388 2.957 10 0 CFAELO CC[C@@H](C(=O)c1ccccc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000037338460 173139285 /nfs/dbraw/zinc/13/92/85/173139285.db2.gz AIZDLJGKTMDEHQ-GJZGRUSLSA-N 1 2 261.365 2.759 10 0 CFAELO CC[C@@H](C(=O)c1ccccc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000037338460 173139286 /nfs/dbraw/zinc/13/92/86/173139286.db2.gz AIZDLJGKTMDEHQ-GJZGRUSLSA-N 1 2 261.365 2.759 10 0 CFAELO CC[C@]([NH2+]C(C)C)(C(=O)OC)c1ccc(F)cc1 ZINC000037445685 173212123 /nfs/dbraw/zinc/21/21/23/173212123.db2.gz XUJSUFKJTFHDLZ-CQSZACIVSA-N 1 2 253.317 2.602 10 0 CFAELO CCOC(=O)[C@@](C)([NH2+]CC(C)C)c1ccc(F)cc1 ZINC000037966061 173911772 /nfs/dbraw/zinc/91/17/72/173911772.db2.gz DKZMWVVXWVVGPK-HNNXBMFYSA-N 1 2 267.344 2.850 10 0 CFAELO CCOC(=O)[C@H]([NH2+]C1CCCC1)c1ccc2c(c1)CCO2 ZINC000037970949 173921382 /nfs/dbraw/zinc/92/13/82/173921382.db2.gz LOSJXNJTHAMZCL-MRXNPFEDSA-N 1 2 289.375 2.758 10 0 CFAELO CCCCNC(=O)[C@H](C)n1cc[nH+]c1-c1ccc(N)cc1 ZINC000037974250 173928866 /nfs/dbraw/zinc/92/88/66/173928866.db2.gz SKIYLSVDOXVSSQ-LBPRGKRZSA-N 1 2 286.379 2.610 10 0 CFAELO CC[C@H](C)[NH2+][C@@]1(C(=O)OC)CCCc2ccccc21 ZINC000038066819 174078573 /nfs/dbraw/zinc/07/85/73/174078573.db2.gz ZHGLHVVEEWLKSZ-LRDDRELGSA-N 1 2 261.365 2.779 10 0 CFAELO COC(=O)Cn1c(CCc2ccccc2)[nH+]c2ccccc21 ZINC000040238308 174212247 /nfs/dbraw/zinc/21/22/47/174212247.db2.gz JIZXCLLUCWSUQM-UHFFFAOYSA-N 1 2 294.354 2.995 10 0 CFAELO CC(C)N1CC[NH+](Cc2cc3ccccc3cc2N)CC1 ZINC000040638392 174363013 /nfs/dbraw/zinc/36/30/13/174363013.db2.gz QUGLWRHFXHIEPV-UHFFFAOYSA-N 1 2 283.419 2.948 10 0 CFAELO CNc1[nH+]cnc(Nc2ccccc2C(F)(F)F)c1N ZINC000040701701 174379084 /nfs/dbraw/zinc/37/90/84/174379084.db2.gz JJHNUJLVFCLUJM-UHFFFAOYSA-N 1 2 283.257 2.863 10 0 CFAELO CNc1[nH+]cnc(Nc2ccccc2Br)c1N ZINC000040706966 174379390 /nfs/dbraw/zinc/37/93/90/174379390.db2.gz KXNRKCVJEFYLDL-UHFFFAOYSA-N 1 2 294.156 2.607 10 0 CFAELO CC(=O)c1ccc(Nc2nc[nH+]c(NC(C)C)c2N)cc1 ZINC000040708191 174380082 /nfs/dbraw/zinc/38/00/82/174380082.db2.gz ZVXROZWZZZHACF-UHFFFAOYSA-N 1 2 285.351 2.825 10 0 CFAELO CC(=O)c1ccc(Nc2[nH+]cnc(NC(C)C)c2N)cc1 ZINC000040708191 174380084 /nfs/dbraw/zinc/38/00/84/174380084.db2.gz ZVXROZWZZZHACF-UHFFFAOYSA-N 1 2 285.351 2.825 10 0 CFAELO CCc1[nH+]c2cc(C(=O)[O-])ccc2n1[C@@H]1CCC[N@H+](C)C1 ZINC000040716048 174383632 /nfs/dbraw/zinc/38/36/32/174383632.db2.gz XYFLWRKKJLFIDS-GFCCVEGCSA-N 1 2 287.363 2.564 10 0 CFAELO CCc1[nH+]c2cc(C(=O)[O-])ccc2n1[C@@H]1CCC[N@@H+](C)C1 ZINC000040716048 174383634 /nfs/dbraw/zinc/38/36/34/174383634.db2.gz XYFLWRKKJLFIDS-GFCCVEGCSA-N 1 2 287.363 2.564 10 0 CFAELO Nc1[nH+]cnc(Nc2ccc(Cl)cc2Cl)c1N ZINC000040723944 174386054 /nfs/dbraw/zinc/38/60/54/174386054.db2.gz VRLDCZVEKCGDLY-UHFFFAOYSA-N 1 2 270.123 2.691 10 0 CFAELO CCCCOc1ccc(Nc2[nH+]cnc(N)c2N)cc1 ZINC000040723803 174386177 /nfs/dbraw/zinc/38/61/77/174386177.db2.gz QXYOCRXQBAKLBN-UHFFFAOYSA-N 1 2 273.340 2.564 10 0 CFAELO CCCCOc1ccc(Nc2nc[nH+]c(N)c2N)cc1 ZINC000040723803 174386179 /nfs/dbraw/zinc/38/61/79/174386179.db2.gz QXYOCRXQBAKLBN-UHFFFAOYSA-N 1 2 273.340 2.564 10 0 CFAELO Nc1c(Nc2ccc(F)cc2F)nc[nH+]c1N1CCCC1 ZINC000040724544 174386730 /nfs/dbraw/zinc/38/67/30/174386730.db2.gz XHNMXKYEFRLMGL-UHFFFAOYSA-N 1 2 291.305 2.681 10 0 CFAELO C[C@@H](C(=O)c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C)C1 ZINC000042372049 174701909 /nfs/dbraw/zinc/70/19/09/174701909.db2.gz SYVSJVWIURFRDD-ZJUUUORDSA-N 1 2 253.292 2.878 10 0 CFAELO C[C@@H](C(=O)c1ccc(F)cc1F)[N@H+]1CC[C@@H](C)C1 ZINC000042372049 174701911 /nfs/dbraw/zinc/70/19/11/174701911.db2.gz SYVSJVWIURFRDD-ZJUUUORDSA-N 1 2 253.292 2.878 10 0 CFAELO Cc1occc1CN(C)c1[nH+]c(C)ccc1C(N)=S ZINC000043396790 175036382 /nfs/dbraw/zinc/03/63/82/175036382.db2.gz COOKYHXRKTUGHH-UHFFFAOYSA-N 1 2 275.377 2.562 10 0 CFAELO Cc1ccc(C(N)=S)c(NC(C2CC2)C2CC2)[nH+]1 ZINC000043396878 175036418 /nfs/dbraw/zinc/03/64/18/175036418.db2.gz LMTFDXSMCUGAAN-UHFFFAOYSA-N 1 2 261.394 2.625 10 0 CFAELO Cc1ccc(CN(C)c2[nH+]c(C)ccc2C(N)=S)o1 ZINC000043396658 175036442 /nfs/dbraw/zinc/03/64/42/175036442.db2.gz GYIHZHNUGOBZHH-UHFFFAOYSA-N 1 2 275.377 2.562 10 0 CFAELO CCCCN(c1[nH+]c(C)ccc1C(N)=S)C1CC1 ZINC000043396819 175036460 /nfs/dbraw/zinc/03/64/60/175036460.db2.gz UKDCUGBSAPPWPH-UHFFFAOYSA-N 1 2 263.410 2.793 10 0 CFAELO Nc1ccc(Cl)c(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000043423605 175039286 /nfs/dbraw/zinc/03/92/86/175039286.db2.gz BBXBVKJQTZIQOY-KBPBESRZSA-N 1 2 266.772 2.676 10 0 CFAELO Nc1ccc(Cl)c(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000043423605 175039287 /nfs/dbraw/zinc/03/92/87/175039287.db2.gz BBXBVKJQTZIQOY-KBPBESRZSA-N 1 2 266.772 2.676 10 0 CFAELO Oc1ccc(CNCC[NH+]2CCCCC2)cc1Cl ZINC000043488778 175056793 /nfs/dbraw/zinc/05/67/93/175056793.db2.gz PWWJCNVXYGXZLV-UHFFFAOYSA-N 1 2 268.788 2.621 10 0 CFAELO CCOC(=O)[C@H](C[C@H](C)c1ccccc1)[NH2+]C1CC1 ZINC000043535708 175063587 /nfs/dbraw/zinc/06/35/87/175063587.db2.gz GUKBVPYZZJQQTD-WFASDCNBSA-N 1 2 261.365 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KNPDLJVUUMJBER-SNVBAGLBSA-N 1 2 273.336 2.560 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H]2CCCC[C@H]2C)c1N ZINC000044589738 175212130 /nfs/dbraw/zinc/21/21/30/175212130.db2.gz WQPFEJVMEDWYSA-MWLCHTKSSA-N 1 2 265.357 2.702 10 0 CFAELO CC(C)Cc1noc([C@H]2[NH2+]CCc3sccc32)n1 ZINC000044592948 175214369 /nfs/dbraw/zinc/21/43/69/175214369.db2.gz ZXTXKJKNBAULKU-LBPRGKRZSA-N 1 2 263.366 2.565 10 0 CFAELO NC(=S)c1cc[nH+]c(N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000044660428 175226053 /nfs/dbraw/zinc/22/60/53/175226053.db2.gz BNJVURKWVPMCHV-STQMWFEESA-N 1 2 269.373 2.684 10 0 CFAELO COC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747172 175242443 /nfs/dbraw/zinc/24/24/43/175242443.db2.gz NFXGJKPWZXLCCL-HOTGVXAUSA-N 1 2 291.391 2.947 10 0 CFAELO CC[C@@H](C)[C@@H]([NH2+][C@@H]1CCCc2cc(O)ccc21)C(=O)OC ZINC000044747246 175242548 /nfs/dbraw/zinc/24/25/48/175242548.db2.gz IPDNVGNUGJEAAP-HFBAOOFYSA-N 1 2 291.391 2.947 10 0 CFAELO Cc1sc2[nH]c(=S)n(C[C@@H](C)[NH+](C)C)c(=O)c2c1C ZINC000045108779 175308877 /nfs/dbraw/zinc/30/88/77/175308877.db2.gz ROZXYDFMOAZJLV-SSDOTTSWSA-N 1 2 297.449 2.688 10 0 CFAELO CCOC(=O)[C@@](C)(CCN(CC)c1ccccc1C)[NH2+]C ZINC000045223086 175331167 /nfs/dbraw/zinc/33/11/67/175331167.db2.gz STSDIPKQFMAKCO-QGZVFWFLSA-N 1 2 292.423 2.753 10 0 CFAELO CCOC(=O)[C@@](C)(CCN(C)c1ccccc1)[NH2+]C(C)C ZINC000045227747 175333445 /nfs/dbraw/zinc/33/34/45/175333445.db2.gz BKAGSAVZQKOYEB-QGZVFWFLSA-N 1 2 292.423 2.833 10 0 CFAELO CCC1CCC([N@H+](C)C[C@@](C)([NH2+]C(C)C)C(=O)[O-])CC1 ZINC000045281082 175351546 /nfs/dbraw/zinc/35/15/46/175351546.db2.gz MMDLANGTQXKFFF-ZBCRRDGASA-N 1 2 284.444 2.728 10 0 CFAELO CCC1CCC([N@@H+](C)C[C@@](C)([NH2+]C(C)C)C(=O)[O-])CC1 ZINC000045281082 175351547 /nfs/dbraw/zinc/35/15/47/175351547.db2.gz MMDLANGTQXKFFF-ZBCRRDGASA-N 1 2 284.444 2.728 10 0 CFAELO Cc1[nH+]c2cc(CNC(=O)c3ccc(F)cc3)ccc2n1C ZINC000074998955 176649590 /nfs/dbraw/zinc/64/95/90/176649590.db2.gz FBGYJOBPZISEKL-UHFFFAOYSA-N 1 2 297.333 2.951 10 0 CFAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccccc1OC(F)F ZINC000077367693 177258522 /nfs/dbraw/zinc/25/85/22/177258522.db2.gz VIEIJQZLUGPYPC-GHMZBOCLSA-N 1 2 271.307 2.897 10 0 CFAELO CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000218200430 263087888 /nfs/dbraw/zinc/08/78/88/263087888.db2.gz PCJWBASCKPHYKQ-MNOVXSKESA-N 1 2 281.318 2.993 10 0 CFAELO CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000218200430 263087889 /nfs/dbraw/zinc/08/78/89/263087889.db2.gz PCJWBASCKPHYKQ-MNOVXSKESA-N 1 2 281.318 2.993 10 0 CFAELO CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000227035262 270257461 /nfs/dbraw/zinc/25/74/61/270257461.db2.gz LDTSBFQYCLSPNV-MNOVXSKESA-N 1 2 281.318 2.993 10 0 CFAELO CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000227035262 270257463 /nfs/dbraw/zinc/25/74/63/270257463.db2.gz LDTSBFQYCLSPNV-MNOVXSKESA-N 1 2 281.318 2.993 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(c1cncc(Cl)n1)C2 ZINC000108952487 276066318 /nfs/dbraw/zinc/06/63/18/276066318.db2.gz FKHHJCIKFDRPKD-UHFFFAOYSA-N 1 2 291.786 2.550 10 0 CFAELO CNc1nc(N2CCC(C)(C)C2)[nH+]cc1Br ZINC000132988635 277045805 /nfs/dbraw/zinc/04/58/05/277045805.db2.gz XQXZEACVDMGELS-UHFFFAOYSA-N 1 2 285.189 2.517 10 0 CFAELO CNc1nc(N2CC[C@H](C)[C@@H]2C)[nH+]cc1Br ZINC000302558463 277305111 /nfs/dbraw/zinc/30/51/11/277305111.db2.gz SRWXBMZMGJYUPP-YUMQZZPRSA-N 1 2 285.189 2.516 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(c1nc3ccccc3[nH]1)C2 ZINC000134961582 278076235 /nfs/dbraw/zinc/07/62/35/278076235.db2.gz XUVAEQVUFWDSIB-UHFFFAOYSA-N 1 2 295.390 2.983 10 0 CFAELO CCO[C@H]1C[C@H](N(C)c2cc(C)[nH+]cn2)C12CCCC2 ZINC000156888230 279928968 /nfs/dbraw/zinc/92/89/68/279928968.db2.gz YNIIVELYFWJLDH-KBPBESRZSA-N 1 2 275.396 2.959 10 0 CFAELO CCCC[C@@H]([NH2+][C@@H]1CCSC1)C(=O)OC(C)(C)C ZINC000154840432 289905246 /nfs/dbraw/zinc/90/52/46/289905246.db2.gz YCFAFVYPIXYHQS-VXGBXAGGSA-N 1 2 273.442 2.982 10 0 CFAELO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(F)cc1F ZINC000176683834 290051208 /nfs/dbraw/zinc/05/12/08/290051208.db2.gz LWPMSUMNLBGLEQ-ZANVPECISA-N 1 2 278.306 2.742 10 0 CFAELO Clc1cccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)n1 ZINC000227327244 294111932 /nfs/dbraw/zinc/11/19/32/294111932.db2.gz DYXULGBYKQMLJU-OLZOCXBDSA-N 1 2 266.772 2.878 10 0 CFAELO Clc1cccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)n1 ZINC000227327244 294111936 /nfs/dbraw/zinc/11/19/36/294111936.db2.gz DYXULGBYKQMLJU-OLZOCXBDSA-N 1 2 266.772 2.878 10 0 CFAELO Fc1cccc(Cl)c1[C@@H]1[NH2+]CCn2cccc21 ZINC000031890017 294759884 /nfs/dbraw/zinc/75/98/84/294759884.db2.gz TXEDCDPXDUMHHY-CYBMUJFWSA-N 1 2 250.704 2.973 10 0 CFAELO NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247584892 295099367 /nfs/dbraw/zinc/09/93/67/295099367.db2.gz ZIXBTPSMXDSJBK-DZGCQCFKSA-N 1 2 288.322 2.782 10 0 CFAELO NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000247584892 295099368 /nfs/dbraw/zinc/09/93/68/295099368.db2.gz ZIXBTPSMXDSJBK-DZGCQCFKSA-N 1 2 288.322 2.782 10 0 CFAELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000248542860 298224073 /nfs/dbraw/zinc/22/40/73/298224073.db2.gz CQXYUCHXZQBCFJ-VXGBXAGGSA-N 1 2 271.401 2.606 10 0 CFAELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000248542860 298224078 /nfs/dbraw/zinc/22/40/78/298224078.db2.gz CQXYUCHXZQBCFJ-VXGBXAGGSA-N 1 2 271.401 2.606 10 0 CFAELO CCCCCCOCC[C@H]([NH2+]CC)C(=O)OCC ZINC000062542375 520101002 /nfs/dbraw/zinc/10/10/02/520101002.db2.gz WEFNKOMPSMMIEC-ZDUSSCGKSA-N 1 2 259.390 2.515 10 0 CFAELO CCNc1snnc1C[N@H+](C)C1CCCCC1 ZINC000050792755 520384045 /nfs/dbraw/zinc/38/40/45/520384045.db2.gz UKGCMDZXMKSTGC-UHFFFAOYSA-N 1 2 254.403 2.734 10 0 CFAELO CCNc1snnc1C[N@@H+](C)C1CCCCC1 ZINC000050792755 520384052 /nfs/dbraw/zinc/38/40/52/520384052.db2.gz UKGCMDZXMKSTGC-UHFFFAOYSA-N 1 2 254.403 2.734 10 0 CFAELO CCOC(=O)[C@@H](C)N[C@H](C)c1c(C)cc(C)[nH+]c1C ZINC000049370948 521027949 /nfs/dbraw/zinc/02/79/49/521027949.db2.gz KOEOPBYOSMNBFI-CHWSQXEVSA-N 1 2 264.369 2.609 10 0 CFAELO CC(C)[N@H+](Cc1nnsc1N)Cc1ccccc1 ZINC000050792995 519664158 /nfs/dbraw/zinc/66/41/58/519664158.db2.gz MLKITLUQYVBGLI-UHFFFAOYSA-N 1 2 262.382 2.531 10 0 CFAELO CC(C)CC[C@@H](C)Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000069235642 519682666 /nfs/dbraw/zinc/68/26/66/519682666.db2.gz OFBMXAFBMOIONK-SNVBAGLBSA-N 1 2 294.790 2.947 10 0 CFAELO CCCCCCOCC[C@@H]([NH2+]CCC)C(=O)OC ZINC000062542369 520099832 /nfs/dbraw/zinc/09/98/32/520099832.db2.gz IAWHPDJFIREMLM-CYBMUJFWSA-N 1 2 259.390 2.515 10 0 CFAELO CC[NH2+][C@@H](c1nnc(C(F)F)o1)c1ccccc1 ZINC000050618135 520114172 /nfs/dbraw/zinc/11/41/72/520114172.db2.gz PYVKDUDZDDYRJO-SECBINFHSA-N 1 2 253.252 2.706 10 0 CFAELO CCCCCC[C@@H](C)OCC[C@@H]([NH2+]CC)C(=O)OC ZINC000062542693 520119753 /nfs/dbraw/zinc/11/97/53/520119753.db2.gz RXQQNEKWAYPPIR-ZIAGYGMSSA-N 1 2 273.417 2.903 10 0 CFAELO CC[NH2+][C@@](C)(CCOc1cccc(CC)c1)C(=O)OCC ZINC000045504310 520134158 /nfs/dbraw/zinc/13/41/58/520134158.db2.gz KNMVOWXTHPWOHA-KRWDZBQOSA-N 1 2 293.407 2.949 10 0 CFAELO CCNc1cc(C)[nH+]c(Cc2ccccc2OC)n1 ZINC000050848860 520270980 /nfs/dbraw/zinc/27/09/80/520270980.db2.gz DWMUKDFYLDCCRZ-UHFFFAOYSA-N 1 2 257.337 2.816 10 0 CFAELO CCNc1cc(CSc2ncc(C)cn2)cc[nH+]1 ZINC000052756623 520273102 /nfs/dbraw/zinc/27/31/02/520273102.db2.gz QOYZZPCQHMGYNF-UHFFFAOYSA-N 1 2 260.366 2.904 10 0 CFAELO CCNc1ccc(Cn2cc(Br)cn2)c[nH+]1 ZINC000050829797 520317223 /nfs/dbraw/zinc/31/72/23/520317223.db2.gz KLIUZHPTCYDHSP-UHFFFAOYSA-N 1 2 281.157 2.521 10 0 CFAELO CCNc1snnc1C[N@H+](C)[C@@H](C)CC(C)C ZINC000050817437 520384508 /nfs/dbraw/zinc/38/45/08/520384508.db2.gz HZZSIBDWBAFDCL-JTQLQIEISA-N 1 2 256.419 2.836 10 0 CFAELO CCNc1snnc1C[N@@H+](C)[C@@H](C)CC(C)C ZINC000050817437 520384511 /nfs/dbraw/zinc/38/45/11/520384511.db2.gz HZZSIBDWBAFDCL-JTQLQIEISA-N 1 2 256.419 2.836 10 0 CFAELO CCNc1snnc1C[N@H+](C)[C@H](C)C(C)(C)C ZINC000050814913 520385001 /nfs/dbraw/zinc/38/50/01/520385001.db2.gz WIOQFXXADBOXIC-SECBINFHSA-N 1 2 256.419 2.836 10 0 CFAELO CCNc1snnc1C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000050814913 520385004 /nfs/dbraw/zinc/38/50/04/520385004.db2.gz WIOQFXXADBOXIC-SECBINFHSA-N 1 2 256.419 2.836 10 0 CFAELO CCNc1snnc1Cn1c(C)[nH+]c2ccccc21 ZINC000050829166 520390285 /nfs/dbraw/zinc/39/02/85/520390285.db2.gz NOHVCNLTKHILET-UHFFFAOYSA-N 1 2 273.365 2.676 10 0 CFAELO CC[N@H+](CC1(CO)CCOCC1)c1ccccc1C ZINC000052199212 520938219 /nfs/dbraw/zinc/93/82/19/520938219.db2.gz IXMXAHBGVMAPLB-UHFFFAOYSA-N 1 2 263.381 2.610 10 0 CFAELO CC[N@@H+](CC1(CO)CCOCC1)c1ccccc1C ZINC000052199212 520938232 /nfs/dbraw/zinc/93/82/32/520938232.db2.gz IXMXAHBGVMAPLB-UHFFFAOYSA-N 1 2 263.381 2.610 10 0 CFAELO CCOC(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000049370996 521026902 /nfs/dbraw/zinc/02/69/02/521026902.db2.gz PVYDBXUQZZNWDA-RISCZKNCSA-N 1 2 277.364 2.614 10 0 CFAELO CCCC[C@@](CC)([NH2+]C[C@H]1CCCO1)C(=O)OCC ZINC000069381803 521123262 /nfs/dbraw/zinc/12/32/62/521123262.db2.gz YKDVSVZPDLEWCX-UKRRQHHQSA-N 1 2 271.401 2.657 10 0 CFAELO CCOC(=O)[C@](C)(CCOc1c(C)cccc1C)[NH2+]C ZINC000045509259 521320760 /nfs/dbraw/zinc/32/07/60/521320760.db2.gz CWKPZFPFYVSFND-INIZCTEOSA-N 1 2 279.380 2.614 10 0 CFAELO CCOc1ccccc1-c1cn2cc(N)ccc2[nH+]1 ZINC000069370020 521438645 /nfs/dbraw/zinc/43/86/45/521438645.db2.gz QXSCMOWGFQKFEQ-UHFFFAOYSA-N 1 2 253.305 2.982 10 0 CFAELO C[NH+](C)c1ccc(NCCOCC(F)(F)F)cc1 ZINC000049310988 522236084 /nfs/dbraw/zinc/23/60/84/522236084.db2.gz BYABTKKZXWUSPR-UHFFFAOYSA-N 1 2 262.275 2.743 10 0 CFAELO CCc1nnc(C[N@@H+]2CCC[C@@H](c3nc(C)cs3)C2)[nH]1 ZINC000158115895 522306643 /nfs/dbraw/zinc/30/66/43/522306643.db2.gz PDECOSWGTLLPQZ-LLVKDONJSA-N 1 2 291.424 2.512 10 0 CFAELO CCc1nnc(C[N@H+]2CCC[C@@H](c3nc(C)cs3)C2)[nH]1 ZINC000158115895 522306651 /nfs/dbraw/zinc/30/66/51/522306651.db2.gz PDECOSWGTLLPQZ-LLVKDONJSA-N 1 2 291.424 2.512 10 0 CFAELO CNc1cc(C)[nH+]c(-c2cc(F)c(F)c(F)c2)n1 ZINC000050848700 522565948 /nfs/dbraw/zinc/56/59/48/522565948.db2.gz YFBLUBPCMNOVFZ-UHFFFAOYSA-N 1 2 253.227 2.911 10 0 CFAELO 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CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2N)CCO1 ZINC000050442924 523287415 /nfs/dbraw/zinc/28/74/15/523287415.db2.gz ZNAZYHGWGCNIOX-LBPRGKRZSA-N 1 2 254.761 2.533 10 0 CFAELO CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2N)CCO1 ZINC000050442924 523287404 /nfs/dbraw/zinc/28/74/04/523287404.db2.gz ZNAZYHGWGCNIOX-LBPRGKRZSA-N 1 2 254.761 2.533 10 0 CFAELO CC[C@H]1C[N@@H+](Cc2cc3ccccc3nc2NC)CCO1 ZINC000050813698 523290504 /nfs/dbraw/zinc/29/05/04/523290504.db2.gz VRZXOXGEFZUARB-HNNXBMFYSA-N 1 2 285.391 2.887 10 0 CFAELO CC[C@H]1C[N@H+](Cc2cc3ccccc3nc2NC)CCO1 ZINC000050813698 523290498 /nfs/dbraw/zinc/29/04/98/523290498.db2.gz VRZXOXGEFZUARB-HNNXBMFYSA-N 1 2 285.391 2.887 10 0 CFAELO CCn1cc[nH+]c1CNc1cc(F)cc(F)c1F ZINC000061095695 523542901 /nfs/dbraw/zinc/54/29/01/523542901.db2.gz YRUQOVGZTUWCTL-UHFFFAOYSA-N 1 2 255.243 2.932 10 0 CFAELO CN(Cc1[nH+]ccn1C)c1ccc(-c2ccc(F)cc2)nn1 ZINC000156906149 523592922 /nfs/dbraw/zinc/59/29/22/523592922.db2.gz KDBSYNJCCFUVHU-UHFFFAOYSA-N 1 2 297.337 2.653 10 0 CFAELO 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CFAELO C[C@H](Cc1ccsc1)Nc1cc(C(N)=S)cc[nH+]1 ZINC000049186074 524764306 /nfs/dbraw/zinc/76/43/06/524764306.db2.gz PSEHSPWMYVRHEB-SECBINFHSA-N 1 2 277.418 2.820 10 0 CFAELO C[C@H]1C[C@@H]1Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000052291976 524855210 /nfs/dbraw/zinc/85/52/10/524855210.db2.gz FADDMDUCESPHPL-GWCFXTLKSA-N 1 2 265.320 2.636 10 0 CFAELO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C(F)(F)F)cc1N ZINC000049234828 524965684 /nfs/dbraw/zinc/96/56/84/524965684.db2.gz DLSORLDFEJZWER-VIFPVBQESA-N 1 2 284.285 2.985 10 0 CFAELO Cc1cc(N[C@H](C)COCc2ccccc2)nc[nH+]1 ZINC000361295955 525301108 /nfs/dbraw/zinc/30/11/08/525301108.db2.gz MCEMQWAXHDFVOP-CYBMUJFWSA-N 1 2 257.337 2.802 10 0 CFAELO C[C@H]([NH2+]c1ccc(N)c(C(N)=O)c1)C1CCCCC1 ZINC000052344751 525652696 /nfs/dbraw/zinc/65/26/96/525652696.db2.gz QIDMLIKKIFUJFE-JTQLQIEISA-N 1 2 261.369 2.748 10 0 CFAELO CSC[C@H](C)Cn1c2ccc(N)cc2[nH+]c1[C@@H](C)O ZINC000069444400 525684542 /nfs/dbraw/zinc/68/45/42/525684542.db2.gz UEAFLSBRTCACBY-NXEZZACHSA-N 1 2 279.409 2.671 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CFAELO Cc1csc([C@@H]2C[N@H+](CCOC(C)(C)C)CCO2)n1 ZINC000195396651 526423434 /nfs/dbraw/zinc/42/34/34/526423434.db2.gz ZKNRZPCFDIDNHT-LBPRGKRZSA-N 1 2 284.425 2.640 10 0 CFAELO Cc1csc([C@@H]2C[N@@H+](CCOC(C)(C)C)CCO2)n1 ZINC000195396651 526423439 /nfs/dbraw/zinc/42/34/39/526423439.db2.gz ZKNRZPCFDIDNHT-LBPRGKRZSA-N 1 2 284.425 2.640 10 0 CFAELO c1cn2cc(C[N@@H+]3CCCC[C@@H]3c3cn[nH]c3)nc2s1 ZINC000172271953 526538352 /nfs/dbraw/zinc/53/83/52/526538352.db2.gz ZCWUOADKOMFZON-CYBMUJFWSA-N 1 2 287.392 2.846 10 0 CFAELO c1cn2cc(C[N@H+]3CCCC[C@@H]3c3cn[nH]c3)nc2s1 ZINC000172271953 526538361 /nfs/dbraw/zinc/53/83/61/526538361.db2.gz ZCWUOADKOMFZON-CYBMUJFWSA-N 1 2 287.392 2.846 10 0 CFAELO Clc1nnc(NCCn2cc[nH+]c2)c2ccccc12 ZINC000050529817 527012068 /nfs/dbraw/zinc/01/20/68/527012068.db2.gz GZGAWJPGUOAPRO-UHFFFAOYSA-N 1 2 273.727 2.592 10 0 CFAELO NC(=S)c1cc(NCCc2ccccc2F)cc[nH+]1 ZINC000061812035 527116257 /nfs/dbraw/zinc/11/62/57/527116257.db2.gz YHZONQVBGXRKGE-UHFFFAOYSA-N 1 2 275.352 2.510 10 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CCn1cc([C@@H]2C[N@@H+](Cc3cccc(F)c3)CCO2)cn1 ZINC000191699645 536092163 /nfs/dbraw/zinc/09/21/63/536092163.db2.gz YJCSDZKIRNCBDQ-INIZCTEOSA-N 1 2 289.354 2.616 10 0 CFAELO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cc[nH]c3)n2)c1 ZINC000237350696 537071185 /nfs/dbraw/zinc/07/11/85/537071185.db2.gz LMGYKNBSPNKFGE-LLVKDONJSA-N 1 2 298.346 2.924 10 0 CFAELO CS[C@@H]1CCC[C@@H]1[N@H+](C)Cc1noc(C2CC2)n1 ZINC000227271447 623102591 /nfs/dbraw/zinc/10/25/91/623102591.db2.gz KFPUOJIMQSJUSM-WDEREUQCSA-N 1 2 267.398 2.663 10 0 CFAELO CS[C@@H]1CCC[C@@H]1[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000227271447 623102594 /nfs/dbraw/zinc/10/25/94/623102594.db2.gz KFPUOJIMQSJUSM-WDEREUQCSA-N 1 2 267.398 2.663 10 0 CFAELO c1ccc2[nH]c(C[N@@H+]3CC[C@@H](Oc4cccnc4)C3)nc2c1 ZINC000131348875 645705720 /nfs/dbraw/zinc/70/57/20/645705720.db2.gz MNDSHRWEYVICJD-CQSZACIVSA-N 1 2 294.358 2.611 10 0 CFAELO c1ccc2[nH]c(C[N@H+]3CC[C@@H](Oc4cccnc4)C3)nc2c1 ZINC000131348875 645705723 /nfs/dbraw/zinc/70/57/23/645705723.db2.gz MNDSHRWEYVICJD-CQSZACIVSA-N 1 2 294.358 2.611 10 0 CFAELO CCOC(=O)c1cn(C(C)(C)C)c2[nH+]c(N)ccc12 ZINC000095937243 185034341 /nfs/dbraw/zinc/03/43/41/185034341.db2.gz BMWMHZVHXBXTBC-UHFFFAOYSA-N 1 2 261.325 2.550 10 0 CFAELO Nc1ccc(-c2cnn(Cc3ccccc3)c2)c[nH+]1 ZINC000082730002 178247241 /nfs/dbraw/zinc/24/72/41/178247241.db2.gz OIYBVEAOTQDYNH-UHFFFAOYSA-N 1 2 250.305 2.576 10 0 CFAELO CCS(=O)(=O)CC[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124782771 187154108 /nfs/dbraw/zinc/15/41/08/187154108.db2.gz GESDFKVFLUAUPQ-ZDUSSCGKSA-N 1 2 285.409 2.550 10 0 CFAELO CCS(=O)(=O)CC[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124782771 187154109 /nfs/dbraw/zinc/15/41/09/187154109.db2.gz GESDFKVFLUAUPQ-ZDUSSCGKSA-N 1 2 285.409 2.550 10 0 CFAELO CNc1[nH+]ccc2c(N)c(Br)ccc21 ZINC000082765695 178278995 /nfs/dbraw/zinc/27/89/95/178278995.db2.gz YVMSQWQAFYRVTI-UHFFFAOYSA-N 1 2 252.115 2.621 10 0 CFAELO C[C@@H]1CCCN(c2cc(NCc3ccncc3)[nH+]cn2)C1 ZINC000130640637 136388706 /nfs/dbraw/zinc/38/87/06/136388706.db2.gz UWTHPZJILVUBCH-CYBMUJFWSA-N 1 2 283.379 2.720 10 0 CFAELO C[C@@H]1CCCN(c2cc(NCc3ccncc3)nc[nH+]2)C1 ZINC000130640637 136388707 /nfs/dbraw/zinc/38/87/07/136388707.db2.gz UWTHPZJILVUBCH-CYBMUJFWSA-N 1 2 283.379 2.720 10 0 CFAELO Cc1cc2[nH+]cn(Cc3ncnn3C(C)C)c2cc1C ZINC000128316397 187364063 /nfs/dbraw/zinc/36/40/63/187364063.db2.gz IFGKQUZLFIKYND-UHFFFAOYSA-N 1 2 269.352 2.874 10 0 CFAELO O[C@@H]1OCC[N@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000034573501 346318303 /nfs/dbraw/zinc/31/83/03/346318303.db2.gz LMEFHDJFPPYPBL-DLBZAZTESA-N 1 2 269.344 2.579 10 0 CFAELO O[C@@H]1OCC[N@@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000034573501 346318306 /nfs/dbraw/zinc/31/83/06/346318306.db2.gz LMEFHDJFPPYPBL-DLBZAZTESA-N 1 2 269.344 2.579 10 0 CFAELO Cc1[nH+]cn(-c2ncc(Br)cc2C)c1C ZINC000130098492 347867736 /nfs/dbraw/zinc/86/77/36/347867736.db2.gz HZJZAQZVUFBFAN-UHFFFAOYSA-N 1 2 266.142 2.955 10 0 CFAELO CCCc1[nH+]c(C)cn1-c1nc(C)sc1NC(C)=O ZINC000146987465 347946329 /nfs/dbraw/zinc/94/63/29/347946329.db2.gz QXGYRJILHCZHHH-UHFFFAOYSA-N 1 2 278.381 2.857 10 0 CFAELO Cc1ccoc1[C@H]([NH3+])c1occc1Br ZINC000163891664 348035364 /nfs/dbraw/zinc/03/53/64/348035364.db2.gz ZAWHOTOAOKBFGN-QMMMGPOBSA-N 1 2 256.099 2.992 10 0 CFAELO COc1ccc(Br)c2cc(N)[nH+]cc12 ZINC000165386995 348039274 /nfs/dbraw/zinc/03/92/74/348039274.db2.gz LRIFNGNTKRMFFU-UHFFFAOYSA-N 1 2 253.099 2.588 10 0 CFAELO Fc1cc2c(cc1Br)-c1[nH+]ccn1CCO2 ZINC000215733254 348163108 /nfs/dbraw/zinc/16/31/08/348163108.db2.gz FWGYQTRNKBRGRC-UHFFFAOYSA-N 1 2 283.100 2.844 10 0 CFAELO CCOc1ccc([NH2+][C@H]2CCCOCC2)cc1CO ZINC000086873924 179364806 /nfs/dbraw/zinc/36/48/06/179364806.db2.gz UMCMERGIPHMVFW-ZDUSSCGKSA-N 1 2 265.353 2.559 10 0 CFAELO O=C1C[NH2+]Cc2ccccc2N1Cc1ccc(Cl)cc1 ZINC000087882325 179510005 /nfs/dbraw/zinc/51/00/05/179510005.db2.gz OYXIHOVGTTZOLG-UHFFFAOYSA-N 1 2 286.762 2.976 10 0 CFAELO CC[C@@H]([NH2+]Cc1csnn1)c1cccc([N+](=O)[O-])c1 ZINC000398293602 348566896 /nfs/dbraw/zinc/56/68/96/348566896.db2.gz JKCCVYKJJMOZNA-GFCCVEGCSA-N 1 2 278.337 2.687 10 0 CFAELO CCNc1c(N)c[nH+]c2c(Br)ccc(F)c12 ZINC000584882344 348725896 /nfs/dbraw/zinc/72/58/96/348725896.db2.gz DBPRAWAWMPGRQI-UHFFFAOYSA-N 1 2 284.132 2.572 10 0 CFAELO CNc1c(N)c[nH+]c2c(Cl)ccc(Br)c12 ZINC000584882858 348726727 /nfs/dbraw/zinc/72/67/27/348726727.db2.gz WZUVWZRPWHDPSJ-UHFFFAOYSA-N 1 2 286.560 2.697 10 0 CFAELO O=C(Cc1cccc2[nH+]ccn21)Nc1ccc(F)cc1F ZINC000584605607 348687788 /nfs/dbraw/zinc/68/77/88/348687788.db2.gz YMLRLIUBYOIQBE-UHFFFAOYSA-N 1 2 287.269 2.794 10 0 CFAELO CCn1c2ccccc2c2c1[C@H]1CC(=O)CC[N@@H+]1CC2 ZINC000584605950 348688156 /nfs/dbraw/zinc/68/81/56/348688156.db2.gz SLCRSQSWBVKGAY-MRXNPFEDSA-N 1 2 268.360 2.923 10 0 CFAELO CCn1c2ccccc2c2c1[C@H]1CC(=O)CC[N@H+]1CC2 ZINC000584605950 348688159 /nfs/dbraw/zinc/68/81/59/348688159.db2.gz SLCRSQSWBVKGAY-MRXNPFEDSA-N 1 2 268.360 2.923 10 0 CFAELO OCc1cc(OC2C3CC4CC(C3)CC2C4)cc[nH+]1 ZINC000584629493 348695113 /nfs/dbraw/zinc/69/51/13/348695113.db2.gz VBOOLRFZDMCKRS-UHFFFAOYSA-N 1 2 259.349 2.777 10 0 CFAELO Cc1ccc(C[NH2+]Cc2nc3ccccc3n2C)nc1 ZINC000400938315 539733546 /nfs/dbraw/zinc/73/35/46/539733546.db2.gz RLPPSYUZKTVKJX-UHFFFAOYSA-N 1 2 266.348 2.567 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)C2 ZINC000220576734 539751885 /nfs/dbraw/zinc/75/18/85/539751885.db2.gz KLVQOXPORNAMIX-NTZNESFSSA-N 1 2 275.396 2.613 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)CC2 ZINC000220576734 539751890 /nfs/dbraw/zinc/75/18/90/539751890.db2.gz KLVQOXPORNAMIX-NTZNESFSSA-N 1 2 275.396 2.613 10 0 CFAELO Clc1cc(C[NH2+]Cc2cscn2)cc2c1OCO2 ZINC000104448646 186005710 /nfs/dbraw/zinc/00/57/10/186005710.db2.gz WENWHKJBANXFSH-UHFFFAOYSA-N 1 2 282.752 2.815 10 0 CFAELO CC(C)n1cc[nH+]c1CSCc1ccnn1C ZINC000091036444 180090763 /nfs/dbraw/zinc/09/07/63/180090763.db2.gz JAWBBKSBHXTCMY-UHFFFAOYSA-N 1 2 250.371 2.631 10 0 CFAELO CC(C)[C@@H](C)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000105076035 186040767 /nfs/dbraw/zinc/04/07/67/186040767.db2.gz JTUVJXSGKDCBLF-CYBMUJFWSA-N 1 2 278.400 2.617 10 0 CFAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3nccn3C(C)C)C2)c1 ZINC000105901808 186088276 /nfs/dbraw/zinc/08/82/76/186088276.db2.gz HBOJJZNSAQEFQX-OAHLLOKOSA-N 1 2 287.411 2.806 10 0 CFAELO Cc1cnn([C@@H]2CCC[N@H+](Cc3nccn3C(C)C)C2)c1 ZINC000105901808 186088277 /nfs/dbraw/zinc/08/82/77/186088277.db2.gz HBOJJZNSAQEFQX-OAHLLOKOSA-N 1 2 287.411 2.806 10 0 CFAELO COC(=O)c1ccccc1NCc1[nH+]ccn1C(C)C ZINC000123723645 187105973 /nfs/dbraw/zinc/10/59/73/187105973.db2.gz BTZBZVSAHZGTQI-UHFFFAOYSA-N 1 2 273.336 2.863 10 0 CFAELO CCOC(=O)N1CCc2ccccc2[C@H]1c1cc[nH+]c(N)c1 ZINC000616584125 352375502 /nfs/dbraw/zinc/37/55/02/352375502.db2.gz HYNRXIBVFVKGQK-MRXNPFEDSA-N 1 2 297.358 2.598 10 0 CFAELO c1cc([C@H]2COCCC[N@H+]2Cc2ccccc2)no1 ZINC000616645782 352397245 /nfs/dbraw/zinc/39/72/45/352397245.db2.gz CMMIMYHVIBPMMB-OAHLLOKOSA-N 1 2 258.321 2.638 10 0 CFAELO c1cc([C@H]2COCCC[N@@H+]2Cc2ccccc2)no1 ZINC000616645782 352397249 /nfs/dbraw/zinc/39/72/49/352397249.db2.gz CMMIMYHVIBPMMB-OAHLLOKOSA-N 1 2 258.321 2.638 10 0 CFAELO CCN1c2ccccc2NC[C@@H]1c1ccc[nH+]c1N ZINC000616681910 352411176 /nfs/dbraw/zinc/41/11/76/352411176.db2.gz AIIJJRDSROYBPW-CQSZACIVSA-N 1 2 254.337 2.657 10 0 CFAELO CCOC(=O)N1C[C@H](c2c[nH+]c[nH]2)Nc2ccccc21 ZINC000616683720 352412100 /nfs/dbraw/zinc/41/21/00/352412100.db2.gz HEAOYWMPIHWFCZ-GFCCVEGCSA-N 1 2 272.308 2.539 10 0 CFAELO CCOC(=O)N1C[C@H](c2c[nH]c[nH+]2)Nc2ccccc21 ZINC000616683720 352412102 /nfs/dbraw/zinc/41/21/02/352412102.db2.gz HEAOYWMPIHWFCZ-GFCCVEGCSA-N 1 2 272.308 2.539 10 0 CFAELO CCOC(=O)N1C[C@@H](c2cccc(N)[nH+]2)Cc2ccccc21 ZINC000616671292 352407154 /nfs/dbraw/zinc/40/71/54/352407154.db2.gz LEUBKVSVBXLLNW-ZDUSSCGKSA-N 1 2 297.358 2.967 10 0 CFAELO CCOC(=O)N1CC[C@H](c2[nH]cc[nH+]2)c2ccccc21 ZINC000616673726 352407881 /nfs/dbraw/zinc/40/78/81/352407881.db2.gz DZCGJSUDSWNGRM-LBPRGKRZSA-N 1 2 271.320 2.908 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C=C1CCC1)C2 ZINC000154470391 188144277 /nfs/dbraw/zinc/14/42/77/188144277.db2.gz KZGUWMZTWSDKIL-UHFFFAOYSA-N 1 2 273.380 2.539 10 0 CFAELO Cc1cnc([C@H](C)[NH2+]Cc2cnc3ccccc3n2)o1 ZINC000231740950 540238915 /nfs/dbraw/zinc/23/89/15/540238915.db2.gz MWWGCEYAWHMKMZ-NSHDSACASA-N 1 2 268.320 2.777 10 0 CFAELO C[C@@H](CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1)c1cccnc1 ZINC000329373465 202306743 /nfs/dbraw/zinc/30/67/43/202306743.db2.gz NADXVRKCRVZZNR-JSGCOSHPSA-N 1 2 284.363 2.662 10 0 CFAELO Cc1ccc(NC(=O)N[C@H]2COc3ccccc32)c(C)[nH+]1 ZINC000176783511 189009157 /nfs/dbraw/zinc/00/91/57/189009157.db2.gz YJHLFLAZLXLVON-AWEZNQCLSA-N 1 2 283.331 2.954 10 0 CFAELO CC(C)n1cc[nH+]c1C[S@](=O)c1ccccc1F ZINC000177081036 189027250 /nfs/dbraw/zinc/02/72/50/189027250.db2.gz CGSPOPAUHYOOSK-SFHVURJKSA-N 1 2 266.341 2.911 10 0 CFAELO COc1ccccc1[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000177101106 189028478 /nfs/dbraw/zinc/02/84/78/189028478.db2.gz CGBZFRSKSBQKIR-LJQANCHMSA-N 1 2 278.377 2.780 10 0 CFAELO O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177754788 189067338 /nfs/dbraw/zinc/06/73/38/189067338.db2.gz MXPYAVGDZUCNKQ-OAHLLOKOSA-N 1 2 294.358 2.669 10 0 CFAELO O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177798408 189070063 /nfs/dbraw/zinc/07/00/63/189070063.db2.gz ODSXNDNDWJQECH-CQSZACIVSA-N 1 2 289.766 2.841 10 0 CFAELO O=C(c1coc2ccccc12)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177815142 189071816 /nfs/dbraw/zinc/07/18/16/189071816.db2.gz PJXZMMGDOBRSEH-CYBMUJFWSA-N 1 2 295.342 2.934 10 0 CFAELO C[C@H]([NH2+]Cc1ccn(C)n1)c1cc(F)ccc1F ZINC000112340249 540910328 /nfs/dbraw/zinc/91/03/28/540910328.db2.gz ZPMHLUAIYABUQI-VIFPVBQESA-N 1 2 251.280 2.549 10 0 CFAELO Cc1cnc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000180586716 189263320 /nfs/dbraw/zinc/26/33/20/189263320.db2.gz JWFSJKRREFOXPV-GFCCVEGCSA-N 1 2 262.382 2.902 10 0 CFAELO Cc1cnc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000180586716 189263321 /nfs/dbraw/zinc/26/33/21/189263321.db2.gz JWFSJKRREFOXPV-GFCCVEGCSA-N 1 2 262.382 2.902 10 0 CFAELO CCn1c(C)nnc1C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000180859013 189279973 /nfs/dbraw/zinc/27/99/73/189279973.db2.gz OATREDUXXRFJIZ-UHFFFAOYSA-N 1 2 294.349 2.910 10 0 CFAELO CCc1nnc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)n1C ZINC000180867998 189280567 /nfs/dbraw/zinc/28/05/67/189280567.db2.gz FAUYSNKTYRRSDS-UHFFFAOYSA-N 1 2 294.349 2.681 10 0 CFAELO CC[S@](=O)[C@H]1CCC[C@H](Nc2cccc[nH+]2)C1 ZINC000301536146 201054433 /nfs/dbraw/zinc/05/44/33/201054433.db2.gz IYRAGADZICEHLW-PRXAMGSTSA-N 1 2 252.383 2.573 10 0 CFAELO CC(=O)CCCC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000184830133 189396615 /nfs/dbraw/zinc/39/66/15/189396615.db2.gz OIXJDDMFHYLILO-CQSZACIVSA-N 1 2 299.374 2.809 10 0 CFAELO Cc1nc(CN(C)c2[nH+]c3ccccc3cc2C)no1 ZINC000302167807 201377171 /nfs/dbraw/zinc/37/71/71/201377171.db2.gz LIZZCVLUCLINFW-UHFFFAOYSA-N 1 2 268.320 2.871 10 0 CFAELO Clc1cccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000091439336 294112077 /nfs/dbraw/zinc/11/20/77/294112077.db2.gz DYXULGBYKQMLJU-STQMWFEESA-N 1 2 266.772 2.878 10 0 CFAELO Clc1cccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000091439336 294112078 /nfs/dbraw/zinc/11/20/78/294112078.db2.gz DYXULGBYKQMLJU-STQMWFEESA-N 1 2 266.772 2.878 10 0 CFAELO Fc1cnccc1-c1ccc(Cn2cc[nH+]c2)cn1 ZINC000215897192 189698273 /nfs/dbraw/zinc/69/82/73/189698273.db2.gz JNZSVRJCHRIXMN-UHFFFAOYSA-N 1 2 254.268 2.528 10 0 CFAELO CCn1nccc1CN1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000275707227 193109773 /nfs/dbraw/zinc/10/97/73/193109773.db2.gz XZHHBTVSDWIHLT-INIZCTEOSA-N 1 2 299.422 2.842 10 0 CFAELO COC(=O)[C@@H]1C[C@@H](Oc2ccc(C)cc2C(C)(C)C)C[NH2+]1 ZINC000098089466 284157779 /nfs/dbraw/zinc/15/77/79/284157779.db2.gz MZBQBWQWSZKZRL-OCCSQVGLSA-N 1 2 291.391 2.575 10 0 CFAELO COc1cc2c(cc1O)CC[NH+]=C2c1ccccc1 ZINC000027559821 372342984 /nfs/dbraw/zinc/34/29/84/372342984.db2.gz BVUSXDVWXJHPIN-UHFFFAOYSA-N 1 2 253.301 2.794 10 0 CFAELO CCNC(=O)c1ccc(-c2[nH+]c3cc(N)ccc3n2C)cc1 ZINC000058819679 373671989 /nfs/dbraw/zinc/67/19/89/373671989.db2.gz MJDMWWACFKNDPJ-UHFFFAOYSA-N 1 2 294.358 2.572 10 0 CFAELO CCCCn1c2ccccc2nc1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000067605541 373987263 /nfs/dbraw/zinc/98/72/63/373987263.db2.gz QTJKQGZBZRJHKW-MRXNPFEDSA-N 1 2 295.390 2.795 10 0 CFAELO CC(C)(C)OC(=O)NCCCNc1cccc2[nH+]ccn21 ZINC000089201311 374886737 /nfs/dbraw/zinc/88/67/37/374886737.db2.gz INVGJXRYVDCGDO-UHFFFAOYSA-N 1 2 290.367 2.661 10 0 CFAELO COc1ccccc1C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000092831835 375162571 /nfs/dbraw/zinc/16/25/71/375162571.db2.gz FIWVCVKDJBUBMZ-CQSZACIVSA-N 1 2 290.388 2.725 10 0 CFAELO COc1ccccc1C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000092831835 375162572 /nfs/dbraw/zinc/16/25/72/375162572.db2.gz FIWVCVKDJBUBMZ-CQSZACIVSA-N 1 2 290.388 2.725 10 0 CFAELO CC1CCN(c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC1 ZINC000110111640 375827217 /nfs/dbraw/zinc/82/72/17/375827217.db2.gz KTIHEZGHIOQCCA-CQSZACIVSA-N 1 2 274.412 2.949 10 0 CFAELO CC1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000110111640 375827224 /nfs/dbraw/zinc/82/72/24/375827224.db2.gz KTIHEZGHIOQCCA-CQSZACIVSA-N 1 2 274.412 2.949 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H](C)C(C)C)C2 ZINC000112739880 375960269 /nfs/dbraw/zinc/96/02/69/375960269.db2.gz KMAGTMOZKVDFJF-GFCCVEGCSA-N 1 2 292.427 2.656 10 0 CFAELO Cc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114482575 376069254 /nfs/dbraw/zinc/06/92/54/376069254.db2.gz YIMLWOXGZIBSID-INIZCTEOSA-N 1 2 298.390 2.884 10 0 CFAELO Cc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114482575 376069256 /nfs/dbraw/zinc/06/92/56/376069256.db2.gz YIMLWOXGZIBSID-INIZCTEOSA-N 1 2 298.390 2.884 10 0 CFAELO c1cc(-c2noc(C[N@@H+]3CCCC[C@H]3c3cn[nH]c3)n2)co1 ZINC000114482675 376069594 /nfs/dbraw/zinc/06/95/94/376069594.db2.gz YPFRUKUAFHBFFT-ZDUSSCGKSA-N 1 2 299.334 2.780 10 0 CFAELO c1cc(-c2noc(C[N@H+]3CCCC[C@H]3c3cn[nH]c3)n2)co1 ZINC000114482675 376069599 /nfs/dbraw/zinc/06/95/99/376069599.db2.gz YPFRUKUAFHBFFT-ZDUSSCGKSA-N 1 2 299.334 2.780 10 0 CFAELO CCn1c(C)nnc1C[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000120860026 376708427 /nfs/dbraw/zinc/70/84/27/376708427.db2.gz HPLRXRMERGLOHR-JTQLQIEISA-N 1 2 292.358 2.605 10 0 CFAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(Cl)cn2)o1 ZINC000678930836 542094597 /nfs/dbraw/zinc/09/45/97/542094597.db2.gz FJPBAYUARWOGSK-SECBINFHSA-N 1 2 251.717 2.882 10 0 CFAELO Fc1cccc(OCC[N@@H+]2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000121785373 376904945 /nfs/dbraw/zinc/90/49/45/376904945.db2.gz AFXYLXCWSBIWPP-AWEZNQCLSA-N 1 2 290.342 2.550 10 0 CFAELO Fc1cccc(OCC[N@H+]2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000121785373 376904951 /nfs/dbraw/zinc/90/49/51/376904951.db2.gz AFXYLXCWSBIWPP-AWEZNQCLSA-N 1 2 290.342 2.550 10 0 CFAELO COc1c(C[N@H+](C)[C@H](C)c2ccco2)c(C)nn1C ZINC000131099626 377659578 /nfs/dbraw/zinc/65/95/78/377659578.db2.gz PSKDPUXUOVFOTG-LLVKDONJSA-N 1 2 263.341 2.523 10 0 CFAELO COc1c(C[N@@H+](C)[C@H](C)c2ccco2)c(C)nn1C ZINC000131099626 377659587 /nfs/dbraw/zinc/65/95/87/377659587.db2.gz PSKDPUXUOVFOTG-LLVKDONJSA-N 1 2 263.341 2.523 10 0 CFAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000132366640 377831825 /nfs/dbraw/zinc/83/18/25/377831825.db2.gz GMCSKCTXEURSFP-GASCZTMLSA-N 1 2 285.391 2.541 10 0 CFAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000132366640 377831836 /nfs/dbraw/zinc/83/18/36/377831836.db2.gz GMCSKCTXEURSFP-GASCZTMLSA-N 1 2 285.391 2.541 10 0 CFAELO Cc1cnn([C@@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000134960214 378069230 /nfs/dbraw/zinc/06/92/30/378069230.db2.gz PWCBCBAGLSRVIG-CYBMUJFWSA-N 1 2 281.363 2.909 10 0 CFAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC000135056078 378077610 /nfs/dbraw/zinc/07/76/10/378077610.db2.gz JYCGHFQUJLZLKU-LBPRGKRZSA-N 1 2 276.409 2.831 10 0 CFAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1nccs1 ZINC000135056078 378077612 /nfs/dbraw/zinc/07/76/12/378077612.db2.gz JYCGHFQUJLZLKU-LBPRGKRZSA-N 1 2 276.409 2.831 10 0 CFAELO CCc1nnc(C[NH2+][C@H](C)c2ccc(Cl)s2)[nH]1 ZINC000162460972 378914543 /nfs/dbraw/zinc/91/45/43/378914543.db2.gz SWVCJVWINNOSQD-SSDOTTSWSA-N 1 2 270.789 2.933 10 0 CFAELO Cc1cccc(NC(=O)C[N@@H+]2CCS[C@@H](C)C2)c1C ZINC000171702819 379379539 /nfs/dbraw/zinc/37/95/39/379379539.db2.gz OBPQMLITGLKIAP-LBPRGKRZSA-N 1 2 278.421 2.679 10 0 CFAELO Cc1cccc(NC(=O)C[N@H+]2CCS[C@@H](C)C2)c1C ZINC000171702819 379379545 /nfs/dbraw/zinc/37/95/45/379379545.db2.gz OBPQMLITGLKIAP-LBPRGKRZSA-N 1 2 278.421 2.679 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](C)C(C)C)C2 ZINC000171978274 379459996 /nfs/dbraw/zinc/45/99/96/379459996.db2.gz ZZQYEDNFYZPEHE-LBPRGKRZSA-N 1 2 277.412 2.720 10 0 CFAELO c1coc(-c2nnc(C[N@@H+]3CCCC[C@H]3c3cn[nH]c3)o2)c1 ZINC000173400699 379733588 /nfs/dbraw/zinc/73/35/88/379733588.db2.gz KAVKCHKIUQUKPR-LBPRGKRZSA-N 1 2 299.334 2.780 10 0 CFAELO c1coc(-c2nnc(C[N@H+]3CCCC[C@H]3c3cn[nH]c3)o2)c1 ZINC000173400699 379733591 /nfs/dbraw/zinc/73/35/91/379733591.db2.gz KAVKCHKIUQUKPR-LBPRGKRZSA-N 1 2 299.334 2.780 10 0 CFAELO Cn1c(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)nnc1C1CC1 ZINC000177199267 380314820 /nfs/dbraw/zinc/31/48/20/380314820.db2.gz LAOKSCIKBSTCJM-STQMWFEESA-N 1 2 292.452 2.553 10 0 CFAELO Cn1c(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)nnc1C1CC1 ZINC000177199267 380314824 /nfs/dbraw/zinc/31/48/24/380314824.db2.gz LAOKSCIKBSTCJM-STQMWFEESA-N 1 2 292.452 2.553 10 0 CFAELO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000177958210 380398678 /nfs/dbraw/zinc/39/86/78/380398678.db2.gz HSERPQCZXODPFK-SECBINFHSA-N 1 2 265.744 2.923 10 0 CFAELO CCc1nnc(C[NH2+][C@H](CC)c2ccc(F)cc2F)n1C ZINC000179618066 380564514 /nfs/dbraw/zinc/56/45/14/380564514.db2.gz YCBPQYCQJNQDNJ-CYBMUJFWSA-N 1 2 294.349 2.897 10 0 CFAELO C[C@@H]1CCCN(c2cc(NCCCCCCO)[nH+]cn2)C1 ZINC000180218945 380634565 /nfs/dbraw/zinc/63/45/65/380634565.db2.gz UWOCZIFPGKTJFT-CQSZACIVSA-N 1 2 292.427 2.678 10 0 CFAELO C[C@@H]1CCCN(c2cc(NCCCCCCO)nc[nH+]2)C1 ZINC000180218945 380634573 /nfs/dbraw/zinc/63/45/73/380634573.db2.gz UWOCZIFPGKTJFT-CQSZACIVSA-N 1 2 292.427 2.678 10 0 CFAELO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1csnn1)c1ccccc1 ZINC000180241597 380638693 /nfs/dbraw/zinc/63/86/93/380638693.db2.gz UXAAAENCPYSKSP-LSDHHAIUSA-N 1 2 289.404 2.626 10 0 CFAELO O[C@H](C[C@@H]1CCC[N@H+]1Cc1csnn1)c1ccccc1 ZINC000180241597 380638698 /nfs/dbraw/zinc/63/86/98/380638698.db2.gz UXAAAENCPYSKSP-LSDHHAIUSA-N 1 2 289.404 2.626 10 0 CFAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000181257639 380766324 /nfs/dbraw/zinc/76/63/24/380766324.db2.gz HPLDDDKZMNFWSI-SKDRFNHKSA-N 1 2 291.786 2.821 10 0 CFAELO Cc1csc([C@@H]2CCC[N@@H+](CC(=O)OCC(C)C)C2)n1 ZINC000181442781 380794537 /nfs/dbraw/zinc/79/45/37/380794537.db2.gz RARPFZMFESZYMG-CYBMUJFWSA-N 1 2 296.436 2.830 10 0 CFAELO Cc1csc([C@@H]2CCC[N@H+](CC(=O)OCC(C)C)C2)n1 ZINC000181442781 380794542 /nfs/dbraw/zinc/79/45/42/380794542.db2.gz RARPFZMFESZYMG-CYBMUJFWSA-N 1 2 296.436 2.830 10 0 CFAELO CO[C@H](C)C[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000182105682 380991748 /nfs/dbraw/zinc/99/17/48/380991748.db2.gz NCEWDFHASGRMRQ-NEPJUHHUSA-N 1 2 298.452 2.849 10 0 CFAELO CO[C@H](C)C[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000182105682 380991754 /nfs/dbraw/zinc/99/17/54/380991754.db2.gz NCEWDFHASGRMRQ-NEPJUHHUSA-N 1 2 298.452 2.849 10 0 CFAELO c1ccc(OCc2nnc(C[NH2+]C[C@@H]3CC=CCC3)[nH]2)cc1 ZINC000185757771 381724371 /nfs/dbraw/zinc/72/43/71/381724371.db2.gz JWQVBVBVAUCRLX-CQSZACIVSA-N 1 2 298.390 2.830 10 0 CFAELO CCC[C@@H](C)C[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000185760174 381726612 /nfs/dbraw/zinc/72/66/12/381726612.db2.gz IESCEQZNBXERNG-CYBMUJFWSA-N 1 2 288.395 2.910 10 0 CFAELO Cc1cc(NCCNc2ncccc2C(F)(F)F)nc[nH+]1 ZINC000301273686 382132100 /nfs/dbraw/zinc/13/21/00/382132100.db2.gz VXLKTLWGDKGVOL-UHFFFAOYSA-N 1 2 297.284 2.723 10 0 CFAELO Cc1cc(N2C[C@H](CO)CC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301797397 382194593 /nfs/dbraw/zinc/19/45/93/382194593.db2.gz RAMVJZHMAPMZRK-CHWSQXEVSA-N 1 2 263.385 2.506 10 0 CFAELO CC(C)n1cc[nH+]c1CSc1nccn2ccnc12 ZINC000187602881 382222021 /nfs/dbraw/zinc/22/20/21/382222021.db2.gz OWZXDOKLZADGHK-UHFFFAOYSA-N 1 2 273.365 2.799 10 0 CFAELO Cc1ccc(CN(C)c2nc[nH+]c(N)c2Cl)cc1F ZINC000302857761 382335323 /nfs/dbraw/zinc/33/53/23/382335323.db2.gz SRYVXUSVXWFCPC-UHFFFAOYSA-N 1 2 280.734 2.796 10 0 CFAELO Cc1ccc(CN(C)c2[nH+]cnc(N)c2Cl)cc1F ZINC000302857761 382335331 /nfs/dbraw/zinc/33/53/31/382335331.db2.gz SRYVXUSVXWFCPC-UHFFFAOYSA-N 1 2 280.734 2.796 10 0 CFAELO C[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000188861513 382493744 /nfs/dbraw/zinc/49/37/44/382493744.db2.gz BQNKPHGUDOOJSB-DOMZBBRYSA-N 1 2 285.347 2.626 10 0 CFAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC000188819573 382483557 /nfs/dbraw/zinc/48/35/57/382483557.db2.gz NODAWISMIXAPSU-CYBMUJFWSA-N 1 2 284.762 2.532 10 0 CFAELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cc(F)ccc1Cl ZINC000188819573 382483564 /nfs/dbraw/zinc/48/35/64/382483564.db2.gz NODAWISMIXAPSU-CYBMUJFWSA-N 1 2 284.762 2.532 10 0 CFAELO FC(F)COCC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000188981039 382517199 /nfs/dbraw/zinc/51/71/99/382517199.db2.gz DRSPDEIRLNPFSD-SNVBAGLBSA-N 1 2 276.352 2.952 10 0 CFAELO FC(F)COCC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000188981039 382517204 /nfs/dbraw/zinc/51/72/04/382517204.db2.gz DRSPDEIRLNPFSD-SNVBAGLBSA-N 1 2 276.352 2.952 10 0 CFAELO CC[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)C(=O)OC ZINC000192839804 382712770 /nfs/dbraw/zinc/71/27/70/382712770.db2.gz QGFKCXQSPRFRGQ-STQMWFEESA-N 1 2 267.756 2.869 10 0 CFAELO Nc1ccc([C@H]2C[NH+]=C3c4ccccc4NC(=O)N3C2)cc1 ZINC000216180027 382782276 /nfs/dbraw/zinc/78/22/76/382782276.db2.gz XPGFCTABVKRCHY-LBPRGKRZSA-N 1 2 292.342 2.660 10 0 CFAELO CCc1nnc(C[NH2+][C@@H](C)c2ccccc2Cl)n1C ZINC000195024002 382759899 /nfs/dbraw/zinc/75/98/99/382759899.db2.gz YMDQTYRCHDTYMG-JTQLQIEISA-N 1 2 278.787 2.882 10 0 CFAELO Cc1cc[nH+]c(NC[C@H]2CCC[C@H]2O)c1Br ZINC000235937379 382890741 /nfs/dbraw/zinc/89/07/41/382890741.db2.gz JRUIXBFUEFTKLY-NXEZZACHSA-N 1 2 285.185 2.725 10 0 CFAELO CCCCCN1CC[N@H+](CCOCC)[C@@H](CC)C1 ZINC000246717389 383095791 /nfs/dbraw/zinc/09/57/91/383095791.db2.gz NVICASWMKSGRLT-HNNXBMFYSA-N 1 2 256.434 2.609 10 0 CFAELO CCCCCN1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC000246717389 383095793 /nfs/dbraw/zinc/09/57/93/383095793.db2.gz NVICASWMKSGRLT-HNNXBMFYSA-N 1 2 256.434 2.609 10 0 CFAELO CCc1nnc(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)n1C ZINC000248330643 383223928 /nfs/dbraw/zinc/22/39/28/383223928.db2.gz DQBLACBNRJNLDJ-LRDDRELGSA-N 1 2 270.380 2.571 10 0 CFAELO CCc1nnc(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)n1C ZINC000248330643 383223930 /nfs/dbraw/zinc/22/39/30/383223930.db2.gz DQBLACBNRJNLDJ-LRDDRELGSA-N 1 2 270.380 2.571 10 0 CFAELO CC[C@](C)(O)C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000249423302 383344508 /nfs/dbraw/zinc/34/45/08/383344508.db2.gz XNNWEBLBOAZGIO-CABCVRRESA-N 1 2 283.799 2.874 10 0 CFAELO CC[C@](C)(O)C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000249423302 383344511 /nfs/dbraw/zinc/34/45/11/383344511.db2.gz XNNWEBLBOAZGIO-CABCVRRESA-N 1 2 283.799 2.874 10 0 CFAELO c1cn(C[C@@H]2CCCN2c2nc3ccccc3o2)c[nH+]1 ZINC000267394404 384378829 /nfs/dbraw/zinc/37/88/29/384378829.db2.gz OBYZIIBGXWEOAN-LBPRGKRZSA-N 1 2 268.320 2.693 10 0 CFAELO CC[C@@H]([NH2+][C@H]1CCCc2cc(OC)ccc21)C(=O)OC ZINC000279912369 384808827 /nfs/dbraw/zinc/80/88/27/384808827.db2.gz VTIYBEYLNULLPN-CABCVRRESA-N 1 2 277.364 2.614 10 0 CFAELO Cc1[nH]ccc1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000177647168 533648414 /nfs/dbraw/zinc/64/84/14/533648414.db2.gz KXYCTOPWVNEIQC-GFCCVEGCSA-N 1 2 294.358 3.000 10 0 CFAELO c1ccc2c(c1)C[NH2+][C@@H](c1nc(-c3ccncc3)no1)C2 ZINC000021807746 285511976 /nfs/dbraw/zinc/51/19/76/285511976.db2.gz XDICOVICQGAYDZ-CQSZACIVSA-N 1 2 278.315 2.519 10 0 CFAELO CCn1cc[nH+]c1C[S@](=O)Cc1ccc(F)c(F)c1 ZINC000083036163 393740634 /nfs/dbraw/zinc/74/06/34/393740634.db2.gz QXFOAVLRLNOQPZ-IBGZPJMESA-N 1 2 284.331 2.630 10 0 CFAELO CCn1c(C)nnc1C[N@H+](CC)Cc1cccs1 ZINC000195031204 393728611 /nfs/dbraw/zinc/72/86/11/393728611.db2.gz CRZBRILJTIMBJB-UHFFFAOYSA-N 1 2 264.398 2.690 10 0 CFAELO CCn1c(C)nnc1C[N@@H+](CC)Cc1cccs1 ZINC000195031204 393728615 /nfs/dbraw/zinc/72/86/15/393728615.db2.gz CRZBRILJTIMBJB-UHFFFAOYSA-N 1 2 264.398 2.690 10 0 CFAELO CCc1nnc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)n1C ZINC000195042558 393729701 /nfs/dbraw/zinc/72/97/01/393729701.db2.gz AZZSDMDIGGZKHS-LLVKDONJSA-N 1 2 276.359 2.710 10 0 CFAELO CCc1nnc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)n1C ZINC000195042558 393729704 /nfs/dbraw/zinc/72/97/04/393729704.db2.gz AZZSDMDIGGZKHS-LLVKDONJSA-N 1 2 276.359 2.710 10 0 CFAELO c1cn(-c2ccccc2)nc1CNc1cccc[nH+]1 ZINC000236605964 393786050 /nfs/dbraw/zinc/78/60/50/393786050.db2.gz CJSUFMFTHVRENG-UHFFFAOYSA-N 1 2 250.305 2.879 10 0 CFAELO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCS[C@H](C)C1 ZINC000246178997 393852415 /nfs/dbraw/zinc/85/24/15/393852415.db2.gz UKBNGLZAWGQJRC-NXEZZACHSA-N 1 2 269.414 2.865 10 0 CFAELO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCS[C@H](C)C1 ZINC000246178997 393852417 /nfs/dbraw/zinc/85/24/17/393852417.db2.gz UKBNGLZAWGQJRC-NXEZZACHSA-N 1 2 269.414 2.865 10 0 CFAELO COc1cc2c(c(C[NH+]3C[C@H](C)O[C@@H](C)C3)c1)O[C@H](C)C2 ZINC000246245782 393856866 /nfs/dbraw/zinc/85/68/66/393856866.db2.gz UMPNJNHIKGDVRU-AGIUHOORSA-N 1 2 291.391 2.628 10 0 CFAELO C[C@H]1C[N@H+](Cc2nc3cc(F)ccc3o2)CCS1 ZINC000151026598 394259137 /nfs/dbraw/zinc/25/91/37/394259137.db2.gz JVGRMMIORJKNFX-VIFPVBQESA-N 1 2 266.341 2.904 10 0 CFAELO C[C@H]1C[N@@H+](Cc2nc3cc(F)ccc3o2)CCS1 ZINC000151026598 394259142 /nfs/dbraw/zinc/25/91/42/394259142.db2.gz JVGRMMIORJKNFX-VIFPVBQESA-N 1 2 266.341 2.904 10 0 CFAELO CC(C)n1cc(C[NH2+][C@H](C)c2cc(F)ccc2F)nn1 ZINC000380359467 543073733 /nfs/dbraw/zinc/07/37/33/543073733.db2.gz HSEQLSIVGNLYKW-SNVBAGLBSA-N 1 2 280.322 2.988 10 0 CFAELO CCCc1noc(C[NH2+][C@@H](C)c2cccs2)n1 ZINC000192514774 397611608 /nfs/dbraw/zinc/61/16/08/397611608.db2.gz BHIDQEXGFWVNRR-VIFPVBQESA-N 1 2 251.355 2.934 10 0 CFAELO CC(C)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1F ZINC000006723801 170232383 /nfs/dbraw/zinc/23/23/83/170232383.db2.gz PMICABRWUROSOB-UHFFFAOYSA-N 1 2 289.354 2.685 10 0 CFAELO COc1cc(NCc2cn3ccccc3[nH+]2)cc(OC)c1 ZINC000007274847 170276061 /nfs/dbraw/zinc/27/60/61/170276061.db2.gz BGBDYPXSTSNPQG-UHFFFAOYSA-N 1 2 283.331 2.964 10 0 CFAELO C[C@@H](Nc1ccc([NH+](C)C)cc1)C(=O)NC1CCCC1 ZINC000035164383 172025499 /nfs/dbraw/zinc/02/54/99/172025499.db2.gz LIQAGDYOBJCMBU-GFCCVEGCSA-N 1 2 275.396 2.612 10 0 CFAELO COC(=O)c1occc1C[NH2+][C@H](C)c1ccc(C)o1 ZINC000035224225 172068800 /nfs/dbraw/zinc/06/88/00/172068800.db2.gz PVBCUOHVSBEOQH-SNVBAGLBSA-N 1 2 263.293 2.818 10 0 CFAELO COC(=O)[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1)C(C)C ZINC000035346490 172139020 /nfs/dbraw/zinc/13/90/20/172139020.db2.gz NGZZMKCGHZFJTD-FZMZJTMJSA-N 1 2 265.353 2.543 10 0 CFAELO COc1ccccc1-c1noc([C@@H]([NH3+])c2ccccc2)n1 ZINC000035660808 172338097 /nfs/dbraw/zinc/33/80/97/172338097.db2.gz VEZYHMKWRLOIFC-AWEZNQCLSA-N 1 2 281.315 2.793 10 0 CFAELO Cn1cc[nH+]c1[C@H](Nc1cccnc1)c1ccco1 ZINC000037187119 173017775 /nfs/dbraw/zinc/01/77/75/173017775.db2.gz GMCUBZMTRJZNRC-CYBMUJFWSA-N 1 2 254.293 2.610 10 0 CFAELO COC(=O)c1cc(CSc2ccc(N)[nH+]c2)oc1C ZINC000037192134 173021035 /nfs/dbraw/zinc/02/10/35/173021035.db2.gz PIJQBFHPLHKLQQ-UHFFFAOYSA-N 1 2 278.333 2.644 10 0 CFAELO COc1nc2sccn2c1C[NH2+][C@@H](C)c1ccco1 ZINC000037260286 173070537 /nfs/dbraw/zinc/07/05/37/173070537.db2.gz HWLGKCJDMTWIPN-VIFPVBQESA-N 1 2 277.349 2.848 10 0 CFAELO COC(=O)CCC[NH2+]c1cc(Cl)c(OC)cc1OC ZINC000037286501 173092615 /nfs/dbraw/zinc/09/26/15/173092615.db2.gz JJYSBSMZYOVZJE-UHFFFAOYSA-N 1 2 287.743 2.722 10 0 CFAELO NC(=S)c1ccc(-n2cc[nH+]c2)cc1C(F)(F)F ZINC000037306603 173110227 /nfs/dbraw/zinc/11/02/27/173110227.db2.gz UEXMUQXJCVJSIC-UHFFFAOYSA-N 1 2 271.267 2.525 10 0 CFAELO CCCCOC(=O)C[NH2+][C@H]1CCCc2ccccc21 ZINC000037394111 173174276 /nfs/dbraw/zinc/17/42/76/173174276.db2.gz UGNBRVPWIQBGTC-HNNXBMFYSA-N 1 2 261.365 2.997 10 0 CFAELO CCOC(=O)[C@](C)([NH2+]C)c1cccc2ccccc21 ZINC000037458701 173223493 /nfs/dbraw/zinc/22/34/93/173223493.db2.gz LNJLOIZCQMEYHT-MRXNPFEDSA-N 1 2 257.333 2.838 10 0 CFAELO CC[C@H]1CO[C@H](C)C[N@@H+]1[C@@H](C)C(=O)c1ccccc1 ZINC000037488598 173230664 /nfs/dbraw/zinc/23/06/64/173230664.db2.gz ZZUPVGJQVWKEQR-IPYPFGDCSA-N 1 2 261.365 2.757 10 0 CFAELO CC[C@H]1CO[C@H](C)C[N@H+]1[C@@H](C)C(=O)c1ccccc1 ZINC000037488598 173230667 /nfs/dbraw/zinc/23/06/67/173230667.db2.gz ZZUPVGJQVWKEQR-IPYPFGDCSA-N 1 2 261.365 2.757 10 0 CFAELO C[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1cccnc1 ZINC000037488583 173230896 /nfs/dbraw/zinc/23/08/96/173230896.db2.gz JRLKNIFTICLLFK-CYBMUJFWSA-N 1 2 254.333 2.785 10 0 CFAELO C[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cccnc1 ZINC000037488583 173230898 /nfs/dbraw/zinc/23/08/98/173230898.db2.gz JRLKNIFTICLLFK-CYBMUJFWSA-N 1 2 254.333 2.785 10 0 CFAELO COC(=O)[C@H]([NH2+]CC(C)C)c1cccc(Cl)c1 ZINC000037965929 173910945 /nfs/dbraw/zinc/91/09/45/173910945.db2.gz RAQMDXALNNLJAZ-GFCCVEGCSA-N 1 2 255.745 2.800 10 0 CFAELO COC(=O)[C@@](C)([NH2+]CC1CC1)c1cccc(Cl)c1 ZINC000037967718 173913912 /nfs/dbraw/zinc/91/39/12/173913912.db2.gz BFLNAMGMXHIKML-AWEZNQCLSA-N 1 2 267.756 2.728 10 0 CFAELO CCOC(=O)[C@](C)([NH2+][C@@H](C)CC)c1ccc(O)cc1 ZINC000038067749 174080169 /nfs/dbraw/zinc/08/01/69/174080169.db2.gz UGCNJFWZFSXVQJ-XHDPSFHLSA-N 1 2 265.353 2.559 10 0 CFAELO CC(C)CCC[NH2+]Cc1nc(=O)c2sccc2[nH]1 ZINC000038093926 174107501 /nfs/dbraw/zinc/10/75/01/174107501.db2.gz RBKNYAZZZAXOPC-UHFFFAOYSA-N 1 2 265.382 2.923 10 0 CFAELO CC1(C)CC[C@@H]([NH2+][C@H]2CCOC2=O)c2ccccc21 ZINC000040177306 174202173 /nfs/dbraw/zinc/20/21/73/174202173.db2.gz JLGHYNSMUMOQGY-KGLIPLIRSA-N 1 2 259.349 2.704 10 0 CFAELO CCc1nc([C@H]2C[C@H](OC)C[NH2+]2)[nH]c1-c1ccccc1 ZINC000040637788 174361587 /nfs/dbraw/zinc/36/15/87/174361587.db2.gz ZNRIRJRDMJNNKZ-GXTWGEPZSA-N 1 2 271.364 2.689 10 0 CFAELO C[N@@H+]1CCC[C@@H](N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000040672760 174371359 /nfs/dbraw/zinc/37/13/59/174371359.db2.gz YFXDXUUODQCDPN-MSOLQXFVSA-N 1 2 281.403 2.855 10 0 CFAELO C[N@H+]1CCC[C@@H](N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000040672760 174371360 /nfs/dbraw/zinc/37/13/60/174371360.db2.gz YFXDXUUODQCDPN-MSOLQXFVSA-N 1 2 281.403 2.855 10 0 CFAELO CCCNc1[nH+]cnc(N2CCc3ccccc32)c1N ZINC000040687278 174375742 /nfs/dbraw/zinc/37/57/42/174375742.db2.gz ZSAFMDBYLMGLBH-UHFFFAOYSA-N 1 2 269.352 2.575 10 0 CFAELO CN(C)c1[nH+]cnc(Nc2ccccc2C(F)(F)F)c1N ZINC000040701711 174378849 /nfs/dbraw/zinc/37/88/49/174378849.db2.gz GUQDOPBFZUHHPA-UHFFFAOYSA-N 1 2 297.284 2.887 10 0 CFAELO CCCCNc1[nH+]cnc(Nc2cc(C)ccn2)c1N ZINC000040701222 174379230 /nfs/dbraw/zinc/37/92/30/174379230.db2.gz CADRNHKDEVHFRT-UHFFFAOYSA-N 1 2 272.356 2.718 10 0 CFAELO CNc1nc[nH+]c(Nc2ccc(OC(F)(F)F)cc2)c1N ZINC000040707116 174379732 /nfs/dbraw/zinc/37/97/32/174379732.db2.gz KJVALENDNSKCJB-UHFFFAOYSA-N 1 2 299.256 2.743 10 0 CFAELO CNc1[nH+]cnc(Nc2ccc(OC(F)(F)F)cc2)c1N ZINC000040707116 174379733 /nfs/dbraw/zinc/37/97/33/174379733.db2.gz KJVALENDNSKCJB-UHFFFAOYSA-N 1 2 299.256 2.743 10 0 CFAELO CCNc1[nH+]cnc(Nc2cccc3ncccc32)c1N ZINC000040707480 174379826 /nfs/dbraw/zinc/37/98/26/174379826.db2.gz CSAWFHVXQUOJPO-UHFFFAOYSA-N 1 2 280.335 2.782 10 0 CFAELO Nc1c(Nc2ccccn2)nc[nH+]c1NCc1ccccc1 ZINC000040709280 174380777 /nfs/dbraw/zinc/38/07/77/174380777.db2.gz JVGYHMTZEADFMY-UHFFFAOYSA-N 1 2 292.346 2.810 10 0 CFAELO CCN(CC)c1[nH+]cnc(Nc2ccccc2OC)c1N ZINC000040723226 174385186 /nfs/dbraw/zinc/38/51/86/174385186.db2.gz WFZYIQNZVGBOQJ-UHFFFAOYSA-N 1 2 287.367 2.657 10 0 CFAELO CCOc1ccccc1Nc1nc[nH+]c(N2CCCC2)c1N ZINC000040724575 174386660 /nfs/dbraw/zinc/38/66/60/174386660.db2.gz ORNPRESKXRWZJF-UHFFFAOYSA-N 1 2 299.378 2.801 10 0 CFAELO Nc1c(Nc2ccc(F)c(F)c2)[nH+]cnc1N1CCCC1 ZINC000040724546 174386773 /nfs/dbraw/zinc/38/67/73/174386773.db2.gz MAGYBOCPLMIANI-UHFFFAOYSA-N 1 2 291.305 2.681 10 0 CFAELO Nc1c(Nc2ccc(F)c(F)c2)nc[nH+]c1N1CCCC1 ZINC000040724546 174386774 /nfs/dbraw/zinc/38/67/74/174386774.db2.gz MAGYBOCPLMIANI-UHFFFAOYSA-N 1 2 291.305 2.681 10 0 CFAELO Cc1[nH+]c2c(C)cccn2c1CC(=O)N1CCC[C@@H](C)C1 ZINC000041292472 174513653 /nfs/dbraw/zinc/51/36/53/174513653.db2.gz ILPRNFVPQRVMDU-GFCCVEGCSA-N 1 2 285.391 2.752 10 0 CFAELO COC(=O)C(C)(C)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000042330653 174687128 /nfs/dbraw/zinc/68/71/28/174687128.db2.gz BAFAJKJCUHCISN-LLVKDONJSA-N 1 2 253.367 2.740 10 0 CFAELO Cc1ccc(C(N)=S)c(N[C@H](C)CC(C)C)[nH+]1 ZINC000043396643 175035940 /nfs/dbraw/zinc/03/59/40/175035940.db2.gz VPMIREYWXVMYMZ-SNVBAGLBSA-N 1 2 251.399 2.871 10 0 CFAELO Cc1ccc(C(N)=S)c(NCc2cccs2)[nH+]1 ZINC000043396596 175036189 /nfs/dbraw/zinc/03/61/89/175036189.db2.gz JMAWNIYBAMAWRV-UHFFFAOYSA-N 1 2 263.391 2.698 10 0 CFAELO Cc1ccc(C(N)=S)c(N(C)Cc2ccccc2C)[nH+]1 ZINC000043396773 175036276 /nfs/dbraw/zinc/03/62/76/175036276.db2.gz FVRLQSCCFKJGRW-UHFFFAOYSA-N 1 2 285.416 2.969 10 0 CFAELO CCCCCN(C)c1[nH+]c(C)ccc1C(N)=S ZINC000043396625 175036354 /nfs/dbraw/zinc/03/63/54/175036354.db2.gz IZVHHDBDELCXTA-UHFFFAOYSA-N 1 2 251.399 2.651 10 0 CFAELO Cc1ccc(C(N)=S)c(NCCc2ccc(F)cc2)[nH+]1 ZINC000043396254 175036367 /nfs/dbraw/zinc/03/63/67/175036367.db2.gz WXYZKJRXRLZZTQ-UHFFFAOYSA-N 1 2 289.379 2.818 10 0 CFAELO COC(=O)[C@H]([NH2+]CCSc1ccc(C)cc1)C(C)C ZINC000043442388 175046202 /nfs/dbraw/zinc/04/62/02/175046202.db2.gz DTRBAPLZHJCMIG-CQSZACIVSA-N 1 2 281.421 2.874 10 0 CFAELO CCOC(=O)C[C@H](C)[NH2+]c1ccc(OC)c(C)c1 ZINC000043621753 175080789 /nfs/dbraw/zinc/08/07/89/175080789.db2.gz YNKOMEAQPRQACO-NSHDSACASA-N 1 2 251.326 2.757 10 0 CFAELO CC[NH2+][C@H]1c2c(c(Cl)ccc2Cl)S(=O)(=O)[C@H]1C ZINC000043636453 175083399 /nfs/dbraw/zinc/08/33/99/175083399.db2.gz FMONOVFHFQZGOR-QUBYGPBYSA-N 1 2 294.203 2.820 10 0 CFAELO CCOc1ccccc1[C@H](C[N@H+](CC)[C@@H](C)COC)NC ZINC000043981077 175133903 /nfs/dbraw/zinc/13/39/03/175133903.db2.gz ANOSRIVUCVAOFF-HOCLYGCPSA-N 1 2 294.439 2.703 10 0 CFAELO CCOc1ccccc1[C@H](C[N@@H+](CC)[C@@H](C)COC)NC ZINC000043981077 175133904 /nfs/dbraw/zinc/13/39/04/175133904.db2.gz ANOSRIVUCVAOFF-HOCLYGCPSA-N 1 2 294.439 2.703 10 0 CFAELO O[C@H]1c2ccccc2OC[C@H]1[NH+]1CCCCCCC1 ZINC000044125256 175143547 /nfs/dbraw/zinc/14/35/47/175143547.db2.gz QMODATAVJAPUIG-ZBFHGGJFSA-N 1 2 261.365 2.747 10 0 CFAELO CCCC[N@@H+](c1ccc(N)c(C(N)=O)c1)[C@@H](C)CC ZINC000044415355 175172972 /nfs/dbraw/zinc/17/29/72/175172972.db2.gz VSQVJMIOBITAEV-NSHDSACASA-N 1 2 263.385 2.773 10 0 CFAELO CCCC[N@H+](c1ccc(N)c(C(N)=O)c1)[C@@H](C)CC ZINC000044415355 175172973 /nfs/dbraw/zinc/17/29/73/175172973.db2.gz VSQVJMIOBITAEV-NSHDSACASA-N 1 2 263.385 2.773 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H](C)c2cccs2)c1N ZINC000044590626 175212688 /nfs/dbraw/zinc/21/26/88/175212688.db2.gz RBAZBCDAZQJBQN-MRVPVSSYSA-N 1 2 279.365 2.621 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H](C)c2ccc(C)cc2)c1N ZINC000044591373 175213037 /nfs/dbraw/zinc/21/30/37/175213037.db2.gz HQELZETYFWUQHG-LLVKDONJSA-N 1 2 287.363 2.868 10 0 CFAELO COc1ccc(N)cc1C[N@H+](C)Cc1csc(C)n1 ZINC000044595030 175214926 /nfs/dbraw/zinc/21/49/26/175214926.db2.gz TVEUOPGQFFKSDK-UHFFFAOYSA-N 1 2 277.393 2.674 10 0 CFAELO COc1ccc(N)cc1C[N@@H+](C)Cc1csc(C)n1 ZINC000044595030 175214928 /nfs/dbraw/zinc/21/49/28/175214928.db2.gz TVEUOPGQFFKSDK-UHFFFAOYSA-N 1 2 277.393 2.674 10 0 CFAELO Cc1nc(C[N@@H+](C)Cc2ccccc2C(N)=S)cs1 ZINC000044609226 175216341 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C[NH2+]Cc1noc([C@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000156766124 290734263 /nfs/dbraw/zinc/73/42/63/290734263.db2.gz RPTJYHZENOIUNS-JGVFFNPUSA-N 1 2 263.263 2.625 10 0 CFAELO COc1cc(F)cc(C[NH2+][C@@H](C)c2ncc(C)o2)c1 ZINC000312271135 522595017 /nfs/dbraw/zinc/59/50/17/522595017.db2.gz IZHFMGOGABQXQY-JTQLQIEISA-N 1 2 264.300 2.982 10 0 CFAELO c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000097941265 347711778 /nfs/dbraw/zinc/71/17/78/347711778.db2.gz PSJKBHZOHOXZCM-HNNXBMFYSA-N 1 2 298.390 2.788 10 0 CFAELO c1ccc(-c2n[nH]c([C@@H]3CCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000097941265 347711779 /nfs/dbraw/zinc/71/17/79/347711779.db2.gz PSJKBHZOHOXZCM-HNNXBMFYSA-N 1 2 298.390 2.788 10 0 CFAELO Cc1[nH+]c(-c2ccc(C=O)cc2)c2cnc3[nH]ccc3n12 ZINC000118625729 347798162 /nfs/dbraw/zinc/79/81/62/347798162.db2.gz NEJOKRCVFQGTKD-UHFFFAOYSA-N 1 2 276.299 2.999 10 0 CFAELO CNc1ccc(Nc2ncc(C(F)(F)F)cc2N)c[nH+]1 ZINC000148116752 347949207 /nfs/dbraw/zinc/94/92/07/347949207.db2.gz GPURHWDRYOVZGL-UHFFFAOYSA-N 1 2 283.257 2.863 10 0 CFAELO Clc1cnc(NCc2c[nH+]c[nH]2)c(Br)c1 ZINC000162796333 348032064 /nfs/dbraw/zinc/03/20/64/348032064.db2.gz VRPOIUUFMLSUQU-UHFFFAOYSA-N 1 2 287.548 2.833 10 0 CFAELO Clc1cnc(NCc2c[nH]c[nH+]2)c(Br)c1 ZINC000162796333 348032067 /nfs/dbraw/zinc/03/20/67/348032067.db2.gz VRPOIUUFMLSUQU-UHFFFAOYSA-N 1 2 287.548 2.833 10 0 CFAELO CCc1ccc(CCc2ccccc2NC=O)[nH+]c1 ZINC000165431507 348038928 /nfs/dbraw/zinc/03/89/28/348038928.db2.gz WGJOWDMDLQTZMQ-UHFFFAOYSA-N 1 2 254.333 2.998 10 0 CFAELO CCn1c(C)nnc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179682722 348122116 /nfs/dbraw/zinc/12/21/16/348122116.db2.gz QAJOVNWPABUBII-UHFFFAOYSA-N 1 2 274.343 2.524 10 0 CFAELO c1cnn(-c2ccc([NH2+][C@@H]3CCCOCC3)cc2)c1 ZINC000086871185 179363997 /nfs/dbraw/zinc/36/39/97/179363997.db2.gz JZOLCSLEUJYUIS-CYBMUJFWSA-N 1 2 257.337 2.853 10 0 CFAELO C[N@H+](CC(=O)c1ccc2nccnc2c1)Cc1ccccc1 ZINC000224810058 348176175 /nfs/dbraw/zinc/17/61/75/348176175.db2.gz FQXCMSNIJSZHBI-UHFFFAOYSA-N 1 2 291.354 2.945 10 0 CFAELO C[N@@H+](CC(=O)c1ccc2nccnc2c1)Cc1ccccc1 ZINC000224810058 348176180 /nfs/dbraw/zinc/17/61/80/348176180.db2.gz FQXCMSNIJSZHBI-UHFFFAOYSA-N 1 2 291.354 2.945 10 0 CFAELO [NH3+][C@@H](c1cc(Br)ccc1F)C(F)F ZINC000226555126 348183711 /nfs/dbraw/zinc/18/37/11/348183711.db2.gz RTPQZKVVGLNAGZ-ZETCQYMHSA-N 1 2 254.049 2.853 10 0 CFAELO CCNc1c(N)c[nH+]c2c(Cl)cc(F)c(C)c12 ZINC000584882735 348725647 /nfs/dbraw/zinc/72/56/47/348725647.db2.gz OCPXDTDSXZKDQO-UHFFFAOYSA-N 1 2 253.708 2.772 10 0 CFAELO O=C(c1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000090624145 180015063 /nfs/dbraw/zinc/01/50/63/180015063.db2.gz VUIUUPMMRIZOPM-KRWDZBQOSA-N 1 2 281.355 2.770 10 0 CFAELO O=C(c1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000090624145 180015065 /nfs/dbraw/zinc/01/50/65/180015065.db2.gz VUIUUPMMRIZOPM-KRWDZBQOSA-N 1 2 281.355 2.770 10 0 CFAELO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cscn2)c1C ZINC000104444924 186005228 /nfs/dbraw/zinc/00/52/28/186005228.db2.gz ZPONZTSYAUBBID-SECBINFHSA-N 1 2 264.398 2.827 10 0 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COC1(CNc2cc(N3CCC[C@H](C)C3)[nH+]cn2)CCC1 ZINC000272417253 385532415 /nfs/dbraw/zinc/53/24/15/385532415.db2.gz DHBUCGXRWWZDJP-ZDUSSCGKSA-N 1 2 290.411 2.694 10 0 CFAELO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC000272482602 385549565 /nfs/dbraw/zinc/54/95/65/385549565.db2.gz QZPBAYNLBCONPF-SNVBAGLBSA-N 1 2 261.325 2.546 10 0 CFAELO COc1ccc[nH+]c1N[C@@H]1CCc2cc(N)ccc21 ZINC000128466556 413025631 /nfs/dbraw/zinc/02/56/31/413025631.db2.gz WZXZHTSEKDDTLF-CYBMUJFWSA-N 1 2 255.321 2.772 10 0 CFAELO C[C@@H]1CC[C@H](CC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000133613416 413044882 /nfs/dbraw/zinc/04/48/82/413044882.db2.gz UEAWNJLSSHPIJL-QLFBSQMISA-N 1 2 275.396 2.700 10 0 CFAELO C[C@@H]([NH2+]Cc1nccc(N)n1)c1ccc(Cl)cc1 ZINC000135168036 413048033 /nfs/dbraw/zinc/04/80/33/413048033.db2.gz AQRDYTPYPOQWDT-SECBINFHSA-N 1 2 262.744 2.563 10 0 CFAELO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3cc[nH]c3)n2)c1 ZINC000237355010 131025451 /nfs/dbraw/zinc/02/54/51/131025451.db2.gz LMGYKNBSPNKFGE-NSHDSACASA-N 1 2 298.346 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NNCMWYNATPVNKX-GFCCVEGCSA-N 1 2 258.369 2.571 10 0 CFAELO CCc1nnc(C[N@@H+](C)[C@H](C)c2ccccc2)n1C ZINC000195029277 393728437 /nfs/dbraw/zinc/72/84/37/393728437.db2.gz NNCMWYNATPVNKX-GFCCVEGCSA-N 1 2 258.369 2.571 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@H](O)c1ccccc1)C2 ZINC000106370688 393866352 /nfs/dbraw/zinc/86/63/52/393866352.db2.gz PYQHGSQLGNELNR-KRWDZBQOSA-N 1 2 299.418 2.635 10 0 CFAELO Cc1cnn([C@@H]2CCCN(c3cc[nH+]c(C(C)C)n3)C2)c1 ZINC000110586114 393881875 /nfs/dbraw/zinc/88/18/75/393881875.db2.gz ZFMQOIPLKANEKY-CQSZACIVSA-N 1 2 285.395 2.946 10 0 CFAELO CCOCCN1CC[N@@H+]([C@H](C)c2ccccc2F)C[C@@H]1C ZINC000247604712 393900769 /nfs/dbraw/zinc/90/07/69/393900769.db2.gz LLKVCMQFIDHPRL-LSDHHAIUSA-N 1 2 294.414 2.929 10 0 CFAELO CCOCCN1CC[N@H+]([C@H](C)c2ccccc2F)C[C@@H]1C ZINC000247604712 393900773 /nfs/dbraw/zinc/90/07/73/393900773.db2.gz LLKVCMQFIDHPRL-LSDHHAIUSA-N 1 2 294.414 2.929 10 0 CFAELO CCOCCN1CC[N@@H+]([C@@H](C)c2ccccc2F)C[C@H]1C ZINC000247604694 393900790 /nfs/dbraw/zinc/90/07/90/393900790.db2.gz LLKVCMQFIDHPRL-CABCVRRESA-N 1 2 294.414 2.929 10 0 CFAELO CCOCCN1CC[N@H+]([C@@H](C)c2ccccc2F)C[C@H]1C ZINC000247604694 393900796 /nfs/dbraw/zinc/90/07/96/393900796.db2.gz LLKVCMQFIDHPRL-CABCVRRESA-N 1 2 294.414 2.929 10 0 CFAELO CCn1cc[nH+]c1CNc1ccc(F)c(NC(=O)OC)c1 ZINC000124352288 393994121 /nfs/dbraw/zinc/99/41/21/393994121.db2.gz MKUPDJWZAHUMAD-UHFFFAOYSA-N 1 2 292.314 2.833 10 0 CFAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccoc1 ZINC000178417750 394387806 /nfs/dbraw/zinc/38/78/06/394387806.db2.gz FRTGPDOLKXHWQZ-CMPLNLGQSA-N 1 2 260.341 2.619 10 0 CFAELO COc1ccc2[nH+]c(N[C@@H]3CCCn4ncnc43)ccc2c1 ZINC000176854173 542996811 /nfs/dbraw/zinc/99/68/11/542996811.db2.gz OTWIEPQSVJMZHW-CQSZACIVSA-N 1 2 295.346 2.782 10 0 CFAELO Cn1ncnc1C[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000178156830 543001325 /nfs/dbraw/zinc/00/13/25/543001325.db2.gz MMUGGAUREVVCRT-CQSZACIVSA-N 1 2 298.390 2.741 10 0 CFAELO C[C@H]([NH2+]Cc1nccc(N)n1)c1ccc(F)c(Cl)c1 ZINC000180733815 543016265 /nfs/dbraw/zinc/01/62/65/543016265.db2.gz HFPOFLKPIHSERP-QMMMGPOBSA-N 1 2 280.734 2.702 10 0 CFAELO COc1ccsc1[C@H](C)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000186219911 286531239 /nfs/dbraw/zinc/53/12/39/286531239.db2.gz ZGMDVLIXLIDPBB-ONGXEEELSA-N 1 2 292.408 2.842 10 0 CFAELO C[C@@H](COCc1ccccc1)[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000367596360 156358311 /nfs/dbraw/zinc/35/83/11/156358311.db2.gz PEQYPEALPHBRQI-BBRMVZONSA-N 1 2 285.391 2.982 10 0 CFAELO Cc1nnc([C@@H](C)Nc2ccc3ccccc3[nH+]2)s1 ZINC000353294578 163339933 /nfs/dbraw/zinc/33/99/33/163339933.db2.gz SIVHDPWIQBIROO-SECBINFHSA-N 1 2 270.361 2.990 10 0 CFAELO NC(=S)c1cc[nH+]c(NCc2ccc(Cl)cc2)c1 ZINC000020213037 171075395 /nfs/dbraw/zinc/07/53/95/171075395.db2.gz CQRUZDOJBQVXKO-UHFFFAOYSA-N 1 2 277.780 2.981 10 0 CFAELO C[C@@H](Nc1ccc([NH+](C)C)cc1)C(=O)N1CCCCC1 ZINC000035164387 172025619 /nfs/dbraw/zinc/02/56/19/172025619.db2.gz IXRXYVLBTNYCLT-CYBMUJFWSA-N 1 2 275.396 2.566 10 0 CFAELO COC(=O)[C@@H]([NH2+][C@@H](C)c1ccc(C)s1)C(C)C ZINC000035346299 172138254 /nfs/dbraw/zinc/13/82/54/172138254.db2.gz KFBWSNLGDSOOQO-JQWIXIFHSA-N 1 2 255.383 2.905 10 0 CFAELO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1nc(=O)c2sccc2[nH]1 ZINC000036922920 172805666 /nfs/dbraw/zinc/80/56/66/172805666.db2.gz VIOJMSZFUWUWNB-AXFHLTTASA-N 1 2 291.420 2.899 10 0 CFAELO Cn1cc[nH+]c1[C@@H](Nc1cccnc1)c1ccco1 ZINC000037187120 173017051 /nfs/dbraw/zinc/01/70/51/173017051.db2.gz GMCUBZMTRJZNRC-ZDUSSCGKSA-N 1 2 254.293 2.610 10 0 CFAELO Nc1cccnc1SCc1cn2ccccc2[nH+]1 ZINC000037191040 173020405 /nfs/dbraw/zinc/02/04/05/173020405.db2.gz XDVWSNPUCGPRME-UHFFFAOYSA-N 1 2 256.334 2.604 10 0 CFAELO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccccc21)c1ccco1 ZINC000037260237 173070244 /nfs/dbraw/zinc/07/02/44/173070244.db2.gz FLMVVVZGLZKXLV-DGCLKSJQSA-N 1 2 291.372 2.849 10 0 CFAELO CN(Cc1[nH]c2ccc(N)cc2[nH+]1)c1ccccc1 ZINC000037272066 173082896 /nfs/dbraw/zinc/08/28/96/173082896.db2.gz WBBWBCCDQDMSCO-UHFFFAOYSA-N 1 2 252.321 2.782 10 0 CFAELO COC(=O)C(C)(C)[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000037304425 173109569 /nfs/dbraw/zinc/10/95/69/173109569.db2.gz BJUWBIVQBBZHSG-CQSZACIVSA-N 1 2 261.365 2.987 10 0 CFAELO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)c1cc(F)ccc1O ZINC000037333370 173134252 /nfs/dbraw/zinc/13/42/52/173134252.db2.gz KHVOQRIOJLTZTI-PHIMTYICSA-N 1 2 265.328 2.977 10 0 CFAELO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)c1cc(F)ccc1O ZINC000037333370 173134256 /nfs/dbraw/zinc/13/42/56/173134256.db2.gz KHVOQRIOJLTZTI-PHIMTYICSA-N 1 2 265.328 2.977 10 0 CFAELO O=C(Cc1[nH]cc[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000037365794 173154535 /nfs/dbraw/zinc/15/45/35/173154535.db2.gz MYQGXYDJKBVRTC-UHFFFAOYSA-N 1 2 254.211 2.854 10 0 CFAELO COc1cccc2cc([C@H](C)[NH2+]Cc3nc(C)no3)oc21 ZINC000038034211 174032852 /nfs/dbraw/zinc/03/28/52/174032852.db2.gz OSJJIKAGTWWZOW-VIFPVBQESA-N 1 2 287.319 2.984 10 0 CFAELO CCOC(=O)[C@@]1([NH2+][C@@H](C)CC)CCc2ccccc21 ZINC000038067727 174080051 /nfs/dbraw/zinc/08/00/51/174080051.db2.gz RXZYGOAJKGWZJJ-BLLLJJGKSA-N 1 2 261.365 2.779 10 0 CFAELO COC(=O)[C@H]([NH2+][C@@H](c1ccc(OC)cc1)C1CC1)C(C)C ZINC000040217185 174205405 /nfs/dbraw/zinc/20/54/05/174205405.db2.gz BVYIQSRDIRBXOK-HZPDHXFCSA-N 1 2 291.391 2.934 10 0 CFAELO O=C(Cn1c2ccccc2[nH+]c1C1CC1)N1CCCCC1 ZINC000040231721 174210405 /nfs/dbraw/zinc/21/04/05/174210405.db2.gz FWDHHRHQZZXGIS-UHFFFAOYSA-N 1 2 283.375 2.926 10 0 CFAELO CCCc1[nH+]c2ccccc2n1CC(=O)NC(C)C ZINC000040295704 174223410 /nfs/dbraw/zinc/22/34/10/174223410.db2.gz RNGOKFRURPCFJL-UHFFFAOYSA-N 1 2 259.353 2.513 10 0 CFAELO CCCCNC(=O)Cn1c(CCC)[nH+]c2ccccc21 ZINC000040295696 174223633 /nfs/dbraw/zinc/22/36/33/174223633.db2.gz IVCUKLUFDNQNAN-UHFFFAOYSA-N 1 2 273.380 2.905 10 0 CFAELO FC(F)(F)C(F)(F)c1nc([C@@H]2CCCC[NH2+]2)no1 ZINC000040557870 174332115 /nfs/dbraw/zinc/33/21/15/174332115.db2.gz HPGVRMUFXWBMHV-YFKPBYRVSA-N 1 2 271.189 2.538 10 0 CFAELO CN(Cc1ccccc1)c1[nH+]cnc(NC(C)(C)C)c1N ZINC000040662048 174366011 /nfs/dbraw/zinc/36/60/11/174366011.db2.gz VJTFYLXZOHQTER-UHFFFAOYSA-N 1 2 285.395 2.906 10 0 CFAELO CCN(c1cccc(C)c1)c1nc[nH+]c(NC)c1N ZINC000040661722 174366087 /nfs/dbraw/zinc/36/60/87/174366087.db2.gz IKJRGPNMNCRYQK-UHFFFAOYSA-N 1 2 257.341 2.567 10 0 CFAELO CCN(c1cccc(C)c1)c1[nH+]cnc(NC)c1N ZINC000040661722 174366090 /nfs/dbraw/zinc/36/60/90/174366090.db2.gz IKJRGPNMNCRYQK-UHFFFAOYSA-N 1 2 257.341 2.567 10 0 CFAELO CCCCNc1[nH+]cnc(Nc2cccc(C)n2)c1N ZINC000040685288 174375464 /nfs/dbraw/zinc/37/54/64/174375464.db2.gz NPSMRSJZZQQPOL-UHFFFAOYSA-N 1 2 272.356 2.718 10 0 CFAELO CCOC1CC[NH+](CC(=O)c2ccc(CC)cc2)CC1 ZINC000040689779 174376493 /nfs/dbraw/zinc/37/64/93/174376493.db2.gz WXBYQOORRAATOC-UHFFFAOYSA-N 1 2 275.392 2.933 10 0 CFAELO CCOC1CC[NH+](CC(=O)c2ccc(F)c(F)c2)CC1 ZINC000040689782 174376637 /nfs/dbraw/zinc/37/66/37/174376637.db2.gz CETZLWSUJPJZPE-UHFFFAOYSA-N 1 2 283.318 2.648 10 0 CFAELO CNc1[nH+]cnc(Nc2cc(Cl)ccc2OC)c1N ZINC000040702243 174378941 /nfs/dbraw/zinc/37/89/41/174378941.db2.gz PTWOXKGWKWCGTL-UHFFFAOYSA-N 1 2 279.731 2.506 10 0 CFAELO CCN(CC)c1nc[nH+]c(Nc2cccc(C(C)=O)c2)c1N ZINC000040705174 174379423 /nfs/dbraw/zinc/37/94/23/174379423.db2.gz VEUZQUPHMHHGJQ-UHFFFAOYSA-N 1 2 299.378 2.851 10 0 CFAELO CCN(CC)c1[nH+]cnc(Nc2cccc(C(C)=O)c2)c1N ZINC000040705174 174379425 /nfs/dbraw/zinc/37/94/25/174379425.db2.gz VEUZQUPHMHHGJQ-UHFFFAOYSA-N 1 2 299.378 2.851 10 0 CFAELO CNc1nc[nH+]c(Nc2ccc(Br)cc2)c1N ZINC000040706980 174379785 /nfs/dbraw/zinc/37/97/85/174379785.db2.gz SBTSOCKSVIVWKY-UHFFFAOYSA-N 1 2 294.156 2.607 10 0 CFAELO CNc1[nH+]cnc(Nc2ccc(Br)cc2)c1N ZINC000040706980 174379786 /nfs/dbraw/zinc/37/97/86/174379786.db2.gz SBTSOCKSVIVWKY-UHFFFAOYSA-N 1 2 294.156 2.607 10 0 CFAELO CCCNc1[nH+]cnc(Nc2ccc(C(C)=O)cc2)c1N ZINC000040707794 174380095 /nfs/dbraw/zinc/38/00/95/174380095.db2.gz LABOIGNYKLZYCO-UHFFFAOYSA-N 1 2 285.351 2.827 10 0 CFAELO CCCNc1nc[nH+]c(Nc2ccc(C(C)=O)cc2)c1N ZINC000040707794 174380097 /nfs/dbraw/zinc/38/00/97/174380097.db2.gz LABOIGNYKLZYCO-UHFFFAOYSA-N 1 2 285.351 2.827 10 0 CFAELO CCCNc1nc[nH+]c(Nc2ccc(C)cc2)c1N ZINC000040707780 174380342 /nfs/dbraw/zinc/38/03/42/174380342.db2.gz KIRDSBCLMHXISG-UHFFFAOYSA-N 1 2 257.341 2.933 10 0 CFAELO CCCNc1[nH+]cnc(Nc2ccc(C)cc2)c1N ZINC000040707780 174380343 /nfs/dbraw/zinc/38/03/43/174380343.db2.gz KIRDSBCLMHXISG-UHFFFAOYSA-N 1 2 257.341 2.933 10 0 CFAELO CCCNc1[nH+]cnc(Nc2ccc(F)c(F)c2)c1N ZINC000040707930 174380355 /nfs/dbraw/zinc/38/03/55/174380355.db2.gz IPGUDTVCXKFGLA-UHFFFAOYSA-N 1 2 279.294 2.903 10 0 CFAELO CCCNc1nc[nH+]c(Nc2ccc(F)c(F)c2)c1N ZINC000040707930 174380357 /nfs/dbraw/zinc/38/03/57/174380357.db2.gz IPGUDTVCXKFGLA-UHFFFAOYSA-N 1 2 279.294 2.903 10 0 CFAELO CCN(CC)c1[nH+]cnc(NCc2ccc(F)cc2)c1N ZINC000040723338 174385820 /nfs/dbraw/zinc/38/58/20/174385820.db2.gz COTMOBZLMSWQQB-UHFFFAOYSA-N 1 2 289.358 2.656 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n(Cc2ccc(Cl)cc2)c1N ZINC000044590268 175212218 /nfs/dbraw/zinc/21/22/18/175212218.db2.gz FSMPGBBRSWQLJJ-UHFFFAOYSA-N 1 2 293.754 2.652 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H](C)[C@@H](C)CC)c1N ZINC000044591066 175212439 /nfs/dbraw/zinc/21/24/39/175212439.db2.gz IVWOJWYODDRZDR-IUCAKERBSA-N 1 2 253.346 2.558 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H](CC)C(C)C)c1N ZINC000044591120 175212511 /nfs/dbraw/zinc/21/25/11/175212511.db2.gz ZVYGFMUVTXNSQP-SNVBAGLBSA-N 1 2 253.346 2.558 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H](C)c2ccccc2F)c1N ZINC000044591048 175212663 /nfs/dbraw/zinc/21/26/63/175212663.db2.gz BHAPWXBDYOKTOT-VIFPVBQESA-N 1 2 291.326 2.699 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H](C)CCc2ccco2)c1N ZINC000044591443 175212860 /nfs/dbraw/zinc/21/28/60/175212860.db2.gz UETGNAKRAZFHPQ-JTQLQIEISA-N 1 2 291.351 2.737 10 0 CFAELO c1cc2c(s1)CC[NH2+][C@@H]2c1nc(Cc2ccccc2)no1 ZINC000044592936 175214236 /nfs/dbraw/zinc/21/42/36/175214236.db2.gz YFWXTXBTRQPHII-HNNXBMFYSA-N 1 2 297.383 2.957 10 0 CFAELO Cc1nc(C[N@@H+](C)Cc2ccc(C(N)=S)cc2)cs1 ZINC000044609209 175216538 /nfs/dbraw/zinc/21/65/38/175216538.db2.gz ONFYUKFKDRJVBF-UHFFFAOYSA-N 1 2 291.445 2.718 10 0 CFAELO Cc1nc(C[N@H+](C)Cc2ccc(C(N)=S)cc2)cs1 ZINC000044609209 175216539 /nfs/dbraw/zinc/21/65/39/175216539.db2.gz ONFYUKFKDRJVBF-UHFFFAOYSA-N 1 2 291.445 2.718 10 0 CFAELO NC(=S)c1ccc[nH+]c1N[C@@H]1C[C@@H]1c1ccccc1 ZINC000044660418 175226196 /nfs/dbraw/zinc/22/61/96/175226196.db2.gz GENWOJSMKDABGO-CHWSQXEVSA-N 1 2 269.373 2.684 10 0 CFAELO Cc1ccc(C(N)=S)c(N[C@H]2C[C@H]2c2ccccc2)[nH+]1 ZINC000044660485 175226241 /nfs/dbraw/zinc/22/62/41/175226241.db2.gz IXQDXNYWSCYOKU-KBPBESRZSA-N 1 2 283.400 2.992 10 0 CFAELO COc1ccc([C@H](C)[NH2+]Cc2cc(C)on2)cc1OC ZINC000044692428 175233666 /nfs/dbraw/zinc/23/36/66/175233666.db2.gz QUHLBZAPMHXIRB-NSHDSACASA-N 1 2 276.336 2.851 10 0 CFAELO C[C@H](O)CNc1[nH+]c2ccccc2n1-c1ccccc1 ZINC000044787292 175254353 /nfs/dbraw/zinc/25/43/53/175254353.db2.gz VUCZLTROCGVKFN-LBPRGKRZSA-N 1 2 267.332 2.818 10 0 CFAELO CCOC(=O)c1cc(N)ccc1[N@H+](C)CC(C)(C)C ZINC000045091918 175305948 /nfs/dbraw/zinc/30/59/48/175305948.db2.gz CGDJMADGWWMLKS-UHFFFAOYSA-N 1 2 264.369 2.928 10 0 CFAELO CCOC(=O)c1cc(N)ccc1[N@@H+](C)CC(C)(C)C ZINC000045091918 175305950 /nfs/dbraw/zinc/30/59/50/175305950.db2.gz CGDJMADGWWMLKS-UHFFFAOYSA-N 1 2 264.369 2.928 10 0 CFAELO NC(=O)c1cc(N)ccc1[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000045091950 175306143 /nfs/dbraw/zinc/30/61/43/175306143.db2.gz CZAJNXQQQSTNDO-AWEZNQCLSA-N 1 2 273.380 2.527 10 0 CFAELO NC(=O)c1cc(N)ccc1[N@H+]1CCC[C@H]1C1CCCC1 ZINC000045091950 175306144 /nfs/dbraw/zinc/30/61/44/175306144.db2.gz CZAJNXQQQSTNDO-AWEZNQCLSA-N 1 2 273.380 2.527 10 0 CFAELO CC(C)c1[nH+]c2cc(C(=O)[O-])ccc2n1C[C@@H](C)[NH+](C)C ZINC000045108975 175308659 /nfs/dbraw/zinc/30/86/59/175308659.db2.gz IEVIDNUZCZKBNF-LLVKDONJSA-N 1 2 289.379 2.808 10 0 CFAELO CCn1nc(C)c([C@@H](C)[NH2+]Cc2nccs2)c1C ZINC000045172234 175321588 /nfs/dbraw/zinc/32/15/88/175321588.db2.gz OQDIIQYSXXJBLN-SECBINFHSA-N 1 2 264.398 2.827 10 0 CFAELO CCn1nc(C)c([C@H](C)[NH2+]Cc2nccs2)c1C ZINC000045172236 175321839 /nfs/dbraw/zinc/32/18/39/175321839.db2.gz 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/nfs/dbraw/zinc/89/27/93/526892793.db2.gz OCRJFFXFATZTHB-VIFPVBQESA-N 1 2 297.811 2.528 10 0 CFAELO NC(=S)c1cc(N2CCC[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000061812666 527114988 /nfs/dbraw/zinc/11/49/88/527114988.db2.gz JWRGCECQOUMYSE-FZMZJTMJSA-N 1 2 275.421 2.875 10 0 CFAELO NC(=S)c1cc(N[C@@H]2CCc3ccccc3C2)cc[nH+]1 ZINC000061813300 527116328 /nfs/dbraw/zinc/11/63/28/527116328.db2.gz QTTXTPOZYHLLMI-CYBMUJFWSA-N 1 2 283.400 2.685 10 0 CFAELO NNc1cccc(C(=O)Nc2cccc3ccccc32)[nH+]1 ZINC000051089196 527283102 /nfs/dbraw/zinc/28/31/02/527283102.db2.gz IPCVGRLJIKVNAV-UHFFFAOYSA-N 1 2 278.315 2.773 10 0 CFAELO NNc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)[nH+]1 ZINC000051089102 527283749 /nfs/dbraw/zinc/28/37/49/527283749.db2.gz XGHWLZSFMHOIMX-UHFFFAOYSA-N 1 2 297.145 2.926 10 0 CFAELO NNc1[nH+]c(C(=O)Nc2ccccc2)cc2ccccc21 ZINC000051093744 527285804 /nfs/dbraw/zinc/28/58/04/527285804.db2.gz JDOFDQWHYZENMV-UHFFFAOYSA-N 1 2 278.315 2.773 10 0 CFAELO Nc1ccc(NC(=O)Cc2c(F)cccc2Cl)c[nH+]1 ZINC000061680590 527492414 /nfs/dbraw/zinc/49/24/14/527492414.db2.gz QAORMBBVSQJRLH-UHFFFAOYSA-N 1 2 279.702 2.638 10 0 CFAELO Nc1ccc(OCCCn2cc[nH+]c2)c(Cl)c1 ZINC000049326937 527496089 /nfs/dbraw/zinc/49/60/89/527496089.db2.gz RZOQDEGJWMDABZ-UHFFFAOYSA-N 1 2 251.717 2.588 10 0 CFAELO Nc1ccc(OCCCn2cc[nH+]c2)cc1Cl ZINC000050471310 527496412 /nfs/dbraw/zinc/49/64/12/527496412.db2.gz KTZHVLHGJARHLL-UHFFFAOYSA-N 1 2 251.717 2.588 10 0 CFAELO OCC1CC[NH+](Cc2nc3sccc3c(Cl)n2)CC1 ZINC000050839896 527529024 /nfs/dbraw/zinc/52/90/24/527529024.db2.gz RHVDEYFSBUVHOF-UHFFFAOYSA-N 1 2 297.811 2.549 10 0 CFAELO Nc1[nH+]c2ccccc2cc1Cn1cc(Cl)cn1 ZINC000050829741 527561961 /nfs/dbraw/zinc/56/19/61/527561961.db2.gz GMRUQUICUIUWRG-UHFFFAOYSA-N 1 2 258.712 2.715 10 0 CFAELO CC(C)n1nnnc1C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000179562458 528701246 /nfs/dbraw/zinc/70/12/46/528701246.db2.gz RWWWBAPTEKVTSO-VIFPVBQESA-N 1 2 297.765 2.897 10 0 CFAELO CCCc1nc(C[S@@](=O)Cc2[nH+]ccn2CC)cs1 ZINC000176836798 528755035 /nfs/dbraw/zinc/75/50/35/528755035.db2.gz NUFHQRMYUOQNJU-LJQANCHMSA-N 1 2 297.449 2.761 10 0 CFAELO CC(C)[N@H+](CC(F)F)C[C@H](O)COCc1ccccc1 ZINC000128055596 528867272 /nfs/dbraw/zinc/86/72/72/528867272.db2.gz LTAKEJDGNACNBW-AWEZNQCLSA-N 1 2 287.350 2.540 10 0 CFAELO CC(C)[N@@H+](CC(F)F)C[C@H](O)COCc1ccccc1 ZINC000128055596 528867278 /nfs/dbraw/zinc/86/72/78/528867278.db2.gz LTAKEJDGNACNBW-AWEZNQCLSA-N 1 2 287.350 2.540 10 0 CFAELO CC[N@H+](Cc1nnnn1C(C)C)[C@@H](C)c1cccc(O)c1 ZINC000178372205 528893294 /nfs/dbraw/zinc/89/32/94/528893294.db2.gz DACHMIOHBWHMGS-LBPRGKRZSA-N 1 2 289.383 2.543 10 0 CFAELO CC[N@@H+](Cc1nnnn1C(C)C)[C@@H](C)c1cccc(O)c1 ZINC000178372205 528893298 /nfs/dbraw/zinc/89/32/98/528893298.db2.gz DACHMIOHBWHMGS-LBPRGKRZSA-N 1 2 289.383 2.543 10 0 CFAELO CSc1cnc([C@@H]2[NH2+]CCc3ccoc32)s1 ZINC000712921364 567855181 /nfs/dbraw/zinc/85/51/81/567855181.db2.gz CWWXKROQOYLHQF-SECBINFHSA-N 1 2 252.364 2.693 10 0 CFAELO Cc1nnc([C@H]2C[N@H+](CCCCC(C)C)CCO2)o1 ZINC000894090430 618318718 /nfs/dbraw/zinc/31/87/18/618318718.db2.gz MAMVTDADQZBLRA-CYBMUJFWSA-N 1 2 267.373 2.578 10 0 CFAELO Cc1nnc([C@H]2C[N@@H+](CCCCC(C)C)CCO2)o1 ZINC000894090430 618318722 /nfs/dbraw/zinc/31/87/22/618318722.db2.gz MAMVTDADQZBLRA-CYBMUJFWSA-N 1 2 267.373 2.578 10 0 CFAELO C[C@H]1CC[C@@H](n2c[nH+]c(C[C@H](CCC[NH3+])C(=O)[O-])c2)CC1 ZINC000169698786 620050509 /nfs/dbraw/zinc/05/05/09/620050509.db2.gz AEHFUSPLVGWEEP-YDHLFZDLSA-N 1 2 293.411 2.617 10 0 CFAELO Cc1cnc([C@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)o1 ZINC000230644347 623287810 /nfs/dbraw/zinc/28/78/10/623287810.db2.gz VDQPSVNBUZKQLB-CABZTGNLSA-N 1 2 282.290 2.645 10 0 CFAELO Cn1nc(C[NH2+][C@@H]2COc3ccccc32)c2ccccc21 ZINC000112838539 635429027 /nfs/dbraw/zinc/42/90/27/635429027.db2.gz YZJGTTINOZDGAE-OAHLLOKOSA-N 1 2 279.343 2.797 10 0 CFAELO CC(=O)[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000133595907 646170774 /nfs/dbraw/zinc/17/07/74/646170774.db2.gz IPLIRQZAGBCPLE-LLVKDONJSA-N 1 2 253.292 2.766 10 0 CFAELO CC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000133595907 646170782 /nfs/dbraw/zinc/17/07/82/646170782.db2.gz IPLIRQZAGBCPLE-LLVKDONJSA-N 1 2 253.292 2.766 10 0 CFAELO COC(=O)C[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127779493 187332996 /nfs/dbraw/zinc/33/29/96/187332996.db2.gz MCLHSUPYWROHEF-LLVKDONJSA-N 1 2 282.409 2.619 10 0 CFAELO COC(=O)C[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127779493 187332998 /nfs/dbraw/zinc/33/29/98/187332998.db2.gz MCLHSUPYWROHEF-LLVKDONJSA-N 1 2 282.409 2.619 10 0 CFAELO C[C@@H](NC(=O)[C@@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000125162520 187172174 /nfs/dbraw/zinc/17/21/74/187172174.db2.gz RCEPDDAWBPHIMA-CJNGLKHVSA-N 1 2 299.374 2.619 10 0 CFAELO C[N@@H+]1CCO[C@@H](CNc2nc(-c3ccccc3)cs2)C1 ZINC000126620557 187252098 /nfs/dbraw/zinc/25/20/98/187252098.db2.gz VQLCXIWSTOPBIM-ZDUSSCGKSA-N 1 2 289.404 2.553 10 0 CFAELO C[N@H+]1CCO[C@@H](CNc2nc(-c3ccccc3)cs2)C1 ZINC000126620557 187252100 /nfs/dbraw/zinc/25/21/00/187252100.db2.gz VQLCXIWSTOPBIM-ZDUSSCGKSA-N 1 2 289.404 2.553 10 0 CFAELO CC1(C)CCCC[C@H]1NC(=S)Nc1ccc(N)[nH+]c1 ZINC000013600670 346232837 /nfs/dbraw/zinc/23/28/37/346232837.db2.gz SYKTZCRQOWREIP-LLVKDONJSA-N 1 2 278.425 2.919 10 0 CFAELO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000085133668 347477794 /nfs/dbraw/zinc/47/77/94/347477794.db2.gz PXAABKZRYAACPC-KXUCPTDWSA-N 1 2 267.291 2.649 10 0 CFAELO Cc1nc(N)c(Br)c(C2CCCC2)[nH+]1 ZINC000127504331 347842205 /nfs/dbraw/zinc/84/22/05/347842205.db2.gz CLKFAWBDULBUBV-UHFFFAOYSA-N 1 2 256.147 2.787 10 0 CFAELO Cc1cc(-c2occc2Br)c[nH+]c1N ZINC000129734180 347864277 /nfs/dbraw/zinc/86/42/77/347864277.db2.gz IJVNYZRGXYYBBF-UHFFFAOYSA-N 1 2 253.099 2.995 10 0 CFAELO CCOC(=O)[C@H](c1ccccc1C(F)(F)F)[NH+](C)C ZINC000165332097 348038693 /nfs/dbraw/zinc/03/86/93/348038693.db2.gz UXYOSSCZOCYCQP-NSHDSACASA-N 1 2 275.270 2.871 10 0 CFAELO Nc1nc(N)c2ccc(-c3c(F)cccc3F)cc2[nH+]1 ZINC000166662708 348043637 /nfs/dbraw/zinc/04/36/37/348043637.db2.gz CGDYDRXGSBDTDO-UHFFFAOYSA-N 1 2 272.258 2.739 10 0 CFAELO Fc1ccc(Br)c([C@@H]2[NH2+]CCS2)c1 ZINC000236156586 348231928 /nfs/dbraw/zinc/23/19/28/348231928.db2.gz GYNFGGFRWXNRER-SECBINFHSA-N 1 2 262.147 2.923 10 0 CFAELO CN(c1cc[nH+]c(C2CC2)n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000301375652 282600733 /nfs/dbraw/zinc/60/07/33/282600733.db2.gz VVIXLJIUDCLUEI-MRVWCRGKSA-N 1 2 273.380 2.604 10 0 CFAELO c1ccc2c(c1)CN(c1cc(N[C@@H]3CCCOC3)[nH+]cn1)C2 ZINC000328638583 348441950 /nfs/dbraw/zinc/44/19/50/348441950.db2.gz PFALGFOUDMOYMW-OAHLLOKOSA-N 1 2 296.374 2.588 10 0 CFAELO c1ccc2c(c1)CN(c1cc(N[C@@H]3CCCOC3)nc[nH+]1)C2 ZINC000328638583 348441952 /nfs/dbraw/zinc/44/19/52/348441952.db2.gz PFALGFOUDMOYMW-OAHLLOKOSA-N 1 2 296.374 2.588 10 0 CFAELO Nc1c[nH+]c2c(Cl)ccc(Br)c2c1N ZINC000584882789 348726617 /nfs/dbraw/zinc/72/66/17/348726617.db2.gz RTWHUQQGQHFRRJ-UHFFFAOYSA-N 1 2 272.533 2.645 10 0 CFAELO CCOc1ncc(-c2cc(N)c[nH+]c2C)cc1C1(C)COC1 ZINC000584613247 348690074 /nfs/dbraw/zinc/69/00/74/348690074.db2.gz UFDNLVIEMGVGJU-UHFFFAOYSA-N 1 2 299.374 2.721 10 0 CFAELO Cc1[nH+]c(N)[nH]c1-c1ccc(C(F)(F)F)cc1F ZINC000584644533 348700735 /nfs/dbraw/zinc/70/07/35/348700735.db2.gz YMTDJLLFMPPSJM-UHFFFAOYSA-N 1 2 259.206 2.956 10 0 CFAELO CCCOc1cc(N[C@@H](C)COCC)ccc1[NH3+] ZINC000104250682 185944064 /nfs/dbraw/zinc/94/40/64/185944064.db2.gz ATVMMOHDMGYHFN-NSHDSACASA-N 1 2 252.358 2.895 10 0 CFAELO CCn1c(C)nnc1C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000111239576 186374199 /nfs/dbraw/zinc/37/41/99/186374199.db2.gz WYHFSMVVSNLBMF-NSHDSACASA-N 1 2 274.368 2.505 10 0 CFAELO CCn1c(C)nnc1C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000111239576 186374200 /nfs/dbraw/zinc/37/42/00/186374200.db2.gz WYHFSMVVSNLBMF-NSHDSACASA-N 1 2 274.368 2.505 10 0 CFAELO Nc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119214403 186811289 /nfs/dbraw/zinc/81/12/89/186811289.db2.gz HPVASMFTDCIIRX-UHFFFAOYSA-N 1 2 278.315 2.707 10 0 CFAELO Cc1ncccc1C[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000123346917 187085739 /nfs/dbraw/zinc/08/57/39/187085739.db2.gz VVQALCPGUVYUJW-UHFFFAOYSA-N 1 2 284.407 2.805 10 0 CFAELO Cc1ncccc1C[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000123346917 187085740 /nfs/dbraw/zinc/08/57/40/187085740.db2.gz VVQALCPGUVYUJW-UHFFFAOYSA-N 1 2 284.407 2.805 10 0 CFAELO Cc1ncccc1CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000123346917 187085741 /nfs/dbraw/zinc/08/57/41/187085741.db2.gz VVQALCPGUVYUJW-UHFFFAOYSA-N 1 2 284.407 2.805 10 0 CFAELO COC(=O)N1CC[C@@H](c2cc[nH+]c(N)c2)c2ccccc21 ZINC000616588946 352376359 /nfs/dbraw/zinc/37/63/59/352376359.db2.gz ZIMGSMRBZWRLJZ-LBPRGKRZSA-N 1 2 283.331 2.603 10 0 CFAELO CCOC(=O)N1CCCCC[C@H]1c1ccc(N)[nH+]c1 ZINC000616622440 352387945 /nfs/dbraw/zinc/38/79/45/352387945.db2.gz YQBUARMUQURGMF-LBPRGKRZSA-N 1 2 263.341 2.568 10 0 CFAELO CC(C)(C)OC(=O)N1CCC[C@H](c2c[nH+]c[nH]2)CC1 ZINC000616627861 352390633 /nfs/dbraw/zinc/39/06/33/352390633.db2.gz CCNMYJQJYOWCBU-NSHDSACASA-N 1 2 265.357 2.914 10 0 CFAELO CC(C)(C)OC(=O)N1CCC[C@H](c2c[nH]c[nH+]2)CC1 ZINC000616627861 352390635 /nfs/dbraw/zinc/39/06/35/352390635.db2.gz CCNMYJQJYOWCBU-NSHDSACASA-N 1 2 265.357 2.914 10 0 CFAELO CC(C)(C)OC(=O)N1CCC[C@@H](n2cc[nH+]c2)CC1 ZINC000616631089 352392621 /nfs/dbraw/zinc/39/26/21/352392621.db2.gz QOTZRTAUFMGKBK-GFCCVEGCSA-N 1 2 265.357 2.845 10 0 CFAELO CC(C)(C)OC(=O)N1CCCC[C@H](n2cc[nH+]c2)C1 ZINC000616630600 352392647 /nfs/dbraw/zinc/39/26/47/352392647.db2.gz NHSKNWJRFMRURZ-LBPRGKRZSA-N 1 2 265.357 2.845 10 0 CFAELO COC(=O)N1CC[C@@H](c2ccc(N)[nH+]c2)c2ccccc21 ZINC000616676384 352408553 /nfs/dbraw/zinc/40/85/53/352408553.db2.gz SFBYZOSGAQTDSB-LBPRGKRZSA-N 1 2 283.331 2.603 10 0 CFAELO COC(=O)N1C[C@H](Nc2cccc[nH+]2)Cc2ccccc21 ZINC000616669774 352405932 /nfs/dbraw/zinc/40/59/32/352405932.db2.gz IISIVFBTSUOZDX-CYBMUJFWSA-N 1 2 283.331 2.691 10 0 CFAELO CC(C)n1cc[nH+]c1C[S@](=O)Cc1ccccc1 ZINC000177071838 189026226 /nfs/dbraw/zinc/02/62/26/189026226.db2.gz HQJHTIJKJRGOEY-GOSISDBHSA-N 1 2 262.378 2.913 10 0 CFAELO COc1ccc([S@](=O)Cc2[nH+]ccn2C(C)C)cc1 ZINC000177087614 189028117 /nfs/dbraw/zinc/02/81/17/189028117.db2.gz XZZHUKFZZOPPHC-LJQANCHMSA-N 1 2 278.377 2.780 10 0 CFAELO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(Cl)nc1 ZINC000179137494 189172782 /nfs/dbraw/zinc/17/27/82/189172782.db2.gz TVIRFTRMPIXUJT-KOLCDFICSA-N 1 2 277.759 2.512 10 0 CFAELO CC(C)c1nnc(C[N@@H+]2CCC[C@@H]2c2ccncc2)n1C ZINC000179570570 189203097 /nfs/dbraw/zinc/20/30/97/189203097.db2.gz LVDXJGIWEPDRHU-CQSZACIVSA-N 1 2 285.395 2.671 10 0 CFAELO CC(C)c1nnc(C[N@H+]2CCC[C@@H]2c2ccncc2)n1C ZINC000179570570 189203098 /nfs/dbraw/zinc/20/30/98/189203098.db2.gz LVDXJGIWEPDRHU-CQSZACIVSA-N 1 2 285.395 2.671 10 0 CFAELO COCc1noc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000180246078 189245997 /nfs/dbraw/zinc/24/59/97/189245997.db2.gz RMIVXGRQICFJTQ-MRVPVSSYSA-N 1 2 299.733 2.859 10 0 CFAELO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2F)[nH]1 ZINC000392359751 541012366 /nfs/dbraw/zinc/01/23/66/541012366.db2.gz WQJSKKXKYJDOKN-SFYZADRCSA-N 1 2 266.295 2.803 10 0 CFAELO COCc1noc([C@H](C)[NH2+][C@H](C)c2cccs2)n1 ZINC000183009645 189343079 /nfs/dbraw/zinc/34/30/79/189343079.db2.gz YRQYRTSFTATGOQ-BDAKNGLRSA-N 1 2 267.354 2.689 10 0 CFAELO C[C@@H]1C[C@@H](C(=O)NCCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000182892032 189338490 /nfs/dbraw/zinc/33/84/90/189338490.db2.gz NERSFQODTUYLIQ-ZIAGYGMSSA-N 1 2 277.412 2.852 10 0 CFAELO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc(F)c1F ZINC000183279352 189353099 /nfs/dbraw/zinc/35/30/99/189353099.db2.gz LHVOLCQAJLULLD-CABZTGNLSA-N 1 2 278.306 2.742 10 0 CFAELO CC(=O)CCCC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000184830115 189397001 /nfs/dbraw/zinc/39/70/01/189397001.db2.gz OIXJDDMFHYLILO-AWEZNQCLSA-N 1 2 299.374 2.809 10 0 CFAELO Fc1ccc2ncnc(N3CCC[C@@H]3Cn3cc[nH+]c3)c2c1 ZINC000301968549 201281183 /nfs/dbraw/zinc/28/11/83/201281183.db2.gz YPSJEXOAFMBUSP-CYBMUJFWSA-N 1 2 297.337 2.634 10 0 CFAELO Fc1ccc2ncnc(N3CCC[C@H]3Cn3cc[nH+]c3)c2c1 ZINC000301968550 201282226 /nfs/dbraw/zinc/28/22/26/201282226.db2.gz YPSJEXOAFMBUSP-ZDUSSCGKSA-N 1 2 297.337 2.634 10 0 CFAELO COC(=O)[C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC000079026477 284087000 /nfs/dbraw/zinc/08/70/00/284087000.db2.gz ZINYYVDVYCVETJ-JQWIXIFHSA-N 1 2 287.281 2.714 10 0 CFAELO CCCn1c(C)nnc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000158652345 284128888 /nfs/dbraw/zinc/12/88/88/284128888.db2.gz KUSRCVSYFAKBNN-CYBMUJFWSA-N 1 2 274.368 2.927 10 0 CFAELO CCCn1c(C)nnc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000158652345 284128889 /nfs/dbraw/zinc/12/88/89/284128889.db2.gz KUSRCVSYFAKBNN-CYBMUJFWSA-N 1 2 274.368 2.927 10 0 CFAELO Nc1[nH+]c2c(ccc3ncccc23)n1C(F)(F)F ZINC000016159174 372101527 /nfs/dbraw/zinc/10/15/27/372101527.db2.gz GPRQKZYKVMLCDG-UHFFFAOYSA-N 1 2 252.199 2.643 10 0 CFAELO CC(=O)Nc1ccc(C(=O)[C@@H](C)[NH+]2CCCC2)cc1Cl ZINC000033638414 372497682 /nfs/dbraw/zinc/49/76/82/372497682.db2.gz MJKJGALYWSDOTP-SNVBAGLBSA-N 1 2 294.782 2.965 10 0 CFAELO CCNC(=O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000036780418 372591292 /nfs/dbraw/zinc/59/12/92/372591292.db2.gz JGLICTZTEUQEHN-SSDOTTSWSA-N 1 2 293.169 2.919 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CCc1nnc(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)n1C ZINC000195082390 393730407 /nfs/dbraw/zinc/73/04/07/393730407.db2.gz TUGLZLLZTADNFC-ZDUSSCGKSA-N 1 2 272.396 2.879 10 0 CFAELO Cn1c[nH+]cc1CN[C@@H](Cc1ccccc1)C(F)(F)F ZINC000130016491 394098914 /nfs/dbraw/zinc/09/89/14/394098914.db2.gz NBOLUYOGDVIFEE-ZDUSSCGKSA-N 1 2 283.297 2.683 10 0 CFAELO CCCC[C@@H]([NH2+]CC1=CCCOC1)C(=O)OC(C)(C)C ZINC000156541384 394335165 /nfs/dbraw/zinc/33/51/65/394335165.db2.gz BBBNMUSWXHJHIA-CQSZACIVSA-N 1 2 283.412 2.823 10 0 CFAELO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)COCc1ccccc1 ZINC000180654533 543015566 /nfs/dbraw/zinc/01/55/66/543015566.db2.gz KRICXBZDICQQTD-CHWSQXEVSA-N 1 2 273.380 2.974 10 0 CFAELO Nc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)cn1 ZINC000647515164 395371031 /nfs/dbraw/zinc/37/10/31/395371031.db2.gz TWIBSUUZCSPBIV-LBPRGKRZSA-N 1 2 274.393 2.678 10 0 CFAELO Nc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)cn1 ZINC000647515164 395371036 /nfs/dbraw/zinc/37/10/36/395371036.db2.gz TWIBSUUZCSPBIV-LBPRGKRZSA-N 1 2 274.393 2.678 10 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ZINC000043561864 175066250 /nfs/dbraw/zinc/06/62/50/175066250.db2.gz ZESKXKFGRFMNFI-UHFFFAOYSA-N 1 2 250.305 2.825 10 0 CFAELO CC(=O)Nc1ccc(Sc2cc(N)cc[nH+]2)cc1 ZINC000043569686 175068111 /nfs/dbraw/zinc/06/81/11/175068111.db2.gz GXBPYLABXHJHOM-UHFFFAOYSA-N 1 2 259.334 2.773 10 0 CFAELO CCOC(=O)[C@H](C)Cn1cc[nH+]c1-c1ccccc1 ZINC000043615034 175079746 /nfs/dbraw/zinc/07/97/46/175079746.db2.gz MEZSJCYYIFXCMH-GFCCVEGCSA-N 1 2 258.321 2.749 10 0 CFAELO CCOc1ccccc1[C@@H](C[N@H+](CC)[C@@H](C)COC)NC ZINC000043981081 175134076 /nfs/dbraw/zinc/13/40/76/175134076.db2.gz ANOSRIVUCVAOFF-GOEBONIOSA-N 1 2 294.439 2.703 10 0 CFAELO CCOc1ccccc1[C@@H](C[N@@H+](CC)[C@@H](C)COC)NC ZINC000043981081 175134078 /nfs/dbraw/zinc/13/40/78/175134078.db2.gz ANOSRIVUCVAOFF-GOEBONIOSA-N 1 2 294.439 2.703 10 0 CFAELO C[C@H](C[NH+]1CCOCC1)n1c2ccccc2[nH]c1=S ZINC000044388281 175170037 /nfs/dbraw/zinc/17/00/37/175170037.db2.gz IPPTXCVLODIJAY-LLVKDONJSA-N 1 2 277.393 2.592 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n(C[C@H]2CCCC[C@@H]2C)c1N ZINC000044590945 175212680 /nfs/dbraw/zinc/21/26/80/175212680.db2.gz USBTVRLDBCSMCE-CMPLNLGQSA-N 1 2 279.384 2.777 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H](CC)C(C)C)c1N ZINC000044591118 175212744 /nfs/dbraw/zinc/21/27/44/175212744.db2.gz ZVYGFMUVTXNSQP-JTQLQIEISA-N 1 2 253.346 2.558 10 0 CFAELO Cc1nc(C[N@@H+](C)Cc2cc(F)ccc2N)cs1 ZINC000044595064 175215271 /nfs/dbraw/zinc/21/52/71/175215271.db2.gz MADVBNQJNYVPSM-UHFFFAOYSA-N 1 2 265.357 2.805 10 0 CFAELO Cc1nc(C[N@H+](C)Cc2cc(F)ccc2N)cs1 ZINC000044595064 175215272 /nfs/dbraw/zinc/21/52/72/175215272.db2.gz MADVBNQJNYVPSM-UHFFFAOYSA-N 1 2 265.357 2.805 10 0 CFAELO CCC[NH2+]CC(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000044626943 175221488 /nfs/dbraw/zinc/22/14/88/175221488.db2.gz DTLQFKFPAPFVCF-MCIONIFRSA-N 1 2 255.402 2.990 10 0 CFAELO NC(=S)c1ccc[nH+]c1N[C@H]1C[C@H]1c1ccccc1 ZINC000044660413 175226301 /nfs/dbraw/zinc/22/63/01/175226301.db2.gz GENWOJSMKDABGO-STQMWFEESA-N 1 2 269.373 2.684 10 0 CFAELO CCc1noc(COc2ccc3c(c2)CCCC3[NH3+])n1 ZINC000044732453 175241229 /nfs/dbraw/zinc/24/12/29/175241229.db2.gz RXWKVXDYMRRNQH-CYBMUJFWSA-N 1 2 273.336 2.547 10 0 CFAELO O=C1CCCc2cc(OCCCn3cc[nH+]c3)ccc21 ZINC000044745908 175242240 /nfs/dbraw/zinc/24/22/40/175242240.db2.gz BYFIFOFUTTXQAX-UHFFFAOYSA-N 1 2 270.332 2.871 10 0 CFAELO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747170 175242588 /nfs/dbraw/zinc/24/25/88/175242588.db2.gz NFXGJKPWZXLCCL-CVEARBPZSA-N 1 2 291.391 2.947 10 0 CFAELO Cc1nccc(CNc2ccc3[nH+]cccc3c2N)n1 ZINC000044987732 175285358 /nfs/dbraw/zinc/28/53/58/175285358.db2.gz GXAQPAGAYUZOBD-UHFFFAOYSA-N 1 2 265.320 2.528 10 0 CFAELO C[N@H+](CC(=O)c1cc(F)ccc1O)CC(C)(C)C ZINC000045084739 175303625 /nfs/dbraw/zinc/30/36/25/175303625.db2.gz SUKDOOMNOQKIBA-UHFFFAOYSA-N 1 2 253.317 2.692 10 0 CFAELO C[N@@H+](CC(=O)c1cc(F)ccc1O)CC(C)(C)C ZINC000045084739 175303627 /nfs/dbraw/zinc/30/36/27/175303627.db2.gz SUKDOOMNOQKIBA-UHFFFAOYSA-N 1 2 253.317 2.692 10 0 CFAELO c1cn(CCCCNc2nncc3ccccc32)c[nH+]1 ZINC000045108269 175308898 /nfs/dbraw/zinc/30/88/98/175308898.db2.gz MHSDSBUTIDFUHK-UHFFFAOYSA-N 1 2 267.336 2.719 10 0 CFAELO CC(C)CCOCCn1c(N)[nH+]c2c1cccc2F ZINC000045108588 175309025 /nfs/dbraw/zinc/30/90/25/175309025.db2.gz VWOXKUYNTVSBHA-UHFFFAOYSA-N 1 2 265.332 2.820 10 0 CFAELO CCCC[NH+](CCCC)C[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045232674 175336138 /nfs/dbraw/zinc/33/61/38/175336138.db2.gz VYHKUEOTBFEEGG-HNNXBMFYSA-N 1 2 272.433 2.730 10 0 CFAELO CC[NH2+][C@](C)(CN(CC)c1cccc(F)c1)C(=O)OCC ZINC000045275403 175346047 /nfs/dbraw/zinc/34/60/47/175346047.db2.gz GYAFFUOBZXPDSD-MRXNPFEDSA-N 1 2 296.386 2.583 10 0 CFAELO Cc1cc[nH+]cc1N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000071413319 176158585 /nfs/dbraw/zinc/15/85/85/176158585.db2.gz FYEAEDWZWXDCIJ-LBPRGKRZSA-N 1 2 290.388 2.967 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(c1ccc(F)cn1)C2 ZINC000336317539 276066305 /nfs/dbraw/zinc/06/63/05/276066305.db2.gz RFWWOMDNHDNTLU-UHFFFAOYSA-N 1 2 274.343 2.640 10 0 CFAELO CNc1nc(N2CC[C@@H](C)[C@H]2C)[nH+]cc1Br ZINC000133115133 277305255 /nfs/dbraw/zinc/30/52/55/277305255.db2.gz SRWXBMZMGJYUPP-HTQZYQBOSA-N 1 2 285.189 2.516 10 0 CFAELO COc1ccc(C[NH+]2[C@@H](C)COC[C@@H]2C)cc1Cl ZINC000178996070 277412440 /nfs/dbraw/zinc/41/24/40/277412440.db2.gz XQRTVNLQUFIQQO-QWRGUYRKSA-N 1 2 269.772 2.958 10 0 CFAELO C[C@H]1COC[C@H](C)[NH+]1Cc1cc(F)cc2cccnc21 ZINC000077365215 278461840 /nfs/dbraw/zinc/46/18/40/278461840.db2.gz OHZMFZDOMQMPRR-RYUDHWBXSA-N 1 2 274.339 2.983 10 0 CFAELO CC(C)[C@H](C)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106516393 280217806 /nfs/dbraw/zinc/21/78/06/280217806.db2.gz PTKPKGQHQWOUCK-NWDGAFQWSA-N 1 2 264.373 2.691 10 0 CFAELO CCCc1nnc(SCc2[nH+]ccn2CC)o1 ZINC000122130180 280625876 /nfs/dbraw/zinc/62/58/76/280625876.db2.gz HFVYJQAGZMKLCF-UHFFFAOYSA-N 1 2 252.343 2.531 10 0 CFAELO Cc1cc[nH+]c(N[C@H]2CCO[C@H]2C)c1Br ZINC000235352744 302279252 /nfs/dbraw/zinc/27/92/52/302279252.db2.gz RARSMQYVVGCCBD-IUCAKERBSA-N 1 2 271.158 2.742 10 0 CFAELO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)o1 ZINC000180653249 323787280 /nfs/dbraw/zinc/78/72/80/323787280.db2.gz COQYTWDQUUFHGT-VXGBXAGGSA-N 1 2 297.362 2.976 10 0 CFAELO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC000396134674 333189197 /nfs/dbraw/zinc/18/91/97/333189197.db2.gz CAQJOUSZGCPEKM-NSHDSACASA-N 1 2 290.354 2.727 10 0 CFAELO CC[NH2+][C@@](C)(CCOc1cccc(CC)c1)C(=O)OC ZINC000045504308 520134588 /nfs/dbraw/zinc/13/45/88/520134588.db2.gz LNQHDHAFDUMADZ-INIZCTEOSA-N 1 2 279.380 2.559 10 0 CFAELO CCOC(=O)[C@H](C)[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000049371429 521214516 /nfs/dbraw/zinc/21/45/16/521214516.db2.gz YVHGNPQQOKJJDK-SWLSCSKDSA-N 1 2 261.365 2.987 10 0 CFAELO C(COCC1CC1)[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000173707245 518393326 /nfs/dbraw/zinc/39/33/26/518393326.db2.gz XRRDJSREFROUAV-UHFFFAOYSA-N 1 2 291.395 2.733 10 0 CFAELO CC(C)(C(=O)Cc1cc[nH+]c(N)c1)c1ccc(F)cc1 ZINC000069395522 518507158 /nfs/dbraw/zinc/50/71/58/518507158.db2.gz LZSQMNGPHLFXDI-UHFFFAOYSA-N 1 2 272.323 2.892 10 0 CFAELO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H]2c2ccco2)nn1 ZINC000191351063 519155434 /nfs/dbraw/zinc/15/54/34/519155434.db2.gz VSQDKIXGUKDPDV-CYBMUJFWSA-N 1 2 274.368 2.963 10 0 CFAELO CC(C)(C)n1cc(C[N@H+]2CCC[C@@H]2c2ccco2)nn1 ZINC000191351063 519155438 /nfs/dbraw/zinc/15/54/38/519155438.db2.gz VSQDKIXGUKDPDV-CYBMUJFWSA-N 1 2 274.368 2.963 10 0 CFAELO CC(C)OC(=O)CC[N@@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000173601319 519745655 /nfs/dbraw/zinc/74/56/55/519745655.db2.gz VQSUQUZPXVDZLS-GFCCVEGCSA-N 1 2 295.383 2.672 10 0 CFAELO CC(C)OC(=O)CC[N@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000173601319 519745657 /nfs/dbraw/zinc/74/56/57/519745657.db2.gz VQSUQUZPXVDZLS-GFCCVEGCSA-N 1 2 295.383 2.672 10 0 CFAELO CC(C)[C@H](C[NH+](C)C)n1c(=O)c2ccsc2[nH]c1=S ZINC000049222284 519815012 /nfs/dbraw/zinc/81/50/12/519815012.db2.gz YNGMUDQUMHFIKL-JTQLQIEISA-N 1 2 297.449 2.879 10 0 CFAELO CCCCC[N@H+](Cc1nnsc1NC)C(C)C ZINC000050816635 520178404 /nfs/dbraw/zinc/17/84/04/520178404.db2.gz QBVPTFMVJAMPBE-UHFFFAOYSA-N 1 2 256.419 2.980 10 0 CFAELO CCCCC[N@@H+](Cc1nnsc1NC)C(C)C ZINC000050816635 520178412 /nfs/dbraw/zinc/17/84/12/520178412.db2.gz QBVPTFMVJAMPBE-UHFFFAOYSA-N 1 2 256.419 2.980 10 0 CFAELO CCNc1snnc1C[N@H+](CC)C1CCCC1 ZINC000050813557 520384293 /nfs/dbraw/zinc/38/42/93/520384293.db2.gz GCGCMIDLGZVPHK-UHFFFAOYSA-N 1 2 254.403 2.734 10 0 CFAELO CCNc1snnc1C[N@@H+](CC)C1CCCC1 ZINC000050813557 520384303 /nfs/dbraw/zinc/38/43/03/520384303.db2.gz GCGCMIDLGZVPHK-UHFFFAOYSA-N 1 2 254.403 2.734 10 0 CFAELO CCNc1snnc1C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000050814441 520386552 /nfs/dbraw/zinc/38/65/52/520386552.db2.gz RYJROOYWMWSCJX-UWVGGRQHSA-N 1 2 254.403 2.590 10 0 CFAELO CCNc1snnc1C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000050814441 520386562 /nfs/dbraw/zinc/38/65/62/520386562.db2.gz RYJROOYWMWSCJX-UWVGGRQHSA-N 1 2 254.403 2.590 10 0 CFAELO CCNc1snnc1Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000050829081 520390347 /nfs/dbraw/zinc/39/03/47/520390347.db2.gz SDAABVMECTVDBO-UHFFFAOYSA-N 1 2 287.392 2.985 10 0 CFAELO CCC[C@@H]([NH2+][C@@H](COC)C1CC1)C(=O)OC(C)(C)C ZINC000157467628 520788766 /nfs/dbraw/zinc/78/87/66/520788766.db2.gz QFHITXCNNYQJLG-OLZOCXBDSA-N 1 2 271.401 2.511 10 0 CFAELO CCOC(=O)[C@@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000049371063 521029483 /nfs/dbraw/zinc/02/94/83/521029483.db2.gz AKDSGTKYEDTBQE-YGRLFVJLSA-N 1 2 265.328 2.818 10 0 CFAELO CCOC(=O)[C@@](C)(CCSc1ccccn1)[NH2+]C(C)C ZINC000045581829 521148155 /nfs/dbraw/zinc/14/81/55/521148155.db2.gz FRKIHWNBFLEMOV-OAHLLOKOSA-N 1 2 296.436 2.884 10 0 CFAELO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195338422 521198915 /nfs/dbraw/zinc/19/89/15/521198915.db2.gz WXHVCMDYRFXHNP-RYUDHWBXSA-N 1 2 282.409 2.583 10 0 CFAELO CCOC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195338422 521198920 /nfs/dbraw/zinc/19/89/20/521198920.db2.gz WXHVCMDYRFXHNP-RYUDHWBXSA-N 1 2 282.409 2.583 10 0 CFAELO CC[N@H+](Cc1ccncc1)Cc1nc2sccc2c(N)n1 ZINC000050815596 521422448 /nfs/dbraw/zinc/42/24/48/521422448.db2.gz OUUUXFCJNWLPCE-UHFFFAOYSA-N 1 2 299.403 2.691 10 0 CFAELO CC[N@@H+](Cc1ccncc1)Cc1nc2sccc2c(N)n1 ZINC000050815596 521422457 /nfs/dbraw/zinc/42/24/57/521422457.db2.gz OUUUXFCJNWLPCE-UHFFFAOYSA-N 1 2 299.403 2.691 10 0 CFAELO CCN(Cc1cn2ccccc2[nH+]1)c1ccccc1N ZINC000050454106 521429531 /nfs/dbraw/zinc/42/95/31/521429531.db2.gz DKOZSGGHTMIVCV-UHFFFAOYSA-N 1 2 266.348 2.943 10 0 CFAELO COC(=O)c1cc(NCc2[nH]c[nH+]c2C)ccc1Cl ZINC000054794672 521893998 /nfs/dbraw/zinc/89/39/98/521893998.db2.gz OSTQUGGDMQFKOW-UHFFFAOYSA-N 1 2 279.727 2.770 10 0 CFAELO CCc1nc([C@@H]2C[N@H+](C[C@@H]3CCC[C@@H](C)C3)CCO2)n[nH]1 ZINC000245548203 522139974 /nfs/dbraw/zinc/13/99/74/522139974.db2.gz YHKDCLNEHSYSCC-MCIONIFRSA-N 1 2 292.427 2.567 10 0 CFAELO CCc1nc([C@@H]2C[N@@H+](C[C@@H]3CCC[C@@H](C)C3)CCO2)n[nH]1 ZINC000245548203 522139983 /nfs/dbraw/zinc/13/99/83/522139983.db2.gz YHKDCLNEHSYSCC-MCIONIFRSA-N 1 2 292.427 2.567 10 0 CFAELO CCc1nc(C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)no1 ZINC000195440970 522309541 /nfs/dbraw/zinc/30/95/41/522309541.db2.gz NQCJLPHDSCZXSI-NSHDSACASA-N 1 2 292.408 2.777 10 0 CFAELO CCc1nc(C[N@H+]2CCC[C@H](c3nc(C)cs3)C2)no1 ZINC000195440970 522309549 /nfs/dbraw/zinc/30/95/49/522309549.db2.gz NQCJLPHDSCZXSI-NSHDSACASA-N 1 2 292.408 2.777 10 0 CFAELO COc1cc(C[NH2+][C@H](C)c2ncc(C)o2)cc(OC)c1 ZINC000220911282 522486819 /nfs/dbraw/zinc/48/68/19/522486819.db2.gz OXYYZHBQXRMOCK-LLVKDONJSA-N 1 2 276.336 2.851 10 0 CFAELO CNc1ccc(CN2C(=O)CCc3cc(F)ccc32)c[nH+]1 ZINC000050829523 522606886 /nfs/dbraw/zinc/60/68/86/522606886.db2.gz QINBDKSVSVQTNU-UHFFFAOYSA-N 1 2 285.322 2.742 10 0 CFAELO CNc1nc(Cc2cccc(OC)c2)[nH+]c(C)c1C ZINC000050864134 522685478 /nfs/dbraw/zinc/68/54/78/522685478.db2.gz JPSKIIYBGGQMLA-UHFFFAOYSA-N 1 2 257.337 2.735 10 0 CFAELO CNc1[nH+]c2cc(OC)ccc2cc1COCCCOC ZINC000050830115 522688287 /nfs/dbraw/zinc/68/82/87/522688287.db2.gz QWUTVLWKXMTERW-UHFFFAOYSA-N 1 2 290.363 2.838 10 0 CFAELO CCc1nnc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)n1C ZINC000195096105 522731244 /nfs/dbraw/zinc/73/12/44/522731244.db2.gz SOMXYDJXLORQHO-CQSZACIVSA-N 1 2 288.370 2.854 10 0 CFAELO CCc1nnc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)n1C ZINC000195096105 522731255 /nfs/dbraw/zinc/73/12/55/522731255.db2.gz SOMXYDJXLORQHO-CQSZACIVSA-N 1 2 288.370 2.854 10 0 CFAELO CCn1c(C)nnc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000172027957 523153981 /nfs/dbraw/zinc/15/39/81/523153981.db2.gz UBGBHLAZGXWOKM-LBPRGKRZSA-N 1 2 260.341 2.537 10 0 CFAELO CCn1c(C)nnc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000172027957 523153986 /nfs/dbraw/zinc/15/39/86/523153986.db2.gz UBGBHLAZGXWOKM-LBPRGKRZSA-N 1 2 260.341 2.537 10 0 CFAELO CCn1cc[nH+]c1CN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195515553 523532188 /nfs/dbraw/zinc/53/21/88/523532188.db2.gz DLPDKGGBOSHMNE-GFCCVEGCSA-N 1 2 289.383 2.747 10 0 CFAELO COC(=O)[C@@H]([NH2+]C1CCCC1)c1ccc(F)cc1C ZINC000050580208 523624242 /nfs/dbraw/zinc/62/42/42/523624242.db2.gz VJPJGHFKEMVFPW-AWEZNQCLSA-N 1 2 265.328 2.880 10 0 CFAELO CCc1c(C)[nH+]c(-c2ccc3c(c2)OCCO3)nc1NC ZINC000050864807 523707541 /nfs/dbraw/zinc/70/75/41/523707541.db2.gz VKBRTUMHIKODTM-UHFFFAOYSA-N 1 2 285.347 2.827 10 0 CFAELO CCc1c(C)[nH+]c(-c2cc(C)c(O)c(C)c2)nc1N ZINC000050866494 523709068 /nfs/dbraw/zinc/70/90/68/523709068.db2.gz QEDGFPCJWIATMI-UHFFFAOYSA-N 1 2 257.337 2.919 10 0 CFAELO CCc1cc(NC)nc(-c2ccc3c(c2)CCN3C)[nH+]1 ZINC000050865123 523820192 /nfs/dbraw/zinc/82/01/92/523820192.db2.gz HZQVTPIFQSEFAZ-UHFFFAOYSA-N 1 2 268.364 2.740 10 0 CFAELO COC(=O)[C@H](CCSc1ccccc1)[NH2+]C(C)C ZINC000062597930 523901473 /nfs/dbraw/zinc/90/14/73/523901473.db2.gz FBLZQSSQEHOUEC-ZDUSSCGKSA-N 1 2 267.394 2.708 10 0 CFAELO CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2cccs2)n1 ZINC000182546667 523922796 /nfs/dbraw/zinc/92/27/96/523922796.db2.gz FWZRCXLWPHBHPQ-DTWKUNHWSA-N 1 2 267.354 2.689 10 0 CFAELO C[C@H]1CCC[C@H](N(C)c2cc[nH+]c(C(N)=S)c2)C1 ZINC000061812834 524201572 /nfs/dbraw/zinc/20/15/72/524201572.db2.gz NVPBOFVEIMWYBA-QWRGUYRKSA-N 1 2 263.410 2.731 10 0 CFAELO COc1ccc(Nc2cc[nH+]c(C(N)=S)c2)cc1C ZINC000061812967 524714859 /nfs/dbraw/zinc/71/48/59/524714859.db2.gz XPBPSGMOTTWJRQ-UHFFFAOYSA-N 1 2 273.361 2.776 10 0 CFAELO C[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177760059 524722500 /nfs/dbraw/zinc/72/25/00/524722500.db2.gz DNPNFLDFUBOGOG-NVXWUHKLSA-N 1 2 297.402 2.753 10 0 CFAELO C[C@@H](Cn1cc[nH+]c1)Nc1ccc2ncccc2c1N ZINC000049234802 524966189 /nfs/dbraw/zinc/96/61/89/524966189.db2.gz WIQNOLNQJQLENR-NSHDSACASA-N 1 2 267.336 2.514 10 0 CFAELO Cc1ccccc1C1CC[NH+](Cc2nnnn2C(C)C)CC1 ZINC000170953916 525092850 /nfs/dbraw/zinc/09/28/50/525092850.db2.gz WEGWKENYZUWRPO-UHFFFAOYSA-N 1 2 299.422 2.942 10 0 CFAELO C[C@H]1[C@H](Nc2cc[nH+]c(C(N)=S)c2)CCC[C@@H]1C ZINC000061812131 525111035 /nfs/dbraw/zinc/11/10/35/525111035.db2.gz MASFNOMWFUVTKH-HOSYDEDBSA-N 1 2 263.410 2.952 10 0 CFAELO CSCCC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173911222 525377044 /nfs/dbraw/zinc/37/70/44/525377044.db2.gz PCFGANCHBCVDFG-GFCCVEGCSA-N 1 2 289.404 2.803 10 0 CFAELO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2)o1 ZINC000230644250 526123386 /nfs/dbraw/zinc/12/33/86/526123386.db2.gz DCSDAAQHKOZZMQ-SNVBAGLBSA-N 1 2 293.754 2.926 10 0 CFAELO Cc1ccc2nc(NC(=O)c3cccc(NN)[nH+]3)sc2c1 ZINC000051089839 526253964 /nfs/dbraw/zinc/25/39/64/526253964.db2.gz MHRKZMLFTDTMGG-UHFFFAOYSA-N 1 2 299.359 2.538 10 0 CFAELO Cc1ccc(C(N)=S)c(NCc2ccc(F)cc2F)[nH+]1 ZINC000051017932 526254567 /nfs/dbraw/zinc/25/45/67/526254567.db2.gz ZMNDNKQSSLIGMU-UHFFFAOYSA-N 1 2 293.342 2.915 10 0 CFAELO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCS[C@@H](C)C2)sc1C ZINC000246108607 526986003 /nfs/dbraw/zinc/98/60/03/526986003.db2.gz JBTDTSVXGVUUEF-WCBMZHEXSA-N 1 2 299.465 2.524 10 0 CFAELO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCS[C@@H](C)C2)sc1C ZINC000246108607 526986007 /nfs/dbraw/zinc/98/60/07/526986007.db2.gz JBTDTSVXGVUUEF-WCBMZHEXSA-N 1 2 299.465 2.524 10 0 CFAELO Cn1c(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)nnc1C1CC1 ZINC000246119325 527057222 /nfs/dbraw/zinc/05/72/22/527057222.db2.gz LAOKSCIKBSTCJM-OLZOCXBDSA-N 1 2 292.452 2.553 10 0 CFAELO 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/nfs/dbraw/zinc/38/89/69/136388969.db2.gz XAXWFMGSLWLEDS-OAHLLOKOSA-N 1 2 298.390 2.612 10 0 CFAELO OC[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1 ZINC000131529304 136388970 /nfs/dbraw/zinc/38/89/70/136388970.db2.gz XAXWFMGSLWLEDS-OAHLLOKOSA-N 1 2 298.390 2.612 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1CCCCC1)C2 ZINC000220607957 539367989 /nfs/dbraw/zinc/36/79/89/539367989.db2.gz MSLQYAMOXCWKKQ-CYBMUJFWSA-N 1 2 275.396 2.520 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1CCCCC1)CC2 ZINC000220607957 539367994 /nfs/dbraw/zinc/36/79/94/539367994.db2.gz MSLQYAMOXCWKKQ-CYBMUJFWSA-N 1 2 275.396 2.520 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(C)c(F)c1)C2 ZINC000220601136 539365535 /nfs/dbraw/zinc/36/55/35/539365535.db2.gz WMVQWTBCYFXYPM-LLVKDONJSA-N 1 2 287.338 2.909 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc(C)c(F)c1)CC2 ZINC000220601136 539365537 /nfs/dbraw/zinc/36/55/37/539365537.db2.gz WMVQWTBCYFXYPM-LLVKDONJSA-N 1 2 287.338 2.909 10 0 CFAELO Cc1nc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)oc1C ZINC000114484057 232193489 /nfs/dbraw/zinc/19/34/89/232193489.db2.gz NCWZFNKTVBPUEJ-CYBMUJFWSA-N 1 2 260.341 2.742 10 0 CFAELO Cc1nc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)oc1C ZINC000114484057 232193491 /nfs/dbraw/zinc/19/34/91/232193491.db2.gz NCWZFNKTVBPUEJ-CYBMUJFWSA-N 1 2 260.341 2.742 10 0 CFAELO CCC(C)(C)c1ccc(O[C@H]2C[NH2+][C@H](C(=O)OC)C2)cc1 ZINC000098088904 185685472 /nfs/dbraw/zinc/68/54/72/185685472.db2.gz XEUMNRUOYXVTCX-CABCVRRESA-N 1 2 291.391 2.657 10 0 CFAELO C[C@@H]([NH2+]Cc1ccc(CO)o1)c1cc(F)ccc1F ZINC000081554198 347426678 /nfs/dbraw/zinc/42/66/78/347426678.db2.gz ORAVLFYFISDSOL-SECBINFHSA-N 1 2 267.275 2.901 10 0 CFAELO Cc1cc(N[C@H](CO)c2ccc(Cl)cc2)nc[nH+]1 ZINC000092961107 347654932 /nfs/dbraw/zinc/65/49/32/347654932.db2.gz XFIOZLNGQDLDIG-GFCCVEGCSA-N 1 2 263.728 2.584 10 0 CFAELO O=C1Nc2ccccc2[C@H]1CCNc1cc[nH+]c(C2CC2)n1 ZINC000110115112 347748091 /nfs/dbraw/zinc/74/80/91/347748091.db2.gz SCGKHPJHNICDFE-CYBMUJFWSA-N 1 2 294.358 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Fc1ccc(Br)cc1OCc1[nH]cc[nH+]1 ZINC000307409804 348399228 /nfs/dbraw/zinc/39/92/28/348399228.db2.gz NSYDFPZUZLHDJP-UHFFFAOYSA-N 1 2 271.089 2.890 10 0 CFAELO Cc1ccc(NC(=O)Cc2cccc3[nH+]ccn32)cc1 ZINC000584605302 348686908 /nfs/dbraw/zinc/68/69/08/348686908.db2.gz MEJPHONTGYPQBP-UHFFFAOYSA-N 1 2 265.316 2.824 10 0 CFAELO O=C(Cc1cccc2[nH+]ccn21)Nc1ccc(F)cc1 ZINC000584605140 348686956 /nfs/dbraw/zinc/68/69/56/348686956.db2.gz FMWMJRRNRLPUTE-UHFFFAOYSA-N 1 2 269.279 2.655 10 0 CFAELO Cc1[nH+]cc(N)cc1-c1cccc(C2(C)COC2)c1 ZINC000584633507 348696443 /nfs/dbraw/zinc/69/64/43/348696443.db2.gz OHTBVPWADFYCIC-UHFFFAOYSA-N 1 2 254.333 2.927 10 0 CFAELO Cc1nnc([C@H](C)Nc2[nH+]c3ccccc3n2C)s1 ZINC000273480489 192167946 /nfs/dbraw/zinc/16/79/46/192167946.db2.gz KCZAEHIGUGIYDD-QMMMGPOBSA-N 1 2 273.365 2.906 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc(F)c1)C2 ZINC000220590852 539753221 /nfs/dbraw/zinc/75/32/21/539753221.db2.gz MSGYYRZFCSWZCZ-SNVBAGLBSA-N 1 2 273.311 2.601 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc(F)c1)CC2 ZINC000220590852 539753225 /nfs/dbraw/zinc/75/32/25/539753225.db2.gz MSGYYRZFCSWZCZ-SNVBAGLBSA-N 1 2 273.311 2.601 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccccc1C)C2 ZINC000220589650 539753477 /nfs/dbraw/zinc/75/34/77/539753477.db2.gz NNUDUJCUYYNMFH-GFCCVEGCSA-N 1 2 269.348 2.770 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccccc1C)CC2 ZINC000220589650 539753481 /nfs/dbraw/zinc/75/34/81/539753481.db2.gz NNUDUJCUYYNMFH-GFCCVEGCSA-N 1 2 269.348 2.770 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCCc1ccccc1)C2 ZINC000220587283 539752986 /nfs/dbraw/zinc/75/29/86/539752986.db2.gz SBHZJLWQLDGSIY-HNNXBMFYSA-N 1 2 297.402 2.572 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCCc1ccccc1)CC2 ZINC000220587283 539752991 /nfs/dbraw/zinc/75/29/91/539752991.db2.gz SBHZJLWQLDGSIY-HNNXBMFYSA-N 1 2 297.402 2.572 10 0 CFAELO COC(=O)[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccccc1 ZINC000090976647 180079087 /nfs/dbraw/zinc/07/90/87/180079087.db2.gz 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/nfs/dbraw/zinc/40/95/70/352409570.db2.gz JXLFKJBZGGAISY-OAHLLOKOSA-N 1 2 297.358 2.768 10 0 CFAELO CCOC(=O)N1CCc2ccccc2[C@H]1c1ccc[nH+]c1N ZINC000616679096 352410430 /nfs/dbraw/zinc/41/04/30/352410430.db2.gz JXLFKJBZGGAISY-HNNXBMFYSA-N 1 2 297.358 2.768 10 0 CFAELO CCOC(=O)N1c2ccccc2NC[C@H]1c1cc[nH+]c(N)c1 ZINC000616682625 352410977 /nfs/dbraw/zinc/41/09/77/352410977.db2.gz JGCUQBCFALHPNZ-AWEZNQCLSA-N 1 2 298.346 2.624 10 0 CFAELO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)c1ccccc1F ZINC000227365666 539917629 /nfs/dbraw/zinc/91/76/29/539917629.db2.gz IBGZMIRVBUKXIT-GUYCJALGSA-N 1 2 291.366 2.635 10 0 CFAELO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)c1ccccc1F ZINC000227365666 539917632 /nfs/dbraw/zinc/91/76/32/539917632.db2.gz IBGZMIRVBUKXIT-GUYCJALGSA-N 1 2 291.366 2.635 10 0 CFAELO Cc1c(N)c[nH+]cc1C=C1CN(C(=O)OC(C)(C)C)C1 ZINC000675056033 540640450 /nfs/dbraw/zinc/64/04/50/540640450.db2.gz ISAPCJJTRCIOQG-UHFFFAOYSA-N 1 2 275.352 2.606 10 0 CFAELO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(F)cc1F ZINC000176683806 189004640 /nfs/dbraw/zinc/00/46/40/189004640.db2.gz LWPMSUMNLBGLEQ-TVQRCGJNSA-N 1 2 278.306 2.742 10 0 CFAELO CC(C)n1cc[nH+]c1C[S@@](=O)c1ccccc1F ZINC000177081022 189027305 /nfs/dbraw/zinc/02/73/05/189027305.db2.gz CGSPOPAUHYOOSK-GOSISDBHSA-N 1 2 266.341 2.911 10 0 CFAELO CC(C)CC[C@H](C)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177341806 189044571 /nfs/dbraw/zinc/04/45/71/189044571.db2.gz QIWYBKFGMJGZJA-LSDHHAIUSA-N 1 2 292.427 2.882 10 0 CFAELO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000177911753 189079324 /nfs/dbraw/zinc/07/93/24/189079324.db2.gz HIONSTNEFROSLS-GFCCVEGCSA-N 1 2 269.348 2.610 10 0 CFAELO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000177911753 189079325 /nfs/dbraw/zinc/07/93/25/189079325.db2.gz HIONSTNEFROSLS-GFCCVEGCSA-N 1 2 269.348 2.610 10 0 CFAELO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(Cl)nc1 ZINC000179137408 189172439 /nfs/dbraw/zinc/17/24/39/189172439.db2.gz TVIRFTRMPIXUJT-ONGXEEELSA-N 1 2 277.759 2.512 10 0 CFAELO COCc1cccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000179227070 189178680 /nfs/dbraw/zinc/17/86/80/189178680.db2.gz PVDNCJPUFJJGRG-ZDUSSCGKSA-N 1 2 293.407 2.995 10 0 CFAELO COCc1cccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000179227070 189178681 /nfs/dbraw/zinc/17/86/81/189178681.db2.gz PVDNCJPUFJJGRG-ZDUSSCGKSA-N 1 2 293.407 2.995 10 0 CFAELO CCc1nnc(C[NH2+]C2(c3cccc(Cl)c3)CC2)n1C ZINC000179666906 189211902 /nfs/dbraw/zinc/21/19/02/189211902.db2.gz PIJYYTLWQOVFLZ-UHFFFAOYSA-N 1 2 290.798 2.810 10 0 CFAELO CCc1ccc([C@H](C)[NH2+]Cc2nc(COC)no2)cc1 ZINC000180234637 189245138 /nfs/dbraw/zinc/24/51/38/189245138.db2.gz UVVNYWXUBUOZAM-NSHDSACASA-N 1 2 275.352 2.629 10 0 CFAELO CCS[C@H]1CC[C@]1(O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000301490081 201027902 /nfs/dbraw/zinc/02/79/02/201027902.db2.gz LYPOJCZVPIOZBL-WFASDCNBSA-N 1 2 295.452 2.967 10 0 CFAELO OC1(CNc2cc(C(F)(F)F)cc[nH+]2)CCSCC1 ZINC000301529897 201050271 /nfs/dbraw/zinc/05/02/71/201050271.db2.gz JJEFYYZLPHKTFF-UHFFFAOYSA-N 1 2 292.326 2.770 10 0 CFAELO COCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)n1 ZINC000183008848 189342884 /nfs/dbraw/zinc/34/28/84/189342884.db2.gz DQPBMLHACUZCQP-RKDXNWHRSA-N 1 2 297.305 2.906 10 0 CFAELO CC(=O)Nc1nc(C[NH2+][C@H](C)c2ccc(C)o2)cs1 ZINC000183083336 189345553 /nfs/dbraw/zinc/34/55/53/189345553.db2.gz RULCOVQPGOBXHU-SECBINFHSA-N 1 2 279.365 2.854 10 0 CFAELO C[C@@H](Nc1cccc[nH+]1)c1cn(-c2ccccc2)nn1 ZINC000301669676 201125885 /nfs/dbraw/zinc/12/58/85/201125885.db2.gz PVOZEFNZKPIVHO-GFCCVEGCSA-N 1 2 265.320 2.835 10 0 CFAELO CC[C@@H](Nc1nc(C)[nH+]c2c1CCCC2)c1noc(C)n1 ZINC000302115733 201347621 /nfs/dbraw/zinc/34/76/21/201347621.db2.gz VXIJUTSWXHEAFZ-GFCCVEGCSA-N 1 2 287.367 2.918 10 0 CFAELO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncn(C)n2)s1 ZINC000275733455 193116623 /nfs/dbraw/zinc/11/66/23/193116623.db2.gz PLOAXFZLQNXIHC-ZJUUUORDSA-N 1 2 264.398 2.851 10 0 CFAELO c1cc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)no1 ZINC000275925601 193165791 /nfs/dbraw/zinc/16/57/91/193165791.db2.gz KFJXWEBXEWXSSF-CQSZACIVSA-N 1 2 272.352 2.614 10 0 CFAELO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1 ZINC000016043862 372098508 /nfs/dbraw/zinc/09/85/08/372098508.db2.gz YIBMBECPVLEYOD-UHFFFAOYSA-N 1 2 265.316 2.983 10 0 CFAELO Cc1ccc(-c2cc(O)c3[nH]c(=O)ccc3c2)c(C)[nH+]1 ZINC000026178531 372314742 /nfs/dbraw/zinc/31/47/42/372314742.db2.gz FPCWTFOXEZJKFF-UHFFFAOYSA-N 1 2 266.300 2.913 10 0 CFAELO C[C@@H]([NH2+]CC(=O)N(C)C)c1c(Cl)ccc(F)c1Cl ZINC000035791431 372552223 /nfs/dbraw/zinc/55/22/23/372552223.db2.gz HLVXBMGLWCLKCZ-SSDOTTSWSA-N 1 2 293.169 2.871 10 0 CFAELO COc1ccc([C@H]([NH3+])C(F)(F)C(F)(F)F)cc1 ZINC000037034521 372641791 /nfs/dbraw/zinc/64/17/91/372641791.db2.gz RZJPCMLZXWWMEL-QMMMGPOBSA-N 1 2 255.186 2.893 10 0 CFAELO CC(C)[C@@H](C)Cc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000333298052 205195219 /nfs/dbraw/zinc/19/52/19/205195219.db2.gz BKBRBECHBHUENW-BFHYXJOUSA-N 1 2 293.411 2.830 10 0 CFAELO CC(C)[C@@H](C)Cc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000333298052 205195221 /nfs/dbraw/zinc/19/52/21/205195221.db2.gz BKBRBECHBHUENW-BFHYXJOUSA-N 1 2 293.411 2.830 10 0 CFAELO Cn1c(Cl)cnc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000049856547 373323841 /nfs/dbraw/zinc/32/38/41/373323841.db2.gz MRIBZTJWOSHVLI-LLVKDONJSA-N 1 2 277.755 2.687 10 0 CFAELO O=C(Nc1ccc(Cl)cc1)N1CCn2cc[nH+]c2C1 ZINC000074902454 220206301 /nfs/dbraw/zinc/20/63/01/220206301.db2.gz BMGIUNFOEIDUDU-UHFFFAOYSA-N 1 2 276.727 2.584 10 0 CFAELO CC(C)(C)OC(=O)NCCc1ccc2c([nH+]1)NCCC2 ZINC000066055272 373909825 /nfs/dbraw/zinc/90/98/25/373909825.db2.gz MPYXAMQUOHDCBL-UHFFFAOYSA-N 1 2 277.368 2.507 10 0 CFAELO c1nc2c([nH]1)[C@@H](c1csc(-c3ccccc3)n1)[NH2+]CC2 ZINC000067855534 374011582 /nfs/dbraw/zinc/01/15/82/374011582.db2.gz RCZUPQPWFSNAQW-CQSZACIVSA-N 1 2 282.372 2.768 10 0 CFAELO Cc1cccn2c(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)cnc12 ZINC000091979118 375074606 /nfs/dbraw/zinc/07/46/06/375074606.db2.gz YLHVUZSZVMYQPM-HOTGVXAUSA-N 1 2 285.391 2.786 10 0 CFAELO Cc1cccn2c(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)cnc12 ZINC000091979118 375074613 /nfs/dbraw/zinc/07/46/13/375074613.db2.gz YLHVUZSZVMYQPM-HOTGVXAUSA-N 1 2 285.391 2.786 10 0 CFAELO Cc1cccn2c(CN3CCO[C@H]4CCCC[C@@H]43)c[nH+]c12 ZINC000091979118 375074619 /nfs/dbraw/zinc/07/46/19/375074619.db2.gz YLHVUZSZVMYQPM-HOTGVXAUSA-N 1 2 285.391 2.786 10 0 CFAELO Cc1ccc([C@H](C)[NH2+]Cc2csnn2)cc1F ZINC000094952227 375396965 /nfs/dbraw/zinc/39/69/65/375396965.db2.gz MKCFCPLLSCPWQV-VIFPVBQESA-N 1 2 251.330 2.836 10 0 CFAELO OC[C@@H]1C[N@H+](Cc2sc3ccccc3c2Cl)CCO1 ZINC000094267850 375349020 /nfs/dbraw/zinc/34/90/20/375349020.db2.gz UVHBVQPSOBDFFN-JTQLQIEISA-N 1 2 297.807 2.748 10 0 CFAELO OC[C@@H]1C[N@@H+](Cc2sc3ccccc3c2Cl)CCO1 ZINC000094267850 375349027 /nfs/dbraw/zinc/34/90/27/375349027.db2.gz UVHBVQPSOBDFFN-JTQLQIEISA-N 1 2 297.807 2.748 10 0 CFAELO CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccc[nH+]1 ZINC000095075286 375406337 /nfs/dbraw/zinc/40/63/37/375406337.db2.gz BSKGCRBWMBEMIK-ZDUSSCGKSA-N 1 2 291.395 2.917 10 0 CFAELO Cc1ccc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)[nH+]c1 ZINC000095090843 375411254 /nfs/dbraw/zinc/41/12/54/375411254.db2.gz YPOBNTXZNOAETO-CYBMUJFWSA-N 1 2 291.395 2.836 10 0 CFAELO Nc1ccc2[nH+]cn(-c3cccc(Br)n3)c2c1 ZINC000098178909 375608868 /nfs/dbraw/zinc/60/88/68/375608868.db2.gz GPBCDYLBFLVAFZ-UHFFFAOYSA-N 1 2 289.136 2.765 10 0 CFAELO CCn1c(C)nnc1C[NH2+]C(C)(C)c1ccccc1OC ZINC000103483689 375750136 /nfs/dbraw/zinc/75/01/36/375750136.db2.gz CZJBWIKUAJZIOF-UHFFFAOYSA-N 1 2 288.395 2.640 10 0 CFAELO CCCCCCNC(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114484657 376071968 /nfs/dbraw/zinc/07/19/68/376071968.db2.gz AAUIKCTZGVKNFB-HNNXBMFYSA-N 1 2 292.427 2.633 10 0 CFAELO CCCCCCNC(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114484657 376071979 /nfs/dbraw/zinc/07/19/79/376071979.db2.gz AAUIKCTZGVKNFB-HNNXBMFYSA-N 1 2 292.427 2.633 10 0 CFAELO O=C(Cc1cn2ccccc2[nH+]1)N1CCC[C@H]1c1ccco1 ZINC000116041821 376158341 /nfs/dbraw/zinc/15/83/41/376158341.db2.gz RNBSDTNAYJHSGU-AWEZNQCLSA-N 1 2 295.342 2.834 10 0 CFAELO Cc1cc(N2CCC(c3cc[nH]n3)CC2)nc(C2CC2)[nH+]1 ZINC000116260603 376173228 /nfs/dbraw/zinc/17/32/28/376173228.db2.gz XERSWIFPAWVWAC-UHFFFAOYSA-N 1 2 283.379 2.770 10 0 CFAELO Cc1cccnc1[C@H]([NH2+]Cc1nnc(C2CC2)n1C)C(C)C ZINC000120929448 376723372 /nfs/dbraw/zinc/72/33/72/376723372.db2.gz UPKCNRGBDSAQNB-OAHLLOKOSA-N 1 2 299.422 2.883 10 0 CFAELO Cc1cnn([C@H]2CCCN(C(=O)Nc3cc[nH+]cc3C)C2)c1 ZINC000121417111 376828554 /nfs/dbraw/zinc/82/85/54/376828554.db2.gz CXPMGHAKSBBWCV-AWEZNQCLSA-N 1 2 299.378 2.764 10 0 CFAELO CCc1ccc([C@H]2CCCC[N@@H+]2Cc2nccc(N)n2)o1 ZINC000135098399 378081087 /nfs/dbraw/zinc/08/10/87/378081087.db2.gz FAZRIEKSDJLTSE-CYBMUJFWSA-N 1 2 286.379 2.941 10 0 CFAELO CCc1ccc([C@H]2CCCC[N@H+]2Cc2nccc(N)n2)o1 ZINC000135098399 378081094 /nfs/dbraw/zinc/08/10/94/378081094.db2.gz FAZRIEKSDJLTSE-CYBMUJFWSA-N 1 2 286.379 2.941 10 0 CFAELO CC(=O)Nc1nc(C)c(-c2cccc(-n3cc[nH+]c3)n2)s1 ZINC000145982214 378250707 /nfs/dbraw/zinc/25/07/07/378250707.db2.gz WFSBMIADMQHMKM-UHFFFAOYSA-N 1 2 299.359 2.658 10 0 CFAELO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000155009269 378608340 /nfs/dbraw/zinc/60/83/40/378608340.db2.gz GVJQTXVVNLCIPM-CVEARBPZSA-N 1 2 289.423 2.948 10 0 CFAELO C[C@@H]1CCCN(c2cc(NC3CC=CC3)[nH+]cn2)C1 ZINC000163428686 378970894 /nfs/dbraw/zinc/97/08/94/378970894.db2.gz GANOUCDXZANPAU-GFCCVEGCSA-N 1 2 258.369 2.843 10 0 CFAELO C[C@@H]1CCCN(c2cc(NC3CC=CC3)nc[nH+]2)C1 ZINC000163428686 378970899 /nfs/dbraw/zinc/97/08/99/378970899.db2.gz GANOUCDXZANPAU-GFCCVEGCSA-N 1 2 258.369 2.843 10 0 CFAELO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000164708350 379023986 /nfs/dbraw/zinc/02/39/86/379023986.db2.gz FFVACKVMIYWULQ-OCCSQVGLSA-N 1 2 286.379 2.781 10 0 CFAELO C[C@H]1C[N@H+](Cc2noc(-c3ccccc3)n2)CCS1 ZINC000170901667 379189101 /nfs/dbraw/zinc/18/91/01/379189101.db2.gz OOOQHLLPNXBJES-NSHDSACASA-N 1 2 275.377 2.674 10 0 CFAELO C[C@H]1C[N@@H+](Cc2noc(-c3ccccc3)n2)CCS1 ZINC000170901667 379189107 /nfs/dbraw/zinc/18/91/07/379189107.db2.gz OOOQHLLPNXBJES-NSHDSACASA-N 1 2 275.377 2.674 10 0 CFAELO C[C@H]1C[N@H+](Cc2nc(-c3ccc(F)cc3)no2)CCS1 ZINC000171699058 379378307 /nfs/dbraw/zinc/37/83/07/379378307.db2.gz PDXFTDWOAVPWHU-JTQLQIEISA-N 1 2 293.367 2.813 10 0 CFAELO C[C@H]1C[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)CCS1 ZINC000171699058 379378316 /nfs/dbraw/zinc/37/83/16/379378316.db2.gz PDXFTDWOAVPWHU-JTQLQIEISA-N 1 2 293.367 2.813 10 0 CFAELO CC(C)n1ccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)n1 ZINC000172013879 379470120 /nfs/dbraw/zinc/47/01/20/379470120.db2.gz HPAJDJNJTJXCCU-HNNXBMFYSA-N 1 2 273.384 2.535 10 0 CFAELO CC(C)n1ccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)n1 ZINC000172013879 379470126 /nfs/dbraw/zinc/47/01/26/379470126.db2.gz HPAJDJNJTJXCCU-HNNXBMFYSA-N 1 2 273.384 2.535 10 0 CFAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccn(C(C)C)n3)C2)c1 ZINC000172014619 379470714 /nfs/dbraw/zinc/47/07/14/379470714.db2.gz UCGAFXXIYJUEIN-MRXNPFEDSA-N 1 2 287.411 2.806 10 0 CFAELO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccn(C(C)C)n3)C2)c1 ZINC000172014619 379470723 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381017728 /nfs/dbraw/zinc/01/77/28/381017728.db2.gz QEMJEORSNGUOQB-QMMMGPOBSA-N 1 2 251.330 2.836 10 0 CFAELO CCOC(C[N@@H+]1CCC[C@@H]1c1noc(C(C)C)n1)OCC ZINC000184959886 381499969 /nfs/dbraw/zinc/49/99/69/381499969.db2.gz RPFUBXZJZKRRML-GFCCVEGCSA-N 1 2 297.399 2.729 10 0 CFAELO CCOC(C[N@H+]1CCC[C@@H]1c1noc(C(C)C)n1)OCC ZINC000184959886 381499976 /nfs/dbraw/zinc/49/99/76/381499976.db2.gz RPFUBXZJZKRRML-GFCCVEGCSA-N 1 2 297.399 2.729 10 0 CFAELO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nc(N(C)C)no1 ZINC000185237585 381574822 /nfs/dbraw/zinc/57/48/22/381574822.db2.gz GYHIKXWWMPJJSN-SNVBAGLBSA-N 1 2 294.786 2.982 10 0 CFAELO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000185237585 381574826 /nfs/dbraw/zinc/57/48/26/381574826.db2.gz GYHIKXWWMPJJSN-SNVBAGLBSA-N 1 2 294.786 2.982 10 0 CFAELO c1nc(C[NH+]2CCC(Cc3ccccc3)CC2)no1 ZINC000299783528 382046947 /nfs/dbraw/zinc/04/69/47/382046947.db2.gz ZDYOAAHQIRTCMF-UHFFFAOYSA-N 1 2 257.337 2.524 10 0 CFAELO 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ZINC000037331950 173133471 /nfs/dbraw/zinc/13/34/71/173133471.db2.gz HSAQVYLHLCLKSF-QWRGUYRKSA-N 1 2 265.328 2.692 10 0 CFAELO CC[C@H](C(=O)c1ccccc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000037332457 173133887 /nfs/dbraw/zinc/13/38/87/173133887.db2.gz RPLWXJNUQUVCEK-UMVBOHGHSA-N 1 2 261.365 2.757 10 0 CFAELO CCC[C@H](C)[N@H+](C)CC(=O)c1cc(F)ccc1O ZINC000037339276 173140205 /nfs/dbraw/zinc/14/02/05/173140205.db2.gz AIZQRSVFFGWUOT-JTQLQIEISA-N 1 2 253.317 2.834 10 0 CFAELO CCC[C@H](C)[N@@H+](C)CC(=O)c1cc(F)ccc1O ZINC000037339276 173140207 /nfs/dbraw/zinc/14/02/07/173140207.db2.gz AIZQRSVFFGWUOT-JTQLQIEISA-N 1 2 253.317 2.834 10 0 CFAELO COc1ccc(-n2c(N)[nH+]c3c2cccc3F)cc1 ZINC000037421278 173198597 /nfs/dbraw/zinc/19/85/97/173198597.db2.gz XGOSJDTYIGFXAW-UHFFFAOYSA-N 1 2 257.268 2.755 10 0 CFAELO COC(=O)[C@@]1([NH2+]C(C)C)CCCCc2ccccc21 ZINC000037445828 173213069 /nfs/dbraw/zinc/21/30/69/173213069.db2.gz IPYPQTQCJUCOEH-MRXNPFEDSA-N 1 2 261.365 2.779 10 0 CFAELO CC[NH2+][C@@]1(C(=O)OCC)CCCCc2ccccc21 ZINC000037447219 173215090 /nfs/dbraw/zinc/21/50/90/173215090.db2.gz ZGOXUIUGQRRHCE-INIZCTEOSA-N 1 2 261.365 2.781 10 0 CFAELO CCC[NH2+][C@](CC)(C(=O)OCC)c1ccc(O)cc1 ZINC000037513469 173244907 /nfs/dbraw/zinc/24/49/07/173244907.db2.gz AVSAKQODIVGFTE-HNNXBMFYSA-N 1 2 265.353 2.560 10 0 CFAELO CC[C@H]1C[N@H+](Cc2ccc(N)cc2Br)CCO1 ZINC000037515958 173247554 /nfs/dbraw/zinc/24/75/54/173247554.db2.gz ROBRXGALNZSAQW-LBPRGKRZSA-N 1 2 299.212 2.642 10 0 CFAELO CC[C@H]1C[N@@H+](Cc2ccc(N)cc2Br)CCO1 ZINC000037515958 173247555 /nfs/dbraw/zinc/24/75/55/173247555.db2.gz ROBRXGALNZSAQW-LBPRGKRZSA-N 1 2 299.212 2.642 10 0 CFAELO Cc1nc(C[N@@H+]2CCc3c(N)cccc3C2)cs1 ZINC000038032528 174028612 /nfs/dbraw/zinc/02/86/12/174028612.db2.gz JOKGFQZZOQYEKL-UHFFFAOYSA-N 1 2 259.378 2.592 10 0 CFAELO Cc1nc(C[N@H+]2CCc3c(N)cccc3C2)cs1 ZINC000038032528 174028614 /nfs/dbraw/zinc/02/86/14/174028614.db2.gz JOKGFQZZOQYEKL-UHFFFAOYSA-N 1 2 259.378 2.592 10 0 CFAELO CCOC(=O)[C@@H]([NH2+][C@@H](C)CC)c1ccc(OC)cc1 ZINC000038067881 174080082 /nfs/dbraw/zinc/08/00/82/174080082.db2.gz WJCHNAJBGQORDT-FZMZJTMJSA-N 1 2 265.353 2.688 10 0 CFAELO CCCNC(=O)Cn1c(CCC)[nH+]c2ccccc21 ZINC000040295694 174224008 /nfs/dbraw/zinc/22/40/08/174224008.db2.gz IOAVDGJAAOWDKP-UHFFFAOYSA-N 1 2 259.353 2.515 10 0 CFAELO COC(=O)c1occc1C[NH2+][C@H](C)c1sc(C)nc1C ZINC000040518308 174308080 /nfs/dbraw/zinc/30/80/80/174308080.db2.gz IQHAYSQTEOKUMW-MRVPVSSYSA-N 1 2 294.376 2.990 10 0 CFAELO CO[C@H]1C[NH2+][C@@H](c2nc(C)c(-c3ccc(C)cc3)[nH]2)C1 ZINC000040637666 174361819 /nfs/dbraw/zinc/36/18/19/174361819.db2.gz HBBWMWVSSVVQLU-ZIAGYGMSSA-N 1 2 271.364 2.743 10 0 CFAELO CC(C)(C)Nc1nc[nH+]c(N2CCCCCC2)c1N ZINC000040680446 174374571 /nfs/dbraw/zinc/37/45/71/174374571.db2.gz ILFDSIMCOPYHEL-UHFFFAOYSA-N 1 2 263.389 2.650 10 0 CFAELO CNc1nc[nH+]c(Nc2ccc(Cl)cc2C)c1N ZINC000040703117 174378871 /nfs/dbraw/zinc/37/88/71/174378871.db2.gz SFUWWFRESLIZNL-UHFFFAOYSA-N 1 2 263.732 2.806 10 0 CFAELO CNc1[nH+]cnc(Nc2ccc(Cl)cc2C)c1N ZINC000040703117 174378873 /nfs/dbraw/zinc/37/88/73/174378873.db2.gz SFUWWFRESLIZNL-UHFFFAOYSA-N 1 2 263.732 2.806 10 0 CFAELO CNc1nc[nH+]c(Nc2cc(Cl)ccc2C)c1N ZINC000040704772 174378890 /nfs/dbraw/zinc/37/88/90/174378890.db2.gz AMWYVZHJEOOWKX-UHFFFAOYSA-N 1 2 263.732 2.806 10 0 CFAELO CNc1[nH+]cnc(Nc2cc(Cl)ccc2C)c1N ZINC000040704772 174378892 /nfs/dbraw/zinc/37/88/92/174378892.db2.gz AMWYVZHJEOOWKX-UHFFFAOYSA-N 1 2 263.732 2.806 10 0 CFAELO Cc1ccc(Nc2[nH+]cnc(NC(C)C)c2N)cc1 ZINC000040708177 174380009 /nfs/dbraw/zinc/38/00/09/174380009.db2.gz QNBANYHGMLMART-UHFFFAOYSA-N 1 2 257.341 2.931 10 0 CFAELO Cc1ccc(Nc2nc[nH+]c(NC(C)C)c2N)cc1 ZINC000040708177 174380010 /nfs/dbraw/zinc/38/00/10/174380010.db2.gz QNBANYHGMLMART-UHFFFAOYSA-N 1 2 257.341 2.931 10 0 CFAELO CCCNc1[nH+]cnc(Nc2ccc(Cl)cn2)c1N ZINC000040707754 174380383 /nfs/dbraw/zinc/38/03/83/174380383.db2.gz OLUOVLFUCWPTBQ-UHFFFAOYSA-N 1 2 278.747 2.673 10 0 CFAELO CCNc1[nH+]cnc(Nc2ccc(F)cc2F)c1N ZINC000040707524 174380452 /nfs/dbraw/zinc/38/04/52/174380452.db2.gz ALEATIYAIZEFBA-UHFFFAOYSA-N 1 2 265.267 2.512 10 0 CFAELO Cc1nc(C[NH2+]Cc2c(C)nc3sccn23)cs1 ZINC000041010561 174448978 /nfs/dbraw/zinc/44/89/78/174448978.db2.gz KZVUXZXNQGLYRN-UHFFFAOYSA-N 1 2 278.406 2.759 10 0 CFAELO Cc1ccc(C(N)=S)c(N[C@H](C)c2ccncc2)[nH+]1 ZINC000043396655 175036084 /nfs/dbraw/zinc/03/60/84/175036084.db2.gz NFDYRKSCWNJCIQ-SNVBAGLBSA-N 1 2 272.377 2.592 10 0 CFAELO Cc1ccc(C(N)=S)c(NCCc2ccccc2)[nH+]1 ZINC000043396404 175036416 /nfs/dbraw/zinc/03/64/16/175036416.db2.gz BQLRQHXUCWBHEC-UHFFFAOYSA-N 1 2 271.389 2.679 10 0 CFAELO CC[C@@H](Nc1[nH+]c(C)ccc1C(N)=S)C(C)C ZINC000043396854 175036477 /nfs/dbraw/zinc/03/64/77/175036477.db2.gz FLNBTEDBXZVUTP-LLVKDONJSA-N 1 2 251.399 2.871 10 0 CFAELO CCn1ccnc1[C@@H]([NH2+]C)c1ccc(Cl)cc1OC ZINC000043566197 175067126 /nfs/dbraw/zinc/06/71/26/175067126.db2.gz LQJGBKISMPLJSG-ZDUSSCGKSA-N 1 2 279.771 2.874 10 0 CFAELO COc1ccc(C(C)=O)cc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000044477817 175178756 /nfs/dbraw/zinc/17/87/56/175178756.db2.gz ATVOZOQDQSAUEY-GFCCVEGCSA-N 1 2 291.391 2.897 10 0 CFAELO COc1ccc(C(C)=O)cc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000044477817 175178758 /nfs/dbraw/zinc/17/87/58/175178758.db2.gz ATVOZOQDQSAUEY-GFCCVEGCSA-N 1 2 291.391 2.897 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H](C)c2cccc(F)c2)c1N ZINC000044591218 175212674 /nfs/dbraw/zinc/21/26/74/175212674.db2.gz UGQCBEBIFNJBGR-VIFPVBQESA-N 1 2 291.326 2.699 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H](C)c2ccccc2C)c1N ZINC000044591376 175213009 /nfs/dbraw/zinc/21/30/09/175213009.db2.gz MODGMKWQTWBFJB-NSHDSACASA-N 1 2 287.363 2.868 10 0 CFAELO Cc1nc(CN(C)Cc2[nH]c3ccc(N)cc3[nH+]2)cs1 ZINC000044595057 175215172 /nfs/dbraw/zinc/21/51/72/175215172.db2.gz NZIASMVJQJXXRR-UHFFFAOYSA-N 1 2 287.392 2.542 10 0 CFAELO NC(=S)c1cc[nH+]c(N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000044660432 175226177 /nfs/dbraw/zinc/22/61/77/175226177.db2.gz BNJVURKWVPMCHV-QWHCGFSZSA-N 1 2 269.373 2.684 10 0 CFAELO Cc1cc(C[NH2+]CC(=O)Nc2cc(Cl)ccc2C)no1 ZINC000044724760 175237165 /nfs/dbraw/zinc/23/71/65/175237165.db2.gz XFBCAKOFGDNCEA-UHFFFAOYSA-N 1 2 293.754 2.673 10 0 CFAELO O=c1c2ccsc2[nH]c(=S)n1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044727060 175238683 /nfs/dbraw/zinc/23/86/83/175238683.db2.gz ZUWSVPAWKVCPTP-SECBINFHSA-N 1 2 293.417 2.530 10 0 CFAELO O=c1c2ccsc2[nH]c(=S)n1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044727060 175238685 /nfs/dbraw/zinc/23/86/85/175238685.db2.gz ZUWSVPAWKVCPTP-SECBINFHSA-N 1 2 293.417 2.530 10 0 CFAELO Cc1cc(N)ccc1-c1[nH]c2cc3c(cc2[nH+]1)OCCO3 ZINC000044750275 175244825 /nfs/dbraw/zinc/24/48/25/175244825.db2.gz WGLJXGWCPWXGHU-UHFFFAOYSA-N 1 2 281.315 2.892 10 0 CFAELO Nc1cc(F)c(NCCCCn2cc[nH+]c2)c(F)c1 ZINC000045105745 175307792 /nfs/dbraw/zinc/30/77/92/175307792.db2.gz ANJAGYZTCOPANW-UHFFFAOYSA-N 1 2 266.295 2.636 10 0 CFAELO CC(C)c1[nH+]c2cc(C(=O)[O-])ccc2n1C[C@H](C)[NH+](C)C ZINC000045108976 175308852 /nfs/dbraw/zinc/30/88/52/175308852.db2.gz IEVIDNUZCZKBNF-NSHDSACASA-N 1 2 289.379 2.808 10 0 CFAELO CCCc1[nH+]c2cc(C(=O)[O-])ccc2n1C[C@H](C)[NH+](C)C ZINC000045108974 175308863 /nfs/dbraw/zinc/30/88/63/175308863.db2.gz HXSCRSLGRCXJKD-NSHDSACASA-N 1 2 289.379 2.637 10 0 CFAELO CCOC(=O)[C@](C)(CN(CC)c1ccccc1)[NH2+]C(C)C ZINC000045232090 175335553 /nfs/dbraw/zinc/33/55/53/175335553.db2.gz LHVRWVKSZDMQMV-KRWDZBQOSA-N 1 2 292.423 2.833 10 0 CFAELO CCN(C[C@@](C)([NH2+]C(C)C)C(=O)OC)c1cccc(C)c1 ZINC000045273190 175344002 /nfs/dbraw/zinc/34/40/02/175344002.db2.gz SCJYNHBDFDOQSM-QGZVFWFLSA-N 1 2 292.423 2.751 10 0 CFAELO CCCC(=O)Nc1cccc(-c2nc(C[NH+](C)C)no2)c1 ZINC000067789504 175791316 /nfs/dbraw/zinc/79/13/16/175791316.db2.gz CLXACEKXAHYYDU-UHFFFAOYSA-N 1 2 288.351 2.537 10 0 CFAELO CCCc1c[nH+]c(C)nc1NCc1cnn2ccccc12 ZINC000072172816 176333546 /nfs/dbraw/zinc/33/35/46/176333546.db2.gz WGFKSVJROKZHGH-UHFFFAOYSA-N 1 2 281.363 2.997 10 0 CFAELO CCc1cnc([C@@H](C)Nc2nc[nH+]c(N)c2Cl)s1 ZINC000234168910 260161690 /nfs/dbraw/zinc/16/16/90/260161690.db2.gz IRIRCMHZQMOHEZ-ZCFIWIBFSA-N 1 2 283.788 2.904 10 0 CFAELO CCc1cnc([C@@H](C)Nc2[nH+]cnc(N)c2Cl)s1 ZINC000234168910 260161691 /nfs/dbraw/zinc/16/16/91/260161691.db2.gz IRIRCMHZQMOHEZ-ZCFIWIBFSA-N 1 2 283.788 2.904 10 0 CFAELO CCn1cc[nH+]c1CSCc1nc(CC(C)C)no1 ZINC000083632629 260353796 /nfs/dbraw/zinc/35/37/96/260353796.db2.gz SBAREBBLAVXGRG-UHFFFAOYSA-N 1 2 280.397 2.918 10 0 CFAELO CCc1nnc(C[N@H+](C)[C@@H](C)c2cccs2)n1C ZINC000195084466 270249884 /nfs/dbraw/zinc/24/98/84/270249884.db2.gz YQSKDLJSOPZFPH-JTQLQIEISA-N 1 2 264.398 2.632 10 0 CFAELO CCc1nnc(C[N@@H+](C)[C@@H](C)c2cccs2)n1C ZINC000195084466 270249887 /nfs/dbraw/zinc/24/98/87/270249887.db2.gz YQSKDLJSOPZFPH-JTQLQIEISA-N 1 2 264.398 2.632 10 0 CFAELO O[C@@H]1CC[C@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)C[C@H]2C1 ZINC000398928601 270325254 /nfs/dbraw/zinc/32/52/54/270325254.db2.gz SCGHWXXRLYVHIP-HOSYDEDBSA-N 1 2 286.297 2.698 10 0 CFAELO CC1(C)C[C@H]([NH2+]Cc2csnn2)c2ccccc2O1 ZINC000182600179 278389134 /nfs/dbraw/zinc/38/91/34/278389134.db2.gz PMSIJYRNHJSCJF-LBPRGKRZSA-N 1 2 275.377 2.930 10 0 CFAELO O=C(Nc1cccc2c1CCCC2)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263075098 280035945 /nfs/dbraw/zinc/03/59/45/280035945.db2.gz WZMVJOAJOJHPKJ-ZDUSSCGKSA-N 1 2 280.318 2.501 10 0 CFAELO C[C@@H]1COCC[C@H]1[NH2+]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000195104810 288371761 /nfs/dbraw/zinc/37/17/61/288371761.db2.gz LHRGPYFBIGETGX-JKIFEVAISA-N 1 2 290.407 2.749 10 0 CFAELO Clc1cccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)n1 ZINC000227327235 294112073 /nfs/dbraw/zinc/11/20/73/294112073.db2.gz DYXULGBYKQMLJU-CHWSQXEVSA-N 1 2 266.772 2.878 10 0 CFAELO Clc1cccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)n1 ZINC000227327235 294112074 /nfs/dbraw/zinc/11/20/74/294112074.db2.gz DYXULGBYKQMLJU-CHWSQXEVSA-N 1 2 266.772 2.878 10 0 CFAELO COc1ccc(C[NH+]2[C@H](C)COC[C@H]2C)cc1Cl ZINC000178996077 295132617 /nfs/dbraw/zinc/13/26/17/295132617.db2.gz XQRTVNLQUFIQQO-GHMZBOCLSA-N 1 2 269.772 2.958 10 0 CFAELO COc1ccc(C[N@H+](C)Cc2nnc(C(C)C)n2C)cc1 ZINC000195014589 324099484 /nfs/dbraw/zinc/09/94/84/324099484.db2.gz ZLOGSCPPOOJXKF-UHFFFAOYSA-N 1 2 288.395 2.579 10 0 CFAELO COc1ccc(C[N@@H+](C)Cc2nnc(C(C)C)n2C)cc1 ZINC000195014589 324099487 /nfs/dbraw/zinc/09/94/87/324099487.db2.gz ZLOGSCPPOOJXKF-UHFFFAOYSA-N 1 2 288.395 2.579 10 0 CFAELO CCn1c(C)nnc1C[N@H+](C)CCCOc1ccccc1 ZINC000195072038 324101281 /nfs/dbraw/zinc/10/12/81/324101281.db2.gz XLDNJOKIMKTYHQ-UHFFFAOYSA-N 1 2 288.395 2.507 10 0 CFAELO CCn1c(C)nnc1C[N@@H+](C)CCCOc1ccccc1 ZINC000195072038 324101284 /nfs/dbraw/zinc/10/12/84/324101284.db2.gz XLDNJOKIMKTYHQ-UHFFFAOYSA-N 1 2 288.395 2.507 10 0 CFAELO CCOC(=O)[C@@H]([NH2+]CC1CC1)c1ccccc1CC ZINC000052204539 521081306 /nfs/dbraw/zinc/08/13/06/521081306.db2.gz OZMRXNMEQKSAFX-HNNXBMFYSA-N 1 2 261.365 2.853 10 0 CFAELO CCN1CCC[C@H]([NH2+]Cc2cccc(O)c2Cl)C1 ZINC000328283966 521648496 /nfs/dbraw/zinc/64/84/96/521648496.db2.gz ZIPIBRNSFVCMGC-LBPRGKRZSA-N 1 2 268.788 2.620 10 0 CFAELO CC(C)=CC[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000195388534 519428499 /nfs/dbraw/zinc/42/84/99/519428499.db2.gz UIXBBGLKROPIKQ-GFCCVEGCSA-N 1 2 252.383 2.791 10 0 CFAELO CC(C)=CC[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000195388534 519428506 /nfs/dbraw/zinc/42/85/06/519428506.db2.gz UIXBBGLKROPIKQ-GFCCVEGCSA-N 1 2 252.383 2.791 10 0 CFAELO CCC1CCC([NH2+]c2ccc(N)c(C(N)=O)c2)CC1 ZINC000049125023 519857272 /nfs/dbraw/zinc/85/72/72/519857272.db2.gz JPAIOAAXHMYLAX-UHFFFAOYSA-N 1 2 261.369 2.748 10 0 CFAELO CCNc1ccc(CSc2nncs2)c[nH+]1 ZINC000050834326 520303959 /nfs/dbraw/zinc/30/39/59/520303959.db2.gz LPAHEYIZEKFFRN-UHFFFAOYSA-N 1 2 252.368 2.657 10 0 CFAELO CCNc1nc(-c2ccc(O)c(OC)c2)[nH+]c(C)c1C ZINC000050865984 520350923 /nfs/dbraw/zinc/35/09/23/520350923.db2.gz JEQCVVQMNCMNPR-UHFFFAOYSA-N 1 2 273.336 2.906 10 0 CFAELO CCNc1[nH+]c2ccccc2cc1Cn1cccn1 ZINC000050818498 520359940 /nfs/dbraw/zinc/35/99/40/520359940.db2.gz ZKXXEWQRXYEJAT-UHFFFAOYSA-N 1 2 252.321 2.911 10 0 CFAELO CCNc1snnc1C[N@H+](CC(C)C)C1CC1 ZINC000050815689 520384480 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525623970 /nfs/dbraw/zinc/62/39/70/525623970.db2.gz FJZMMPUVIMVNCL-NEPJUHHUSA-N 1 2 286.379 2.732 10 0 CFAELO Cc1cnc(C[NH2+]Cc2c(F)cccc2Cl)cn1 ZINC000061320177 526041416 /nfs/dbraw/zinc/04/14/16/526041416.db2.gz CGGBMZMFPYWMKM-UHFFFAOYSA-N 1 2 265.719 2.867 10 0 CFAELO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2)o1 ZINC000220917223 526124010 /nfs/dbraw/zinc/12/40/10/526124010.db2.gz HVKUCEQWVYJMOP-SNVBAGLBSA-N 1 2 293.754 2.926 10 0 CFAELO O=C(CCNc1ccc2ccccc2[nH+]1)N1CCCC1 ZINC000157547655 526515092 /nfs/dbraw/zinc/51/50/92/526515092.db2.gz PYWXXBYOLNLSIU-UHFFFAOYSA-N 1 2 269.348 2.659 10 0 CFAELO Cc1nc(C)c([C@@H](C)Nc2cc(C(N)=S)cc[nH+]2)s1 ZINC000049534717 526747898 /nfs/dbraw/zinc/74/78/98/526747898.db2.gz ATUHFXWAXWKTLB-MRVPVSSYSA-N 1 2 292.433 2.962 10 0 CFAELO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCS[C@@H](C)C2)sc1C ZINC000246108613 526989152 /nfs/dbraw/zinc/98/91/52/526989152.db2.gz JBTDTSVXGVUUEF-WPRPVWTQSA-N 1 2 299.465 2.524 10 0 CFAELO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCS[C@@H](C)C2)sc1C 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ZINC000062796332 527459371 /nfs/dbraw/zinc/45/93/71/527459371.db2.gz DKCCMYHJCHWYPR-UHFFFAOYSA-N 1 2 265.769 2.777 10 0 CFAELO Nc1ccc(NC(=O)c2sccc2Br)c[nH+]1 ZINC000082614185 527495066 /nfs/dbraw/zinc/49/50/66/527495066.db2.gz ZIFNLQMQMHIKMY-UHFFFAOYSA-N 1 2 298.165 2.740 10 0 CFAELO Nc1ccc(OCCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000049326981 527495985 /nfs/dbraw/zinc/49/59/85/527495985.db2.gz QDPSCOAWZVEOLF-UHFFFAOYSA-N 1 2 285.269 2.953 10 0 CFAELO Nc1ccc(SCCCOCC(F)(F)F)c[nH+]1 ZINC000049312599 527500493 /nfs/dbraw/zinc/50/04/93/527500493.db2.gz GLCIXYCDDIAHQT-UHFFFAOYSA-N 1 2 266.288 2.725 10 0 CFAELO Cc1ncsc1C[NH2+]Cc1ncc(Cl)s1 ZINC000225341160 527510571 /nfs/dbraw/zinc/51/05/71/527510571.db2.gz HQLWGIVWATYRKD-UHFFFAOYSA-N 1 2 259.787 2.851 10 0 CFAELO Nc1nc(-c2cccc(Br)c2)[nH+]c2c1CCC2 ZINC000050844608 527540345 /nfs/dbraw/zinc/54/03/45/527540345.db2.gz PFMLUHBCWQKFIT-UHFFFAOYSA-N 1 2 290.164 2.977 10 0 CFAELO CCOc1ccccc1[C@@H](C)[NH2+]Cc1csnn1 ZINC000398413731 574365154 /nfs/dbraw/zinc/36/51/54/574365154.db2.gz NEDDPKYYZVKHPK-SNVBAGLBSA-N 1 2 263.366 2.788 10 0 CFAELO CCOC(C[NH2+][C@H](C)c1csc(C)n1)OCC ZINC000093446918 617842365 /nfs/dbraw/zinc/84/23/65/617842365.db2.gz WPXWTIVGHNDUPA-SECBINFHSA-N 1 2 258.387 2.501 10 0 CFAELO COc1ccc([C@H](C)C[NH2+][C@@H](C)C(=O)OCC(C)C)cc1 ZINC000187902479 618059844 /nfs/dbraw/zinc/05/98/44/618059844.db2.gz BINCWFYZUDAJFA-KGLIPLIRSA-N 1 2 293.407 2.976 10 0 CFAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc(Br)c[nH]2)o1 ZINC000309182814 618263954 /nfs/dbraw/zinc/26/39/54/618263954.db2.gz AMBSPUBKPDPLNZ-MRVPVSSYSA-N 1 2 284.157 2.924 10 0 CFAELO CCOC[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000190770292 618381805 /nfs/dbraw/zinc/38/18/05/618381805.db2.gz BCIHYKFXDUFPGP-DZGCQCFKSA-N 1 2 279.380 2.648 10 0 CFAELO CCOC[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000190770292 618381809 /nfs/dbraw/zinc/38/18/09/618381809.db2.gz BCIHYKFXDUFPGP-DZGCQCFKSA-N 1 2 279.380 2.648 10 0 CFAELO CC[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2c2nc[nH]n2)CCO1 ZINC000895198648 618464188 /nfs/dbraw/zinc/46/41/88/618464188.db2.gz RGGOBABYRSVVAG-MJBXVCDLSA-N 1 2 278.400 2.537 10 0 CFAELO CC[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H]2c2nc[nH]n2)CCO1 ZINC000895198648 618464192 /nfs/dbraw/zinc/46/41/92/618464192.db2.gz RGGOBABYRSVVAG-MJBXVCDLSA-N 1 2 278.400 2.537 10 0 CFAELO Cc1cc2c(nc(N3CCCC3)[nH+]c2N2CCCCC2)[nH]1 ZINC000223929302 622995975 /nfs/dbraw/zinc/99/59/75/622995975.db2.gz UUEKFVUNRLWBLB-UHFFFAOYSA-N 1 2 285.395 2.857 10 0 CFAELO Oc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1F ZINC000232449918 623411952 /nfs/dbraw/zinc/41/19/52/623411952.db2.gz VZMPGEUPYWHREC-DZGCQCFKSA-N 1 2 265.328 2.675 10 0 CFAELO Oc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1F ZINC000232449918 623411955 /nfs/dbraw/zinc/41/19/55/623411955.db2.gz VZMPGEUPYWHREC-DZGCQCFKSA-N 1 2 265.328 2.675 10 0 CFAELO COc1ccc2oc(C[NH2+][C@@H]3CCCn4ncnc43)cc2c1 ZINC000126442831 187240223 /nfs/dbraw/zinc/24/02/23/187240223.db2.gz UZULZAGREKCHSS-CQSZACIVSA-N 1 2 298.346 2.658 10 0 CFAELO CC(C)(C)c1ccc(C(=O)N2CC[NH+]=C2N2CCCC2)cc1 ZINC000064677649 539365142 /nfs/dbraw/zinc/36/51/42/539365142.db2.gz DNWJFBRXMLRYRA-UHFFFAOYSA-N 1 2 299.418 2.892 10 0 CFAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cnc(C)s1 ZINC000090228037 539527256 /nfs/dbraw/zinc/52/72/56/539527256.db2.gz PKRNDEQFJQYBEX-KWQFWETISA-N 1 2 277.397 2.537 10 0 CFAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cnc(C)s1 ZINC000090228041 539527641 /nfs/dbraw/zinc/52/76/41/539527641.db2.gz PKRNDEQFJQYBEX-LDYMZIIASA-N 1 2 277.397 2.537 10 0 CFAELO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1cccc(Cl)c1 ZINC000188803252 539528449 /nfs/dbraw/zinc/52/84/49/539528449.db2.gz XYLRICUOBVRDHX-JTQLQIEISA-N 1 2 277.755 2.873 10 0 CFAELO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1cccc(Cl)c1 ZINC000188803252 539528452 /nfs/dbraw/zinc/52/84/52/539528452.db2.gz XYLRICUOBVRDHX-JTQLQIEISA-N 1 2 277.755 2.873 10 0 CFAELO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000085133671 347477747 /nfs/dbraw/zinc/47/77/47/347477747.db2.gz PXAABKZRYAACPC-LPEHRKFASA-N 1 2 267.291 2.649 10 0 CFAELO Cc1cc(NCc2ccnc(OC(C)(C)C)c2)nc[nH+]1 ZINC000091674853 347595695 /nfs/dbraw/zinc/59/56/95/347595695.db2.gz FTJAOTFOSCYUIA-UHFFFAOYSA-N 1 2 272.352 2.969 10 0 CFAELO CCn1cc[nH+]c1C[S@](=O)Cc1csc(C2CC2)n1 ZINC000134429884 347898205 /nfs/dbraw/zinc/89/82/05/347898205.db2.gz SGXJDYDCVURKKJ-IBGZPJMESA-N 1 2 295.433 2.686 10 0 CFAELO Nc1[nH+]cccc1NC(=O)c1cc(F)c(Cl)cc1F ZINC000147361866 347947865 /nfs/dbraw/zinc/94/78/65/347947865.db2.gz PGSDOJGKCKUCQO-UHFFFAOYSA-N 1 2 283.665 2.848 10 0 CFAELO Cc1cccc2[nH+]c3c(n21)CN(C(=O)OC(C)(C)C)CC3 ZINC000163492704 348034203 /nfs/dbraw/zinc/03/42/03/348034203.db2.gz KMVCDOZGIKPLRG-UHFFFAOYSA-N 1 2 287.363 2.936 10 0 CFAELO Cc1c(N)c[nH+]c(NC(C)(C)C)c1Br ZINC000167006024 348044573 /nfs/dbraw/zinc/04/45/73/348044573.db2.gz APFUVCJNPZECAV-UHFFFAOYSA-N 1 2 258.163 2.945 10 0 CFAELO CC[C@@](C)(CO)Nc1[nH+]ccc(C)c1Br ZINC000233953558 348218334 /nfs/dbraw/zinc/21/83/34/348218334.db2.gz GYKINLXCZSQLNE-NSHDSACASA-N 1 2 273.174 2.725 10 0 CFAELO c1cc2c(nc[nH+]c2CC[C@@H]2COc3ccccc3O2)[nH]1 ZINC000243901225 348249777 /nfs/dbraw/zinc/24/97/77/348249777.db2.gz AZZVBECYIFBSHO-LLVKDONJSA-N 1 2 281.315 2.731 10 0 CFAELO Cc1[nH+]c([C@H](C)C(C)C)nc(N)c1Br ZINC000306816557 348393276 /nfs/dbraw/zinc/39/32/76/348393276.db2.gz IUWGVUQZTYJZAM-ZCFIWIBFSA-N 1 2 258.163 2.889 10 0 CFAELO c1csc(CNc2cc(N[C@@H]3CCCOC3)[nH+]cn2)c1 ZINC000328628086 348441865 /nfs/dbraw/zinc/44/18/65/348441865.db2.gz GYPQFKGBNXHTHN-LLVKDONJSA-N 1 2 290.392 2.741 10 0 CFAELO c1csc(CNc2cc(N[C@@H]3CCCOC3)nc[nH+]2)c1 ZINC000328628086 348441867 /nfs/dbraw/zinc/44/18/67/348441867.db2.gz GYPQFKGBNXHTHN-LLVKDONJSA-N 1 2 290.392 2.741 10 0 CFAELO CNc1c(N)c[nH+]c2c(Br)cc(Cl)cc12 ZINC000584882592 348725579 /nfs/dbraw/zinc/72/55/79/348725579.db2.gz LICHMVQNMAQGSW-UHFFFAOYSA-N 1 2 286.560 2.697 10 0 CFAELO Nc1[nH+]cccc1C(O)(c1ccccc1)c1ccccc1 ZINC000584633999 348697592 /nfs/dbraw/zinc/69/75/92/348697592.db2.gz WNBUKPOJKWVMTO-UHFFFAOYSA-N 1 2 276.339 2.948 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C1CCCCC1)C2 ZINC000220572205 539751527 /nfs/dbraw/zinc/75/15/27/539751527.db2.gz HMWMSZGNGRQOPE-GFCCVEGCSA-N 1 2 275.396 2.614 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C1CCCCC1)CC2 ZINC000220572205 539751529 /nfs/dbraw/zinc/75/15/29/539751529.db2.gz HMWMSZGNGRQOPE-GFCCVEGCSA-N 1 2 275.396 2.614 10 0 CFAELO c1ccc2c(c1)OC[C@@H]2Nc1cc[nH+]c(C2CC2)n1 ZINC000110381855 186294929 /nfs/dbraw/zinc/29/49/29/186294929.db2.gz SIKUPTVDFRTUIX-LBPRGKRZSA-N 1 2 253.305 2.900 10 0 CFAELO c1coc([C@@H]2CCOCC[N@H+]2Cc2ccccc2)n1 ZINC000616598257 352378266 /nfs/dbraw/zinc/37/82/66/352378266.db2.gz NXUWWAYSRSPASE-AWEZNQCLSA-N 1 2 258.321 2.638 10 0 CFAELO c1coc([C@@H]2CCOCC[N@@H+]2Cc2ccccc2)n1 ZINC000616598257 352378268 /nfs/dbraw/zinc/37/82/68/352378268.db2.gz NXUWWAYSRSPASE-AWEZNQCLSA-N 1 2 258.321 2.638 10 0 CFAELO CC(C)(C)OC(=O)N1CCCC[C@H]1c1cc[nH+]c(N)c1 ZINC000616616183 352385767 /nfs/dbraw/zinc/38/57/67/352385767.db2.gz AHOMCJQVTRBPNK-LBPRGKRZSA-N 1 2 277.368 2.956 10 0 CFAELO CC(C)(C)OC(=O)N1CCCC[C@H](c2c[nH+]c[nH]2)C1 ZINC000616628195 352391128 /nfs/dbraw/zinc/39/11/28/352391128.db2.gz CIEQPMVRWUGNOE-NSHDSACASA-N 1 2 265.357 2.914 10 0 CFAELO CC(C)(C)OC(=O)N1CCCC[C@H](c2c[nH]c[nH+]2)C1 ZINC000616628195 352391131 /nfs/dbraw/zinc/39/11/31/352391131.db2.gz CIEQPMVRWUGNOE-NSHDSACASA-N 1 2 265.357 2.914 10 0 CFAELO CC(C)(C)OC(=O)N1CCCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000616630726 352392893 /nfs/dbraw/zinc/39/28/93/352392893.db2.gz QEPDQQVEIIJJTD-NSHDSACASA-N 1 2 265.357 2.914 10 0 CFAELO OCc1cccc([C@@H]2COCC[N@@H+]2Cc2ccccc2)c1 ZINC000616639089 352394916 /nfs/dbraw/zinc/39/49/16/352394916.db2.gz NEEPUZCCTPHCCY-SFHVURJKSA-N 1 2 283.371 2.752 10 0 CFAELO OCc1cccc([C@@H]2COCC[N@H+]2Cc2ccccc2)c1 ZINC000616639089 352394921 /nfs/dbraw/zinc/39/49/21/352394921.db2.gz NEEPUZCCTPHCCY-SFHVURJKSA-N 1 2 283.371 2.752 10 0 CFAELO c1coc([C@H]2CCOCC[N@H+]2Cc2ccccc2)n1 ZINC000616659180 352401975 /nfs/dbraw/zinc/40/19/75/352401975.db2.gz NXUWWAYSRSPASE-CQSZACIVSA-N 1 2 258.321 2.638 10 0 CFAELO c1coc([C@H]2CCOCC[N@@H+]2Cc2ccccc2)n1 ZINC000616659180 352401978 /nfs/dbraw/zinc/40/19/78/352401978.db2.gz NXUWWAYSRSPASE-CQSZACIVSA-N 1 2 258.321 2.638 10 0 CFAELO Cc1nc(CCNc2nc(C3CC3)[nH+]c3c2CCC3)c(C)o1 ZINC000329121616 202196985 /nfs/dbraw/zinc/19/69/85/202196985.db2.gz KOTQMVDNGFCLKR-UHFFFAOYSA-N 1 2 298.390 2.524 10 0 CFAELO Cc1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000176342510 188990591 /nfs/dbraw/zinc/99/05/91/188990591.db2.gz RXXZUAFIEIDEEQ-OAHLLOKOSA-N 1 2 284.363 2.888 10 0 CFAELO O=C(c1ccc2c(n1)CCCC2)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329383173 202309952 /nfs/dbraw/zinc/30/99/52/202309952.db2.gz RAHCPDXRVAREJI-OAHLLOKOSA-N 1 2 296.374 2.661 10 0 CFAELO COc1cccc([S@](=O)Cc2[nH+]ccn2C(C)C)c1 ZINC000177098333 189028935 /nfs/dbraw/zinc/02/89/35/189028935.db2.gz HGRITCHKDHIPFI-LJQANCHMSA-N 1 2 278.377 2.780 10 0 CFAELO Cc1cccc(CCNc2nccnc2C(C)C)[nH+]1 ZINC000413262418 540809954 /nfs/dbraw/zinc/80/99/54/540809954.db2.gz HFSOXVQKAVHCMU-UHFFFAOYSA-N 1 2 256.353 2.958 10 0 CFAELO C[C@H]1C[C@@H](C(=O)NCCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000182892049 189338659 /nfs/dbraw/zinc/33/86/59/189338659.db2.gz NERSFQODTUYLIQ-UONOGXRCSA-N 1 2 277.412 2.852 10 0 CFAELO COc1c(N)[nH+]cnc1N[C@@H](C)c1ccccc1C ZINC000134850747 541229512 /nfs/dbraw/zinc/22/95/12/541229512.db2.gz CXOAUHNDAXSVKT-JTQLQIEISA-N 1 2 258.325 2.549 10 0 CFAELO COc1c(N)nc[nH+]c1N[C@@H](C)c1ccccc1C ZINC000134850747 541229517 /nfs/dbraw/zinc/22/95/17/541229517.db2.gz CXOAUHNDAXSVKT-JTQLQIEISA-N 1 2 258.325 2.549 10 0 CFAELO CCN(Cc1ccccc1)CC(F)(F)C[NH2+]C1CC1 ZINC000685956243 541467240 /nfs/dbraw/zinc/46/72/40/541467240.db2.gz AXMKTMMSVBNVHZ-UHFFFAOYSA-N 1 2 268.351 2.896 10 0 CFAELO Nc1cn(Cc2ccc(Br)cc2Cl)c[nH+]1 ZINC000685964313 541478654 /nfs/dbraw/zinc/47/86/54/541478654.db2.gz YDDRPDVJCQPMIN-UHFFFAOYSA-N 1 2 286.560 2.930 10 0 CFAELO CCc1ccc(CNc2[nH+]cnc3c2cnn3C)cc1 ZINC000223979287 189740225 /nfs/dbraw/zinc/74/02/25/189740225.db2.gz ZMSYDKVTXQOEDQ-UHFFFAOYSA-N 1 2 267.336 2.538 10 0 CFAELO c1cn(-c2ccc3[nH]c(-c4cccnc4)nc3c2)c[nH+]1 ZINC000013651252 372038041 /nfs/dbraw/zinc/03/80/41/372038041.db2.gz KPJRUBUSISNODS-UHFFFAOYSA-N 1 2 261.288 2.811 10 0 CFAELO C[N@@H+]1CCN2c3ccccc3Cc3cc(O)ccc3[C@@H]2C1 ZINC000022060918 372243865 /nfs/dbraw/zinc/24/38/65/372243865.db2.gz IDQNTICZJWERCI-SFHVURJKSA-N 1 2 280.371 2.790 10 0 in-vitro CFAELO C[N@H+]1CCN2c3ccccc3Cc3cc(O)ccc3[C@@H]2C1 ZINC000022060918 372243873 /nfs/dbraw/zinc/24/38/73/372243873.db2.gz IDQNTICZJWERCI-SFHVURJKSA-N 1 2 280.371 2.790 10 0 in-vitro CFAELO Cc1ccc([C@H](C)[NH2+]Cc2nc3ccccc3c(=O)[nH]2)o1 ZINC000037976278 372743245 /nfs/dbraw/zinc/74/32/45/372743245.db2.gz DRBAFOPRZFCBHL-NSHDSACASA-N 1 2 283.331 2.675 10 0 CFAELO O=C(c1cc2c(s1)C[N@@H+](C1CC1)C2)N1CCCCC1 ZINC000065238924 296193698 /nfs/dbraw/zinc/19/36/98/296193698.db2.gz RYDHNEOHOYKUFE-UHFFFAOYSA-N 1 2 276.405 2.852 10 0 CFAELO O=C(c1cc2c(s1)C[N@H+](C1CC1)C2)N1CCCCC1 ZINC000065238924 296193700 /nfs/dbraw/zinc/19/37/00/296193700.db2.gz RYDHNEOHOYKUFE-UHFFFAOYSA-N 1 2 276.405 2.852 10 0 CFAELO CCOC(=O)C[N@H+](CC)Cc1ccc2ccccc2n1 ZINC000050051383 373345491 /nfs/dbraw/zinc/34/54/91/373345491.db2.gz BKIWGMYHKIYHKD-UHFFFAOYSA-N 1 2 272.348 2.620 10 0 CFAELO CCOC(=O)C[N@@H+](CC)Cc1ccc2ccccc2n1 ZINC000050051383 373345501 /nfs/dbraw/zinc/34/55/01/373345501.db2.gz BKIWGMYHKIYHKD-UHFFFAOYSA-N 1 2 272.348 2.620 10 0 CFAELO CC(C)c1cc(N2CCC(=O)CC2)nc(-c2ccncc2)[nH+]1 ZINC000070452064 374180465 /nfs/dbraw/zinc/18/04/65/374180465.db2.gz GDXNJKMISMQFNN-UHFFFAOYSA-N 1 2 296.374 2.831 10 0 CFAELO COc1ccc(-c2noc([C@@H]([NH3+])c3ccccc3)n2)cc1F ZINC000070458815 374181077 /nfs/dbraw/zinc/18/10/77/374181077.db2.gz LORUVJFLRRZRBL-AWEZNQCLSA-N 1 2 299.305 2.932 10 0 CFAELO CC1(C)OC[C@H](COc2ccc(-c3[nH]cc[nH+]3)cc2)O1 ZINC000089202519 374887127 /nfs/dbraw/zinc/88/71/27/374887127.db2.gz RGWHEPANWICREU-ZDUSSCGKSA-N 1 2 274.320 2.607 10 0 CFAELO CC(C)[C@H]([NH2+]Cc1ncn(C)n1)c1ccccc1Cl ZINC000091410026 375050134 /nfs/dbraw/zinc/05/01/34/375050134.db2.gz KXKWVPVGUJQSBT-AWEZNQCLSA-N 1 2 278.787 2.955 10 0 CFAELO C[C@H]1COC[C@H](C)[NH+]1CCOc1ccc(F)cc1Cl ZINC000091672915 375058052 /nfs/dbraw/zinc/05/80/52/375058052.db2.gz KJCVVVUWUYZAKX-QWRGUYRKSA-N 1 2 287.762 2.967 10 0 CFAELO Cc1csc([C@H]2CCC[N@H+](Cc3cn[nH]c3C)C2)n1 ZINC000092788402 375154857 /nfs/dbraw/zinc/15/48/57/375154857.db2.gz DXADELDYRWEFFW-LBPRGKRZSA-N 1 2 276.409 2.863 10 0 CFAELO Cc1csc([C@H]2CCC[N@@H+](Cc3cn[nH]c3C)C2)n1 ZINC000092788402 375154860 /nfs/dbraw/zinc/15/48/60/375154860.db2.gz DXADELDYRWEFFW-LBPRGKRZSA-N 1 2 276.409 2.863 10 0 CFAELO CNC(=O)Oc1c(C)c2sc(N)[nH+]c2c(C)c1C ZINC000096346711 375485675 /nfs/dbraw/zinc/48/56/75/375485675.db2.gz VSAJCGNEUIENBW-UHFFFAOYSA-N 1 2 265.338 2.522 10 0 CFAELO CCn1cc(C2CCN(c3cc[nH+]c(C4CC4)n3)CC2)cn1 ZINC000110413649 375828557 /nfs/dbraw/zinc/82/85/57/375828557.db2.gz UTTVFWZXYYDQQU-UHFFFAOYSA-N 1 2 297.406 2.954 10 0 CFAELO CCC(CC)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112667554 375942691 /nfs/dbraw/zinc/94/26/91/375942691.db2.gz SNTVSMQVDUIKIC-UHFFFAOYSA-N 1 2 277.412 2.864 10 0 CFAELO CS[C@H](C)CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000120907784 376719501 /nfs/dbraw/zinc/71/95/01/376719501.db2.gz WSGQGCPZUZOJDZ-LLVKDONJSA-N 1 2 295.452 2.570 10 0 CFAELO CC[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000134054194 377979579 /nfs/dbraw/zinc/97/95/79/377979579.db2.gz BVVJEKVVKWNMIQ-SNVBAGLBSA-N 1 2 254.399 2.834 10 0 CFAELO CC[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000134054194 377979582 /nfs/dbraw/zinc/97/95/82/377979582.db2.gz BVVJEKVVKWNMIQ-SNVBAGLBSA-N 1 2 254.399 2.834 10 0 CFAELO CC[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000134053980 377979784 /nfs/dbraw/zinc/97/97/84/377979784.db2.gz BVVJEKVVKWNMIQ-JTQLQIEISA-N 1 2 254.399 2.834 10 0 CFAELO CC[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000134053980 377979788 /nfs/dbraw/zinc/97/97/88/377979788.db2.gz BVVJEKVVKWNMIQ-JTQLQIEISA-N 1 2 254.399 2.834 10 0 CFAELO CCn1c(C)cc(C(=O)C[N@@H+]2CCS[C@@H](C)C2)c1C ZINC000134343369 378003050 /nfs/dbraw/zinc/00/30/50/378003050.db2.gz DIECQBHJOPTMIF-LBPRGKRZSA-N 1 2 280.437 2.745 10 0 CFAELO CCn1c(C)cc(C(=O)C[N@H+]2CCS[C@@H](C)C2)c1C ZINC000134343369 378003054 /nfs/dbraw/zinc/00/30/54/378003054.db2.gz DIECQBHJOPTMIF-LBPRGKRZSA-N 1 2 280.437 2.745 10 0 CFAELO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1COc2ccccc21 ZINC000164681938 379021107 /nfs/dbraw/zinc/02/11/07/379021107.db2.gz OGJYUQUJWPUWJN-LBPRGKRZSA-N 1 2 277.755 2.605 10 0 CFAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cncc(F)c1 ZINC000167849804 379077892 /nfs/dbraw/zinc/07/78/92/379077892.db2.gz CBKWTWVFQCMOPL-MFKMUULPSA-N 1 2 289.358 2.560 10 0 CFAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(C)o1 ZINC000167874085 379078238 /nfs/dbraw/zinc/07/82/38/379078238.db2.gz HFBBRHPCSOPLJD-NWDGAFQWSA-N 1 2 274.368 2.928 10 0 CFAELO C[C@H]1C[N@H+](CC(=O)Nc2cccc(Cl)c2)CCS1 ZINC000171702274 379377707 /nfs/dbraw/zinc/37/77/07/379377707.db2.gz KWZWPDLRKMXDLR-JTQLQIEISA-N 1 2 284.812 2.716 10 0 CFAELO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(Cl)c2)CCS1 ZINC000171702274 379377716 /nfs/dbraw/zinc/37/77/16/379377716.db2.gz KWZWPDLRKMXDLR-JTQLQIEISA-N 1 2 284.812 2.716 10 0 CFAELO CSc1cccc(NC(=O)C[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000171702167 379378565 /nfs/dbraw/zinc/37/85/65/379378565.db2.gz VOPVRDUYNOWGSA-NSHDSACASA-N 1 2 296.461 2.784 10 0 CFAELO CSc1cccc(NC(=O)C[N@H+]2CCS[C@@H](C)C2)c1 ZINC000171702167 379378571 /nfs/dbraw/zinc/37/85/71/379378571.db2.gz VOPVRDUYNOWGSA-NSHDSACASA-N 1 2 296.461 2.784 10 0 CFAELO CC(C)c1nnc(C[NH+]2CCC(C(F)(F)F)CC2)n1C ZINC000174184330 379839916 /nfs/dbraw/zinc/83/99/16/379839916.db2.gz AIGPDQUDBOIMCH-UHFFFAOYSA-N 1 2 290.333 2.713 10 0 CFAELO CCc1nc(C2([NH2+]Cc3cc[nH]c3)CCCC2)no1 ZINC000175703857 380116739 /nfs/dbraw/zinc/11/67/39/380116739.db2.gz PCOCBNYAYMMQSY-UHFFFAOYSA-N 1 2 260.341 2.519 10 0 CFAELO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)o1 ZINC000180653215 380686348 /nfs/dbraw/zinc/68/63/48/380686348.db2.gz COQYTWDQUUFHGT-NWDGAFQWSA-N 1 2 297.362 2.976 10 0 CFAELO CCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000181625890 380846361 /nfs/dbraw/zinc/84/63/61/380846361.db2.gz LWQRZJXWTBSONZ-VIFPVBQESA-N 1 2 280.322 2.735 10 0 CFAELO CC(C)c1nc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)no1 ZINC000183170255 381224563 /nfs/dbraw/zinc/22/45/63/381224563.db2.gz JQZMJGIZTURTDI-CYBMUJFWSA-N 1 2 289.383 2.617 10 0 CFAELO CC(C)c1nc([C@H]2CCCN2CCCn2cc[nH+]c2)no1 ZINC000183170255 381224576 /nfs/dbraw/zinc/22/45/76/381224576.db2.gz JQZMJGIZTURTDI-CYBMUJFWSA-N 1 2 289.383 2.617 10 0 CFAELO CC(C)(C)C[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000185766790 381728739 /nfs/dbraw/zinc/72/87/39/381728739.db2.gz OVGPWCFNTINSEA-UHFFFAOYSA-N 1 2 274.368 2.519 10 0 CFAELO CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@H](C)OC ZINC000302615713 382278191 /nfs/dbraw/zinc/27/81/91/382278191.db2.gz CJGOZFYBJVSCQS-NSHDSACASA-N 1 2 288.347 2.858 10 0 CFAELO CNc1nc(N[C@H]2CCC[C@@H]2C)[nH+]cc1Br ZINC000302503908 382259545 /nfs/dbraw/zinc/25/95/45/382259545.db2.gz DICWWGJRXWCOSQ-CBAPKCEASA-N 1 2 285.189 2.881 10 0 CFAELO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000189207483 382565829 /nfs/dbraw/zinc/56/58/29/382565829.db2.gz XNNWEBLBOAZGIO-LSDHHAIUSA-N 1 2 283.799 2.874 10 0 CFAELO CC[C@@](C)(O)C[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000189207483 382565835 /nfs/dbraw/zinc/56/58/35/382565835.db2.gz XNNWEBLBOAZGIO-LSDHHAIUSA-N 1 2 283.799 2.874 10 0 CFAELO Fc1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cn1 ZINC000189361245 382598357 /nfs/dbraw/zinc/59/83/57/382598357.db2.gz JANNTRIBMHGUIQ-CYBMUJFWSA-N 1 2 260.316 2.671 10 0 CFAELO Fc1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cn1 ZINC000189361245 382598361 /nfs/dbraw/zinc/59/83/61/382598361.db2.gz JANNTRIBMHGUIQ-CYBMUJFWSA-N 1 2 260.316 2.671 10 0 CFAELO Cc1nc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2C)cs1 ZINC000189934559 382645850 /nfs/dbraw/zinc/64/58/50/382645850.db2.gz MHRITMSSAZKZSV-AWEZNQCLSA-N 1 2 276.409 2.831 10 0 CFAELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2C)cs1 ZINC000189934559 382645851 /nfs/dbraw/zinc/64/58/51/382645851.db2.gz MHRITMSSAZKZSV-AWEZNQCLSA-N 1 2 276.409 2.831 10 0 CFAELO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cnc(CC(C)C)s1 ZINC000189990638 382648913 /nfs/dbraw/zinc/64/89/13/382648913.db2.gz CMVNKLBSOLYUGV-HNNXBMFYSA-N 1 2 296.436 2.869 10 0 CFAELO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cnc(CC(C)C)s1 ZINC000189990638 382648914 /nfs/dbraw/zinc/64/89/14/382648914.db2.gz CMVNKLBSOLYUGV-HNNXBMFYSA-N 1 2 296.436 2.869 10 0 CFAELO CC[C@@H]([NH2+][C@@H]1CCCc2cc(OC)ccc21)C(=O)OC ZINC000279912377 194623524 /nfs/dbraw/zinc/62/35/24/194623524.db2.gz VTIYBEYLNULLPN-HUUCEWRRSA-N 1 2 277.364 2.614 10 0 CFAELO CC(C)=CCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000190631590 382675552 /nfs/dbraw/zinc/67/55/52/382675552.db2.gz RAJPXHGLZDHNJE-UHFFFAOYSA-N 1 2 290.411 2.577 10 0 CFAELO C[C@H]1C[N@H+](Cc2nccn2-c2ccccc2)CCS1 ZINC000191319590 382698382 /nfs/dbraw/zinc/69/83/82/382698382.db2.gz OCBIBASNJHMJNH-ZDUSSCGKSA-N 1 2 273.405 2.810 10 0 CFAELO C[C@H]1C[N@@H+](Cc2nccn2-c2ccccc2)CCS1 ZINC000191319590 382698383 /nfs/dbraw/zinc/69/83/83/382698383.db2.gz OCBIBASNJHMJNH-ZDUSSCGKSA-N 1 2 273.405 2.810 10 0 CFAELO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000191991809 382703982 /nfs/dbraw/zinc/70/39/82/382703982.db2.gz RTJHPBIIQGKIQV-ZIAGYGMSSA-N 1 2 293.411 2.677 10 0 CFAELO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000191991809 382703983 /nfs/dbraw/zinc/70/39/83/382703983.db2.gz RTJHPBIIQGKIQV-ZIAGYGMSSA-N 1 2 293.411 2.677 10 0 CFAELO COc1ncccc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000193428631 382719858 /nfs/dbraw/zinc/71/98/58/382719858.db2.gz YPIGZLFVGHQWLO-AWEZNQCLSA-N 1 2 272.352 2.541 10 0 CFAELO COc1ncccc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000193428631 382719859 /nfs/dbraw/zinc/71/98/59/382719859.db2.gz YPIGZLFVGHQWLO-AWEZNQCLSA-N 1 2 272.352 2.541 10 0 CFAELO OC[C@H]1Cc2occc2C[N@@H+]1Cc1ccc2ccccc2n1 ZINC000575407938 382770088 /nfs/dbraw/zinc/77/00/88/382770088.db2.gz VUYVDLKJTSUCNS-MRXNPFEDSA-N 1 2 294.354 2.747 10 0 CFAELO OC[C@H]1Cc2occc2C[N@H+]1Cc1ccc2ccccc2n1 ZINC000575407938 382770091 /nfs/dbraw/zinc/77/00/91/382770091.db2.gz VUYVDLKJTSUCNS-MRXNPFEDSA-N 1 2 294.354 2.747 10 0 CFAELO [NH3+][C@@H](c1ccns1)c1occc1Br ZINC000575458195 382772174 /nfs/dbraw/zinc/77/21/74/382772174.db2.gz DLJFRNLKXHVBCX-ZETCQYMHSA-N 1 2 259.128 2.547 10 0 CFAELO C[C@@H]1C[NH2+][C@H](c2ccncc2Br)S1 ZINC000575544318 382773349 /nfs/dbraw/zinc/77/33/49/382773349.db2.gz CRKIUGSEIZYANQ-MUWHJKNJSA-N 1 2 259.172 2.568 10 0 CFAELO Cn1ncc2c1CCC[C@@H]2c1[nH+]cc2c(Cl)nccn21 ZINC000224004133 382808537 /nfs/dbraw/zinc/80/85/37/382808537.db2.gz CJOIRMBXCBLJED-VIFPVBQESA-N 1 2 287.754 2.584 10 0 CFAELO Cc1cc(NC[C@@H](O)CC(C)C)nc(C(C)C)[nH+]1 ZINC000224292959 382810330 /nfs/dbraw/zinc/81/03/30/382810330.db2.gz MBHFGRGBEOVWFN-LBPRGKRZSA-N 1 2 251.374 2.727 10 0 CFAELO C[C@H]1CCCN(c2cc(N[C@H]3CCCOCC3)[nH+]cn2)C1 ZINC000245875888 383043351 /nfs/dbraw/zinc/04/33/51/383043351.db2.gz KDZRPDSCUMODOF-KBPBESRZSA-N 1 2 290.411 2.694 10 0 CFAELO C[C@H]1CCCN(c2cc(N[C@H]3CCCOCC3)nc[nH+]2)C1 ZINC000245875888 383043355 /nfs/dbraw/zinc/04/33/55/383043355.db2.gz KDZRPDSCUMODOF-KBPBESRZSA-N 1 2 290.411 2.694 10 0 CFAELO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000246595624 383084803 /nfs/dbraw/zinc/08/48/03/383084803.db2.gz FYRCZWJNRSTACX-KGLIPLIRSA-N 1 2 293.411 2.516 10 0 CFAELO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000246595624 383084804 /nfs/dbraw/zinc/08/48/04/383084804.db2.gz FYRCZWJNRSTACX-KGLIPLIRSA-N 1 2 293.411 2.516 10 0 CFAELO Cc1cc(N2CC[C@]3(O)CCCC[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000246849481 383112343 /nfs/dbraw/zinc/11/23/43/383112343.db2.gz BJQRPYWNCSTLMV-WMLDXEAASA-N 1 2 287.407 2.794 10 0 CFAELO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000249917382 383367183 /nfs/dbraw/zinc/36/71/83/383367183.db2.gz XWHIRYVUDGXKGW-NEPJUHHUSA-N 1 2 296.436 2.837 10 0 CFAELO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000249917382 383367187 /nfs/dbraw/zinc/36/71/87/383367187.db2.gz XWHIRYVUDGXKGW-NEPJUHHUSA-N 1 2 296.436 2.837 10 0 CFAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(F)nc1 ZINC000250083081 383370366 /nfs/dbraw/zinc/37/03/66/383370366.db2.gz PIXRBNVVQARMRZ-MCIONIFRSA-N 1 2 292.354 2.527 10 0 CFAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(F)nc1 ZINC000250083081 383370367 /nfs/dbraw/zinc/37/03/67/383370367.db2.gz PIXRBNVVQARMRZ-MCIONIFRSA-N 1 2 292.354 2.527 10 0 CFAELO C[C@@H]1CCCN(c2cc(NCC(C)(C)CCO)[nH+]cn2)C1 ZINC000266182815 384108374 /nfs/dbraw/zinc/10/83/74/384108374.db2.gz CWVQSOFTMYYHIN-CYBMUJFWSA-N 1 2 292.427 2.533 10 0 CFAELO C[C@@H]1CCCN(c2cc(NCC(C)(C)CCO)nc[nH+]2)C1 ZINC000266182815 384108383 /nfs/dbraw/zinc/10/83/83/384108383.db2.gz CWVQSOFTMYYHIN-CYBMUJFWSA-N 1 2 292.427 2.533 10 0 CFAELO CC(C)n1cc[nH+]c1C[S@@](=O)c1cccc(F)c1 ZINC000267606216 384424783 /nfs/dbraw/zinc/42/47/83/384424783.db2.gz BWZRIHFTNGLPLF-GOSISDBHSA-N 1 2 266.341 2.911 10 0 CFAELO Cc1ccc(NC(=O)N2CCc3c([nH+]cn3C)C2)cc1C ZINC000681706566 542481346 /nfs/dbraw/zinc/48/13/46/542481346.db2.gz YAPCXAMSIATZKK-UHFFFAOYSA-N 1 2 284.363 2.627 10 0 CFAELO C[C@H]([NH2+]Cc1nc(N(C)C)no1)c1ccc(F)c(Cl)c1 ZINC000191605945 130261257 /nfs/dbraw/zinc/26/12/57/130261257.db2.gz YLWGBBGTTGIBOQ-QMMMGPOBSA-N 1 2 298.749 2.779 10 0 CFAELO Cc1ccc2ncc(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)n2c1 ZINC000245547943 131086350 /nfs/dbraw/zinc/08/63/50/131086350.db2.gz WXYVESSVPDMVIJ-CVEARBPZSA-N 1 2 285.391 2.786 10 0 CFAELO Cc1ccc2ncc(C[N@H+]3CCO[C@H]4CCCC[C@H]43)n2c1 ZINC000245547943 131086352 /nfs/dbraw/zinc/08/63/52/131086352.db2.gz WXYVESSVPDMVIJ-CVEARBPZSA-N 1 2 285.391 2.786 10 0 CFAELO Cc1ccc2[nH+]cc(CN3CCO[C@H]4CCCC[C@H]43)n2c1 ZINC000245547943 131086353 /nfs/dbraw/zinc/08/63/53/131086353.db2.gz WXYVESSVPDMVIJ-CVEARBPZSA-N 1 2 285.391 2.786 10 0 CFAELO Nc1[nH+]cnc(N[C@@H]2CCc3ccccc32)c1Cl ZINC000302061445 393487323 /nfs/dbraw/zinc/48/73/23/393487323.db2.gz TYPISKJMQKNFQK-SNVBAGLBSA-N 1 2 260.728 2.812 10 0 CFAELO Nc1nc[nH+]c(N[C@@H]2CCc3ccccc32)c1Cl ZINC000302061445 393487327 /nfs/dbraw/zinc/48/73/27/393487327.db2.gz TYPISKJMQKNFQK-SNVBAGLBSA-N 1 2 260.728 2.812 10 0 CFAELO CC[N@H+](Cc1cccs1)Cc1nnc(C2CC2)n1C ZINC000195031155 393728754 /nfs/dbraw/zinc/72/87/54/393728754.db2.gz JXXKVXOPLBTLQH-UHFFFAOYSA-N 1 2 276.409 2.776 10 0 CFAELO CC[N@@H+](Cc1cccs1)Cc1nnc(C2CC2)n1C ZINC000195031155 393728756 /nfs/dbraw/zinc/72/87/56/393728756.db2.gz JXXKVXOPLBTLQH-UHFFFAOYSA-N 1 2 276.409 2.776 10 0 CFAELO CCn1c(C)nnc1C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000195042606 393729925 /nfs/dbraw/zinc/72/99/25/393729925.db2.gz KBHWIXKALPYAIP-NSHDSACASA-N 1 2 276.359 2.939 10 0 CFAELO CCn1c(C)nnc1C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000195042606 393729928 /nfs/dbraw/zinc/72/99/28/393729928.db2.gz KBHWIXKALPYAIP-NSHDSACASA-N 1 2 276.359 2.939 10 0 CFAELO Clc1cnc(Cl)c2c[nH+]c(C3CCOCC3)n21 ZINC000223773997 393765877 /nfs/dbraw/zinc/76/58/77/393765877.db2.gz AQNMGEPUCJXHAG-UHFFFAOYSA-N 1 2 272.135 2.930 10 0 CFAELO Cc1ccccc1[C@H](C)[NH2+]Cc1nsc(N(C)C)n1 ZINC000181557811 543022809 /nfs/dbraw/zinc/02/28/09/543022809.db2.gz MOJVFTCLEIISEN-NSHDSACASA-N 1 2 276.409 2.763 10 0 CFAELO c1cnn(-c2cccc(N[C@@H]3CCn4cc[nH+]c43)c2)c1 ZINC000345348437 162231541 /nfs/dbraw/zinc/23/15/41/162231541.db2.gz MBECWISOFGEAEP-CQSZACIVSA-N 1 2 265.320 2.626 10 0 CFAELO Cc1oc(-c2ccccc2)nc1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000346380541 162399386 /nfs/dbraw/zinc/39/93/86/162399386.db2.gz UMPOLGBWBKWXBG-KBPBESRZSA-N 1 2 290.338 2.555 10 0 CFAELO Cc1oc(-c2ccccc2)nc1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000346380541 162399390 /nfs/dbraw/zinc/39/93/90/162399390.db2.gz UMPOLGBWBKWXBG-KBPBESRZSA-N 1 2 290.338 2.555 10 0 CFAELO O[C@H](COCc1c[nH]c[nH+]1)c1cccc2ccccc21 ZINC000004770672 170013880 /nfs/dbraw/zinc/01/38/80/170013880.db2.gz LPXNSLVBFHXOCR-MRXNPFEDSA-N 1 2 268.316 2.813 10 0 CFAELO O[C@H](COCc1c[nH+]c[nH]1)c1cccc2ccccc21 ZINC000004770672 170013883 /nfs/dbraw/zinc/01/38/83/170013883.db2.gz LPXNSLVBFHXOCR-MRXNPFEDSA-N 1 2 268.316 2.813 10 0 CFAELO CCC[NH2+]CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000004859615 170032179 /nfs/dbraw/zinc/03/21/79/170032179.db2.gz PIYQZOGDMAEACK-YWPYICTPSA-N 1 2 253.386 2.744 10 0 CFAELO C[NH+](C)c1ccc(NCC(=O)Nc2ccccc2)cc1 ZINC000005215198 170076750 /nfs/dbraw/zinc/07/67/50/170076750.db2.gz ADNGJJRXFYAFQV-UHFFFAOYSA-N 1 2 269.348 2.803 10 0 CFAELO COc1ccc(Sc2cccc3[nH+]c(N)nc(N)c32)cc1 ZINC000005889226 170151021 /nfs/dbraw/zinc/15/10/21/170151021.db2.gz PGSPTCACZVPQJX-UHFFFAOYSA-N 1 2 298.371 2.954 10 0 CFAELO Nc1ccc(Sc2cccc3[nH+]c(N)nc(N)c32)cc1 ZINC000005933621 170157949 /nfs/dbraw/zinc/15/79/49/170157949.db2.gz IUTPNKUONYHHJO-UHFFFAOYSA-N 1 2 283.360 2.528 10 0 CFAELO Cc1cccc(NC(=O)CN2CCc3cc([NH3+])ccc32)c1 ZINC000019874996 170904736 /nfs/dbraw/zinc/90/47/36/170904736.db2.gz CCMZTULHAFUOIZ-UHFFFAOYSA-N 1 2 281.359 2.578 10 0 CFAELO Clc1ccc(NCC[NH+]2CCOCC2)cc1Cl ZINC000020048518 170978386 /nfs/dbraw/zinc/97/83/86/170978386.db2.gz HIAZHSSEDJDJPQ-UHFFFAOYSA-N 1 2 275.179 2.738 10 0 CFAELO COC(=O)c1ccc(Nc2[nH+]cccc2N)c(C)c1 ZINC000021781850 171322157 /nfs/dbraw/zinc/32/21/57/171322157.db2.gz APRSIQAAOLXZAE-UHFFFAOYSA-N 1 2 257.293 2.502 10 0 CFAELO C[C@H](C(=O)Nc1ccc(N)cc1Cl)[NH+]1CCCCC1 ZINC000022177420 171371500 /nfs/dbraw/zinc/37/15/00/171371500.db2.gz RMUQQYXORRPCLF-SNVBAGLBSA-N 1 2 281.787 2.735 10 0 CFAELO C[NH+](C)c1ccc(NCC(=O)Nc2ccccc2F)cc1 ZINC000035164822 172026476 /nfs/dbraw/zinc/02/64/76/172026476.db2.gz GMOFFOJDVPYCJR-UHFFFAOYSA-N 1 2 287.338 2.942 10 0 CFAELO Cn1cc[nH+]c1[C@@H](NCC(F)(F)F)c1cccs1 ZINC000037184438 173016572 /nfs/dbraw/zinc/01/65/72/173016572.db2.gz QXGIXORKHIECIT-VIFPVBQESA-N 1 2 275.299 2.723 10 0 CFAELO COC(=O)C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000037187561 173018211 /nfs/dbraw/zinc/01/82/11/173018211.db2.gz ROTYTZFNEWFTAF-ZDUSSCGKSA-N 1 2 253.367 2.742 10 0 CFAELO Nc1ccc(SCC(=O)N2CCCCCCC2)c[nH+]1 ZINC000037192380 173021309 /nfs/dbraw/zinc/02/13/09/173021309.db2.gz DLRXQWIACMMFKL-UHFFFAOYSA-N 1 2 279.409 2.549 10 0 CFAELO Nc1ccc(SCc2ccc3c(c2)OCO3)c[nH+]1 ZINC000037192438 173022314 /nfs/dbraw/zinc/02/23/14/173022314.db2.gz FGCMAUJSWJMNBC-UHFFFAOYSA-N 1 2 260.318 2.685 10 0 CFAELO CC(C)C[C@H](C)[NH2+]Cc1nc(=O)c2sccc2[nH]1 ZINC000037264715 173073345 /nfs/dbraw/zinc/07/33/45/173073345.db2.gz QDBZIZMKLKDNOD-VIFPVBQESA-N 1 2 265.382 2.509 10 0 CFAELO O=C(C[NH+]1CCCCCC1)c1cc(F)ccc1O ZINC000037332659 173133782 /nfs/dbraw/zinc/13/37/82/173133782.db2.gz ZTOKGZFQJNHAIL-UHFFFAOYSA-N 1 2 251.301 2.590 10 0 CFAELO COC1CC[NH+](CC(=O)c2ccccc2Cl)CC1 ZINC000037337415 173138207 /nfs/dbraw/zinc/13/82/07/173138207.db2.gz PSKFYLRTNUDPGQ-UHFFFAOYSA-N 1 2 267.756 2.634 10 0 CFAELO C[NH+](C)c1ccc(NCC(=O)OC(C)(C)C)cc1 ZINC000037390683 173173598 /nfs/dbraw/zinc/17/35/98/173173598.db2.gz KWAAADHFCWYNPU-UHFFFAOYSA-N 1 2 250.342 2.506 10 0 CFAELO CCOC(=O)[C@](CC)([NH2+]C(C)C)c1ccc(F)cc1 ZINC000037446093 173212707 /nfs/dbraw/zinc/21/27/07/173212707.db2.gz IOKWWJKLINYGKG-OAHLLOKOSA-N 1 2 267.344 2.992 10 0 CFAELO CCOC(=O)[C@@]1([NH2+]C(C)C)CCCc2ccccc21 ZINC000037446300 173213434 /nfs/dbraw/zinc/21/34/34/173213434.db2.gz VVAQTYLOSINNIZ-MRXNPFEDSA-N 1 2 261.365 2.779 10 0 CFAELO CC[NH2+][C@@](C)(C(=O)OC)c1ccc(CC(C)C)cc1 ZINC000037446681 173213719 /nfs/dbraw/zinc/21/37/19/173213719.db2.gz YYQSGDRVTJGRSL-MRXNPFEDSA-N 1 2 263.381 2.883 10 0 CFAELO COC(=O)[C@@H]([NH3+])c1cccc(Oc2ccccc2)c1 ZINC000037514763 173245866 /nfs/dbraw/zinc/24/58/66/173245866.db2.gz ONRFFDPXBBQZDX-AWEZNQCLSA-N 1 2 257.289 2.652 10 0 CFAELO CN(CC(F)(F)F)c1ccc2[nH+]cccc2c1N ZINC000037663988 173608950 /nfs/dbraw/zinc/60/89/50/173608950.db2.gz WCRXTGLXVFWYJK-UHFFFAOYSA-N 1 2 255.243 2.816 10 0 CFAELO CCCCOc1ccc(C[NH2+]Cc2nc(C)no2)cc1 ZINC000038034197 174032362 /nfs/dbraw/zinc/03/23/62/174032362.db2.gz PQGUAXQBQRRBJE-UHFFFAOYSA-N 1 2 275.352 2.847 10 0 CFAELO CCOc1ccc([C@@H]([NH2+][C@@H](C)CC)C(=O)OC)cc1 ZINC000038067221 174079189 /nfs/dbraw/zinc/07/91/89/174079189.db2.gz NOPHZKBQDOWPKC-SMDDNHRTSA-N 1 2 265.353 2.688 10 0 CFAELO Cc1nc(C[NH2+]Cc2ccccc2-n2cccn2)oc1C ZINC000040495584 174294358 /nfs/dbraw/zinc/29/43/58/174294358.db2.gz MZQVZSADZUCJBU-UHFFFAOYSA-N 1 2 282.347 2.767 10 0 CFAELO CCc1ccc(-c2[nH]c([C@@H]3C[C@H](OC)C[NH2+]3)nc2C)cc1 ZINC000040637783 174361596 /nfs/dbraw/zinc/36/15/96/174361596.db2.gz JTHRHNWBDBNQOY-GJZGRUSLSA-N 1 2 285.391 2.997 10 0 CFAELO CCCCN(C)c1[nH+]cnc(N2CCc3ccccc32)c1N ZINC000040687302 174375851 /nfs/dbraw/zinc/37/58/51/174375851.db2.gz XDECCFJUJIAJTC-UHFFFAOYSA-N 1 2 297.406 2.989 10 0 CFAELO CCCNc1[nH+]cnc(Nc2ccc(F)cc2F)c1N ZINC000040707928 174380338 /nfs/dbraw/zinc/38/03/38/174380338.db2.gz JGXZGNZDLOZMON-UHFFFAOYSA-N 1 2 279.294 2.903 10 0 CFAELO Nc1c(Nc2cccnc2)nc[nH+]c1NCc1ccccc1 ZINC000040709267 174380791 /nfs/dbraw/zinc/38/07/91/174380791.db2.gz NQKXZYZWHMZSEQ-UHFFFAOYSA-N 1 2 292.346 2.810 10 0 CFAELO CCc1[nH+]c2cc(C(=O)[O-])ccc2n1[C@H]1CCC[N@H+](C)C1 ZINC000040716049 174383599 /nfs/dbraw/zinc/38/35/99/174383599.db2.gz XYFLWRKKJLFIDS-LBPRGKRZSA-N 1 2 287.363 2.564 10 0 CFAELO CCc1[nH+]c2cc(C(=O)[O-])ccc2n1[C@H]1CCC[N@@H+](C)C1 ZINC000040716049 174383600 /nfs/dbraw/zinc/38/36/00/174383600.db2.gz XYFLWRKKJLFIDS-LBPRGKRZSA-N 1 2 287.363 2.564 10 0 CFAELO COc1ccc([C@@H](C)Nc2cc(C)[nH+]cn2)cc1OC ZINC000040727420 174387671 /nfs/dbraw/zinc/38/76/71/174387671.db2.gz RLFVUKIMQPDCKV-LLVKDONJSA-N 1 2 273.336 2.975 10 0 CFAELO COC(=O)c1cc([NH2+][C@@H](C)CC(C)C)ccc1N ZINC000041083262 174475361 /nfs/dbraw/zinc/47/53/61/174475361.db2.gz JNEBDTPCLBOUNT-JTQLQIEISA-N 1 2 250.342 2.902 10 0 CFAELO Cc1ccc([C@@H](NC(=O)C(C)C)c2[nH+]ccn2C)cc1 ZINC000041205333 174510620 /nfs/dbraw/zinc/51/06/20/174510620.db2.gz XJGQTADNQHHTPG-CQSZACIVSA-N 1 2 271.364 2.590 10 0 CFAELO COC(=O)[C@H](CC(C)C)[NH2+]C[C@H](O)c1ccccc1Cl ZINC000043435070 175044425 /nfs/dbraw/zinc/04/44/25/175044425.db2.gz DSONAAFQPNIFJG-KBPBESRZSA-N 1 2 299.798 2.551 10 0 CFAELO COC(=O)[C@@H](CC(C)C)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000043435044 175044664 /nfs/dbraw/zinc/04/46/64/175044664.db2.gz XJEVVUKCWYIBHX-KGLIPLIRSA-N 1 2 299.798 2.551 10 0 CFAELO CC[C@@H](C)[C@@H]([NH2+]Cc1ccc(O)c(Cl)c1)C(=O)OC ZINC000043479442 175055360 /nfs/dbraw/zinc/05/53/60/175055360.db2.gz KXYJPFRUZNNYEZ-NOZJJQNGSA-N 1 2 285.771 2.723 10 0 CFAELO CCOc1ccc([C@@H](C)O)cc1C[N@@H+]1CCOC(C)(C)C1 ZINC000044159993 175147051 /nfs/dbraw/zinc/14/70/51/175147051.db2.gz VZTCDKFVSAUDDW-CYBMUJFWSA-N 1 2 293.407 2.749 10 0 CFAELO CCOc1ccc([C@@H](C)O)cc1C[N@H+]1CCOC(C)(C)C1 ZINC000044159993 175147052 /nfs/dbraw/zinc/14/70/52/175147052.db2.gz VZTCDKFVSAUDDW-CYBMUJFWSA-N 1 2 293.407 2.749 10 0 CFAELO CCCn1ccnc1[C@@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000044482439 175179813 /nfs/dbraw/zinc/17/98/13/175179813.db2.gz OYDJQADBEUQBIZ-HNNXBMFYSA-N 1 2 289.379 2.619 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H]2CCC[C@@H](C)[C@@H]2C)c1N ZINC000044589676 175212099 /nfs/dbraw/zinc/21/20/99/175212099.db2.gz KLUHWENHVFEVCT-JFGNBEQYSA-N 1 2 279.384 2.948 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H]2CCC[C@H](C)[C@@H]2C)c1N ZINC000044589674 175212148 /nfs/dbraw/zinc/21/21/48/175212148.db2.gz KLUHWENHVFEVCT-NHCYSSNCSA-N 1 2 279.384 2.948 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n(C[C@@H]2CCCC[C@H]2C)c1N ZINC000044590947 175212583 /nfs/dbraw/zinc/21/25/83/175212583.db2.gz USBTVRLDBCSMCE-PWSUYJOCSA-N 1 2 279.384 2.777 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n(CC2CCCCC2)c1N ZINC000044590528 175212630 /nfs/dbraw/zinc/21/26/30/175212630.db2.gz YSZUANQVGDHFPN-UHFFFAOYSA-N 1 2 265.357 2.531 10 0 CFAELO Cc1nnc([C@@H]2[NH2+]CCc3sccc32)n1-c1ccccc1 ZINC000044593051 175214017 /nfs/dbraw/zinc/21/40/17/175214017.db2.gz IXJKKUJKPCIRTB-OAHLLOKOSA-N 1 2 296.399 2.872 10 0 CFAELO c1cc2c(s1)CC[NH2+][C@H]2c1nnc(-c2ccccc2)[nH]1 ZINC000044593035 175214149 /nfs/dbraw/zinc/21/41/49/175214149.db2.gz WNCSNQIMSKSSMH-CYBMUJFWSA-N 1 2 282.372 2.768 10 0 CFAELO Cc1ccc(C(N)=S)c(N[C@@H]2C[C@H]2c2ccccc2)[nH+]1 ZINC000044660483 175226286 /nfs/dbraw/zinc/22/62/86/175226286.db2.gz IXQDXNYWSCYOKU-UONOGXRCSA-N 1 2 283.400 2.992 10 0 CFAELO O[C@H]1CCCc2cc(OCCCn3cc[nH+]c3)ccc21 ZINC000044746080 175242096 /nfs/dbraw/zinc/24/20/96/175242096.db2.gz COXIJHVMMVVBLT-INIZCTEOSA-N 1 2 272.348 2.722 10 0 CFAELO Cc1[nH]ncc1C[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747406 175243232 /nfs/dbraw/zinc/24/32/32/175243232.db2.gz FIBOEHYFOBPPRY-OAHLLOKOSA-N 1 2 257.337 2.591 10 0 CFAELO Nc1ccc([NH2+]C[C@@H]2CCCOC2)c(Br)c1 ZINC000044981754 175283763 /nfs/dbraw/zinc/28/37/63/175283763.db2.gz GIROYJJDUSPOAN-VIFPVBQESA-N 1 2 285.185 2.870 10 0 CFAELO CC[C@@H](C)NC(=O)CCNc1ccc2[nH+]cccc2c1N ZINC000044990326 175286256 /nfs/dbraw/zinc/28/62/56/175286256.db2.gz QCJKHBSEULKHBH-LLVKDONJSA-N 1 2 286.379 2.534 10 0 CFAELO CCCc1cc(NCCOCCC(C)C)nc[nH+]1 ZINC000045108100 175308832 /nfs/dbraw/zinc/30/88/32/175308832.db2.gz GUEBJGBXLDSHJP-UHFFFAOYSA-N 1 2 251.374 2.904 10 0 CFAELO Cn1cc[nH+]c1CCn1c2cccc(F)c2[nH]c1=S ZINC000045135946 175313441 /nfs/dbraw/zinc/31/34/41/175313441.db2.gz XDSIEJKINNYMHD-UHFFFAOYSA-N 1 2 276.340 2.814 10 0 CFAELO CCn1nc(C)c([C@H](C)[NH2+]Cc2cc(C)on2)c1C ZINC000045172810 175322427 /nfs/dbraw/zinc/32/24/27/175322427.db2.gz NTZHJHJLGUSLKP-JTQLQIEISA-N 1 2 262.357 2.667 10 0 CFAELO CCOC(=O)COc1cc(C)[nH+]c2c(C)cccc12 ZINC000045928513 175386888 /nfs/dbraw/zinc/38/68/88/175386888.db2.gz WUQSKHRSTPNVFV-UHFFFAOYSA-N 1 2 259.305 2.794 10 0 CFAELO C[C@H](Nc1ccc(-c2c[nH]cn2)cc1)c1[nH+]ccn1C ZINC000070444468 175936603 /nfs/dbraw/zinc/93/66/03/175936603.db2.gz MEQADLXWVFLQHR-NSHDSACASA-N 1 2 267.336 2.983 10 0 CFAELO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2cc(F)ccc2F)C1 ZINC000071652496 176241432 /nfs/dbraw/zinc/24/14/32/176241432.db2.gz FFGIKYZKXQYOOG-CYBMUJFWSA-N 1 2 298.333 2.846 10 0 CFAELO CNc1cccc([C@@H]2CCCN(C(=O)c3ccncc3)C2)[nH+]1 ZINC000072363913 176378524 /nfs/dbraw/zinc/37/85/24/176378524.db2.gz JTKIIWOWUVOIOR-CQSZACIVSA-N 1 2 296.374 2.538 10 0 CFAELO Cc1ccc2[nH+]c(-c3ccc(S(C)(=O)=O)cc3)cn2c1 ZINC000077254559 177243888 /nfs/dbraw/zinc/24/38/88/177243888.db2.gz CJNRDMVYUOLHMZ-UHFFFAOYSA-N 1 2 286.356 2.713 10 0 CFAELO C[C@@H]1COC[C@H](C)N1Cc1[nH+]ccn1Cc1ccccc1 ZINC000077367178 177258622 /nfs/dbraw/zinc/25/86/22/177258622.db2.gz JFWSMYMWQBCPPY-GASCZTMLSA-N 1 2 285.391 2.541 10 0 CFAELO Cc1nc(C[NH2+][C@H](C)c2cccc(Br)c2)no1 ZINC000182572917 261449392 /nfs/dbraw/zinc/44/93/92/261449392.db2.gz CXBXHIMTEWVEBS-MRVPVSSYSA-N 1 2 296.168 2.991 10 0 CFAELO CCn1c(C)nnc1C[N@H+](C)[C@H](C)c1cccs1 ZINC000195084538 270249922 /nfs/dbraw/zinc/24/99/22/270249922.db2.gz HYFFNIDAHWBKPF-SNVBAGLBSA-N 1 2 264.398 2.861 10 0 CFAELO CCn1c(C)nnc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000195084538 270249924 /nfs/dbraw/zinc/24/99/24/270249924.db2.gz HYFFNIDAHWBKPF-SNVBAGLBSA-N 1 2 264.398 2.861 10 0 CFAELO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000392380095 270306489 /nfs/dbraw/zinc/30/64/89/270306489.db2.gz REZUMFRXBHEFFF-WDEREUQCSA-N 1 2 274.368 2.924 10 0 CFAELO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1csc(C(C)(C)C)n1 ZINC000399198398 270327029 /nfs/dbraw/zinc/32/70/29/270327029.db2.gz MJKNFBYNRQZUJX-JQWIXIFHSA-N 1 2 268.426 2.786 10 0 CFAELO C[C@H]1CC[C@H](O)C[N@H+]1Cc1csc(C(C)(C)C)n1 ZINC000399198398 270327031 /nfs/dbraw/zinc/32/70/31/270327031.db2.gz MJKNFBYNRQZUJX-JQWIXIFHSA-N 1 2 268.426 2.786 10 0 CFAELO CC1(C)C[C@@H]([NH2+]Cc2ncc[nH]2)c2ccccc2O1 ZINC000126884531 278369541 /nfs/dbraw/zinc/36/95/41/278369541.db2.gz ANPYXPGNOOMJSL-GFCCVEGCSA-N 1 2 257.337 2.802 10 0 CFAELO CC(C)c1nc(N2CCC[C@@H]2c2cnn(C)c2)cc[nH+]1 ZINC000110537886 280592086 /nfs/dbraw/zinc/59/20/86/280592086.db2.gz KBNQQLMTEWHIAI-CYBMUJFWSA-N 1 2 271.368 2.675 10 0 CFAELO C[C@H]([NH2+][C@H]1CCCc2occc21)c1nnc2n1CCCC2 ZINC000192911368 290051226 /nfs/dbraw/zinc/05/12/26/290051226.db2.gz HEERCGGDRLHKNI-AAEUAGOBSA-N 1 2 286.379 2.936 10 0 CFAELO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(F)c(F)c1 ZINC000176687400 290051343 /nfs/dbraw/zinc/05/13/43/290051343.db2.gz JLAGBFQQEXPMJH-ZANVPECISA-N 1 2 278.306 2.742 10 0 CFAELO Cc1cccc2ncnc(N3CCC[C@@H]3Cn3cc[nH+]c3)c12 ZINC000176968437 302072425 /nfs/dbraw/zinc/07/24/25/302072425.db2.gz QBQDIBJONXRPDP-CQSZACIVSA-N 1 2 293.374 2.804 10 0 CFAELO CCc1cccc(CC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000161878244 322357746 /nfs/dbraw/zinc/35/77/46/322357746.db2.gz ZSVATWHXGUAZQB-QGZVFWFLSA-N 1 2 297.402 2.679 10 0 CFAELO CCn1cc[nH+]c1CN1CCCc2cc(F)ccc21 ZINC000171380079 322405109 /nfs/dbraw/zinc/40/51/09/322405109.db2.gz XORAVNAQIUACCF-UHFFFAOYSA-N 1 2 259.328 2.995 10 0 CFAELO CCc1nc(C[NH2+][C@H]2COc3ccccc32)cs1 ZINC000070070102 522359034 /nfs/dbraw/zinc/35/90/34/522359034.db2.gz MKMXXNYFEHJHQS-LBPRGKRZSA-N 1 2 260.362 2.929 10 0 CFAELO CC(C)(C)NC(=O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195367727 518726787 /nfs/dbraw/zinc/72/67/87/518726787.db2.gz XICRQGCBQKMHDX-LLVKDONJSA-N 1 2 281.425 2.585 10 0 CFAELO CC(C)(C)NC(=O)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195367727 518726794 /nfs/dbraw/zinc/72/67/94/518726794.db2.gz XICRQGCBQKMHDX-LLVKDONJSA-N 1 2 281.425 2.585 10 0 CFAELO CC(C)CCCOc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061520120 519642723 /nfs/dbraw/zinc/64/27/23/519642723.db2.gz HLTXXAKNHXSWRB-UHFFFAOYSA-N 1 2 281.747 2.526 10 0 CFAELO CC(C)n1nnnc1C[N@H+](Cc1ccccc1)C(C)C ZINC000195044214 519664481 /nfs/dbraw/zinc/66/44/81/519664481.db2.gz RZWANFRRMRBTNQ-UHFFFAOYSA-N 1 2 273.384 2.665 10 0 CFAELO CC(C)n1nnnc1C[N@@H+](Cc1ccccc1)C(C)C ZINC000195044214 519664485 /nfs/dbraw/zinc/66/44/85/519664485.db2.gz RZWANFRRMRBTNQ-UHFFFAOYSA-N 1 2 273.384 2.665 10 0 CFAELO CC(C)Oc1ncccc1C[NH2+]Cc1nccn1C(F)F ZINC000048760630 519785946 /nfs/dbraw/zinc/78/59/46/519785946.db2.gz SKBYJSKUMGOPKO-UHFFFAOYSA-N 1 2 296.321 2.750 10 0 CFAELO CCOCC[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195438049 519922469 /nfs/dbraw/zinc/92/24/69/519922469.db2.gz VWZGWRPXPACXET-LBPRGKRZSA-N 1 2 298.452 2.850 10 0 CFAELO CCOCC[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195438049 519922471 /nfs/dbraw/zinc/92/24/71/519922471.db2.gz VWZGWRPXPACXET-LBPRGKRZSA-N 1 2 298.452 2.850 10 0 CFAELO CC(C)n1cc[nH+]c1CSc1nnc(C2CC2)n1C ZINC000195516940 520035277 /nfs/dbraw/zinc/03/52/77/520035277.db2.gz UEMSRIGALJMPOC-UHFFFAOYSA-N 1 2 277.397 2.762 10 0 CFAELO CCCNc1[nH+]cccc1COCCOC(C)C ZINC000052754976 520197103 /nfs/dbraw/zinc/19/71/03/520197103.db2.gz PBZHOEOPUMFDQP-UHFFFAOYSA-N 1 2 252.358 2.845 10 0 CFAELO CCNc1cc(CC)[nH+]c(-c2ccc(OC)c(O)c2)n1 ZINC000050865153 520269402 /nfs/dbraw/zinc/26/94/02/520269402.db2.gz QCMWRIPHRJBMLH-UHFFFAOYSA-N 1 2 273.336 2.852 10 0 CFAELO CCNc1cc[nH+]c(-c2ccc3c(c2)CCN3C)n1 ZINC000050865684 520344084 /nfs/dbraw/zinc/34/40/84/520344084.db2.gz NUWPABMREHGMRW-UHFFFAOYSA-N 1 2 254.337 2.568 10 0 CFAELO CCOC(=O)CC[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000174242876 520686889 /nfs/dbraw/zinc/68/68/89/520686889.db2.gz SPXJZUDJNFFXQC-UHFFFAOYSA-N 1 2 295.383 2.505 10 0 CFAELO CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000246541686 520716095 /nfs/dbraw/zinc/71/60/95/520716095.db2.gz CSMAAUSNJZDJTR-HUUCEWRRSA-N 1 2 293.411 2.560 10 0 CFAELO CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000246541686 520716104 /nfs/dbraw/zinc/71/61/04/520716104.db2.gz CSMAAUSNJZDJTR-HUUCEWRRSA-N 1 2 293.411 2.560 10 0 CFAELO CCOC(=O)[C@@H](C)[NH2+][C@H]1CCCCc2ccccc21 ZINC000049368526 521028522 /nfs/dbraw/zinc/02/85/22/521028522.db2.gz QBLUPFWIHKVIRA-DOMZBBRYSA-N 1 2 261.365 2.995 10 0 CFAELO CCOC(=O)[C@H](C)[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000049370994 521214039 /nfs/dbraw/zinc/21/40/39/521214039.db2.gz PVYDBXUQZZNWDA-SMDDNHRTSA-N 1 2 277.364 2.614 10 0 CFAELO CCCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(C)o1 ZINC000182568962 521625592 /nfs/dbraw/zinc/62/55/92/521625592.db2.gz DVBARTBKJCGQIG-LLVKDONJSA-N 1 2 262.357 2.749 10 0 CFAELO COc1cc(-c2nc(N)c(C(C)C)c(C)[nH+]2)ccc1O ZINC000061687547 521901068 /nfs/dbraw/zinc/90/10/68/521901068.db2.gz CNFCYWLJUTYCPT-UHFFFAOYSA-N 1 2 273.336 2.872 10 0 CFAELO CCc1[nH+]c(-c2cccc(Cl)c2Cl)c(N)n1N ZINC000052838862 522148168 /nfs/dbraw/zinc/14/81/68/522148168.db2.gz LZSOGIKEMDRZPY-UHFFFAOYSA-N 1 2 271.151 2.715 10 0 CFAELO C[NH2+]Cc1noc([C@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000156765856 522160626 /nfs/dbraw/zinc/16/06/26/522160626.db2.gz RPTJYHZENOIUNS-YUMQZZPRSA-N 1 2 263.263 2.625 10 0 CFAELO CC[C@@H](C)SCCC[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000045553797 522274655 /nfs/dbraw/zinc/27/46/55/522274655.db2.gz OMBODQGAGNQEJB-RISCZKNCSA-N 1 2 273.442 2.982 10 0 CFAELO CCc1nc(C[NH2+][C@@H]2COc3ccccc32)cs1 ZINC000070070101 522353402 /nfs/dbraw/zinc/35/34/02/522353402.db2.gz MKMXXNYFEHJHQS-GFCCVEGCSA-N 1 2 260.362 2.929 10 0 CFAELO CNc1nc(-c2ccc3c(c2)OCO3)[nH+]c2c1CCCC2 ZINC000050865391 522677118 /nfs/dbraw/zinc/67/71/18/522677118.db2.gz DRAFUBGMAIAABU-UHFFFAOYSA-N 1 2 283.331 2.793 10 0 CFAELO CNc1snnc1C[NH+]1CCC(C(C)(C)C)CC1 ZINC000050814480 522732369 /nfs/dbraw/zinc/73/23/69/522732369.db2.gz ZORVILWCOPDTRR-UHFFFAOYSA-N 1 2 268.430 2.838 10 0 CFAELO COCc1ccccc1Nc1cc[nH+]c(C(N)=S)c1 ZINC000061812948 523127499 /nfs/dbraw/zinc/12/74/99/523127499.db2.gz JFFMVVLHXIVHQA-UHFFFAOYSA-N 1 2 273.361 2.606 10 0 CFAELO COc1ccc(Br)c2c(N)cc(C)[nH+]c12 ZINC000050871099 523485883 /nfs/dbraw/zinc/48/58/83/523485883.db2.gz ALHRQIOAPMDQDD-UHFFFAOYSA-N 1 2 267.126 2.897 10 0 CFAELO CCn1cc[nH+]c1CNc1ccc(-c2nnco2)cc1 ZINC000051921268 523542066 /nfs/dbraw/zinc/54/20/66/523542066.db2.gz KGAOWKOPTVFZAQ-UHFFFAOYSA-N 1 2 269.308 2.565 10 0 CFAELO CCn1cc[nH+]c1CNc1cc(C)ccc1NC(C)=O ZINC000124355565 523542124 /nfs/dbraw/zinc/54/21/24/523542124.db2.gz VURVOANGCFAJJV-UHFFFAOYSA-N 1 2 272.352 2.782 10 0 CFAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000195519652 523543807 /nfs/dbraw/zinc/54/38/07/523543807.db2.gz JXDYVSJFPXRGDB-UHFFFAOYSA-N 1 2 298.795 2.671 10 0 CFAELO CCn1cc[nH+]c1CSc1nc2sccc2c(N)n1 ZINC000052345226 523544260 /nfs/dbraw/zinc/54/42/60/523544260.db2.gz AJPRRORBIWIXSP-UHFFFAOYSA-N 1 2 291.405 2.782 10 0 CFAELO CCn1cc[nH+]c1CSCCOCC(F)(F)F ZINC000175313065 523545562 /nfs/dbraw/zinc/54/55/62/523545562.db2.gz JFCXKPLBIVRSDD-UHFFFAOYSA-N 1 2 268.304 2.715 10 0 CFAELO CN(c1cccc(F)c1)c1cc[nH+]c(C(N)=S)c1 ZINC000061813264 523645575 /nfs/dbraw/zinc/64/55/75/523645575.db2.gz TXBATLKPGXYFOH-UHFFFAOYSA-N 1 2 261.325 2.623 10 0 CFAELO CCc1cc(NC)nc(-c2ccc3c(c2)OCCCO3)[nH+]1 ZINC000050865117 523819957 /nfs/dbraw/zinc/81/99/57/523819957.db2.gz UXXCUDHDCHEPPP-UHFFFAOYSA-N 1 2 285.347 2.909 10 0 CFAELO COc1ccc(C)cc1Nc1cc[nH+]c(C(N)=S)c1 ZINC000061812052 523846352 /nfs/dbraw/zinc/84/63/52/523846352.db2.gz WAFMXAZPRXSVHM-UHFFFAOYSA-N 1 2 273.361 2.776 10 0 CFAELO COC(=O)[C@H]([NH2+]CCC(=O)c1ccc(Cl)cc1)C(C)C ZINC000062709705 523925630 /nfs/dbraw/zinc/92/56/30/523925630.db2.gz IHANSTANANOZHZ-CQSZACIVSA-N 1 2 297.782 2.700 10 0 CFAELO COC(=O)[C@H]([NH2+][C@@H](C)c1ccc(C)c(F)c1)C1CC1 ZINC000227771238 523931019 /nfs/dbraw/zinc/93/10/19/523931019.db2.gz ZDONOFPHCCWCPG-IINYFYTJSA-N 1 2 265.328 2.736 10 0 CFAELO COC(=O)[C@H]([NH2+][C@H]1CCCc2ccccc21)C(C)C ZINC000069150252 523932593 /nfs/dbraw/zinc/93/25/93/523932593.db2.gz RHEOWBRXJBUMHX-LSDHHAIUSA-N 1 2 261.365 2.851 10 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2.728 10 0 CFAELO Cc1cccc2nc(C[NH+]3CCC(c4ccn[nH]4)CC3)cn21 ZINC000195507540 524980627 /nfs/dbraw/zinc/98/06/27/524980627.db2.gz WGCHVOXKQPDNHH-UHFFFAOYSA-N 1 2 295.390 2.745 10 0 CFAELO C[C@H]1c2ccsc2CCN1c1cccc(CO)[nH+]1 ZINC000051042308 525131880 /nfs/dbraw/zinc/13/18/80/525131880.db2.gz ASYIKYDZOLNYAF-JTQLQIEISA-N 1 2 260.362 2.759 10 0 CFAELO COc1ccc2cc(Cn3cc(Cl)cn3)c(N)[nH+]c2c1 ZINC000050829739 525632671 /nfs/dbraw/zinc/63/26/71/525632671.db2.gz ZIPZWEHQQMJHRZ-UHFFFAOYSA-N 1 2 288.738 2.724 10 0 CFAELO C[C@@H]1[C@@H](C)CCCN1c1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000050566426 525644368 /nfs/dbraw/zinc/64/43/68/525644368.db2.gz FNUHMLKTOMANFM-WDEREUQCSA-N 1 2 289.448 2.829 10 0 CFAELO C[C@H](Nc1cc[nH+]c(C(N)=S)c1)c1ccccc1 ZINC000061811862 525672242 /nfs/dbraw/zinc/67/22/42/525672242.db2.gz TXERCQILNARVKA-JTQLQIEISA-N 1 2 257.362 2.889 10 0 CFAELO C[C@@H](Nc1cc[nH+]c(C(N)=S)c1)c1cccs1 ZINC000061812567 525721808 /nfs/dbraw/zinc/72/18/08/525721808.db2.gz SJLYKIIWFXDICT-MRVPVSSYSA-N 1 2 263.391 2.950 10 0 CFAELO Cc1cnc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)o1 ZINC000173697660 526016359 /nfs/dbraw/zinc/01/63/59/526016359.db2.gz LEEOSAADSOZCLU-CYBMUJFWSA-N 1 2 274.368 2.670 10 0 CFAELO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)o1 ZINC000173697660 526016366 /nfs/dbraw/zinc/01/63/66/526016366.db2.gz LEEOSAADSOZCLU-CYBMUJFWSA-N 1 2 274.368 2.670 10 0 CFAELO Cc1cnc(CNc2cc(C)[nH+]c(C(C)C)n2)cn1 ZINC000061321799 526048041 /nfs/dbraw/zinc/04/80/41/526048041.db2.gz HMOIKKSCYRJYSC-UHFFFAOYSA-N 1 2 257.341 2.619 10 0 CFAELO COc1cccc(Cc2nc(N)cc(C(C)(C)C)[nH+]2)c1 ZINC000050846057 526085413 /nfs/dbraw/zinc/08/54/13/526085413.db2.gz OYVISPHENHFHFH-UHFFFAOYSA-N 1 2 271.364 2.956 10 0 CFAELO Cc1csc([C@H]2CCC[N@H+](CC(=O)OC(C)(C)C)C2)n1 ZINC000195440887 526442905 /nfs/dbraw/zinc/44/29/05/526442905.db2.gz GXZHLPMGTXSZGC-LBPRGKRZSA-N 1 2 296.436 2.973 10 0 CFAELO Cc1csc([C@H]2CCC[N@@H+](CC(=O)OC(C)(C)C)C2)n1 ZINC000195440887 526442909 /nfs/dbraw/zinc/44/29/09/526442909.db2.gz GXZHLPMGTXSZGC-LBPRGKRZSA-N 1 2 296.436 2.973 10 0 CFAELO Cc1csc([C@H]2C[N@H+](CCOC(C)(C)C)CCO2)n1 ZINC000195396655 526443627 /nfs/dbraw/zinc/44/36/27/526443627.db2.gz ZKNRZPCFDIDNHT-GFCCVEGCSA-N 1 2 284.425 2.640 10 0 CFAELO Cc1csc([C@H]2C[N@@H+](CCOC(C)(C)C)CCO2)n1 ZINC000195396655 526443633 /nfs/dbraw/zinc/44/36/33/526443633.db2.gz ZKNRZPCFDIDNHT-GFCCVEGCSA-N 1 2 284.425 2.640 10 0 CFAELO NC(=S)c1cc(N2CCC[C@@H]2C2CCCC2)cc[nH+]1 ZINC000061813225 527114857 /nfs/dbraw/zinc/11/48/57/527114857.db2.gz QDVBLXCKIOYBME-CQSZACIVSA-N 1 2 275.421 2.875 10 0 CFAELO NC(=S)c1cc(N2CCC[C@H]2C2CCCC2)cc[nH+]1 ZINC000061813226 527115701 /nfs/dbraw/zinc/11/57/01/527115701.db2.gz QDVBLXCKIOYBME-AWEZNQCLSA-N 1 2 275.421 2.875 10 0 CFAELO NC(=S)c1cc(NCc2ccccc2Cl)cc[nH+]1 ZINC000061811995 527116546 /nfs/dbraw/zinc/11/65/46/527116546.db2.gz YQPFWNXBNMQDEY-UHFFFAOYSA-N 1 2 277.780 2.981 10 0 CFAELO Cc1[nH+]c2cc(C(=O)[O-])ccc2n1[C@H](C)C[NH+]1CCCC1 ZINC000049185666 527119166 /nfs/dbraw/zinc/11/91/66/527119166.db2.gz SRIXZSKQDBCQRB-LLVKDONJSA-N 1 2 287.363 2.700 10 0 CFAELO Cc1[nH+]c2cc(C(=O)[O-])ccc2n1[C@H](C)CC[NH+](C)C ZINC000049559457 527119258 /nfs/dbraw/zinc/11/92/58/527119258.db2.gz AZPHYHJYPWECEI-SNVBAGLBSA-N 1 2 275.352 2.556 10 0 CFAELO Cc1nc2n(n1)CCC[C@@H]2Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000081018323 527187427 /nfs/dbraw/zinc/18/74/27/527187427.db2.gz AZCNDRCTTRZOFK-LBPRGKRZSA-N 1 2 284.367 2.509 10 0 CFAELO OCc1ccc[nH+]c1N1CC[C@@H](c2ccccc2)C1 ZINC000050600496 527637512 /nfs/dbraw/zinc/63/75/12/527637512.db2.gz NKBCTQIBBQKHRT-CQSZACIVSA-N 1 2 254.333 2.568 10 0 CFAELO CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000174760271 528146142 /nfs/dbraw/zinc/14/61/42/528146142.db2.gz LOOVOHMSXNIIPK-HZPDHXFCSA-N 1 2 297.402 2.996 10 0 CFAELO CC(C)n1nnnc1C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000179562469 528701789 /nfs/dbraw/zinc/70/17/89/528701789.db2.gz RWWWBAPTEKVTSO-SECBINFHSA-N 1 2 297.765 2.897 10 0 CFAELO CC[C@H](C)CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000191642895 536115494 /nfs/dbraw/zinc/11/54/94/536115494.db2.gz RQSHNXZGZAEGNZ-LBPRGKRZSA-N 1 2 277.412 2.864 10 0 CFAELO CCOC(C[NH2+][C@@H](C)c1csc(C)n1)OCC ZINC000093446917 617842768 /nfs/dbraw/zinc/84/27/68/617842768.db2.gz WPXWTIVGHNDUPA-VIFPVBQESA-N 1 2 258.387 2.501 10 0 CFAELO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)c1cn(C)nn1 ZINC000902841727 621189650 /nfs/dbraw/zinc/18/96/50/621189650.db2.gz RKTHLMQQFBWQAR-DGCLKSJQSA-N 1 2 286.379 2.768 10 0 CFAELO CC[N@H+](C)[C@H](C(=O)O[C@@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000183439011 625491747 /nfs/dbraw/zinc/49/17/47/625491747.db2.gz ZBPYCJZRQNBMCD-IMJJTQAJSA-N 1 2 291.391 2.648 10 0 CFAELO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000183439011 625491750 /nfs/dbraw/zinc/49/17/50/625491750.db2.gz ZBPYCJZRQNBMCD-IMJJTQAJSA-N 1 2 291.391 2.648 10 0 CFAELO Oc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1F ZINC000232449920 623412001 /nfs/dbraw/zinc/41/20/01/623412001.db2.gz 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ASWZUVRGLREZFB-NOZJJQNGSA-N 1 2 278.306 2.742 10 0 CFAELO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(F)c(F)c1 ZINC000176687416 189004402 /nfs/dbraw/zinc/00/44/02/189004402.db2.gz JLAGBFQQEXPMJH-RNCFNFMXSA-N 1 2 278.306 2.742 10 0 CFAELO CCc1nc(C[S@@](=O)Cc2[nH+]ccn2C(C)C)cs1 ZINC000176831704 189010905 /nfs/dbraw/zinc/01/09/05/189010905.db2.gz XGAXDIIHAWXKOD-LJQANCHMSA-N 1 2 297.449 2.932 10 0 CFAELO CCCCSCCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177797139 189070372 /nfs/dbraw/zinc/07/03/72/189070372.db2.gz XBVUPWLQMQWZFZ-CQSZACIVSA-N 1 2 295.452 2.798 10 0 CFAELO Cc1cccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1C ZINC000177798824 189070461 /nfs/dbraw/zinc/07/04/61/189070461.db2.gz WPEVCIMZGAPAMU-OAHLLOKOSA-N 1 2 283.375 2.805 10 0 CFAELO CCCCS[C@H](C)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177773311 189068700 /nfs/dbraw/zinc/06/87/00/189068700.db2.gz MVEVFQUGQVBZGY-ZIAGYGMSSA-N 1 2 295.452 2.796 10 0 CFAELO CCc1nc(CN[C@H](C)c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000180669860 189269233 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C[C@@H]([NH2+][C@@H](C)C(N)=O)c1c(Cl)ccc(F)c1Cl ZINC000035793086 372551177 /nfs/dbraw/zinc/55/11/77/372551177.db2.gz FGJSORIXWVHCKZ-RITPCOANSA-N 1 2 279.142 2.657 10 0 CFAELO CCNC(=O)C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000036780417 372591548 /nfs/dbraw/zinc/59/15/48/372591548.db2.gz JGLICTZTEUQEHN-ZETCQYMHSA-N 1 2 293.169 2.919 10 0 CFAELO C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)c1nncn1C ZINC000037017440 372634115 /nfs/dbraw/zinc/63/41/15/372634115.db2.gz MZOBGUVCIQFFJC-VHSXEESVSA-N 1 2 296.321 2.828 10 0 CFAELO COC(=O)[C@@H]([NH2+]CC(C)C)c1ccc(Cl)cc1 ZINC000037965920 372739179 /nfs/dbraw/zinc/73/91/79/372739179.db2.gz XSYMZQORSDFSKA-LBPRGKRZSA-N 1 2 255.745 2.800 10 0 CFAELO CCn1cc[nH+]c1CNc1cc(C(=O)OC)c(F)cc1F ZINC000051922859 373420754 /nfs/dbraw/zinc/42/07/54/373420754.db2.gz GZBNOPWLKOJITQ-UHFFFAOYSA-N 1 2 295.289 2.580 10 0 CFAELO CCn1c(C)nnc1C[NH+]1CCC(OCCC(C)C)CC1 ZINC000195083606 220227616 /nfs/dbraw/zinc/22/76/16/220227616.db2.gz JHJCOQFXIFOXFT-UHFFFAOYSA-N 1 2 294.443 2.634 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380100758 /nfs/dbraw/zinc/10/07/58/380100758.db2.gz DJHBSRZZYDCLAQ-IBGZPJMESA-N 1 2 297.449 2.720 10 0 CFAELO CCCCC[C@@H](CC)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000181083414 380735665 /nfs/dbraw/zinc/73/56/65/380735665.db2.gz SMPHVEVMURFIMF-HZPDHXFCSA-N 1 2 296.455 2.526 10 0 CFAELO C[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1cccc(F)c1F ZINC000181950468 380945178 /nfs/dbraw/zinc/94/51/78/380945178.db2.gz BPTAQUOHOCJIFM-VIFPVBQESA-N 1 2 292.333 2.822 10 0 CFAELO CC(C)CCCS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000182439013 381089713 /nfs/dbraw/zinc/08/97/13/381089713.db2.gz VGUPPJAJOCQTKU-UHFFFAOYSA-N 1 2 272.414 2.815 10 0 CFAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)no1 ZINC000183170238 381224499 /nfs/dbraw/zinc/22/44/99/381224499.db2.gz JQZMJGIZTURTDI-ZDUSSCGKSA-N 1 2 289.383 2.617 10 0 CFAELO CC(C)c1nc([C@@H]2CCCN2CCCn2cc[nH+]c2)no1 ZINC000183170238 381224515 /nfs/dbraw/zinc/22/45/15/381224515.db2.gz JQZMJGIZTURTDI-ZDUSSCGKSA-N 1 2 289.383 2.617 10 0 CFAELO 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264.369 2.552 10 0 CFAELO CCc1[nH+]c(C)ccc1OCc1nnc(C2CC2)n1C ZINC000190776656 382680180 /nfs/dbraw/zinc/68/01/80/382680180.db2.gz WTFIRTGUQLEPFH-UHFFFAOYSA-N 1 2 272.352 2.537 10 0 CFAELO Cc1ccc([C@H]2CCCC[N@H+]2Cc2nc(N(C)C)no2)o1 ZINC000192727353 382711697 /nfs/dbraw/zinc/71/16/97/382711697.db2.gz MBCBSCXRBARELV-GFCCVEGCSA-N 1 2 290.367 2.764 10 0 CFAELO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2nc(N(C)C)no2)o1 ZINC000192727353 382711698 /nfs/dbraw/zinc/71/16/98/382711698.db2.gz MBCBSCXRBARELV-GFCCVEGCSA-N 1 2 290.367 2.764 10 0 CFAELO Brc1sccc1[C@H]1[NH2+]CCS1 ZINC000575451115 382772275 /nfs/dbraw/zinc/77/22/75/382772275.db2.gz HSNSYYCVFCZZGR-ZETCQYMHSA-N 1 2 250.186 2.846 10 0 CFAELO Cc1[nH+]c2ccccc2n1-c1ccc2[nH]c(=O)[nH]c2c1 ZINC000575602744 382774856 /nfs/dbraw/zinc/77/48/56/382774856.db2.gz WHCCWNXRJXBHSS-UHFFFAOYSA-N 1 2 264.288 2.916 10 0 CFAELO COC(=O)[C@H]1CCC[N@@H+]1Cc1cnc(-c2ccco2)s1 ZINC000194321260 382740165 /nfs/dbraw/zinc/74/01/65/382740165.db2.gz GJIXYBDITPXYAK-LLVKDONJSA-N 1 2 292.360 2.541 10 0 CFAELO COC(=O)[C@H]1CCC[N@H+]1Cc1cnc(-c2ccco2)s1 ZINC000194321260 382740168 /nfs/dbraw/zinc/74/01/68/382740168.db2.gz GJIXYBDITPXYAK-LLVKDONJSA-N 1 2 292.360 2.541 10 0 CFAELO CC(C)n1nnnc1C[NH2+][C@H](C)c1ccccc1Cl ZINC000195024087 382760065 /nfs/dbraw/zinc/76/00/65/382760065.db2.gz NAYHOEJMQTURIE-SNVBAGLBSA-N 1 2 279.775 2.758 10 0 CFAELO COc1cccc2c1cc[nH+]c2N[C@H]1CCCC[C@H]1O ZINC000235045043 382876256 /nfs/dbraw/zinc/87/62/56/382876256.db2.gz SJPUOUKYMQHRCJ-UONOGXRCSA-N 1 2 272.348 2.959 10 0 CFAELO Cc1cccn2c(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)cnc12 ZINC000245548952 383005384 /nfs/dbraw/zinc/00/53/84/383005384.db2.gz YLHVUZSZVMYQPM-HZPDHXFCSA-N 1 2 285.391 2.786 10 0 CFAELO Cc1cccn2c(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)cnc12 ZINC000245548952 383005387 /nfs/dbraw/zinc/00/53/87/383005387.db2.gz YLHVUZSZVMYQPM-HZPDHXFCSA-N 1 2 285.391 2.786 10 0 CFAELO Cc1cccn2c(CN3CCO[C@@H]4CCCC[C@H]43)c[nH+]c12 ZINC000245548952 383005390 /nfs/dbraw/zinc/00/53/90/383005390.db2.gz YLHVUZSZVMYQPM-HZPDHXFCSA-N 1 2 285.391 2.786 10 0 CFAELO C(c1noc2c1CCCC2)[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000246316309 383072282 /nfs/dbraw/zinc/07/22/82/383072282.db2.gz ZDFGZZZKTQOPCB-GDBMZVCRSA-N 1 2 276.380 2.697 10 0 CFAELO C(c1noc2c1CCCC2)[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000246316309 383072285 /nfs/dbraw/zinc/07/22/85/383072285.db2.gz ZDFGZZZKTQOPCB-GDBMZVCRSA-N 1 2 276.380 2.697 10 0 CFAELO CCCC[C@H](CC)C[N@@H+]1CCOC[C@H]1c1nc(C)no1 ZINC000249375094 383342241 /nfs/dbraw/zinc/34/22/41/383342241.db2.gz YAUBRMXFOZYVQK-KBPBESRZSA-N 1 2 281.400 2.968 10 0 CFAELO CCCC[C@H](CC)C[N@H+]1CCOC[C@H]1c1nc(C)no1 ZINC000249375094 383342244 /nfs/dbraw/zinc/34/22/44/383342244.db2.gz YAUBRMXFOZYVQK-KBPBESRZSA-N 1 2 281.400 2.968 10 0 CFAELO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCC[C@H]2c2ccco2)n1 ZINC000248788668 383290646 /nfs/dbraw/zinc/29/06/46/383290646.db2.gz WXXONBCTLXSLJA-RYUDHWBXSA-N 1 2 273.336 2.982 10 0 CFAELO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CCC[C@H]2c2ccco2)n1 ZINC000248788668 383290651 /nfs/dbraw/zinc/29/06/51/383290651.db2.gz WXXONBCTLXSLJA-RYUDHWBXSA-N 1 2 273.336 2.982 10 0 CFAELO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1cncs1 ZINC000252741190 383432027 /nfs/dbraw/zinc/43/20/27/383432027.db2.gz QLRGUSAOEAOMFX-OLZOCXBDSA-N 1 2 265.426 2.592 10 0 CFAELO CC[C@@H]1CN2CCCC[C@H]2C[N@H+]1Cc1cncs1 ZINC000252741190 383432028 /nfs/dbraw/zinc/43/20/28/383432028.db2.gz QLRGUSAOEAOMFX-OLZOCXBDSA-N 1 2 265.426 2.592 10 0 CFAELO CCn1ncc(C[N@H+](C)Cc2[nH]cc(C)c(=O)c2C)c1C ZINC000253536924 383462038 /nfs/dbraw/zinc/46/20/38/383462038.db2.gz QQRKFTAWKLCFSA-UHFFFAOYSA-N 1 2 288.395 2.561 10 0 CFAELO CCn1ncc(C[N@@H+](C)Cc2[nH]cc(C)c(=O)c2C)c1C ZINC000253536924 383462044 /nfs/dbraw/zinc/46/20/44/383462044.db2.gz QQRKFTAWKLCFSA-UHFFFAOYSA-N 1 2 288.395 2.561 10 0 CFAELO CC(C)n1cc[nH+]c1CNc1ccc(Cl)c(C(N)=O)c1 ZINC000268154306 384547418 /nfs/dbraw/zinc/54/74/18/384547418.db2.gz LQZTXJRVRQAKKO-UHFFFAOYSA-N 1 2 292.770 2.828 10 0 CFAELO CCc1cc(N2CCCC[C@@H]2c2cn[nH]c2)nc(C)[nH+]1 ZINC000272890308 385642755 /nfs/dbraw/zinc/64/27/55/385642755.db2.gz NSBHKEGFKHKMOZ-CQSZACIVSA-N 1 2 271.368 2.802 10 0 CFAELO Cn1c2c([nH+]c1[C@H]1CCCN1Cc1ccon1)CCCC2 ZINC000275901707 385980497 /nfs/dbraw/zinc/98/04/97/385980497.db2.gz IOUHSSZAFDVCGX-OAHLLOKOSA-N 1 2 286.379 2.624 10 0 CFAELO CCOC(=O)c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)o1 ZINC000245540156 131086302 /nfs/dbraw/zinc/08/63/02/131086302.db2.gz LWLZBQRXPLPVHK-KGLIPLIRSA-N 1 2 293.363 2.600 10 0 CFAELO CCOC(=O)c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)o1 ZINC000245540156 131086304 /nfs/dbraw/zinc/08/63/04/131086304.db2.gz LWLZBQRXPLPVHK-KGLIPLIRSA-N 1 2 293.363 2.600 10 0 CFAELO C[C@@H]1C[N@@H+](Cc2ccc(N)cc2Br)C[C@H](C)O1 ZINC000037515879 393531906 /nfs/dbraw/zinc/53/19/06/393531906.db2.gz CBNCMHBLDWTWBG-AOOOYVTPSA-N 1 2 299.212 2.641 10 0 CFAELO C[C@@H]1C[N@H+](Cc2ccc(N)cc2Br)C[C@H](C)O1 ZINC000037515879 393531910 /nfs/dbraw/zinc/53/19/10/393531910.db2.gz CBNCMHBLDWTWBG-AOOOYVTPSA-N 1 2 299.212 2.641 10 0 CFAELO COc1ccc[nH+]c1N[C@@H]1CNc2ccccc2C1 ZINC000404485703 393620419 /nfs/dbraw/zinc/62/04/19/393620419.db2.gz KNXNZMZLXJBVRC-LBPRGKRZSA-N 1 2 255.321 2.539 10 0 CFAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1nc2ccccc2s1 ZINC000077371172 393699083 /nfs/dbraw/zinc/69/90/83/393699083.db2.gz QDNCNJUBHFXWSZ-GHMZBOCLSA-N 1 2 262.378 2.906 10 0 CFAELO CCn1cc[nH+]c1CSc1nnc(C2CC2)s1 ZINC000080619005 393727355 /nfs/dbraw/zinc/72/73/55/393727355.db2.gz AWVZGFLWGNLNSI-UHFFFAOYSA-N 1 2 266.395 2.924 10 0 CFAELO CCC[C@@H](C(=O)Nc1[nH]nc2c1cccc2Cl)[NH+](C)C ZINC000129060639 394081443 /nfs/dbraw/zinc/08/14/43/394081443.db2.gz JOFRWXYCRNDHLS-NSHDSACASA-N 1 2 294.786 2.885 10 0 CFAELO C[C@H]1CC[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)O1 ZINC000133917254 394184692 /nfs/dbraw/zinc/18/46/92/394184692.db2.gz DNJWUJUYIKKSDB-HZMBPMFUSA-N 1 2 289.310 2.517 10 0 CFAELO CCC[C@@H]([NH2+][C@H](COC)C(C)C)C(=O)OC(C)(C)C ZINC000157476387 394346118 /nfs/dbraw/zinc/34/61/18/394346118.db2.gz PVHWDDZQXHYXCR-CHWSQXEVSA-N 1 2 273.417 2.757 10 0 CFAELO C[C@@H]([NH2+]Cc1nccc(N)n1)c1ccc(F)c(Cl)c1 ZINC000180733830 543015906 /nfs/dbraw/zinc/01/59/06/543015906.db2.gz HFPOFLKPIHSERP-MRVPVSSYSA-N 1 2 280.734 2.702 10 0 CFAELO Cc1cc(C)c(NC(=O)[C@H]2CCCO[C@@H]2C)c(C)[nH+]1 ZINC000191864133 543080115 /nfs/dbraw/zinc/08/01/15/543080115.db2.gz ORVUDXXRHRYANL-OLZOCXBDSA-N 1 2 262.353 2.760 10 0 CFAELO Cc1ccc([C@H](C)NC(=O)CCc2c[nH+]cn2C)cc1F ZINC000193498813 543090040 /nfs/dbraw/zinc/09/00/40/543090040.db2.gz ODABXSMYZCVNDF-LBPRGKRZSA-N 1 2 289.354 2.678 10 0 CFAELO CCc1nnc(C[NH2+][C@@H](C)c2c(C)nn(CC)c2C)s1 ZINC000353562875 163395219 /nfs/dbraw/zinc/39/52/19/163395219.db2.gz SDYQSZOXHPXQQS-VIFPVBQESA-N 1 2 293.440 2.785 10 0 CFAELO COc1cc(NC2=[NH+]CCCS2)cc(OC)c1 ZINC000008702129 170347204 /nfs/dbraw/zinc/34/72/04/170347204.db2.gz LNHNMWRJTRUVEY-UHFFFAOYSA-N 1 2 252.339 2.609 10 0 CFAELO COc1ccc([NH2+]C2CCC3(CC2)OCCO3)c(OC)c1 ZINC000019903461 170915308 /nfs/dbraw/zinc/91/53/08/170915308.db2.gz MMAPIKQDNSMJMH-UHFFFAOYSA-N 1 2 293.363 2.801 10 0 CFAELO Nc1cccc(Cl)c1NCCCn1cc[nH+]c1 ZINC000020506322 171229043 /nfs/dbraw/zinc/22/90/43/171229043.db2.gz WLLCYBLEPVZBDI-UHFFFAOYSA-N 1 2 250.733 2.621 10 0 CFAELO C[C@@H]1CCCC[C@H]1[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000021512918 171311097 /nfs/dbraw/zinc/31/10/97/171311097.db2.gz AWSGQNGRVJOHHQ-BXUZGUMPSA-N 1 2 257.341 2.653 10 0 CFAELO Nc1cc(NC(=O)CCCn2cc[nH+]c2)ccc1Cl ZINC000022173890 171369138 /nfs/dbraw/zinc/36/91/38/171369138.db2.gz LSKJQNTYHIFFTJ-UHFFFAOYSA-N 1 2 278.743 2.538 10 0 CFAELO COC(=O)[C@@H]([NH2+][C@H](c1ccc(OC)cc1)C1CC1)C(C)C ZINC000035224704 172069387 /nfs/dbraw/zinc/06/93/87/172069387.db2.gz BVYIQSRDIRBXOK-HOTGVXAUSA-N 1 2 291.391 2.934 10 0 CFAELO CC[C@H]([NH2+]C(C)(C)C(=O)OC)c1ccc(F)cc1 ZINC000037085583 172943336 /nfs/dbraw/zinc/94/33/36/172943336.db2.gz BLJMTITYHMHPGB-LBPRGKRZSA-N 1 2 253.317 2.818 10 0 CFAELO Nc1ccc(SCc2cn3ccccc3[nH+]2)nc1 ZINC000037191824 173021012 /nfs/dbraw/zinc/02/10/12/173021012.db2.gz XTLXBAANSQFGRW-UHFFFAOYSA-N 1 2 256.334 2.604 10 0 CFAELO Oc1cc2ccccc2cc1OCCn1cc[nH+]c1 ZINC000037324332 173124886 /nfs/dbraw/zinc/12/48/86/173124886.db2.gz GTYBLNRXKVWEJU-UHFFFAOYSA-N 1 2 254.289 2.821 10 0 CFAELO COc1c(C)c[nH+]c(COc2cccc(O)c2)c1C ZINC000037324267 173125172 /nfs/dbraw/zinc/12/51/72/173125172.db2.gz FPOMDYOIYZVPAX-UHFFFAOYSA-N 1 2 259.305 2.992 10 0 CFAELO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)c1cc(F)ccc1O ZINC000037333372 173134793 /nfs/dbraw/zinc/13/47/93/173134793.db2.gz KHVOQRIOJLTZTI-QWRGUYRKSA-N 1 2 265.328 2.977 10 0 CFAELO CC[NH2+][C@](C)(C(=O)OCC)c1c(C)cc(C)cc1C ZINC000037447105 173214397 /nfs/dbraw/zinc/21/43/97/173214397.db2.gz RTDZOUOZTRGGQF-INIZCTEOSA-N 1 2 263.381 3.000 10 0 CFAELO CC[NH2+][C@@]1(C(=O)OC)CCC(C)(C)c2ccccc21 ZINC000037447023 173214432 /nfs/dbraw/zinc/21/44/32/173214432.db2.gz KDHHSZFVQDTIJZ-INIZCTEOSA-N 1 2 261.365 2.736 10 0 CFAELO CC[NH2+][C@@](C)(C(=O)OCC)c1c(C)cc(C)cc1C ZINC000037447106 173214505 /nfs/dbraw/zinc/21/45/05/173214505.db2.gz RTDZOUOZTRGGQF-MRXNPFEDSA-N 1 2 263.381 3.000 10 0 CFAELO C[C@H]([NH2+][C@@H]1CCNC1=O)c1cc(Cl)sc1Cl ZINC000658053697 414136913 /nfs/dbraw/zinc/13/69/13/414136913.db2.gz MNLKORUXNIJCDO-CAHLUQPWSA-N 1 2 279.192 2.594 10 0 CFAELO CC[C@@H](C)[NH2+][C@H](C(=O)OC)c1cc(C)c(O)c(C)c1 ZINC000038067250 174079059 /nfs/dbraw/zinc/07/90/59/174079059.db2.gz LBPUFILVATWRGE-YPMHNXCESA-N 1 2 265.353 2.611 10 0 CFAELO CCOC(=O)[C@@](C)([NH2+][C@H](C)CC)c1ccc(F)cc1 ZINC000038067374 174079458 /nfs/dbraw/zinc/07/94/58/174079458.db2.gz RMMYLGYKHUPHTA-ABAIWWIYSA-N 1 2 267.344 2.992 10 0 CFAELO CCOC(=O)[C@](C)([NH2+][C@H](C)CC)c1ccc(O)cc1 ZINC000038067748 174079970 /nfs/dbraw/zinc/07/99/70/174079970.db2.gz UGCNJFWZFSXVQJ-IAQYHMDHSA-N 1 2 265.353 2.559 10 0 CFAELO CCCNC(=O)Cn1c2ccccc2[nH+]c1C(C)C ZINC000040295622 174223649 /nfs/dbraw/zinc/22/36/49/174223649.db2.gz XEOAVTGBUQJTBV-UHFFFAOYSA-N 1 2 259.353 2.686 10 0 CFAELO Cc1nc(C[NH2+]Cc2cn(C)nc2C(C)C)cs1 ZINC000040443894 174264106 /nfs/dbraw/zinc/26/41/06/174264106.db2.gz RGVPIODRDZNUIG-UHFFFAOYSA-N 1 2 264.398 2.598 10 0 CFAELO Cc1csc2nc(C)c(C[NH2+]Cc3nccs3)n12 ZINC000040445422 174265137 /nfs/dbraw/zinc/26/51/37/174265137.db2.gz QWJZTVBPRLBLRP-UHFFFAOYSA-N 1 2 278.406 2.759 10 0 CFAELO O=Cc1cccc(Br)c1OCC[NH+]1CCCC1 ZINC000040541787 174322852 /nfs/dbraw/zinc/32/28/52/174322852.db2.gz PCCHQSNDUNFECK-UHFFFAOYSA-N 1 2 298.180 2.736 10 0 CFAELO CC(C)Nc1[nH+]cnc(N2CCc3ccccc32)c1N ZINC000040687279 174375931 /nfs/dbraw/zinc/37/59/31/174375931.db2.gz FUYIGWAAASFIEB-UHFFFAOYSA-N 1 2 269.352 2.573 10 0 CFAELO Cc1ccc(Nc2ncnc(-n3cc[nH+]c3)c2N)cc1C ZINC000040703088 174378791 /nfs/dbraw/zinc/37/87/91/174378791.db2.gz PQONYLYXPPUUQT-UHFFFAOYSA-N 1 2 280.335 2.605 10 0 CFAELO CCCNc1nc[nH+]c(Nc2cccc(C)c2)c1N ZINC000040707774 174380223 /nfs/dbraw/zinc/38/02/23/174380223.db2.gz AMNFAYYEPNTWNX-UHFFFAOYSA-N 1 2 257.341 2.933 10 0 CFAELO CCCNc1[nH+]cnc(Nc2cc(F)ccc2F)c1N ZINC000040707926 174380391 /nfs/dbraw/zinc/38/03/91/174380391.db2.gz RTZLHNATNHOUAM-UHFFFAOYSA-N 1 2 279.294 2.903 10 0 CFAELO CC(C)Nc1[nH+]cnc(Nc2cc(F)ccc2F)c1N ZINC000040708324 174380397 /nfs/dbraw/zinc/38/03/97/174380397.db2.gz HADXMSOTZPHYGY-UHFFFAOYSA-N 1 2 279.294 2.901 10 0 CFAELO CCN(CC)c1nc[nH+]c(Nc2ccc(OC)cc2)c1N ZINC000040723235 174385351 /nfs/dbraw/zinc/38/53/51/174385351.db2.gz BCLKJLQQGBVHIN-UHFFFAOYSA-N 1 2 287.367 2.657 10 0 CFAELO CCN(CC)c1[nH+]cnc(Nc2cccnc2Cl)c1N ZINC000040723374 174385900 /nfs/dbraw/zinc/38/59/00/174385900.db2.gz ZNWAWOZCOCLNDS-UHFFFAOYSA-N 1 2 292.774 2.697 10 0 CFAELO Cc1ccc(C(N)=S)c(N(C)Cc2cccs2)[nH+]1 ZINC000043396660 175036072 /nfs/dbraw/zinc/03/60/72/175036072.db2.gz VINQXEMUKQPDJC-UHFFFAOYSA-N 1 2 277.418 2.722 10 0 CFAELO Cc1ccc(C(N)=S)c(NCCc2cccc(F)c2)[nH+]1 ZINC000043396690 175036123 /nfs/dbraw/zinc/03/61/23/175036123.db2.gz XUKJAGMEOATZEE-UHFFFAOYSA-N 1 2 289.379 2.818 10 0 CFAELO Cc1ccc(C(N)=S)c(NCCc2cccs2)[nH+]1 ZINC000043396436 175036414 /nfs/dbraw/zinc/03/64/14/175036414.db2.gz XORKCGIWJYWFBT-UHFFFAOYSA-N 1 2 277.418 2.740 10 0 CFAELO CCC[C@H](C)N(C)c1[nH+]c(C)ccc1C(N)=S ZINC000043396701 175036456 /nfs/dbraw/zinc/03/64/56/175036456.db2.gz FLBQTDOUHSZWPY-JTQLQIEISA-N 1 2 251.399 2.649 10 0 CFAELO O=C(Cc1ccc(F)cc1)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043426513 175040477 /nfs/dbraw/zinc/04/04/77/175040477.db2.gz UVSVJOGCBKDZJD-DLBZAZTESA-N 1 2 291.366 2.581 10 0 CFAELO O=C(Cc1ccc(F)cc1)C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043426513 175040479 /nfs/dbraw/zinc/04/04/79/175040479.db2.gz UVSVJOGCBKDZJD-DLBZAZTESA-N 1 2 291.366 2.581 10 0 CFAELO Cc1cc(=O)oc2cc(Oc3cc(N)cc[nH+]3)ccc12 ZINC000043569421 175067421 /nfs/dbraw/zinc/06/74/21/175067421.db2.gz QYDSMAZVZLUOIZ-UHFFFAOYSA-N 1 2 268.272 2.871 10 0 CFAELO CCOC(=O)[C@@H](C)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000043614997 175079889 /nfs/dbraw/zinc/07/98/89/175079889.db2.gz ZPFAKKVPWKIRIU-QMMMGPOBSA-N 1 2 268.263 2.514 10 0 CFAELO COC(=O)[C@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000043626475 175081889 /nfs/dbraw/zinc/08/18/89/175081889.db2.gz PUASUECMEJPIBQ-QMMMGPOBSA-N 1 2 276.163 2.687 10 0 CFAELO COc1cccc([C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000044125475 175143812 /nfs/dbraw/zinc/14/38/12/175143812.db2.gz FLDKNYOYZGVKHY-INIZCTEOSA-N 1 2 263.381 2.995 10 0 CFAELO CCOc1ccc([C@H](C)O)cc1C[N@@H+]1CCOCC1(C)C ZINC000044178321 175150802 /nfs/dbraw/zinc/15/08/02/175150802.db2.gz DGLGYGJCIVCASW-ZDUSSCGKSA-N 1 2 293.407 2.749 10 0 CFAELO CCOc1ccc([C@H](C)O)cc1C[N@H+]1CCOCC1(C)C ZINC000044178321 175150804 /nfs/dbraw/zinc/15/08/04/175150804.db2.gz DGLGYGJCIVCASW-ZDUSSCGKSA-N 1 2 293.407 2.749 10 0 CFAELO CCN(CC)c1nc(N)cc(-c2ccc(C)cc2)[nH+]1 ZINC000044263283 175157103 /nfs/dbraw/zinc/15/71/03/175157103.db2.gz BMXQIIISOVYZDQ-UHFFFAOYSA-N 1 2 256.353 2.880 10 0 CFAELO CCN(CC)c1nc(N)cc(-c2cccc(OC)c2)[nH+]1 ZINC000044263346 175157340 /nfs/dbraw/zinc/15/73/40/175157340.db2.gz VANCBELZGDVVNZ-UHFFFAOYSA-N 1 2 272.352 2.581 10 0 CFAELO C[N@@H+]1CCCC[C@@H]1Cn1c(=O)c2ccsc2[nH]c1=S ZINC000044563848 175207694 /nfs/dbraw/zinc/20/76/94/175207694.db2.gz SVTXARSLMGBITN-SECBINFHSA-N 1 2 295.433 2.605 10 0 CFAELO C[N@H+]1CCCC[C@@H]1Cn1c(=O)c2ccsc2[nH]c1=S ZINC000044563848 175207696 /nfs/dbraw/zinc/20/76/96/175207696.db2.gz SVTXARSLMGBITN-SECBINFHSA-N 1 2 295.433 2.605 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H]2CCC[C@H](C)C2)c1N ZINC000044590502 175211926 /nfs/dbraw/zinc/21/19/26/175211926.db2.gz XLHMENIUKCIZTM-GXSJLCMTSA-N 1 2 265.357 2.702 10 0 CFAELO CCOC(=O)c1[nH+]c(CC)n(CCc2cccs2)c1N ZINC000044589751 175212076 /nfs/dbraw/zinc/21/20/76/175212076.db2.gz UNUFADQROYXLMZ-UHFFFAOYSA-N 1 2 293.392 2.509 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n(C2CCC(C)CC2)c1N ZINC000044589793 175212153 /nfs/dbraw/zinc/21/21/53/175212153.db2.gz OPKJNECNMNDYDR-UHFFFAOYSA-N 1 2 265.357 2.702 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H]2CCC[C@H](C)C2)c1N ZINC000044590504 175212156 /nfs/dbraw/zinc/21/21/56/175212156.db2.gz XLHMENIUKCIZTM-ONGXEEELSA-N 1 2 265.357 2.702 10 0 CFAELO CC(C)Cc1noc([C@@H]2[NH2+]CCc3sccc32)n1 ZINC000044592949 175214280 /nfs/dbraw/zinc/21/42/80/175214280.db2.gz ZXTXKJKNBAULKU-GFCCVEGCSA-N 1 2 263.366 2.565 10 0 CFAELO Cc1cccnc1-c1noc([C@H]2[NH2+]CCc3sccc32)n1 ZINC000044593006 175214283 /nfs/dbraw/zinc/21/42/83/175214283.db2.gz WXZMBDZRABVOIM-ZDUSSCGKSA-N 1 2 298.371 2.737 10 0 CFAELO COc1ncnc(OC)c1C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000044729664 175239654 /nfs/dbraw/zinc/23/96/54/175239654.db2.gz LSMZPPPMTNPYTG-JTQLQIEISA-N 1 2 291.351 2.554 10 0 CFAELO O[C@@H]1CCCc2cc(OCCCn3cc[nH+]c3)ccc21 ZINC000044746081 175242221 /nfs/dbraw/zinc/24/22/21/175242221.db2.gz COXIJHVMMVVBLT-MRXNPFEDSA-N 1 2 272.348 2.722 10 0 CFAELO Nc1c(NC[C@H]2CCCOC2)ccc2[nH+]cccc12 ZINC000044981935 175283697 /nfs/dbraw/zinc/28/36/97/175283697.db2.gz APIIRWIQMHKAGQ-LLVKDONJSA-N 1 2 257.337 2.656 10 0 CFAELO CCOC(=O)[C@](C)(CCN(C)c1ccccc1)[NH2+]C1CC1 ZINC000045227769 175333762 /nfs/dbraw/zinc/33/37/62/175333762.db2.gz JDQDANODNLUYTJ-KRWDZBQOSA-N 1 2 290.407 2.587 10 0 CFAELO CCC(CC)C[N@H+](CC)C[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045277756 175347489 /nfs/dbraw/zinc/34/74/89/175347489.db2.gz GAJLMGDQNXAKSI-OAHLLOKOSA-N 1 2 272.433 2.586 10 0 CFAELO CCC(CC)C[N@@H+](CC)C[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045277756 175347490 /nfs/dbraw/zinc/34/74/90/175347490.db2.gz GAJLMGDQNXAKSI-OAHLLOKOSA-N 1 2 272.433 2.586 10 0 CFAELO CC[N@H+](CCC[C@](C)([NH2+]C)C(=O)[O-])c1cccc(C)c1 ZINC000045420043 175378624 /nfs/dbraw/zinc/37/86/24/175378624.db2.gz WMALDUHPCZPIDC-INIZCTEOSA-N 1 2 278.396 2.664 10 0 CFAELO CC[N@@H+](CCC[C@](C)([NH2+]C)C(=O)[O-])c1cccc(C)c1 ZINC000045420043 175378625 /nfs/dbraw/zinc/37/86/25/175378625.db2.gz WMALDUHPCZPIDC-INIZCTEOSA-N 1 2 278.396 2.664 10 0 CFAELO O=c1c(Nc2ccc3c(c2)CCC[NH2+]3)nccn1C1CC1 ZINC000071214973 176086219 /nfs/dbraw/zinc/08/62/19/176086219.db2.gz ZUBWLIIXISTMBK-UHFFFAOYSA-N 1 2 282.347 2.680 10 0 CFAELO CCCN(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471005 177025521 /nfs/dbraw/zinc/02/55/21/177025521.db2.gz KFIADNOWEHQOPS-ZDUSSCGKSA-N 1 2 286.379 2.985 10 0 CFAELO C[C@@H]1CCCN1c1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000246072136 287369628 /nfs/dbraw/zinc/36/96/28/287369628.db2.gz ISQGJEHLPMBFAI-QWHCGFSZSA-N 1 2 260.385 2.702 10 0 CFAELO C[C@@H]1CCCN1c1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000246072136 287369629 /nfs/dbraw/zinc/36/96/29/287369629.db2.gz ISQGJEHLPMBFAI-QWHCGFSZSA-N 1 2 260.385 2.702 10 0 CFAELO CCCNC(=O)C[NH2+]Cc1cc(Cl)sc1Cl ZINC000312612747 260182381 /nfs/dbraw/zinc/18/23/81/260182381.db2.gz YDOJQDAALWJGPK-UHFFFAOYSA-N 1 2 281.208 2.671 10 0 CFAELO CCN(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876129 260288393 /nfs/dbraw/zinc/28/83/93/260288393.db2.gz NKURMBVNEMFBFV-LBPRGKRZSA-N 1 2 272.352 2.595 10 0 CFAELO CNc1nc(N2[C@H](C)CC[C@@H]2C)[nH+]cc1Br ZINC000133295912 277046417 /nfs/dbraw/zinc/04/64/17/277046417.db2.gz CKZJFYMJGLACIH-OCAPTIKFSA-N 1 2 285.189 2.658 10 0 CFAELO CNc1nc(N2CCCCCC2)[nH+]cc1Br ZINC000085461800 277045792 /nfs/dbraw/zinc/04/57/92/277045792.db2.gz GUSRYKDLXZQBHT-UHFFFAOYSA-N 1 2 285.189 2.661 10 0 CFAELO CC(C)c1nn(C)cc1N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000335954274 278096927 /nfs/dbraw/zinc/09/69/27/278096927.db2.gz NXPHWPUQVPKBOJ-GHMZBOCLSA-N 1 2 259.357 2.858 10 0 CFAELO CC(C)N(C(=O)C[NH+]1[C@H](C)COC[C@H]1C)c1ccccc1 ZINC000077366814 279286125 /nfs/dbraw/zinc/28/61/25/279286125.db2.gz WUUXEQQHQLKJGT-HUUCEWRRSA-N 1 2 290.407 2.537 10 0 CFAELO CCn1cc[nH+]c1C[S@@](=O)Cc1c(C)cccc1C ZINC000083036536 280547867 /nfs/dbraw/zinc/54/78/67/280547867.db2.gz UOHJEGKHQHIYCU-LJQANCHMSA-N 1 2 276.405 2.969 10 0 CFAELO COC(=O)[C@@H]1CCCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000255139605 281088811 /nfs/dbraw/zinc/08/88/11/281088811.db2.gz CRYASZBBENPTMX-XVWMLYKFSA-N 1 2 277.339 2.866 10 0 CFAELO COC(=O)[C@@H]1CCCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000255139605 281088812 /nfs/dbraw/zinc/08/88/12/281088812.db2.gz CRYASZBBENPTMX-XVWMLYKFSA-N 1 2 277.339 2.866 10 0 CFAELO COC(=O)[C@H]1CCC[N@@H+]1C/C=C\c1ccc(Cl)cc1 ZINC000255907460 281109917 /nfs/dbraw/zinc/10/99/17/281109917.db2.gz QJCXOAJAYJGUIG-CTGSTSKSSA-N 1 2 279.767 2.991 10 0 CFAELO COC(=O)[C@H]1CCC[N@H+]1C/C=C\c1ccc(Cl)cc1 ZINC000255907460 281109919 /nfs/dbraw/zinc/10/99/19/281109919.db2.gz QJCXOAJAYJGUIG-CTGSTSKSSA-N 1 2 279.767 2.991 10 0 CFAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1cc(F)cc2cccnc21 ZINC000077365220 288375305 /nfs/dbraw/zinc/37/53/05/288375305.db2.gz OHZMFZDOMQMPRR-VXGBXAGGSA-N 1 2 274.339 2.983 10 0 CFAELO C[C@@H]1CC[C@@H](C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)O1 ZINC000152285446 289843514 /nfs/dbraw/zinc/84/35/14/289843514.db2.gz TYATUQLSGBVXHS-MFKMUULPSA-N 1 2 271.320 2.583 10 0 CFAELO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc(F)cc(F)c1 ZINC000164733668 290015252 /nfs/dbraw/zinc/01/52/52/290015252.db2.gz MKXURZAQFGDALO-TVQRCGJNSA-N 1 2 278.306 2.742 10 0 CFAELO Cc1[nH+]c(I)c2ccc(C)cn12 ZINC000095831220 293285801 /nfs/dbraw/zinc/28/58/01/293285801.db2.gz DGEMWVZKXZTAKQ-UHFFFAOYSA-N 1 2 272.089 2.556 10 0 CFAELO C[C@H]([NH2+][C@H]1CCNC1=O)c1c(Cl)ccc(F)c1Cl ZINC000179063986 323732156 /nfs/dbraw/zinc/73/21/56/323732156.db2.gz SIVDGUVQSQHSDK-RCOVLWMOSA-N 1 2 291.153 2.672 10 0 CFAELO CCCNc1cc(C(C)(C)C)[nH+]c(CCOC)n1 ZINC000050850798 520133724 /nfs/dbraw/zinc/13/37/24/520133724.db2.gz RZJFFBLOGGWXCW-UHFFFAOYSA-N 1 2 251.374 2.785 10 0 CFAELO C[NH2+][C@H](Cn1c2ccccc2c2ccccc21)C(=O)OC ZINC000045435982 517981037 /nfs/dbraw/zinc/98/10/37/517981037.db2.gz HXKPXEQQRFWPPS-CQSZACIVSA-N 1 2 282.343 2.556 10 0 CFAELO CC(C)(C)C1CCN(c2cc[nH+]c(C(N)=S)c2)CC1 ZINC000061813268 518610182 /nfs/dbraw/zinc/61/01/82/518610182.db2.gz REUXUEXANPDTBA-UHFFFAOYSA-N 1 2 277.437 2.978 10 0 CFAELO CC(C)c1cc(N)nc(-c2ccc3c(c2)OCO3)[nH+]1 ZINC000050867050 519833052 /nfs/dbraw/zinc/83/30/52/519833052.db2.gz IXMZDNHMZQPAEE-UHFFFAOYSA-N 1 2 257.293 2.578 10 0 CFAELO CCC[NH2+][C@@H](c1cscn1)c1nccn1CCC ZINC000062361874 520020288 /nfs/dbraw/zinc/02/02/88/520020288.db2.gz KTAWODRLPPGZRJ-LBPRGKRZSA-N 1 2 264.398 2.839 10 0 CFAELO CCC[NH2+][C@H](c1occc1Br)c1cnccn1 ZINC000069324913 520092207 /nfs/dbraw/zinc/09/22/07/520092207.db2.gz MBMOYJIULWKOGG-NSHDSACASA-N 1 2 296.168 2.921 10 0 CFAELO CCCNc1cc(C[N@@H+]2CCOC[C@@H]2CC)ccn1 ZINC000052721830 520136494 /nfs/dbraw/zinc/13/64/94/520136494.db2.gz DEBAXJXPBKYYEI-AWEZNQCLSA-N 1 2 263.385 2.514 10 0 CFAELO CCCNc1cc(C[N@H+]2CCOC[C@@H]2CC)ccn1 ZINC000052721830 520136498 /nfs/dbraw/zinc/13/64/98/520136498.db2.gz DEBAXJXPBKYYEI-AWEZNQCLSA-N 1 2 263.385 2.514 10 0 CFAELO CC(C)n1nnnc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000195096261 520142432 /nfs/dbraw/zinc/14/24/32/520142432.db2.gz AZZIYBLJHHALNN-AWEZNQCLSA-N 1 2 289.358 2.730 10 0 CFAELO CC(C)n1nnnc1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000195096261 520142437 /nfs/dbraw/zinc/14/24/37/520142437.db2.gz AZZIYBLJHHALNN-AWEZNQCLSA-N 1 2 289.358 2.730 10 0 CFAELO CCCNc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000050792416 520156929 /nfs/dbraw/zinc/15/69/29/520156929.db2.gz ARHWFCAQYYAUMP-STQMWFEESA-N 1 2 263.385 2.513 10 0 CFAELO CCCNc1nc(C[C@H]2CCCO2)[nH+]c2c1CCCC2 ZINC000050852462 520187295 /nfs/dbraw/zinc/18/72/95/520187295.db2.gz GTVBFQBIVRFPMQ-GFCCVEGCSA-N 1 2 275.396 2.899 10 0 CFAELO CC[NH2+][C@H](CCSc1ccccc1)C(=O)OCC ZINC000062597896 520194978 /nfs/dbraw/zinc/19/49/78/520194978.db2.gz KHKGXYCCISYEON-CYBMUJFWSA-N 1 2 267.394 2.710 10 0 CFAELO CCCNc1snnc1C[N@H+](C)C(CC)CC ZINC000050813950 520199418 /nfs/dbraw/zinc/19/94/18/520199418.db2.gz XNDFIVRNNJFQRP-UHFFFAOYSA-N 1 2 256.419 2.980 10 0 CFAELO CCCNc1snnc1C[N@@H+](C)C(CC)CC ZINC000050813950 520199426 /nfs/dbraw/zinc/19/94/26/520199426.db2.gz XNDFIVRNNJFQRP-UHFFFAOYSA-N 1 2 256.419 2.980 10 0 CFAELO Fc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000119520139 534475333 /nfs/dbraw/zinc/47/53/33/534475333.db2.gz ABBIYOZDPAYSMR-ZDUSSCGKSA-N 1 2 294.761 2.908 10 0 CFAELO Fc1ccc(Cl)cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000119520139 534475340 /nfs/dbraw/zinc/47/53/40/534475340.db2.gz ABBIYOZDPAYSMR-ZDUSSCGKSA-N 1 2 294.761 2.908 10 0 CFAELO CCNc1c(C(=O)OCC)c[nH+]c2ccc(OC)cc21 ZINC000050843079 520254304 /nfs/dbraw/zinc/25/43/04/520254304.db2.gz ZPWAPDKKVREMQH-UHFFFAOYSA-N 1 2 274.320 2.852 10 0 CFAELO CCNc1cc(C(C)(C)C)[nH+]c(C[C@H]2CCCO2)n1 ZINC000050850625 520265643 /nfs/dbraw/zinc/26/56/43/520265643.db2.gz SANDPNKYQKGRQW-LLVKDONJSA-N 1 2 263.385 2.927 10 0 CFAELO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195338418 521014460 /nfs/dbraw/zinc/01/44/60/521014460.db2.gz WXHVCMDYRFXHNP-NEPJUHHUSA-N 1 2 282.409 2.583 10 0 CFAELO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195338418 521014472 /nfs/dbraw/zinc/01/44/72/521014472.db2.gz WXHVCMDYRFXHNP-NEPJUHHUSA-N 1 2 282.409 2.583 10 0 CFAELO CCOC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000049370527 521029548 /nfs/dbraw/zinc/02/95/48/521029548.db2.gz YLOISSKEMTVJRQ-VXGBXAGGSA-N 1 2 261.365 2.778 10 0 CFAELO CCCC[C@H](C)[NH2+]Cc1nc(=O)c2sccc2[nH]1 ZINC000050888778 521148628 /nfs/dbraw/zinc/14/86/28/521148628.db2.gz DGRRBZQSUWUKMX-VIFPVBQESA-N 1 2 265.382 2.653 10 0 CFAELO CCC[C@H]([NH2+][C@@H](COC)C1CC1)C(=O)OC(C)(C)C ZINC000157467476 521169740 /nfs/dbraw/zinc/16/97/40/521169740.db2.gz QFHITXCNNYQJLG-STQMWFEESA-N 1 2 271.401 2.511 10 0 CFAELO CCC[C@H]([NH2+][C@H](COC)C1CC1)C(=O)OC(C)(C)C ZINC000157467770 521178228 /nfs/dbraw/zinc/17/82/28/521178228.db2.gz QFHITXCNNYQJLG-QWHCGFSZSA-N 1 2 271.401 2.511 10 0 CFAELO CCOC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000049370525 521210856 /nfs/dbraw/zinc/21/08/56/521210856.db2.gz YLOISSKEMTVJRQ-RYUDHWBXSA-N 1 2 261.365 2.778 10 0 CFAELO CCOC(=O)[C@H](C)[NH2+][C@H]1CCCCc2ccccc21 ZINC000049368529 521214193 /nfs/dbraw/zinc/21/41/93/521214193.db2.gz QBLUPFWIHKVIRA-WFASDCNBSA-N 1 2 261.365 2.995 10 0 CFAELO CCOC(=O)[C@H](C)[NH2+][C@H](c1cccs1)C(C)C ZINC000049371421 521214474 /nfs/dbraw/zinc/21/44/74/521214474.db2.gz SDZPJGCJZHFUQL-JQWIXIFHSA-N 1 2 255.383 2.986 10 0 CFAELO CC[C@H](C)[C@@H]([NH2+]Cc1c[nH]c2ccccc12)C(=O)OC ZINC000049537326 521861151 /nfs/dbraw/zinc/86/11/51/521861151.db2.gz GWVICYJMWGSYEA-XHDPSFHLSA-N 1 2 274.364 2.845 10 0 CFAELO CC[C@H](C)[C@H]([NH2+]Cc1c[nH]c2ccccc12)C(=O)OC ZINC000049537324 521979864 /nfs/dbraw/zinc/97/98/64/521979864.db2.gz GWVICYJMWGSYEA-NHYWBVRUSA-N 1 2 274.364 2.845 10 0 CFAELO CCc1[nH+]c2cc(C(=O)[O-])ccc2n1[C@H](C)CC[NH+](C)C ZINC000049559459 522482490 /nfs/dbraw/zinc/48/24/90/522482490.db2.gz MSOXOGMBUCNMJE-LLVKDONJSA-N 1 2 289.379 2.810 10 0 CFAELO COC[C@H](C)[N@@H+](C)CC(=O)c1cc(C)c(C)cc1C ZINC000049030310 522592340 /nfs/dbraw/zinc/59/23/40/522592340.db2.gz QCAGSPXTQAOWSE-AWEZNQCLSA-N 1 2 263.381 2.761 10 0 CFAELO COC[C@H](C)[N@H+](C)CC(=O)c1cc(C)c(C)cc1C ZINC000049030310 522592334 /nfs/dbraw/zinc/59/23/34/522592334.db2.gz QCAGSPXTQAOWSE-AWEZNQCLSA-N 1 2 263.381 2.761 10 0 CFAELO CNc1[nH+]cccc1COc1cccc(F)c1F ZINC000062654011 522711920 /nfs/dbraw/zinc/71/19/20/522711920.db2.gz CCYVFTPUVHWZFU-UHFFFAOYSA-N 1 2 250.248 2.981 10 0 CFAELO COCc1ccc(C[NH2+][C@@H](C)c2ncc(C)o2)cc1 ZINC000220905459 522992349 /nfs/dbraw/zinc/99/23/49/522992349.db2.gz WHDJTDQTMISJSV-LBPRGKRZSA-N 1 2 260.337 2.980 10 0 CFAELO COc1ccc(-c2nc(N)c(C)c(C)[nH+]2)cc1OC(F)F ZINC000050867427 523193719 /nfs/dbraw/zinc/19/37/19/523193719.db2.gz KNHRVTCTFJEWFG-UHFFFAOYSA-N 1 2 295.289 2.953 10 0 CFAELO CCn1cc[nH+]c1CSc1nc(C)nc(C)c1C(C)=O ZINC000195517375 523545036 /nfs/dbraw/zinc/54/50/36/523545036.db2.gz NHLARXODZSGWHZ-UHFFFAOYSA-N 1 2 290.392 2.805 10 0 CFAELO COC(=O)[C@@H](CSc1ccc(F)c(F)c1)[NH2+]C(C)C ZINC000045551310 523592202 /nfs/dbraw/zinc/59/22/02/523592202.db2.gz QNIATHFJVONELL-GFCCVEGCSA-N 1 2 289.347 2.597 10 0 CFAELO CN(c1cc[nH+]c(C2CC2)n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000156721776 523659013 /nfs/dbraw/zinc/65/90/13/523659013.db2.gz VVIXLJIUDCLUEI-BNOWGMLFSA-N 1 2 273.380 2.604 10 0 CFAELO CCc1cc(N)nc(-c2cc(Cl)c(OC)c(OC)c2)[nH+]1 ZINC000050846316 523789701 /nfs/dbraw/zinc/78/97/01/523789701.db2.gz IXAHGRLFTZZSBM-UHFFFAOYSA-N 1 2 293.754 2.959 10 0 CFAELO CC[C@H](C)CNc1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000054474783 523888081 /nfs/dbraw/zinc/88/80/81/523888081.db2.gz XLJHAKDEBRAGOQ-VIFPVBQESA-N 1 2 263.410 2.663 10 0 CFAELO COC(=O)[C@H](CCO[C@H]1CCCC[C@H]1C)[NH2+]C(C)C ZINC000062543891 523899625 /nfs/dbraw/zinc/89/96/25/523899625.db2.gz CMDYWCFJWYPYMM-RDBSUJKOSA-N 1 2 271.401 2.511 10 0 CFAELO COC(=O)[C@H]([NH2+]C1CCCC1)c1ccc(F)cc1C ZINC000050580210 523924906 /nfs/dbraw/zinc/92/49/06/523924906.db2.gz VJPJGHFKEMVFPW-CQSZACIVSA-N 1 2 265.328 2.880 10 0 CFAELO COCC[NH2+]Cc1nc(C(C)C)c(-c2ccccc2)[nH]1 ZINC000069236678 523956574 /nfs/dbraw/zinc/95/65/74/523956574.db2.gz CJIKUXXALMCLDI-UHFFFAOYSA-N 1 2 273.380 2.936 10 0 CFAELO COCCOc1ccc([NH2+]CC2CCOCC2)cc1 ZINC000052178162 524050217 /nfs/dbraw/zinc/05/02/17/524050217.db2.gz OXULAAPIZYKSKI-UHFFFAOYSA-N 1 2 265.353 2.550 10 0 CFAELO COc1ccc(Nc2cc[nH+]c(C(N)=S)c2)cc1F ZINC000061812519 524715589 /nfs/dbraw/zinc/71/55/89/524715589.db2.gz OVRXDNKRJCWAOW-UHFFFAOYSA-N 1 2 277.324 2.607 10 0 CFAELO C[C@H](Cc1ccsc1)Nc1cc[nH+]c(C(N)=S)c1 ZINC000061812907 524763415 /nfs/dbraw/zinc/76/34/15/524763415.db2.gz DAKAZBJDHWRIGS-SECBINFHSA-N 1 2 277.418 2.820 10 0 CFAELO Cc1cc(F)ccc1[C@H]([NH3+])c1noc(C(F)(F)F)n1 ZINC000050580603 525009743 /nfs/dbraw/zinc/00/97/43/525009743.db2.gz CRWPHEFKMSFRGZ-QMMMGPOBSA-N 1 2 275.205 2.584 10 0 CFAELO Cc1ccccc1CN(C)c1cc[nH+]c(C(N)=S)c1 ZINC000061812746 525129758 /nfs/dbraw/zinc/12/97/58/525129758.db2.gz IPDRJDHTSYCBEA-UHFFFAOYSA-N 1 2 271.389 2.661 10 0 CFAELO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1nnc2n1CCCC2 ZINC000194904268 525533401 /nfs/dbraw/zinc/53/34/01/525533401.db2.gz FJZMMPUVIMVNCL-RYUDHWBXSA-N 1 2 286.379 2.732 10 0 CFAELO C[C@@H]([NH2+]c1cc2c(cc1N)OCC(=O)N2)C1CCCCC1 ZINC000052334730 525699615 /nfs/dbraw/zinc/69/96/15/525699615.db2.gz QIEINQIGJDVJTL-SNVBAGLBSA-N 1 2 289.379 2.980 10 0 CFAELO Cc1ccc([C@@H](C)Nc2[nH+]cccc2C(N)=S)o1 ZINC000049224755 525754440 /nfs/dbraw/zinc/75/44/40/525754440.db2.gz JDLWXEPKMSMWHN-SECBINFHSA-N 1 2 261.350 2.790 10 0 CFAELO C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N)[nH+]c1 ZINC000061680233 525941576 /nfs/dbraw/zinc/94/15/76/525941576.db2.gz FOOQHDXFGPZRHS-SECBINFHSA-N 1 2 291.738 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296.143 2.668 10 0 CFAELO Cc1nc(C)c([C@@H](C)Nc2cc[nH+]c(C(N)=S)c2)s1 ZINC000061812971 526747829 /nfs/dbraw/zinc/74/78/29/526747829.db2.gz HEXQIDPWNCBEIW-MRVPVSSYSA-N 1 2 292.433 2.962 10 0 CFAELO Cc1nc(COc2ccccc2)[nH+]c(NN)c1C(C)C ZINC000061689048 526909960 /nfs/dbraw/zinc/90/99/60/526909960.db2.gz RVSLOCMQGYDFIC-UHFFFAOYSA-N 1 2 272.352 2.773 10 0 CFAELO Cc1nc(Cn2c(N)[nH+]c3c2cccc3F)cs1 ZINC000049534200 526943212 /nfs/dbraw/zinc/94/32/12/526943212.db2.gz VNSAUPRZSLHXFR-UHFFFAOYSA-N 1 2 262.313 2.571 10 0 CFAELO Cc1nc2cc(N[C@@H](C)Cn3cc[nH+]c3)c(N)cc2s1 ZINC000049234778 527131369 /nfs/dbraw/zinc/13/13/69/527131369.db2.gz GGRIXBCVVIAKQO-VIFPVBQESA-N 1 2 287.392 2.884 10 0 CFAELO Cc1nc2n(n1)CCC[C@H]2Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000081018322 527191144 /nfs/dbraw/zinc/19/11/44/527191144.db2.gz AZCNDRCTTRZOFK-GFCCVEGCSA-N 1 2 284.367 2.509 10 0 CFAELO NNc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000051090226 527283466 /nfs/dbraw/zinc/28/34/66/527283466.db2.gz HYDVVIPQQKPFED-UHFFFAOYSA-N 1 2 296.252 2.638 10 0 CFAELO Nc1cc(F)ccc1SCCCn1cc[nH+]c1 ZINC000049328362 527456447 /nfs/dbraw/zinc/45/64/47/527456447.db2.gz XDDZYZJMKCDYIM-UHFFFAOYSA-N 1 2 251.330 2.787 10 0 CFAELO Nc1ccc(NC(=O)Cc2cccc3ccccc32)c[nH+]1 ZINC000061680287 527491737 /nfs/dbraw/zinc/49/17/37/527491737.db2.gz SOGMJVLJNYESSF-UHFFFAOYSA-N 1 2 277.327 2.998 10 0 CFAELO Nc1ccc(NC(=O)Nc2cccc(Cl)c2)c[nH+]1 ZINC000061680622 527492621 /nfs/dbraw/zinc/49/26/21/527492621.db2.gz LHAMHWHVZSYLKD-UHFFFAOYSA-N 1 2 262.700 2.961 10 0 CFAELO CC[N@H+](Cc1nnnn1C(C)C)[C@H](C)c1cccc(O)c1 ZINC000178372225 528893145 /nfs/dbraw/zinc/89/31/45/528893145.db2.gz DACHMIOHBWHMGS-GFCCVEGCSA-N 1 2 289.383 2.543 10 0 CFAELO CC[N@@H+](Cc1nnnn1C(C)C)[C@H](C)c1cccc(O)c1 ZINC000178372225 528893150 /nfs/dbraw/zinc/89/31/50/528893150.db2.gz DACHMIOHBWHMGS-GFCCVEGCSA-N 1 2 289.383 2.543 10 0 CFAELO Cc1cc[nH+]c(N[C@H]2CCC[C@H](O)C2)c1Br ZINC000393751113 574332894 /nfs/dbraw/zinc/33/28/94/574332894.db2.gz RQFUUUPXBJEANB-UWVGGRQHSA-N 1 2 285.185 2.868 10 0 CFAELO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000083501977 625974219 /nfs/dbraw/zinc/97/42/19/625974219.db2.gz KVEOKZRHSAPPNY-MNOVXSKESA-N 1 2 251.330 2.501 10 0 CFAELO CCCCC[C@H](C(=O)NC[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000119035585 637463104 /nfs/dbraw/zinc/46/31/04/637463104.db2.gz GSTRADGAMAIBMB-CVEARBPZSA-N 1 2 298.471 2.676 10 0 CFAELO C[C@H]1C[N@H+](CN2C[C@H](CC(C)(C)C)OC2=O)CCS1 ZINC000190244720 650421191 /nfs/dbraw/zinc/42/11/91/650421191.db2.gz UYJAKPCDHKJEPE-RYUDHWBXSA-N 1 2 286.441 2.638 10 0 CFAELO C[C@H]1C[N@@H+](CN2C[C@H](CC(C)(C)C)OC2=O)CCS1 ZINC000190244720 650421195 /nfs/dbraw/zinc/42/11/95/650421195.db2.gz UYJAKPCDHKJEPE-RYUDHWBXSA-N 1 2 286.441 2.638 10 0 CFAELO Cc1csc([C@H]2CCC[N@H+](CN3CCSC3=O)C2)n1 ZINC000195305640 650746106 /nfs/dbraw/zinc/74/61/06/650746106.db2.gz NRJRODLLZCQFND-NSHDSACASA-N 1 2 297.449 2.757 10 0 CFAELO Cc1csc([C@H]2CCC[N@@H+](CN3CCSC3=O)C2)n1 ZINC000195305640 650746109 /nfs/dbraw/zinc/74/61/09/650746109.db2.gz NRJRODLLZCQFND-NSHDSACASA-N 1 2 297.449 2.757 10 0 CFAELO Cc1nc(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)sc1C ZINC000220616295 647129365 /nfs/dbraw/zinc/12/93/65/647129365.db2.gz FAJDUFOWRXFRHU-JTQLQIEISA-N 1 2 290.392 2.535 10 0 CFAELO Cc1nc(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)sc1C ZINC000220616295 647129366 /nfs/dbraw/zinc/12/93/66/647129366.db2.gz FAJDUFOWRXFRHU-JTQLQIEISA-N 1 2 290.392 2.535 10 0 CFAELO CCc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)OC)o1 ZINC000124884048 187160015 /nfs/dbraw/zinc/16/00/15/187160015.db2.gz URYNYNBNYFGXBQ-LBPRGKRZSA-N 1 2 251.326 2.542 10 0 CFAELO CCc1ccc([C@@H]2CCCC[N@H+]2CC(=O)OC)o1 ZINC000124884048 187160016 /nfs/dbraw/zinc/16/00/16/187160016.db2.gz URYNYNBNYFGXBQ-LBPRGKRZSA-N 1 2 251.326 2.542 10 0 CFAELO Cc1nnc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)o1 ZINC000096980579 185145742 /nfs/dbraw/zinc/14/57/42/185145742.db2.gz AMFQJSJLBVAPDN-QMMMGPOBSA-N 1 2 251.717 2.882 10 0 CFAELO CCn1cc[nH+]c1C[S@](=O)Cc1ccccc1C ZINC000177292281 529582197 /nfs/dbraw/zinc/58/21/97/529582197.db2.gz LNWCIPUXQNATQO-GOSISDBHSA-N 1 2 262.378 2.660 10 0 CFAELO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCCn2cc[nH+]c2)cc1 ZINC000127526616 187313298 /nfs/dbraw/zinc/31/32/98/187313298.db2.gz AGAIFHTZGVXQBQ-SJORKVTESA-N 1 2 297.402 2.926 10 0 CFAELO CCc1nnc(C[N@H+](CCC(F)(F)F)CC2CC2)n1C ZINC000177168204 232352373 /nfs/dbraw/zinc/35/23/73/232352373.db2.gz IKDQMKUILMYQAV-UHFFFAOYSA-N 1 2 290.333 2.542 10 0 CFAELO CCc1nnc(C[N@@H+](CCC(F)(F)F)CC2CC2)n1C ZINC000177168204 232352374 /nfs/dbraw/zinc/35/23/74/232352374.db2.gz IKDQMKUILMYQAV-UHFFFAOYSA-N 1 2 290.333 2.542 10 0 CFAELO CC1(C)CCC[C@@H](NC(=S)Nc2ccc(N)[nH+]c2)C1 ZINC000013600672 346233230 /nfs/dbraw/zinc/23/32/30/346233230.db2.gz XQPJFAXNTVMTJF-SNVBAGLBSA-N 1 2 278.425 2.919 10 0 CFAELO CCOC(=O)c1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000029216180 346279802 /nfs/dbraw/zinc/27/98/02/346279802.db2.gz GBCFDCUWUCPDED-UHFFFAOYSA-N 1 2 274.320 2.529 10 0 CFAELO Cc1cccc(C[NH+]2CCN(CC(=O)c3ccco3)CC2)c1 ZINC000044440915 346393486 /nfs/dbraw/zinc/39/34/86/346393486.db2.gz JPYBIYXYMRRRND-UHFFFAOYSA-N 1 2 298.386 2.589 10 0 CFAELO Ic1ccccc1NCc1c[nH+]c[nH]1 ZINC000054763928 346575401 /nfs/dbraw/zinc/57/54/01/346575401.db2.gz GZELEMZVJQUQQK-UHFFFAOYSA-N 1 2 299.115 2.626 10 0 CFAELO Ic1ccccc1NCc1c[nH]c[nH+]1 ZINC000054763928 346575404 /nfs/dbraw/zinc/57/54/04/346575404.db2.gz GZELEMZVJQUQQK-UHFFFAOYSA-N 1 2 299.115 2.626 10 0 CFAELO Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H](C)C(C)C ZINC000055071658 346581629 /nfs/dbraw/zinc/58/16/29/346581629.db2.gz NRXDJFIDSQAJQK-LBPRGKRZSA-N 1 2 288.395 2.688 10 0 CFAELO CC(=O)c1ccc(Br)cc1-n1cc[nH+]c1 ZINC000131971432 347881989 /nfs/dbraw/zinc/88/19/89/347881989.db2.gz WMMYOZLGHBAIOF-UHFFFAOYSA-N 1 2 265.110 2.837 10 0 CFAELO CCCN(C)c1[nH+]cc(N)c(C)c1Br ZINC000167007570 348044089 /nfs/dbraw/zinc/04/40/89/348044089.db2.gz RGHDCDAXYGSRRO-UHFFFAOYSA-N 1 2 258.163 2.581 10 0 CFAELO Brc1ccsc1[C@@H]1[NH2+]CCS1 ZINC000228017067 348192473 /nfs/dbraw/zinc/19/24/73/348192473.db2.gz 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296.418 2.868 10 0 CFAELO Cc1ccc([C@](C)(O)CNc2cc[nH+]c(C3CC3)n2)o1 ZINC000301411362 382170974 /nfs/dbraw/zinc/17/09/74/382170974.db2.gz KFZLOARDRWNYBK-OAHLLOKOSA-N 1 2 273.336 2.575 10 0 CFAELO CNc1nc(N[C@H]2CCC[C@H]2C)[nH+]cc1Br ZINC000302503905 382259080 /nfs/dbraw/zinc/25/90/80/382259080.db2.gz DICWWGJRXWCOSQ-APPZFPTMSA-N 1 2 285.189 2.881 10 0 CFAELO CCC1(CNc2nc(NC)c(Br)c[nH+]2)CC1 ZINC000302509993 382259775 /nfs/dbraw/zinc/25/97/75/382259775.db2.gz FSLCDSFUJWXLRN-UHFFFAOYSA-N 1 2 285.189 2.883 10 0 CFAELO [NH3+][C@H](c1ccc(Br)o1)c1ccns1 ZINC000307215321 382464683 /nfs/dbraw/zinc/46/46/83/382464683.db2.gz SIQPVHNAAFQOIJ-MRVPVSSYSA-N 1 2 259.128 2.547 10 0 CFAELO C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000188861492 382494176 /nfs/dbraw/zinc/49/41/76/382494176.db2.gz BQNKPHGUDOOJSB-SWLSCSKDSA-N 1 2 285.347 2.626 10 0 CFAELO CC[C@](C)(O)C[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000189207458 382565496 /nfs/dbraw/zinc/56/54/96/382565496.db2.gz XNNWEBLBOAZGIO-GJZGRUSLSA-N 1 2 283.799 2.874 10 0 CFAELO CC[C@](C)(O)C[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000189207458 382565506 /nfs/dbraw/zinc/56/55/06/382565506.db2.gz XNNWEBLBOAZGIO-GJZGRUSLSA-N 1 2 283.799 2.874 10 0 CFAELO C[C@H]1C[N@H+](Cc2ccc(Br)o2)CCS1 ZINC000191319516 382698336 /nfs/dbraw/zinc/69/83/36/382698336.db2.gz HVRHPVSWMDTIGN-QMMMGPOBSA-N 1 2 276.199 2.979 10 0 CFAELO C[C@H]1C[N@@H+](Cc2ccc(Br)o2)CCS1 ZINC000191319516 382698337 /nfs/dbraw/zinc/69/83/37/382698337.db2.gz HVRHPVSWMDTIGN-QMMMGPOBSA-N 1 2 276.199 2.979 10 0 CFAELO C[C@H]([NH2+]Cc1nc(N(C)C)no1)c1ccc(Cl)s1 ZINC000193007644 382714471 /nfs/dbraw/zinc/71/44/71/382714471.db2.gz RCIJPEMGLNJJGX-ZETCQYMHSA-N 1 2 286.788 2.701 10 0 CFAELO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)c(Cl)c1 ZINC000193660565 382722256 /nfs/dbraw/zinc/72/22/56/382722256.db2.gz XBHKMGABTAJRDX-CYBMUJFWSA-N 1 2 267.756 2.786 10 0 CFAELO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C)c(Cl)c1 ZINC000193660565 382722257 /nfs/dbraw/zinc/72/22/57/382722257.db2.gz XBHKMGABTAJRDX-CYBMUJFWSA-N 1 2 267.756 2.786 10 0 CFAELO C[C@H]1C[NH2+][C@H](c2ccncc2Br)S1 ZINC000575544319 382773410 /nfs/dbraw/zinc/77/34/10/382773410.db2.gz CRKIUGSEIZYANQ-RCOVLWMOSA-N 1 2 259.172 2.568 10 0 CFAELO Nc1cccc([C@@H]2C[NH+]=C3c4ccccc4NC(=O)N3C2)c1 ZINC000216179909 382782221 /nfs/dbraw/zinc/78/22/21/382782221.db2.gz FAWPBIKASNVITL-GFCCVEGCSA-N 1 2 292.342 2.660 10 0 CFAELO CCOC(=O)C1(n2c[nH+]c(C)c2)CCC(F)(F)CC1 ZINC000217349570 382786020 /nfs/dbraw/zinc/78/60/20/382786020.db2.gz WQCICIKMDVFIJF-UHFFFAOYSA-N 1 2 272.295 2.659 10 0 CFAELO CC(C)n1nnnc1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000195024074 382759966 /nfs/dbraw/zinc/75/99/66/382759966.db2.gz NAYHOEJMQTURIE-JTQLQIEISA-N 1 2 279.775 2.758 10 0 CFAELO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccn[nH]1 ZINC000225811650 382821889 /nfs/dbraw/zinc/82/18/89/382821889.db2.gz UGLAMXLFZJQMLT-UHFFFAOYSA-N 1 2 296.415 2.583 10 0 CFAELO Cc1cc[nH+]c(N[C@@H]2CCO[C@H]2C)c1Br ZINC000235350282 382880036 /nfs/dbraw/zinc/88/00/36/382880036.db2.gz RARSMQYVVGCCBD-DTWKUNHWSA-N 1 2 271.158 2.742 10 0 CFAELO Cn1c(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)nnc1C1CC1 ZINC000246119313 383062857 /nfs/dbraw/zinc/06/28/57/383062857.db2.gz LAOKSCIKBSTCJM-CHWSQXEVSA-N 1 2 292.452 2.553 10 0 CFAELO Cn1c(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)nnc1C1CC1 ZINC000246119313 383062863 /nfs/dbraw/zinc/06/28/63/383062863.db2.gz LAOKSCIKBSTCJM-CHWSQXEVSA-N 1 2 292.452 2.553 10 0 CFAELO CCc1nnc(C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccco2)n1C ZINC000247233450 383155132 /nfs/dbraw/zinc/15/51/32/383155132.db2.gz DGFCGFLVBDJGRO-OLZOCXBDSA-N 1 2 288.395 2.944 10 0 CFAELO CCc1nnc(C[N@H+]2CC[C@@H](C)C[C@H]2c2ccco2)n1C ZINC000247233450 383155135 /nfs/dbraw/zinc/15/51/35/383155135.db2.gz DGFCGFLVBDJGRO-OLZOCXBDSA-N 1 2 288.395 2.944 10 0 CFAELO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCS[C@@H](C)C1 ZINC000249416242 383344643 /nfs/dbraw/zinc/34/46/43/383344643.db2.gz ZJHBMKODXDNWHO-NWDGAFQWSA-N 1 2 299.461 2.588 10 0 CFAELO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCS[C@@H](C)C1 ZINC000249416242 383344647 /nfs/dbraw/zinc/34/46/47/383344647.db2.gz ZJHBMKODXDNWHO-NWDGAFQWSA-N 1 2 299.461 2.588 10 0 CFAELO Cc1csc([C@@H]2C[N@H+](C[C@H]3CCC=CO3)CCO2)n1 ZINC000248872582 383300568 /nfs/dbraw/zinc/30/05/68/383300568.db2.gz IHQDZSYZZZXALQ-OLZOCXBDSA-N 1 2 280.393 2.518 10 0 CFAELO Cc1csc([C@@H]2C[N@@H+](C[C@H]3CCC=CO3)CCO2)n1 ZINC000248872582 383300573 /nfs/dbraw/zinc/30/05/73/383300573.db2.gz IHQDZSYZZZXALQ-OLZOCXBDSA-N 1 2 280.393 2.518 10 0 CFAELO CCc1cc(N[C@H]2C[C@H]2C)nc(-c2ccncc2)[nH+]1 ZINC000264567191 383756320 /nfs/dbraw/zinc/75/63/20/383756320.db2.gz RZHIIOYFCLRZSN-MFKMUULPSA-N 1 2 254.337 2.921 10 0 CFAELO Cc1nc(N(C)CCc2nccs2)c2c([nH+]1)CCCC2 ZINC000272891809 385643686 /nfs/dbraw/zinc/64/36/86/385643686.db2.gz NXBZRYASGWMFJZ-UHFFFAOYSA-N 1 2 288.420 2.799 10 0 CFAELO Cc1[nH]ccc1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000177647153 533649347 /nfs/dbraw/zinc/64/93/47/533649347.db2.gz KXYCTOPWVNEIQC-LBPRGKRZSA-N 1 2 294.358 3.000 10 0 CFAELO COc1ccc(C)cc1NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000163980621 542594712 /nfs/dbraw/zinc/59/47/12/542594712.db2.gz USWYQLQBJKQBQG-LBPRGKRZSA-N 1 2 299.374 2.779 10 0 CFAELO COc1ccc(C)cc1NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000163980621 542594715 /nfs/dbraw/zinc/59/47/15/542594715.db2.gz USWYQLQBJKQBQG-LBPRGKRZSA-N 1 2 299.374 2.779 10 0 CFAELO CSc1nnc(C[NH2+]Cc2ccccc2)s1 ZINC000269427753 132168909 /nfs/dbraw/zinc/16/89/09/132168909.db2.gz YTJRNLYRJKDDKC-UHFFFAOYSA-N 1 2 251.380 2.550 10 0 CFAELO CCn1cc[nH+]c1CS(=O)(=O)c1cccc(Cl)c1 ZINC000081545908 393735563 /nfs/dbraw/zinc/73/55/63/393735563.db2.gz SIWZFKIVHDWTBX-UHFFFAOYSA-N 1 2 284.768 2.530 10 0 CFAELO CCc1nnc(C[N@H+](Cc2cccs2)C2CC2)n1C ZINC000195059847 393729638 /nfs/dbraw/zinc/72/96/38/393729638.db2.gz CUEFSFOMBQVCNJ-UHFFFAOYSA-N 1 2 276.409 2.604 10 0 CFAELO CCc1nnc(C[N@@H+](Cc2cccs2)C2CC2)n1C ZINC000195059847 393729643 /nfs/dbraw/zinc/72/96/43/393729643.db2.gz CUEFSFOMBQVCNJ-UHFFFAOYSA-N 1 2 276.409 2.604 10 0 CFAELO CCOC(=O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000156732447 394338622 /nfs/dbraw/zinc/33/86/22/394338622.db2.gz MJOSGCLEEVMHNJ-HNNXBMFYSA-N 1 2 261.365 2.853 10 0 CFAELO CCC[C@H]([NH2+][C@@H](COC)C(C)C)C(=O)OC(C)(C)C ZINC000157475933 394345950 /nfs/dbraw/zinc/34/59/50/394345950.db2.gz PVHWDDZQXHYXCR-STQMWFEESA-N 1 2 273.417 2.757 10 0 CFAELO COCc1noc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000180263472 543012753 /nfs/dbraw/zinc/01/27/53/543012753.db2.gz WSDJSOAGIPBWRD-JTQLQIEISA-N 1 2 279.315 2.514 10 0 CFAELO Cc1ccc2c(c1)[C@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)C2 ZINC000193783095 543091477 /nfs/dbraw/zinc/09/14/77/543091477.db2.gz RCIDUUJONDOYAD-FZKQIMNGSA-N 1 2 297.402 2.711 10 0 CFAELO C[C@H](COCc1ccccc1)[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000367596361 156358031 /nfs/dbraw/zinc/35/80/31/156358031.db2.gz PEQYPEALPHBRQI-CJNGLKHVSA-N 1 2 285.391 2.982 10 0 CFAELO C[C@@H]([NH2+][C@H]1CCCc2occc21)c1nnc2n1CCCC2 ZINC000192911382 287068566 /nfs/dbraw/zinc/06/85/66/287068566.db2.gz HEERCGGDRLHKNI-YPMHNXCESA-N 1 2 286.379 2.936 10 0 CFAELO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cc(F)ccc1F ZINC000176686966 287068638 /nfs/dbraw/zinc/06/86/38/287068638.db2.gz ASWZUVRGLREZFB-RNCFNFMXSA-N 1 2 278.306 2.742 10 0 CFAELO CC[NH+]1CCN(C(=O)c2oc3ccc(C)cc3c2C)CC1 ZINC000006654875 170222700 /nfs/dbraw/zinc/22/27/00/170222700.db2.gz NAAPKOZWBFOEJY-UHFFFAOYSA-N 1 2 286.375 2.827 10 0 CFAELO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2nnc3ccccn32)o1 ZINC000020185360 171049023 /nfs/dbraw/zinc/04/90/23/171049023.db2.gz NAXZORTVXWHOFN-YPMHNXCESA-N 1 2 282.347 2.736 10 0 CFAELO C[C@H]1CCCC[C@@H]1[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000021512916 171310880 /nfs/dbraw/zinc/31/08/80/171310880.db2.gz AWSGQNGRVJOHHQ-FZMZJTMJSA-N 1 2 257.341 2.653 10 0 CFAELO [NH3+][C@H](c1nc(-c2cccs2)no1)c1ccccc1 ZINC000021813726 171330851 /nfs/dbraw/zinc/33/08/51/171330851.db2.gz BRRDKSIQAHQBEG-NSHDSACASA-N 1 2 257.318 2.846 10 0 CFAELO C[C@H]([NH3+])c1ccccc1NS(=O)(=O)c1ccccc1F ZINC000022168880 171367224 /nfs/dbraw/zinc/36/72/24/171367224.db2.gz JKPRXLZZSWSASY-JTQLQIEISA-N 1 2 294.351 2.646 10 0 CFAELO Nc1ccc(Cl)cc1NC(=O)CCCn1cc[nH+]c1 ZINC000022213436 171374198 /nfs/dbraw/zinc/37/41/98/171374198.db2.gz MWVPERZIMHKUFW-UHFFFAOYSA-N 1 2 278.743 2.538 10 0 CFAELO COC(=O)c1occc1C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000035224226 172068543 /nfs/dbraw/zinc/06/85/43/172068543.db2.gz PVBCUOHVSBEOQH-JTQLQIEISA-N 1 2 263.293 2.818 10 0 CFAELO [NH3+][C@@H](c1nc(-c2ccc(F)cc2)no1)c1ccccc1 ZINC000035660352 172337060 /nfs/dbraw/zinc/33/70/60/172337060.db2.gz ACXSKSMKVMICNH-CYBMUJFWSA-N 1 2 269.279 2.924 10 0 CFAELO COc1[nH+]ccc(N(C)C)c1N[C@@H]1C[C@@H]2CC=C[C@H]12 ZINC000037275665 173087275 /nfs/dbraw/zinc/08/72/75/173087275.db2.gz QPTIHKVAFBVQQP-SDDRHHMPSA-N 1 2 259.353 2.533 10 0 CFAELO CCc1[nH+]c2cc(C(=O)[O-])ccc2n1CC[NH+](CC)CC ZINC000037309501 173112535 /nfs/dbraw/zinc/11/25/35/173112535.db2.gz UFGIPRYUMQHHGC-UHFFFAOYSA-N 1 2 289.379 2.639 10 0 CFAELO CN(C)c1cccc(-c2[nH]c3ccc(N)cc3[nH+]2)c1 ZINC000037328257 173128522 /nfs/dbraw/zinc/12/85/22/173128522.db2.gz WMGPEYUDRQINKS-UHFFFAOYSA-N 1 2 252.321 2.878 10 0 CFAELO CC[C@@H](C(=O)c1ccccc1)[N@@H+]1CCOC[C@@H]1CC ZINC000037340074 173141503 /nfs/dbraw/zinc/14/15/03/173141503.db2.gz SGNJLKLWUTYTKX-GJZGRUSLSA-N 1 2 261.365 2.759 10 0 CFAELO CC[C@@H](C(=O)c1ccccc1)[N@H+]1CCOC[C@@H]1CC ZINC000037340074 173141506 /nfs/dbraw/zinc/14/15/06/173141506.db2.gz SGNJLKLWUTYTKX-GJZGRUSLSA-N 1 2 261.365 2.759 10 0 CFAELO Cc1ccc2c(c1)[nH+]c(Cc1csc(N)n1)n2C ZINC000037437834 173208021 /nfs/dbraw/zinc/20/80/21/173208021.db2.gz YEVZOVQJTFTZHL-UHFFFAOYSA-N 1 2 258.350 2.511 10 0 CFAELO CCOC(=O)[C@@](C)([NH2+]C)c1cccc2ccccc21 ZINC000037458702 173223747 /nfs/dbraw/zinc/22/37/47/173223747.db2.gz LNJLOIZCQMEYHT-INIZCTEOSA-N 1 2 257.333 2.838 10 0 CFAELO CCC[NH2+][C@@](C)(C(=O)OC)c1ccc(SC)cc1 ZINC000037513435 173244834 /nfs/dbraw/zinc/24/48/34/173244834.db2.gz PTKXSNVWRMFRAZ-CQSZACIVSA-N 1 2 267.394 2.796 10 0 CFAELO CC[C@]([NH2+]CC1CC1)(C(=O)OC)c1ccc(C)cc1 ZINC000037967659 173914101 /nfs/dbraw/zinc/91/41/01/173914101.db2.gz VMTYXDUWDYPNBX-MRXNPFEDSA-N 1 2 261.365 2.773 10 0 CFAELO CCc1nc([C@@H]2C[C@@H](OC)C[NH2+]2)[nH]c1-c1ccccc1 ZINC000040637789 174361619 /nfs/dbraw/zinc/36/16/19/174361619.db2.gz ZNRIRJRDMJNNKZ-OCCSQVGLSA-N 1 2 271.364 2.689 10 0 CFAELO CCCNc1[nH+]cnc(Nc2cccc(OC)c2)c1N ZINC000040687956 174376001 /nfs/dbraw/zinc/37/60/01/174376001.db2.gz VKEGWRMFIVOHSX-UHFFFAOYSA-N 1 2 273.340 2.633 10 0 CFAELO CCCNc1nc[nH+]c(Nc2cccc(OC)c2)c1N ZINC000040687956 174376003 /nfs/dbraw/zinc/37/60/03/174376003.db2.gz VKEGWRMFIVOHSX-UHFFFAOYSA-N 1 2 273.340 2.633 10 0 CFAELO CCOC1CC[NH+]([C@@H](C)C(=O)c2ccc(F)cc2)CC1 ZINC000040689762 174376282 /nfs/dbraw/zinc/37/62/82/174376282.db2.gz IITBBDMTGIRHPP-LBPRGKRZSA-N 1 2 279.355 2.898 10 0 CFAELO CCNc1[nH+]cnc(Nc2cccc(Cl)c2)c1N ZINC000040707373 174379346 /nfs/dbraw/zinc/37/93/46/174379346.db2.gz NJFRPGYPRDMBNI-UHFFFAOYSA-N 1 2 263.732 2.888 10 0 CFAELO CCNc1nc[nH+]c(Nc2cccc(Cl)c2)c1N ZINC000040707373 174379347 /nfs/dbraw/zinc/37/93/47/174379347.db2.gz NJFRPGYPRDMBNI-UHFFFAOYSA-N 1 2 263.732 2.888 10 0 CFAELO CCCNc1nc[nH+]c(Nc2ccc(F)cc2)c1N ZINC000040707788 174380136 /nfs/dbraw/zinc/38/01/36/174380136.db2.gz TUWJFBPPUWDXFM-UHFFFAOYSA-N 1 2 261.304 2.763 10 0 CFAELO CC(C)Nc1[nH+]cnc(Nc2ccccc2F)c1N ZINC000040708119 174380318 /nfs/dbraw/zinc/38/03/18/174380318.db2.gz LDVZUMIKPSRQHN-UHFFFAOYSA-N 1 2 261.304 2.762 10 0 CFAELO Nc1[nH+]cnc(Nc2cccc3ccccc32)c1N ZINC000040723843 174385825 /nfs/dbraw/zinc/38/58/25/174385825.db2.gz CKCDCJSQMJIRDF-UHFFFAOYSA-N 1 2 251.293 2.538 10 0 CFAELO Nc1nc[nH+]c(Nc2cccc3ccccc32)c1N ZINC000040723843 174385827 /nfs/dbraw/zinc/38/58/27/174385827.db2.gz CKCDCJSQMJIRDF-UHFFFAOYSA-N 1 2 251.293 2.538 10 0 CFAELO CN(C)c1nc[nH+]c(Nc2ccc(F)c(Cl)c2)c1N ZINC000040723590 174385838 /nfs/dbraw/zinc/38/58/38/174385838.db2.gz XLMXAVVHIBKCIP-UHFFFAOYSA-N 1 2 281.722 2.661 10 0 CFAELO CN(C)c1[nH+]cnc(Nc2ccc(F)c(Cl)c2)c1N ZINC000040723590 174385839 /nfs/dbraw/zinc/38/58/39/174385839.db2.gz XLMXAVVHIBKCIP-UHFFFAOYSA-N 1 2 281.722 2.661 10 0 CFAELO CCCCN(C)c1nc[nH+]c(N(C)CCCC)c1N ZINC000040730159 174388189 /nfs/dbraw/zinc/38/81/89/174388189.db2.gz LDMOKCYORHBIKN-UHFFFAOYSA-N 1 2 265.405 2.531 10 0 CFAELO Cc1ccc(C(N)=S)c(N[C@@H](C)CC(C)C)[nH+]1 ZINC000043396642 175036299 /nfs/dbraw/zinc/03/62/99/175036299.db2.gz VPMIREYWXVMYMZ-JTQLQIEISA-N 1 2 251.399 2.871 10 0 CFAELO Cc1ccc(C(N)=S)c(NCCc2ccccc2F)[nH+]1 ZINC000043396340 175036397 /nfs/dbraw/zinc/03/63/97/175036397.db2.gz KURKMAZJYWRXJD-UHFFFAOYSA-N 1 2 289.379 2.818 10 0 CFAELO Cc1ccc(C(N)=S)c(N(CC(C)C)C(C)C)[nH+]1 ZINC000043396995 175036520 /nfs/dbraw/zinc/03/65/20/175036520.db2.gz NWQVGWVKZOBXQW-UHFFFAOYSA-N 1 2 265.426 2.895 10 0 CFAELO Nc1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)ccc1Cl ZINC000043423603 175039476 /nfs/dbraw/zinc/03/94/76/175039476.db2.gz UUCALFOWDZAFLG-KBPBESRZSA-N 1 2 266.772 2.676 10 0 CFAELO Nc1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)ccc1Cl ZINC000043423603 175039477 /nfs/dbraw/zinc/03/94/77/175039477.db2.gz UUCALFOWDZAFLG-KBPBESRZSA-N 1 2 266.772 2.676 10 0 CFAELO [NH3+]CC1([N@H+]2CCO[C@@H]3CCC[C@@H]32)CCCCCCC1 ZINC000043424620 175040219 /nfs/dbraw/zinc/04/02/19/175040219.db2.gz BBLFBQHQUWYWGA-LSDHHAIUSA-N 1 2 266.429 2.682 10 0 CFAELO COC(=O)[C@@H](CC(C)C)Nc1ccc([NH3+])cc1C ZINC000043430624 175043137 /nfs/dbraw/zinc/04/31/37/175043137.db2.gz JPYAOHFEARVCKF-CYBMUJFWSA-N 1 2 250.342 2.577 10 0 CFAELO c1ccc(-c2nnc([C@H]3[NH2+]CCc4ccccc43)[nH]2)cc1 ZINC000043601625 175077614 /nfs/dbraw/zinc/07/76/14/175077614.db2.gz QBCZRKKNEOQUDG-HNNXBMFYSA-N 1 2 276.343 2.707 10 0 CFAELO CC[N@H+](C[C@@H](NC)c1cc(C)ccc1OC)[C@@H](C)COC ZINC000043981097 175133943 /nfs/dbraw/zinc/13/39/43/175133943.db2.gz VZELNHYUWLLXGJ-GOEBONIOSA-N 1 2 294.439 2.621 10 0 CFAELO CC[N@@H+](C[C@@H](NC)c1cc(C)ccc1OC)[C@@H](C)COC ZINC000043981097 175133944 /nfs/dbraw/zinc/13/39/44/175133944.db2.gz VZELNHYUWLLXGJ-GOEBONIOSA-N 1 2 294.439 2.621 10 0 CFAELO O[C@@H]1c2ccccc2OC[C@@H]1[NH+]1CCCCCCC1 ZINC000044125267 175143920 /nfs/dbraw/zinc/14/39/20/175143920.db2.gz QMODATAVJAPUIG-GOEBONIOSA-N 1 2 261.365 2.747 10 0 CFAELO Nc1cc(-c2cccc(Cl)c2)[nH+]c(N2CCCC2)n1 ZINC000044263393 175157463 /nfs/dbraw/zinc/15/74/63/175157463.db2.gz HRXKLCNISIBUBW-UHFFFAOYSA-N 1 2 274.755 2.979 10 0 CFAELO CC[C@H]1CCCC[C@@H]1[NH2+]c1ccc(N)c(C(N)=O)c1 ZINC000044386352 175170102 /nfs/dbraw/zinc/17/01/02/175170102.db2.gz FFHRYCNCJGIVJO-HZMBPMFUSA-N 1 2 261.369 2.748 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n(C[C@@H]2CCCC[C@@H]2C)c1N ZINC000044590943 175212343 /nfs/dbraw/zinc/21/23/43/175212343.db2.gz USBTVRLDBCSMCE-JQWIXIFHSA-N 1 2 279.384 2.777 10 0 CFAELO CCOC(=O)c1[nH+]c(CC)n(CCC2CCCC2)c1N ZINC000044590872 175212503 /nfs/dbraw/zinc/21/25/03/175212503.db2.gz OVFXYKJWUBSYTH-UHFFFAOYSA-N 1 2 279.384 2.785 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H](C)c2ccccc2C)c1N ZINC000044591377 175213119 /nfs/dbraw/zinc/21/31/19/175213119.db2.gz MODGMKWQTWBFJB-LLVKDONJSA-N 1 2 287.363 2.868 10 0 CFAELO Cc1nnc([C@H]2[NH2+]CCc3sccc32)n1C1CCCC1 ZINC000044593046 175214244 /nfs/dbraw/zinc/21/42/44/175214244.db2.gz WLBCYGHHNSSUKP-AWEZNQCLSA-N 1 2 288.420 2.998 10 0 CFAELO Cc1cc(C[NH2+]Cc2cc3c(c(Cl)c2)OCO3)no1 ZINC000044692644 175233801 /nfs/dbraw/zinc/23/38/01/175233801.db2.gz QHEBJQOGIIOFDW-UHFFFAOYSA-N 1 2 280.711 2.655 10 0 CFAELO CC[C@@H](C)[C@H]([NH2+][C@@H]1CCCc2cc(O)ccc21)C(=O)OC ZINC000044747244 175242846 /nfs/dbraw/zinc/24/28/46/175242846.db2.gz IPDNVGNUGJEAAP-LYRGGWFBSA-N 1 2 291.391 2.947 10 0 CFAELO Cc1cc(CNc2ccc3cc(N)ccc3[nH+]2)on1 ZINC000044988312 175285352 /nfs/dbraw/zinc/28/53/52/175285352.db2.gz YJAZDJVKOPPEED-UHFFFAOYSA-N 1 2 254.293 2.726 10 0 CFAELO NC(=O)c1cc([N@@H+]2CCC[C@H]2C2CCCC2)ccc1N ZINC000045091952 175306391 /nfs/dbraw/zinc/30/63/91/175306391.db2.gz BXFQBVILCIALRA-HNNXBMFYSA-N 1 2 273.380 2.527 10 0 CFAELO NC(=O)c1cc([N@H+]2CCC[C@H]2C2CCCC2)ccc1N ZINC000045091952 175306392 /nfs/dbraw/zinc/30/63/92/175306392.db2.gz BXFQBVILCIALRA-HNNXBMFYSA-N 1 2 273.380 2.527 10 0 CFAELO CCC[NH2+][C@@](C)(C[N@H+](C)C1CCC(CC)CC1)C(=O)[O-] ZINC000045281078 175351909 /nfs/dbraw/zinc/35/19/09/175351909.db2.gz ORPXAKGBVKBYGW-XUJLQICISA-N 1 2 284.444 2.730 10 0 CFAELO CCC[NH2+][C@@](C)(C[N@@H+](C)C1CCC(CC)CC1)C(=O)[O-] ZINC000045281078 175351910 /nfs/dbraw/zinc/35/19/10/175351910.db2.gz ORPXAKGBVKBYGW-XUJLQICISA-N 1 2 284.444 2.730 10 0 CFAELO C[NH2+][C@@H](c1nnc([C@@H]2CCSC2)o1)c1ccccc1 ZINC000070438781 175933370 /nfs/dbraw/zinc/93/33/70/175933370.db2.gz LOXVAWJUJCSEDV-VXGBXAGGSA-N 1 2 275.377 2.599 10 0 CFAELO COC(=O)c1cc(CNc2c[nH+]ccc2C)oc1C ZINC000071413801 176159296 /nfs/dbraw/zinc/15/92/96/176159296.db2.gz HLIZHJJZTPDBGL-UHFFFAOYSA-N 1 2 260.293 2.690 10 0 CFAELO [NH3+]N1CCC[C@@H](c2ccc(Br)cc2)C1 ZINC000077609737 177286303 /nfs/dbraw/zinc/28/63/03/177286303.db2.gz NVMRFHQNTYDPQM-SNVBAGLBSA-N 1 2 255.159 2.502 10 0 CFAELO CC[C@H]([NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C)C(=O)OC ZINC000192863412 270235152 /nfs/dbraw/zinc/23/51/52/270235152.db2.gz RFYNSXQQGNKYTL-TUKIKUTGSA-N 1 2 261.365 2.770 10 0 CFAELO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)[nH]1 ZINC000392346676 270306584 /nfs/dbraw/zinc/30/65/84/270306584.db2.gz NPLJBYRUWHEEMD-HTQZYQBOSA-N 1 2 266.295 2.803 10 0 CFAELO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000392380092 270306766 /nfs/dbraw/zinc/30/67/66/270306766.db2.gz REZUMFRXBHEFFF-MNOVXSKESA-N 1 2 274.368 2.924 10 0 CFAELO CCC[C@@H]1CCCCN1c1nc[nH+]c(N)c1Cl ZINC000233299853 276273982 /nfs/dbraw/zinc/27/39/82/276273982.db2.gz UEFHQFLXFATRED-SECBINFHSA-N 1 2 254.765 2.871 10 0 CFAELO CCC[C@@H]1CCCCN1c1[nH+]cnc(N)c1Cl ZINC000233299853 276273984 /nfs/dbraw/zinc/27/39/84/276273984.db2.gz UEFHQFLXFATRED-SECBINFHSA-N 1 2 254.765 2.871 10 0 CFAELO COC(=O)[C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC000079026493 277132488 /nfs/dbraw/zinc/13/24/88/277132488.db2.gz ZINYYVDVYCVETJ-ZYHUDNBSSA-N 1 2 287.281 2.714 10 0 CFAELO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2F)C1 ZINC000071652500 277188983 /nfs/dbraw/zinc/18/89/83/277188983.db2.gz FHHDVDIBQWRTQV-CYBMUJFWSA-N 1 2 298.333 2.846 10 0 CFAELO CC(C)(O)C[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187859917 277316915 /nfs/dbraw/zinc/31/69/15/277316915.db2.gz FNSDBVHOMBJKSN-ZDUSSCGKSA-N 1 2 287.762 2.623 10 0 CFAELO CC(C)(O)C[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187859917 277316916 /nfs/dbraw/zinc/31/69/16/277316916.db2.gz FNSDBVHOMBJKSN-ZDUSSCGKSA-N 1 2 287.762 2.623 10 0 CFAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000181257623 279137436 /nfs/dbraw/zinc/13/74/36/279137436.db2.gz HPLDDDKZMNFWSI-JOYOIKCWSA-N 1 2 291.786 2.821 10 0 CFAELO CCn1cc[nH+]c1C[S@](=O)CC1CCCCC1 ZINC000081526891 280544233 /nfs/dbraw/zinc/54/42/33/280544233.db2.gz JFSKRNARHKFBED-KRWDZBQOSA-N 1 2 254.399 2.732 10 0 CFAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCCc2occc21 ZINC000192948004 288635912 /nfs/dbraw/zinc/63/59/12/288635912.db2.gz YXXNABGLRGGZMN-QWHCGFSZSA-N 1 2 286.379 2.936 10 0 CFAELO Cc1csc([C@H]2C[N@@H+]([C@@H]3C=CCCC3)CCO2)n1 ZINC000246299476 293063764 /nfs/dbraw/zinc/06/37/64/293063764.db2.gz WGZZVAJILXEIKJ-CHWSQXEVSA-N 1 2 264.394 2.934 10 0 CFAELO Cc1csc([C@H]2C[N@H+]([C@@H]3C=CCCC3)CCO2)n1 ZINC000246299476 293063768 /nfs/dbraw/zinc/06/37/68/293063768.db2.gz WGZZVAJILXEIKJ-CHWSQXEVSA-N 1 2 264.394 2.934 10 0 CFAELO Cc1cc(N2C[C@@H](C)OC[C@@H]2c2ccccc2)nc[nH+]1 ZINC000195538731 301343270 /nfs/dbraw/zinc/34/32/70/301343270.db2.gz WIXIEMHBJVCKJU-UKRRQHHQSA-N 1 2 269.348 2.751 10 0 CFAELO Cc1cccc(C[NH2+]Cc2nccn2-c2ccccc2)n1 ZINC000190804666 324043643 /nfs/dbraw/zinc/04/36/43/324043643.db2.gz XPBSSWOQYOBCRQ-UHFFFAOYSA-N 1 2 278.359 2.866 10 0 CFAELO CCCNc1snnc1C[N@H+](C)[C@@H](C)C(C)C ZINC000050814076 520202261 /nfs/dbraw/zinc/20/22/61/520202261.db2.gz LORVIOJCVUCUOY-JTQLQIEISA-N 1 2 256.419 2.836 10 0 CFAELO CCCNc1snnc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000050814076 520202271 /nfs/dbraw/zinc/20/22/71/520202271.db2.gz LORVIOJCVUCUOY-JTQLQIEISA-N 1 2 256.419 2.836 10 0 CFAELO CCCNc1snnc1C[N@H+](CC)CC(C)C ZINC000050812588 520202411 /nfs/dbraw/zinc/20/24/11/520202411.db2.gz VUZAOHRXFFPTFY-UHFFFAOYSA-N 1 2 256.419 2.838 10 0 CFAELO CCCNc1snnc1C[N@@H+](CC)CC(C)C ZINC000050812588 520202417 /nfs/dbraw/zinc/20/24/17/520202417.db2.gz VUZAOHRXFFPTFY-UHFFFAOYSA-N 1 2 256.419 2.838 10 0 CFAELO CCCNc1snnc1C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000050816720 520203484 /nfs/dbraw/zinc/20/34/84/520203484.db2.gz RGXFQFQJDJIYII-NSHDSACASA-N 1 2 298.456 2.607 10 0 CFAELO CCCNc1snnc1C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000050816720 520203492 /nfs/dbraw/zinc/20/34/92/520203492.db2.gz RGXFQFQJDJIYII-NSHDSACASA-N 1 2 298.456 2.607 10 0 CFAELO CCNc1snnc1C[N@H+](CC1CC1)C(C)C ZINC000050817606 520384625 /nfs/dbraw/zinc/38/46/25/520384625.db2.gz LZFIMRMQMMAQSE-UHFFFAOYSA-N 1 2 254.403 2.590 10 0 CFAELO CCNc1snnc1C[N@@H+](CC1CC1)C(C)C ZINC000050817606 520384630 /nfs/dbraw/zinc/38/46/30/520384630.db2.gz LZFIMRMQMMAQSE-UHFFFAOYSA-N 1 2 254.403 2.590 10 0 CFAELO CCC[C@H]1CCCCN1c1nc[nH+]c(N)c1Cl ZINC000233385747 500674736 /nfs/dbraw/zinc/67/47/36/500674736.db2.gz UEFHQFLXFATRED-VIFPVBQESA-N 1 2 254.765 2.871 10 0 CFAELO CCC[C@H]1CCCCN1c1[nH+]cnc(N)c1Cl ZINC000233385747 500674740 /nfs/dbraw/zinc/67/47/40/500674740.db2.gz UEFHQFLXFATRED-VIFPVBQESA-N 1 2 254.765 2.871 10 0 CFAELO CC(C)(C)c1ccc(NC(=O)c2cccc(NN)[nH+]2)cc1 ZINC000051089697 519038455 /nfs/dbraw/zinc/03/84/55/519038455.db2.gz ZVPCAGFBEVMHSZ-UHFFFAOYSA-N 1 2 284.363 2.917 10 0 CFAELO CC(C)=CC[N@@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000195388527 519426346 /nfs/dbraw/zinc/42/63/46/519426346.db2.gz UIXBBGLKROPIKQ-LBPRGKRZSA-N 1 2 252.383 2.791 10 0 CFAELO CC(C)=CC[N@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000195388527 519426352 /nfs/dbraw/zinc/42/63/52/519426352.db2.gz UIXBBGLKROPIKQ-LBPRGKRZSA-N 1 2 252.383 2.791 10 0 CFAELO CC(C)CC[C@H](C)Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000069235643 519692054 /nfs/dbraw/zinc/69/20/54/519692054.db2.gz OFBMXAFBMOIONK-JTQLQIEISA-N 1 2 294.790 2.947 10 0 CFAELO CCCCCCOCC[C@H]([NH2+]CCC)C(=O)OC ZINC000062542368 520099789 /nfs/dbraw/zinc/09/97/89/520099789.db2.gz IAWHPDJFIREMLM-ZDUSSCGKSA-N 1 2 259.390 2.515 10 0 CFAELO CC[NH2+][C@@H](c1nnc([C@H]2C[C@@H]2C)o1)c1ccccc1 ZINC000050618095 520116391 /nfs/dbraw/zinc/11/63/91/520116391.db2.gz BMTIWJFAXJRRKN-WCFLWFBJSA-N 1 2 257.337 2.892 10 0 CFAELO CC[NH2+][C@@](C)(CSc1cccc(C)c1)C(=O)OC ZINC000045595665 520137470 /nfs/dbraw/zinc/13/74/70/520137470.db2.gz WXHIJASETPMORJ-AWEZNQCLSA-N 1 2 267.394 2.628 10 0 CFAELO CCNc1ccc(Cn2ccc(=O)c3ccccc32)c[nH+]1 ZINC000050830057 520316955 /nfs/dbraw/zinc/31/69/55/520316955.db2.gz SZJJTWZBYIVXPQ-UHFFFAOYSA-N 1 2 279.343 2.877 10 0 CFAELO CCNc1cc[nH+]c(-c2ccc3c(c2)CCCN3C)n1 ZINC000050865683 520343608 /nfs/dbraw/zinc/34/36/08/520343608.db2.gz ONNBHGHGOSAIJV-UHFFFAOYSA-N 1 2 268.364 2.958 10 0 CFAELO CCNc1[nH+]cnc2c1cnn2-c1ccccc1C ZINC000062366811 520383028 /nfs/dbraw/zinc/38/30/28/520383028.db2.gz AYUQOJUCHHOBRV-UHFFFAOYSA-N 1 2 253.309 2.556 10 0 CFAELO CCN(CC)C(=O)C[N@H+](C)Cc1ccc2ccccc2n1 ZINC000078526156 520474049 /nfs/dbraw/zinc/47/40/49/520474049.db2.gz HCABWVTXHUAXRQ-UHFFFAOYSA-N 1 2 285.391 2.535 10 0 CFAELO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000078526156 520474055 /nfs/dbraw/zinc/47/40/55/520474055.db2.gz HCABWVTXHUAXRQ-UHFFFAOYSA-N 1 2 285.391 2.535 10 0 CFAELO CCOc1cc(C[NH2+][C@H](C)c2ncc(C)o2)ccc1O ZINC000231740531 520730324 /nfs/dbraw/zinc/73/03/24/520730324.db2.gz CRVPBLWXRHHASM-LLVKDONJSA-N 1 2 276.336 2.938 10 0 CFAELO CCC(=O)Nc1ccc(NCc2c[nH+]c(C)[nH]2)cc1 ZINC000054821968 521212518 /nfs/dbraw/zinc/21/25/18/521212518.db2.gz TTYNXGKAVYZAHW-UHFFFAOYSA-N 1 2 258.325 2.679 10 0 CFAELO CCC(=O)Nc1ccc(NCc2c[nH]c(C)[nH+]2)cc1 ZINC000054821968 521212524 /nfs/dbraw/zinc/21/25/24/521212524.db2.gz TTYNXGKAVYZAHW-UHFFFAOYSA-N 1 2 258.325 2.679 10 0 CFAELO CCOC(=O)[C@](C)(COC1CCC(C)CC1)[NH2+]C(C)C ZINC000045479200 521319517 /nfs/dbraw/zinc/31/95/17/521319517.db2.gz WRTVBDSCONGXFH-XUJLQICISA-N 1 2 285.428 2.902 10 0 CFAELO COc1c(C)c[nH+]c(CN[C@H](C)c2ncc(C)o2)c1C ZINC000220930883 521811725 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/nfs/dbraw/zinc/58/25/03/529582503.db2.gz LNWCIPUXQNATQO-SFHVURJKSA-N 1 2 262.378 2.660 10 0 CFAELO CCn1cc[nH+]c1C[S@](=O)c1cc(C)ccc1C ZINC000177291748 529582695 /nfs/dbraw/zinc/58/26/95/529582695.db2.gz SFFMLJOXYUNAOL-SFHVURJKSA-N 1 2 262.378 2.828 10 0 CFAELO CC(C)(C)OC(=O)[C@@]1([NH+]2CCCCC2)C=CC(=O)CC1 ZINC000071606289 346922654 /nfs/dbraw/zinc/92/26/54/346922654.db2.gz FGDZFTFMYPFFGQ-MRXNPFEDSA-N 1 2 279.380 2.955 10 0 CFAELO CCc1csc([C@@H]2CCC[N@H+](Cc3csnn3)C2)n1 ZINC000127905544 187340366 /nfs/dbraw/zinc/34/03/66/187340366.db2.gz YVQJRLUWSYNAOG-SNVBAGLBSA-N 1 2 294.449 2.937 10 0 CFAELO CCc1csc([C@@H]2CCC[N@@H+](Cc3csnn3)C2)n1 ZINC000127905544 187340367 /nfs/dbraw/zinc/34/03/67/187340367.db2.gz YVQJRLUWSYNAOG-SNVBAGLBSA-N 1 2 294.449 2.937 10 0 CFAELO COc1ccc(C[NH2+][C@@H](C)c2ncc(C)o2)c(F)c1 ZINC000220952386 539471431 /nfs/dbraw/zinc/47/14/31/539471431.db2.gz FIZCYYWMQKKVRH-JTQLQIEISA-N 1 2 264.300 2.982 10 0 CFAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cnc(C)s1 ZINC000090228040 539527786 /nfs/dbraw/zinc/52/77/86/539527786.db2.gz PKRNDEQFJQYBEX-KCJUWKMLSA-N 1 2 277.397 2.537 10 0 CFAELO c1[nH]cc([C@@H]2CC[C@@H](COCc3ccccc3)O2)[nH+]1 ZINC000013524111 346232027 /nfs/dbraw/zinc/23/20/27/346232027.db2.gz RETVAMKTDRMQFH-ZFWWWQNUSA-N 1 2 258.321 2.847 10 0 CFAELO c1[nH]c([C@@H]2CC[C@@H](COCc3ccccc3)O2)c[nH+]1 ZINC000013524111 346232030 /nfs/dbraw/zinc/23/20/30/346232030.db2.gz RETVAMKTDRMQFH-ZFWWWQNUSA-N 1 2 258.321 2.847 10 0 CFAELO COP(=O)(OC)C([N+]#N)C(=O)OC(C)(C)C ZINC000136772576 347910629 /nfs/dbraw/zinc/91/06/29/347910629.db2.gz DYYNMGAMTKTVQH-UHFFFAOYSA-O 1 2 251.199 2.825 10 0 CFAELO Cc1nn(-c2cc[nH+]cc2Br)cc1Cl ZINC000159969955 348015182 /nfs/dbraw/zinc/01/51/82/348015182.db2.gz CBVHJHMZWPPGSR-UHFFFAOYSA-N 1 2 272.533 2.992 10 0 CFAELO c1cn(-c2cccc(N[C@@H]3CCCOCC3)c2)c[nH+]1 ZINC000086870831 179364172 /nfs/dbraw/zinc/36/41/72/179364172.db2.gz RYGQQYUDYTXRCW-CYBMUJFWSA-N 1 2 257.337 2.853 10 0 CFAELO COC(=O)c1cccnc1C[N@H+](C)Cc1ccsc1 ZINC000305901635 348383086 /nfs/dbraw/zinc/38/30/86/348383086.db2.gz BEXVLXYCPBZBSA-UHFFFAOYSA-N 1 2 276.361 2.562 10 0 CFAELO COC(=O)c1cccnc1C[N@@H+](C)Cc1ccsc1 ZINC000305901635 348383090 /nfs/dbraw/zinc/38/30/90/348383090.db2.gz BEXVLXYCPBZBSA-UHFFFAOYSA-N 1 2 276.361 2.562 10 0 CFAELO CCn1cc(C(F)F)c(-c2cc(C)[nH+]c(N)c2)n1 ZINC000725270254 539627805 /nfs/dbraw/zinc/62/78/05/539627805.db2.gz KBXMAWKGVHJJLV-UHFFFAOYSA-N 1 2 252.268 2.793 10 0 CFAELO CSC1CC[NH+](Cc2cc(Br)no2)CC1 ZINC000306806266 348392670 /nfs/dbraw/zinc/39/26/70/348392670.db2.gz JDTAGJYIRAKODJ-UHFFFAOYSA-N 1 2 291.214 2.765 10 0 CFAELO [NH3+][C@@H](c1ccco1)c1nscc1Br ZINC000404778305 348594937 /nfs/dbraw/zinc/59/49/37/348594937.db2.gz MDULLTKYXBGELO-ZETCQYMHSA-N 1 2 259.128 2.547 10 0 CFAELO O[C@H](Cc1c2[nH]cccc2c2c[nH+]cn21)c1ccccc1 ZINC000584590441 348681340 /nfs/dbraw/zinc/68/13/40/348681340.db2.gz NRJXRKXLHMLGSN-GDBMZVCRSA-N 1 2 277.327 2.972 10 0 CFAELO O[C@H](C[C@@H]1c2ncccc2-c2c[nH+]cn21)c1ccccc1 ZINC000584590441 348681344 /nfs/dbraw/zinc/68/13/44/348681344.db2.gz NRJXRKXLHMLGSN-GDBMZVCRSA-N 1 2 277.327 2.972 10 0 CFAELO CCOC(=O)[C@@H]1CC[N@@H+](c2ccc(N)c3ccccc32)C1 ZINC000584633998 348697605 /nfs/dbraw/zinc/69/76/05/348697605.db2.gz WMVLJRFSLQCXLI-GFCCVEGCSA-N 1 2 284.359 2.811 10 0 CFAELO CCOC(=O)[C@@H]1CC[N@H+](c2ccc(N)c3ccccc32)C1 ZINC000584633998 348697608 /nfs/dbraw/zinc/69/76/08/348697608.db2.gz WMVLJRFSLQCXLI-GFCCVEGCSA-N 1 2 284.359 2.811 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccccc1C)C2 ZINC000220589711 539753373 /nfs/dbraw/zinc/75/33/73/539753373.db2.gz NNUDUJCUYYNMFH-LBPRGKRZSA-N 1 2 269.348 2.770 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccccc1C)CC2 ZINC000220589711 539753377 /nfs/dbraw/zinc/75/33/77/539753377.db2.gz NNUDUJCUYYNMFH-LBPRGKRZSA-N 1 2 269.348 2.770 10 0 CFAELO Cc1cnn([C@@H]2CCC[N@H+](Cc3nccn3C(F)F)C2)c1 ZINC000105900846 186088230 /nfs/dbraw/zinc/08/82/30/186088230.db2.gz GMWJOSAHZXUESX-GFCCVEGCSA-N 1 2 295.337 2.620 10 0 CFAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3nccn3C(F)F)C2)c1 ZINC000105900846 186088233 /nfs/dbraw/zinc/08/82/33/186088233.db2.gz GMWJOSAHZXUESX-GFCCVEGCSA-N 1 2 295.337 2.620 10 0 CFAELO Cc1cnn([C@H]2CCC[N@H+](Cc3nccn3C(F)F)C2)c1 ZINC000105900847 186088343 /nfs/dbraw/zinc/08/83/43/186088343.db2.gz GMWJOSAHZXUESX-LBPRGKRZSA-N 1 2 295.337 2.620 10 0 CFAELO Cc1cnn([C@H]2CCC[N@@H+](Cc3nccn3C(F)F)C2)c1 ZINC000105900847 186088345 /nfs/dbraw/zinc/08/83/45/186088345.db2.gz GMWJOSAHZXUESX-LBPRGKRZSA-N 1 2 295.337 2.620 10 0 CFAELO c1nn[nH]c1[C@@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC000616622817 352387861 /nfs/dbraw/zinc/38/78/61/352387861.db2.gz HJDOLMOUWHHQLX-HNNXBMFYSA-N 1 2 256.353 2.922 10 0 CFAELO c1nn[nH]c1[C@@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000616622817 352387864 /nfs/dbraw/zinc/38/78/64/352387864.db2.gz HJDOLMOUWHHQLX-HNNXBMFYSA-N 1 2 256.353 2.922 10 0 CFAELO c1n[nH]nc1[C@@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC000616622817 352387867 /nfs/dbraw/zinc/38/78/67/352387867.db2.gz HJDOLMOUWHHQLX-HNNXBMFYSA-N 1 2 256.353 2.922 10 0 CFAELO c1n[nH]nc1[C@@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000616622817 352387872 /nfs/dbraw/zinc/38/78/72/352387872.db2.gz HJDOLMOUWHHQLX-HNNXBMFYSA-N 1 2 256.353 2.922 10 0 CFAELO [NH3+]CC[N@@H+]1CCCC[C@@H]1c1cccc2ccncc21 ZINC000616626627 352389877 /nfs/dbraw/zinc/38/98/77/352389877.db2.gz TWHUXCCHKJRUCF-MRXNPFEDSA-N 1 2 255.365 2.721 10 0 CFAELO [NH3+]CC[N@H+]1CCCC[C@@H]1c1cccc2ccncc21 ZINC000616626627 352389881 /nfs/dbraw/zinc/38/98/81/352389881.db2.gz TWHUXCCHKJRUCF-MRXNPFEDSA-N 1 2 255.365 2.721 10 0 CFAELO CC(C)(C)OC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)CC1 ZINC000616630711 352392909 /nfs/dbraw/zinc/39/29/09/352392909.db2.gz WDJIICLYILNRAF-NSHDSACASA-N 1 2 265.357 2.914 10 0 CFAELO CC(C)N1C[C@H](c2ccc(N)[nH+]c2)Nc2ccccc21 ZINC000616684331 352412134 /nfs/dbraw/zinc/41/21/34/352412134.db2.gz XAWWMDUDFQHCKY-CQSZACIVSA-N 1 2 268.364 2.876 10 0 CFAELO CCOC(=O)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000616672349 352406724 /nfs/dbraw/zinc/40/67/24/352406724.db2.gz QXSUVLWFYCBLEJ-ZDUSSCGKSA-N 1 2 271.320 2.643 10 0 CFAELO CCOC(=O)N1C[C@H](c2c[nH+]c[nH]2)Cc2ccccc21 ZINC000616671872 352407118 /nfs/dbraw/zinc/40/71/18/352407118.db2.gz VTKDRQJUPCUKRB-GFCCVEGCSA-N 1 2 271.320 2.713 10 0 CFAELO CCOC(=O)N1C[C@H](c2c[nH]c[nH+]2)Cc2ccccc21 ZINC000616671872 352407120 /nfs/dbraw/zinc/40/71/20/352407120.db2.gz VTKDRQJUPCUKRB-GFCCVEGCSA-N 1 2 271.320 2.713 10 0 CFAELO CCOC(=O)N1CC[C@H](c2ccc(N)[nH+]c2)c2ccccc21 ZINC000616673580 352407799 /nfs/dbraw/zinc/40/77/99/352407799.db2.gz CNGXSMPQVYKAEZ-CYBMUJFWSA-N 1 2 297.358 2.993 10 0 CFAELO Cc1cc(NC[C@@H]2CCCC[C@@H]2O)nc(-c2cccnc2)[nH+]1 ZINC000156862077 188285496 /nfs/dbraw/zinc/28/54/96/188285496.db2.gz WYUZIVSWLBVZFJ-ZFWWWQNUSA-N 1 2 298.390 2.810 10 0 CFAELO C[C@H](CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1)c1cccnc1 ZINC000329373466 202305800 /nfs/dbraw/zinc/30/58/00/202305800.db2.gz NADXVRKCRVZZNR-OCCSQVGLSA-N 1 2 284.363 2.662 10 0 CFAELO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(F)c(F)c1 ZINC000176687371 189004328 /nfs/dbraw/zinc/00/43/28/189004328.db2.gz JLAGBFQQEXPMJH-TVQRCGJNSA-N 1 2 278.306 2.742 10 0 CFAELO CC(C)n1cc[nH+]c1C[S@@](=O)c1ccc(F)cc1 ZINC000177073155 189026824 /nfs/dbraw/zinc/02/68/24/189026824.db2.gz VJXMKCGMYGDRPG-GOSISDBHSA-N 1 2 266.341 2.911 10 0 CFAELO CCOc1cccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177802667 189070747 /nfs/dbraw/zinc/07/07/47/189070747.db2.gz RJYHGLNOCJTCTP-OAHLLOKOSA-N 1 2 299.374 2.587 10 0 CFAELO O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177769785 189068815 /nfs/dbraw/zinc/06/88/15/189068815.db2.gz UPCQPQFQPZSIAQ-QGZVFWFLSA-N 1 2 295.386 2.677 10 0 CFAELO CC(C)c1nnc(C[N@@H+]2CCC[C@H]2c2ccncc2)n1C ZINC000179570589 189202815 /nfs/dbraw/zinc/20/28/15/189202815.db2.gz LVDXJGIWEPDRHU-AWEZNQCLSA-N 1 2 285.395 2.671 10 0 CFAELO CC(C)c1nnc(C[N@H+]2CCC[C@H]2c2ccncc2)n1C ZINC000179570589 189202816 /nfs/dbraw/zinc/20/28/16/189202816.db2.gz LVDXJGIWEPDRHU-AWEZNQCLSA-N 1 2 285.395 2.671 10 0 CFAELO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2F)[nH]1 ZINC000392359749 541012431 /nfs/dbraw/zinc/01/24/31/541012431.db2.gz WQJSKKXKYJDOKN-HTQZYQBOSA-N 1 2 266.295 2.803 10 0 CFAELO CC[S@](=O)[C@@H]1CCC[C@H](Nc2cccc[nH+]2)C1 ZINC000301536139 201053315 /nfs/dbraw/zinc/05/33/15/201053315.db2.gz IYRAGADZICEHLW-JKDFXYPNSA-N 1 2 252.383 2.573 10 0 CFAELO Cc1cc(NCC2(O)CCSCC2)nc(C(C)C)[nH+]1 ZINC000301570523 201073095 /nfs/dbraw/zinc/07/30/95/201073095.db2.gz XWKKRBRMTOYWKE-UHFFFAOYSA-N 1 2 281.425 2.578 10 0 CFAELO CC1(CCNc2ccc3ccccc3[nH+]2)OCCO1 ZINC000302152323 201369575 /nfs/dbraw/zinc/36/95/75/201369575.db2.gz KYKOVSCQIMZXIU-UHFFFAOYSA-N 1 2 258.321 2.800 10 0 CFAELO CCCCN(C)c1nc(NC)c(Br)c[nH+]1 ZINC000302138507 201359013 /nfs/dbraw/zinc/35/90/13/201359013.db2.gz IPRWJZUMENZZNP-UHFFFAOYSA-N 1 2 273.178 2.517 10 0 CFAELO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ncn(C)n2)s1 ZINC000275733444 193116134 /nfs/dbraw/zinc/11/61/34/193116134.db2.gz PLOAXFZLQNXIHC-UWVGGRQHSA-N 1 2 264.398 2.851 10 0 CFAELO C[C@H]([NH2+]CC(=O)N(C)C)c1c(Cl)ccc(F)c1Cl ZINC000035791427 372551306 /nfs/dbraw/zinc/55/13/06/372551306.db2.gz HLVXBMGLWCLKCZ-ZETCQYMHSA-N 1 2 293.169 2.871 10 0 CFAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3c(=O)[nH]2)o1 ZINC000037976277 372743757 /nfs/dbraw/zinc/74/37/57/372743757.db2.gz DRBAFOPRZFCBHL-LLVKDONJSA-N 1 2 283.331 2.675 10 0 CFAELO COC1(C[N@@H+]2CCC[C@H]2c2noc(C(C)C)n2)CCC1 ZINC000333515621 205395565 /nfs/dbraw/zinc/39/55/65/205395565.db2.gz GAUXTLRCLZYDKD-LBPRGKRZSA-N 1 2 279.384 2.899 10 0 CFAELO COC1(C[N@H+]2CCC[C@H]2c2noc(C(C)C)n2)CCC1 ZINC000333515621 205395569 /nfs/dbraw/zinc/39/55/69/205395569.db2.gz GAUXTLRCLZYDKD-LBPRGKRZSA-N 1 2 279.384 2.899 10 0 CFAELO O=C(CC1CCCCC1)NCc1cn2c([nH+]1)CCCC2 ZINC000058430384 373659403 /nfs/dbraw/zinc/65/94/03/373659403.db2.gz XEKFSGFXLIOBNQ-UHFFFAOYSA-N 1 2 275.396 2.806 10 0 CFAELO c1cncc(CNc2nc(C3CC3)[nH+]c3c2CCC3)c1 ZINC000065288125 373853718 /nfs/dbraw/zinc/85/37/18/373853718.db2.gz AHNCJBLRIQBFSP-UHFFFAOYSA-N 1 2 266.348 2.850 10 0 CFAELO Cc1cc(N2CCC(=O)CC2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070452103 374179922 /nfs/dbraw/zinc/17/99/22/374179922.db2.gz BKQRRXBRWSYRBQ-UHFFFAOYSA-N 1 2 285.322 2.760 10 0 CFAELO COC(=O)[C@H]1C[C@H](c2ccccc2C(F)(F)F)CC[NH2+]1 ZINC000079026240 284447490 /nfs/dbraw/zinc/44/74/90/284447490.db2.gz IKKSKCBRAAOZKL-BXKDBHETSA-N 1 2 287.281 2.714 10 0 CFAELO COC(=O)[C@@H]1CC[C@@H](c2ccccc2C(F)(F)F)C[NH2+]1 ZINC000079026523 374584854 /nfs/dbraw/zinc/58/48/54/374584854.db2.gz DXZSCIGVWVIXON-SKDRFNHKSA-N 1 2 287.281 2.714 10 0 CFAELO CC(=O)Cc1cc(-c2ccn3cc[nH+]c3c2)ccn1 ZINC000089201324 374886610 /nfs/dbraw/zinc/88/66/10/374886610.db2.gz ZFTIZSGTTFAOJC-UHFFFAOYSA-N 1 2 251.289 2.528 10 0 CFAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cnc(C)s1 ZINC000090419208 375013976 /nfs/dbraw/zinc/01/39/76/375013976.db2.gz WELXOWKCVIZQQI-ONGXEEELSA-N 1 2 291.424 2.791 10 0 CFAELO CCc1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)o1 ZINC000092831558 375162850 /nfs/dbraw/zinc/16/28/50/375162850.db2.gz UYGHCENXVMMRMN-ZDUSSCGKSA-N 1 2 278.377 2.872 10 0 CFAELO CCc1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)o1 ZINC000092831558 375162854 /nfs/dbraw/zinc/16/28/54/375162854.db2.gz UYGHCENXVMMRMN-ZDUSSCGKSA-N 1 2 278.377 2.872 10 0 CFAELO CN(c1cccc[nH+]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095074643 375406708 /nfs/dbraw/zinc/40/67/08/375406708.db2.gz ZTZLRCNUKZMAMZ-UHFFFAOYSA-N 1 2 291.395 2.917 10 0 CFAELO C[C@@H](c1ccc[nH]1)[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095089129 375411829 /nfs/dbraw/zinc/41/18/29/375411829.db2.gz XWSDULPUIVYOQD-LBPRGKRZSA-N 1 2 279.384 2.628 10 0 CFAELO C[C@@H](c1nccs1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000095088962 375412200 /nfs/dbraw/zinc/41/22/00/375412200.db2.gz OCBBDKLWWCYNJN-QWRGUYRKSA-N 1 2 297.424 2.803 10 0 CFAELO C[C@@H](c1nccs1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000095088962 375412206 /nfs/dbraw/zinc/41/22/06/375412206.db2.gz OCBBDKLWWCYNJN-QWRGUYRKSA-N 1 2 297.424 2.803 10 0 CFAELO Nc1[nH+]cnc2[nH]nc(-c3ccc(F)c(C(F)(F)F)c3)c21 ZINC000096151735 375470563 /nfs/dbraw/zinc/47/05/63/375470563.db2.gz KJJCFGSVGYZURI-UHFFFAOYSA-N 1 2 297.215 2.760 10 0 CFAELO C[N@@H+]1CCC(=O)[C@@H](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000261508088 190040403 /nfs/dbraw/zinc/04/04/03/190040403.db2.gz POXXQMLFYLCZDU-NSHDSACASA-N 1 2 271.282 2.769 10 0 CFAELO C[N@H+]1CCC(=O)[C@@H](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000261508088 190040404 /nfs/dbraw/zinc/04/04/04/190040404.db2.gz POXXQMLFYLCZDU-NSHDSACASA-N 1 2 271.282 2.769 10 0 CFAELO COc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(C)o2)cc1OC ZINC000112531143 375927520 /nfs/dbraw/zinc/92/75/20/375927520.db2.gz VZXSRLBJWDWHBC-UWVGGRQHSA-N 1 2 291.351 2.807 10 0 CFAELO COC(=O)c1occc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483871 376069120 /nfs/dbraw/zinc/06/91/20/376069120.db2.gz WJFKODIWERTTKZ-CYBMUJFWSA-N 1 2 289.335 2.517 10 0 CFAELO COC(=O)c1occc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483871 376069125 /nfs/dbraw/zinc/06/91/25/376069125.db2.gz WJFKODIWERTTKZ-CYBMUJFWSA-N 1 2 289.335 2.517 10 0 CFAELO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000117876607 376264195 /nfs/dbraw/zinc/26/41/95/376264195.db2.gz ILHQHOWZEKQDIQ-MRXNPFEDSA-N 1 2 299.374 2.503 10 0 CFAELO Cc1cc(NC(=O)N2CCC(c3cc[nH]n3)CC2)cc[nH+]1 ZINC000119711983 376459237 /nfs/dbraw/zinc/45/92/37/376459237.db2.gz DSLXKDPOYNDGKJ-UHFFFAOYSA-N 1 2 285.351 2.525 10 0 CFAELO O[C@H]1C[C@H](c2cc(F)ccc2F)[N@H+](Cc2cccnc2)C1 ZINC000121395146 376819968 /nfs/dbraw/zinc/81/99/68/376819968.db2.gz IGRFGLOXLVYYBC-XJKSGUPXSA-N 1 2 290.313 2.668 10 0 CFAELO O[C@H]1C[C@H](c2cc(F)ccc2F)[N@@H+](Cc2cccnc2)C1 ZINC000121395146 376819973 /nfs/dbraw/zinc/81/99/73/376819973.db2.gz IGRFGLOXLVYYBC-XJKSGUPXSA-N 1 2 290.313 2.668 10 0 CFAELO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)s1 ZINC000127512041 377286236 /nfs/dbraw/zinc/28/62/36/377286236.db2.gz AEQSBDSNOAMGMJ-UWVGGRQHSA-N 1 2 291.424 2.791 10 0 CFAELO Cc1csc([C@H]2CCC[N@H+](Cc3csnn3)C2)n1 ZINC000127581115 377289630 /nfs/dbraw/zinc/28/96/30/377289630.db2.gz 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382473077 /nfs/dbraw/zinc/47/30/77/382473077.db2.gz PCNHGCXDSUFBBT-CQSZACIVSA-N 1 2 250.411 2.727 10 0 CFAELO C[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000189005355 382523046 /nfs/dbraw/zinc/52/30/46/382523046.db2.gz JQRFFDPPUWBPCC-DOMZBBRYSA-N 1 2 299.374 2.841 10 0 CFAELO Cc1ccc(C(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000328617651 382554720 /nfs/dbraw/zinc/55/47/20/382554720.db2.gz CYWWYHRSRIKINP-OAHLLOKOSA-N 1 2 297.402 2.835 10 0 CFAELO CCC(C)(C)Nc1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000043408210 184559118 /nfs/dbraw/zinc/55/91/18/184559118.db2.gz DJIJWVRCMIVKTQ-UHFFFAOYSA-N 1 2 263.410 2.805 10 0 CFAELO CC(C)OCCC[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000190816175 382681297 /nfs/dbraw/zinc/68/12/97/382681297.db2.gz AOGSABQVIODPLJ-GOSISDBHSA-N 1 2 272.414 2.528 10 0 CFAELO C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000191217124 382696147 /nfs/dbraw/zinc/69/61/47/382696147.db2.gz KDAIRNSYCNHITI-BXUZGUMPSA-N 1 2 285.347 2.830 10 0 CFAELO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2nc(N(C)C)no2)o1 ZINC000192727340 382711634 /nfs/dbraw/zinc/71/16/34/382711634.db2.gz MBCBSCXRBARELV-LBPRGKRZSA-N 1 2 290.367 2.764 10 0 CFAELO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2nc(N(C)C)no2)o1 ZINC000192727340 382711635 /nfs/dbraw/zinc/71/16/35/382711635.db2.gz MBCBSCXRBARELV-LBPRGKRZSA-N 1 2 290.367 2.764 10 0 CFAELO CCCCOC[C@@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000193253796 382717417 /nfs/dbraw/zinc/71/74/17/382717417.db2.gz YYRATTBJLZYESD-HNNXBMFYSA-N 1 2 274.364 2.728 10 0 CFAELO [NH3+][C@H]1CC[C@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 ZINC000232398300 382868718 /nfs/dbraw/zinc/86/87/18/382868718.db2.gz HOEAACPCJHAPJL-BQBZGAKWSA-N 1 2 289.162 2.765 10 0 CFAELO CC(C)n1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)n1 ZINC000247039011 383135984 /nfs/dbraw/zinc/13/59/84/383135984.db2.gz IUNHFZJONDWKPC-CABCVRRESA-N 1 2 263.385 2.607 10 0 CFAELO CC(C)n1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)n1 ZINC000247039011 383135989 /nfs/dbraw/zinc/13/59/89/383135989.db2.gz IUNHFZJONDWKPC-CABCVRRESA-N 1 2 263.385 2.607 10 0 CFAELO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246728711 383096680 /nfs/dbraw/zinc/09/66/80/383096680.db2.gz LCARQLDNRNHDCE-WDEREUQCSA-N 1 2 290.392 2.630 10 0 CFAELO C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCS[C@@H](C)C1 ZINC000246728711 383096682 /nfs/dbraw/zinc/09/66/82/383096682.db2.gz LCARQLDNRNHDCE-WDEREUQCSA-N 1 2 290.392 2.630 10 0 CFAELO CCOCCN1CC[N@@H+]([C@H](C)c2ccccc2F)C[C@H]1C ZINC000247604705 383186639 /nfs/dbraw/zinc/18/66/39/383186639.db2.gz LLKVCMQFIDHPRL-HUUCEWRRSA-N 1 2 294.414 2.929 10 0 CFAELO CCOCCN1CC[N@H+]([C@H](C)c2ccccc2F)C[C@H]1C ZINC000247604705 383186642 /nfs/dbraw/zinc/18/66/42/383186642.db2.gz LLKVCMQFIDHPRL-HUUCEWRRSA-N 1 2 294.414 2.929 10 0 CFAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nc(C)cs1 ZINC000248296286 383222664 /nfs/dbraw/zinc/22/26/64/383222664.db2.gz YVRACVRTZDFPRP-AVGNSLFASA-N 1 2 294.420 2.758 10 0 CFAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nc(C)cs1 ZINC000248296286 383222669 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ZINC000163967278 542592883 /nfs/dbraw/zinc/59/28/83/542592883.db2.gz GLNGYKPBGAWGMA-SNVBAGLBSA-N 1 2 273.311 2.601 10 0 CFAELO Cc1ccc2ncc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)n2c1 ZINC000245547944 131086759 /nfs/dbraw/zinc/08/67/59/131086759.db2.gz WXYVESSVPDMVIJ-HZPDHXFCSA-N 1 2 285.391 2.786 10 0 CFAELO Cc1ccc2ncc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)n2c1 ZINC000245547944 131086761 /nfs/dbraw/zinc/08/67/61/131086761.db2.gz WXYVESSVPDMVIJ-HZPDHXFCSA-N 1 2 285.391 2.786 10 0 CFAELO Cc1ccc2[nH+]cc(CN3CCO[C@@H]4CCCC[C@H]43)n2c1 ZINC000245547944 131086762 /nfs/dbraw/zinc/08/67/62/131086762.db2.gz WXYVESSVPDMVIJ-HZPDHXFCSA-N 1 2 285.391 2.786 10 0 CFAELO O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@H+](Cc2cccnc2)C1 ZINC000246618577 131096088 /nfs/dbraw/zinc/09/60/88/131096088.db2.gz IGRFGLOXLVYYBC-CJNGLKHVSA-N 1 2 290.313 2.668 10 0 CFAELO O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@@H+](Cc2cccnc2)C1 ZINC000246618577 131096089 /nfs/dbraw/zinc/09/60/89/131096089.db2.gz IGRFGLOXLVYYBC-CJNGLKHVSA-N 1 2 290.313 2.668 10 0 CFAELO CC(C)C[C@H](C)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000184841989 393530249 /nfs/dbraw/zinc/53/02/49/393530249.db2.gz BDHOTSVVNYYNFR-UONOGXRCSA-N 1 2 263.385 2.556 10 0 CFAELO CCn1cc[nH+]c1C[S@](=O)Cc1c(C)cccc1C ZINC000083036540 393740651 /nfs/dbraw/zinc/74/06/51/393740651.db2.gz UOHJEGKHQHIYCU-IBGZPJMESA-N 1 2 276.405 2.969 10 0 CFAELO CCOc1ccccc1C[S@](=O)Cc1[nH+]ccn1CC ZINC000083033401 393740792 /nfs/dbraw/zinc/74/07/92/393740792.db2.gz GDLYEWLQQXPIKC-HXUWFJFHSA-N 1 2 292.404 2.751 10 0 CFAELO CCn1cc[nH+]c1CSCc1noc(C(C)C)n1 ZINC000083633491 393744399 /nfs/dbraw/zinc/74/43/99/393744399.db2.gz QBOCNEDRRPQYCK-UHFFFAOYSA-N 1 2 266.370 2.843 10 0 CFAELO Clc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)ccn1 ZINC000227041399 393771790 /nfs/dbraw/zinc/77/17/90/393771790.db2.gz NZXDQARXDMPLLZ-OLZOCXBDSA-N 1 2 266.772 2.878 10 0 CFAELO Clc1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)ccn1 ZINC000227041399 393771792 /nfs/dbraw/zinc/77/17/92/393771792.db2.gz NZXDQARXDMPLLZ-OLZOCXBDSA-N 1 2 266.772 2.878 10 0 CFAELO C[C@H]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)c2ccccc21 ZINC000132836212 394164377 /nfs/dbraw/zinc/16/43/77/394164377.db2.gz SITVQHHMUKSCKP-BBRMVZONSA-N 1 2 298.390 2.821 10 0 CFAELO C[C@@H]1CC[C@@H](C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)O1 ZINC000133243576 394173241 /nfs/dbraw/zinc/17/32/41/394173241.db2.gz JGGGCDUFTZUVQW-RISCZKNCSA-N 1 2 285.347 2.593 10 0 CFAELO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000171410841 394372373 /nfs/dbraw/zinc/37/23/73/394372373.db2.gz OIRVMNCGGVYHMH-CQSZACIVSA-N 1 2 273.384 2.535 10 0 CFAELO CC(C)n1ccnc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000171410841 394372375 /nfs/dbraw/zinc/37/23/75/394372375.db2.gz OIRVMNCGGVYHMH-CQSZACIVSA-N 1 2 273.384 2.535 10 0 CFAELO COc1ccc[nH+]c1NCC1C[C@@H](C)O[C@H](C)C1 ZINC000528001313 394437532 /nfs/dbraw/zinc/43/75/32/394437532.db2.gz OZCWCVVKIRDZTE-GHMZBOCLSA-N 1 2 250.342 2.706 10 0 CFAELO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)s1 ZINC000189060750 543067065 /nfs/dbraw/zinc/06/70/65/543067065.db2.gz LPJVHSWQQSTJST-QMMMGPOBSA-N 1 2 283.784 2.935 10 0 CFAELO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)s1 ZINC000189060750 543067067 /nfs/dbraw/zinc/06/70/67/543067067.db2.gz LPJVHSWQQSTJST-QMMMGPOBSA-N 1 2 283.784 2.935 10 0 CFAELO CCn1ncnc1C[NH2+][C@@H](C)c1nc2ccccc2n1CC ZINC000193551531 543089669 /nfs/dbraw/zinc/08/96/69/543089669.db2.gz GUGUTVUBQKRACN-LBPRGKRZSA-N 1 2 298.394 2.518 10 0 CFAELO Fc1ccc(OCc2[nH]cc[nH+]2)c(Br)c1 ZINC000306675791 397642543 /nfs/dbraw/zinc/64/25/43/397642543.db2.gz UKEPYLCZNNUQNI-UHFFFAOYSA-N 1 2 271.089 2.890 10 0 CFAELO Cc1cc(Nc2cnn(Cc3ccccc3)c2)[nH+]cc1N ZINC000307020502 397643380 /nfs/dbraw/zinc/64/33/80/397643380.db2.gz SZJUJQWVNLZADA-UHFFFAOYSA-N 1 2 279.347 2.961 10 0 CFAELO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc(F)c(F)c(F)c1 ZINC000164709853 287059284 /nfs/dbraw/zinc/05/92/84/287059284.db2.gz UIQKLVKBPOQGOE-PRHODGIISA-N 1 2 296.296 2.881 10 0 CFAELO COc1cccc(Sc2cccc3[nH+]c(N)nc(N)c32)c1 ZINC000005889719 170150866 /nfs/dbraw/zinc/15/08/66/170150866.db2.gz BMRIOYXEWAKYAY-UHFFFAOYSA-N 1 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RIGLUDLUAAPLRP-WRWORJQWSA-N 1 2 284.768 2.547 10 0 CFAELO COC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000037283253 173090652 /nfs/dbraw/zinc/09/06/52/173090652.db2.gz IJLFSNZRNVCTTI-DZGCQCFKSA-N 1 2 293.407 2.804 10 0 CFAELO CC[C@@H]([NH2+]c1ccc(-n2cnnn2)c(C)c1)C(C)C ZINC000037313496 173115501 /nfs/dbraw/zinc/11/55/01/173115501.db2.gz JLHMVHRXYRQSEC-CYBMUJFWSA-N 1 2 259.357 2.817 10 0 CFAELO Nc1[nH+]c2c(cccc2F)n1Cc1ccc(F)cc1 ZINC000037421231 173198186 /nfs/dbraw/zinc/19/81/86/173198186.db2.gz DHFPKHPNNFIEDS-UHFFFAOYSA-N 1 2 259.259 2.945 10 0 CFAELO CCOC(=O)[C@@](C)(CCc1ccccc1)[NH2+]C(C)C ZINC000037446227 173213331 /nfs/dbraw/zinc/21/33/31/173213331.db2.gz AACCDTFCUICVBM-MRXNPFEDSA-N 1 2 263.381 2.939 10 0 CFAELO CCC[NH2+][C@@](C)(CCc1ccccc1)C(=O)OCC ZINC000037513589 173244844 /nfs/dbraw/zinc/24/48/44/173244844.db2.gz HSXUBJPUFQZZFA-INIZCTEOSA-N 1 2 263.381 2.941 10 0 CFAELO Cc1noc(C[NH2+][C@@H]2CCCOc3c(C)cccc32)n1 ZINC000038034004 174032474 /nfs/dbraw/zinc/03/24/74/174032474.db2.gz AQPAHBWNOKWVQN-CYBMUJFWSA-N 1 2 273.336 2.690 10 0 CFAELO CC[C@@H](C)[NH2+][C@@H](C(=O)OC)c1cc(C)c(O)c(C)c1 ZINC000038067252 174079082 /nfs/dbraw/zinc/07/90/82/174079082.db2.gz LBPUFILVATWRGE-DGCLKSJQSA-N 1 2 265.353 2.611 10 0 CFAELO Cc1csc(C[NH2+]CC(=O)Nc2ccccc2Cl)n1 ZINC000038091649 174105770 /nfs/dbraw/zinc/10/57/70/174105770.db2.gz RYZCZQHKZLSJTC-UHFFFAOYSA-N 1 2 295.795 2.833 10 0 CFAELO c1cn(-c2ccccc2NCc2cscn2)c[nH+]1 ZINC000040504198 174300447 /nfs/dbraw/zinc/30/04/47/174300447.db2.gz YVFJCFUWTQFEIB-UHFFFAOYSA-N 1 2 256.334 2.941 10 0 CFAELO Cc1cc(-n2ccnc2-c2ccc(N)cc2)nc(C)[nH+]1 ZINC000040517008 174307434 /nfs/dbraw/zinc/30/74/34/174307434.db2.gz KUHIJEMYNFDILF-UHFFFAOYSA-N 1 2 265.320 2.528 10 0 CFAELO CCN(c1cccc(C)c1)c1nc[nH+]c(N(C)C)c1N ZINC000040661732 174365821 /nfs/dbraw/zinc/36/58/21/174365821.db2.gz XXPPMCUYZFFRGY-UHFFFAOYSA-N 1 2 271.368 2.591 10 0 CFAELO CCNc1[nH+]cnc(Nc2cc(C)ccc2OC)c1N ZINC000040684155 174375040 /nfs/dbraw/zinc/37/50/40/174375040.db2.gz HQCUFCNJMRNAMY-UHFFFAOYSA-N 1 2 273.340 2.551 10 0 CFAELO CCN(c1cccc2ccccc21)c1nc[nH+]c(N)c1N ZINC000040701928 174379233 /nfs/dbraw/zinc/37/92/33/174379233.db2.gz ZZBXNHWRHLMLLS-UHFFFAOYSA-N 1 2 279.347 2.952 10 0 CFAELO CCNc1nc[nH+]c(Nc2ccc(OCC)cc2)c1N ZINC000040707389 174379512 /nfs/dbraw/zinc/37/95/12/174379512.db2.gz XZAOEGVHXVISGM-UHFFFAOYSA-N 1 2 273.340 2.633 10 0 CFAELO CCNc1[nH+]cnc(Nc2ccc(OCC)cc2)c1N ZINC000040707389 174379514 /nfs/dbraw/zinc/37/95/14/174379514.db2.gz XZAOEGVHXVISGM-UHFFFAOYSA-N 1 2 273.340 2.633 10 0 CFAELO Cc1ccc(Nc2[nH+]cnc(N3CCCC3)c2N)cc1 ZINC000040724385 174386625 /nfs/dbraw/zinc/38/66/25/174386625.db2.gz KNOOXMFQJQHEGU-UHFFFAOYSA-N 1 2 269.352 2.711 10 0 CFAELO Cc1cc(N(Cc2ccccc2N)C(C)C)nc[nH+]1 ZINC000040727586 174387854 /nfs/dbraw/zinc/38/78/54/174387854.db2.gz QGSFYOKQXUNTJS-UHFFFAOYSA-N 1 2 256.353 2.782 10 0 CFAELO COc1ccc([C@@H](C)[NH2+]Cc2coc(C)n2)cc1OC ZINC000660190127 414678620 /nfs/dbraw/zinc/67/86/20/414678620.db2.gz UAJSNFJNSZZVKP-SNVBAGLBSA-N 1 2 276.336 2.851 10 0 CFAELO Cc1ccc(C(N)=S)c(NCc2ccccc2C)[nH+]1 ZINC000043396738 175036288 /nfs/dbraw/zinc/03/62/88/175036288.db2.gz ROXPPDVNGUBPPU-UHFFFAOYSA-N 1 2 271.389 2.945 10 0 CFAELO Cc1ccccc1C(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043426509 175040483 /nfs/dbraw/zinc/04/04/83/175040483.db2.gz KDENUKUVGNIHAK-DOTOQJQBSA-N 1 2 273.376 2.821 10 0 CFAELO Cc1ccccc1C(=O)C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043426509 175040484 /nfs/dbraw/zinc/04/04/84/175040484.db2.gz KDENUKUVGNIHAK-DOTOQJQBSA-N 1 2 273.376 2.821 10 0 CFAELO c1ccc(-c2noc([C@@H]3[NH2+]CCc4ccccc43)n2)cc1 ZINC000043594438 175075200 /nfs/dbraw/zinc/07/52/00/175075200.db2.gz GDYYLDYLKHNOAL-OAHLLOKOSA-N 1 2 277.327 2.972 10 0 CFAELO CC(C)CCc1noc([C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000043594472 175075632 /nfs/dbraw/zinc/07/56/32/175075632.db2.gz ITEILXCOARZOFS-OAHLLOKOSA-N 1 2 271.364 2.893 10 0 CFAELO CCn1cc([C@@H](C)Nc2c(N(C)C)cc[nH+]c2OC)cn1 ZINC000044496334 175183235 /nfs/dbraw/zinc/18/32/35/175183235.db2.gz SQZDYEBOSKZUJJ-LLVKDONJSA-N 1 2 289.383 2.546 10 0 CFAELO CCn1cc([C@H](C)Nc2ccc[nH+]c2N(C)C)cn1 ZINC000044497206 175183729 /nfs/dbraw/zinc/18/37/29/175183729.db2.gz VMQSKWKUAXOWTJ-NSHDSACASA-N 1 2 259.357 2.537 10 0 CFAELO Nc1c(NCC[C@H]2CCCO2)ccc2[nH+]cccc12 ZINC000044510253 175187485 /nfs/dbraw/zinc/18/74/85/175187485.db2.gz LPNATZJXPZNHDA-LLVKDONJSA-N 1 2 257.337 2.798 10 0 CFAELO Cc1[nH+]c2cc(C(=O)[O-])ccc2n1C[C@@H]1CCCC[N@H+]1C ZINC000044563977 175207464 /nfs/dbraw/zinc/20/74/64/175207464.db2.gz ZRJUPCGAWNJQSS-ZDUSSCGKSA-N 1 2 287.363 2.527 10 0 CFAELO Cc1[nH+]c2cc(C(=O)[O-])ccc2n1C[C@@H]1CCCC[N@@H+]1C ZINC000044563977 175207466 /nfs/dbraw/zinc/20/74/66/175207466.db2.gz ZRJUPCGAWNJQSS-ZDUSSCGKSA-N 1 2 287.363 2.527 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H](C)c2cccs2)c1N ZINC000044590624 175212684 /nfs/dbraw/zinc/21/26/84/175212684.db2.gz RBAZBCDAZQJBQN-QMMMGPOBSA-N 1 2 279.365 2.621 10 0 CFAELO CC(C)(C)c1noc([C@@H]2[NH2+]CCc3sccc32)n1 ZINC000044592973 175214095 /nfs/dbraw/zinc/21/40/95/175214095.db2.gz QXORLUNOBDCAOW-SNVBAGLBSA-N 1 2 263.366 2.664 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H]2C[C@@H]2c2ccccc2)c1N ZINC000044660261 175226223 /nfs/dbraw/zinc/22/62/23/175226223.db2.gz BAZTVYFNTPLMEZ-OLZOCXBDSA-N 1 2 285.347 2.679 10 0 CFAELO O=c1nc(C[NH2+][C@H]2C[C@@H]2c2ccccc2)[nH]c2ccsc21 ZINC000044677093 175227416 /nfs/dbraw/zinc/22/74/16/175227416.db2.gz PQPVWDMWCLIPJM-YPMHNXCESA-N 1 2 297.383 2.630 10 0 CFAELO Cc1cc(CNc2ccc3[nH+]cccc3c2N)no1 ZINC000044690956 175233153 /nfs/dbraw/zinc/23/31/53/175233153.db2.gz PIVXURLICOEAAW-UHFFFAOYSA-N 1 2 254.293 2.726 10 0 CFAELO Cc1sc2[nH]c(=S)n(C[C@H](C)[NH+](C)C)c(=O)c2c1C ZINC000045108780 175308830 /nfs/dbraw/zinc/30/88/30/175308830.db2.gz ROZXYDFMOAZJLV-ZETCQYMHSA-N 1 2 297.449 2.688 10 0 CFAELO CCCCOCCn1c(C)c(C)c2c1nc(C)[nH+]c2N ZINC000045109070 175309403 /nfs/dbraw/zinc/30/94/03/175309403.db2.gz IEZQTOLCEBSFAB-UHFFFAOYSA-N 1 2 276.384 2.755 10 0 CFAELO Cc1nn(C)c(C)c1[C@@H](C)Nc1ccc[nH+]c1N(C)C ZINC000045170594 175320284 /nfs/dbraw/zinc/32/02/84/175320284.db2.gz IRNPWFKPZCDTIC-SNVBAGLBSA-N 1 2 273.384 2.671 10 0 CFAELO CC[NH2+][C@@](C)(CCN(CC)c1ccccc1C)C(=O)OC ZINC000045223092 175331703 /nfs/dbraw/zinc/33/17/03/175331703.db2.gz SZNJWGDFVLUFKC-KRWDZBQOSA-N 1 2 292.423 2.753 10 0 CFAELO CCC[NH2+][C@@](C)(CCN(CC)c1ccccc1)C(=O)OC ZINC000045232164 175335562 /nfs/dbraw/zinc/33/55/62/175335562.db2.gz VBUCYDKUHDXNRW-KRWDZBQOSA-N 1 2 292.423 2.834 10 0 CFAELO CC[NH2+][C@](C)(CN(CC)c1cccc(C)c1)C(=O)OCC ZINC000045273172 175343822 /nfs/dbraw/zinc/34/38/22/175343822.db2.gz ZPYASIGYEKCKCV-QGZVFWFLSA-N 1 2 292.423 2.753 10 0 CFAELO CC(=O)Nc1ccc(C)c(N[C@H](C)c2[nH+]ccn2C)c1 ZINC000070444753 175936968 /nfs/dbraw/zinc/93/69/68/175936968.db2.gz AKHVJEJRSXZCMB-LLVKDONJSA-N 1 2 272.352 2.860 10 0 CFAELO CCCc1cc(NCc2cccc(CO)c2)nc[nH+]1 ZINC000071354772 176137032 /nfs/dbraw/zinc/13/70/32/176137032.db2.gz DOFAXBPIJGJVQA-UHFFFAOYSA-N 1 2 257.337 2.534 10 0 CFAELO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)Nc1cccc2ccccc21 ZINC000077368305 177258343 /nfs/dbraw/zinc/25/83/43/177258343.db2.gz XHYYYCVYZPIPEV-ZIAGYGMSSA-N 1 2 298.386 2.888 10 0 CFAELO COC(=O)c1ccc(-c2[nH]c3cc(C)c(N)cc3[nH+]2)cc1 ZINC000078400738 177337676 /nfs/dbraw/zinc/33/76/76/177337676.db2.gz NMAYPFMAIJSBRC-UHFFFAOYSA-N 1 2 281.315 2.907 10 0 CFAELO C[C@@H]([NH2+]Cc1cnns1)c1cc(F)ccc1F ZINC000400217586 420503680 /nfs/dbraw/zinc/50/36/80/420503680.db2.gz FKJMLDPOWUTXBZ-SSDOTTSWSA-N 1 2 255.293 2.667 10 0 CFAELO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nc(C)no1 ZINC000038034545 260124272 /nfs/dbraw/zinc/12/42/72/260124272.db2.gz YSGRNVWLIOBLQZ-AWEZNQCLSA-N 1 2 273.336 2.554 10 0 CFAELO C[C@]1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCC[NH2+]1 ZINC000232399409 270261108 /nfs/dbraw/zinc/26/11/08/270261108.db2.gz NRBBTNHZCJAQLT-GFCCVEGCSA-N 1 2 289.162 2.780 10 0 CFAELO CC[C@H]([NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C)C(=O)OC ZINC000192863380 270235156 /nfs/dbraw/zinc/23/51/56/270235156.db2.gz 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CCn1cc([C@@H]2C[N@H+](Cc3cccs3)CCO2)cn1 ZINC000191697091 536092121 /nfs/dbraw/zinc/09/21/21/536092121.db2.gz KPQFBLXFMJOZIW-AWEZNQCLSA-N 1 2 277.393 2.538 10 0 CFAELO CCn1cc([C@@H]2C[N@@H+](Cc3cccs3)CCO2)cn1 ZINC000191697091 536092126 /nfs/dbraw/zinc/09/21/26/536092126.db2.gz KPQFBLXFMJOZIW-AWEZNQCLSA-N 1 2 277.393 2.538 10 0 CFAELO CC(=O)c1ccc(-n2cc[nH+]c2)cc1Br ZINC000147362322 618653737 /nfs/dbraw/zinc/65/37/37/618653737.db2.gz VWTBFMSKUAKXKR-UHFFFAOYSA-N 1 2 265.110 2.837 10 0 CFAELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H](C)CBr ZINC000248700675 619058919 /nfs/dbraw/zinc/05/89/19/619058919.db2.gz KXAFNKYGPSNXSS-NXEZZACHSA-N 1 2 294.233 2.679 10 0 CFAELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H](C)CBr ZINC000248700675 619058921 /nfs/dbraw/zinc/05/89/21/619058921.db2.gz KXAFNKYGPSNXSS-NXEZZACHSA-N 1 2 294.233 2.679 10 0 CFAELO Cc1cc(-c2nccn2CCn2cc[nH+]c2)cc(C)c1O ZINC000067723714 620218890 /nfs/dbraw/zinc/21/88/90/620218890.db2.gz LPWREXJJLXBJPC-UHFFFAOYSA-N 1 2 282.347 2.769 10 0 CFAELO 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CC(C)n1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)n1 ZINC000172016327 379471466 /nfs/dbraw/zinc/47/14/66/379471466.db2.gz LCABUKNGZLFRGR-HNNXBMFYSA-N 1 2 273.384 2.914 10 0 CFAELO c1cn2cc(C[N@@H+]3CCCC[C@H]3c3cn[nH]c3)nc2s1 ZINC000172271958 379530313 /nfs/dbraw/zinc/53/03/13/379530313.db2.gz ZCWUOADKOMFZON-ZDUSSCGKSA-N 1 2 287.392 2.846 10 0 CFAELO c1cn2cc(C[N@H+]3CCCC[C@H]3c3cn[nH]c3)nc2s1 ZINC000172271958 379530322 /nfs/dbraw/zinc/53/03/22/379530322.db2.gz ZCWUOADKOMFZON-ZDUSSCGKSA-N 1 2 287.392 2.846 10 0 CFAELO CC(C)c1nnc(C[N@@H+]2CCS[C@@H](C(C)C)C2)n1C ZINC000174329953 379865953 /nfs/dbraw/zinc/86/59/53/379865953.db2.gz IZQCKGHTIJJNSY-GFCCVEGCSA-N 1 2 282.457 2.512 10 0 CFAELO CC(C)c1nnc(C[N@H+]2CCS[C@@H](C(C)C)C2)n1C ZINC000174329953 379865958 /nfs/dbraw/zinc/86/59/58/379865958.db2.gz IZQCKGHTIJJNSY-GFCCVEGCSA-N 1 2 282.457 2.512 10 0 CFAELO Cc1nc(C[S@](=O)Cc2[nH+]ccn2C(C)C)sc1C ZINC000176094212 380178868 /nfs/dbraw/zinc/17/88/68/380178868.db2.gz BKDQWPUSMLQANU-LJQANCHMSA-N 1 2 297.449 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251.326 2.616 10 0 CFAELO CC(C)COC(=O)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000181460054 380796708 /nfs/dbraw/zinc/79/67/08/380796708.db2.gz WBDMDNJCADQGAO-GFCCVEGCSA-N 1 2 251.326 2.616 10 0 CFAELO C[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1ccc(F)cc1F ZINC000181575361 380832895 /nfs/dbraw/zinc/83/28/95/380832895.db2.gz NIRQAGQOPYVPJT-VIFPVBQESA-N 1 2 292.333 2.822 10 0 CFAELO CCc1cc(=O)[nH]c(C[NH2+][C@H](C)c2ccc(F)c(F)c2)n1 ZINC000181627665 380845724 /nfs/dbraw/zinc/84/57/24/380845724.db2.gz SMTUHBSEQKKYIP-SECBINFHSA-N 1 2 293.317 2.874 10 0 CFAELO Cc1nc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)oc1C ZINC000181751706 380883654 /nfs/dbraw/zinc/88/36/54/380883654.db2.gz MTQJXSXTJBJXOX-NSHDSACASA-N 1 2 288.347 2.913 10 0 CFAELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCC(=O)c1ccccc1 ZINC000182394346 381081494 /nfs/dbraw/zinc/08/14/94/381081494.db2.gz DYADTUSLYDTNIC-ZDUSSCGKSA-N 1 2 291.391 2.921 10 0 CFAELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCC(=O)c1ccccc1 ZINC000182394346 381081503 /nfs/dbraw/zinc/08/15/03/381081503.db2.gz DYADTUSLYDTNIC-ZDUSSCGKSA-N 1 2 291.391 2.921 10 0 CFAELO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1nc(Cl)ccc1Cl ZINC000295817841 381094632 /nfs/dbraw/zinc/09/46/32/381094632.db2.gz BTQJVKOMPANBNW-GZMMTYOYSA-N 1 2 275.179 2.734 10 0 CFAELO C[C@H]1[C@H](O)CCC[N@H+]1Cc1nc(Cl)ccc1Cl ZINC000295817841 381094640 /nfs/dbraw/zinc/09/46/40/381094640.db2.gz BTQJVKOMPANBNW-GZMMTYOYSA-N 1 2 275.179 2.734 10 0 CFAELO Cc1cc([C@H](C)[NH2+]Cc2nnnn2C(C)C)c(C)s1 ZINC000182978374 381193552 /nfs/dbraw/zinc/19/35/52/381193552.db2.gz MSNSSUPFIZRBNH-JTQLQIEISA-N 1 2 279.413 2.783 10 0 CFAELO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1nnnn1C(C)C ZINC000185804786 381739598 /nfs/dbraw/zinc/73/95/98/381739598.db2.gz JPXJBKXDUVADND-OAHLLOKOSA-N 1 2 285.395 2.591 10 0 CFAELO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1nnnn1C(C)C ZINC000185804786 381739601 /nfs/dbraw/zinc/73/96/01/381739601.db2.gz JPXJBKXDUVADND-OAHLLOKOSA-N 1 2 285.395 2.591 10 0 CFAELO CCc1nnc(C[N@@H+]2CCc3c(C)cc(C)cc3C2)n1C ZINC000186723392 381993579 /nfs/dbraw/zinc/99/35/79/381993579.db2.gz JTMWSRGLMLFSLZ-UHFFFAOYSA-N 1 2 284.407 2.553 10 0 CFAELO CCc1nnc(C[N@H+]2CCc3c(C)cc(C)cc3C2)n1C ZINC000186723392 381993585 /nfs/dbraw/zinc/99/35/85/381993585.db2.gz JTMWSRGLMLFSLZ-UHFFFAOYSA-N 1 2 284.407 2.553 10 0 CFAELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000187116763 382103561 /nfs/dbraw/zinc/10/35/61/382103561.db2.gz CQXYUCHXZQBCFJ-RYUDHWBXSA-N 1 2 271.401 2.606 10 0 CFAELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000187116763 382103566 /nfs/dbraw/zinc/10/35/66/382103566.db2.gz CQXYUCHXZQBCFJ-RYUDHWBXSA-N 1 2 271.401 2.606 10 0 CFAELO Cc1cc(NCC(=O)NCc2ccccc2)nc(C(C)C)[nH+]1 ZINC000301092917 382079885 /nfs/dbraw/zinc/07/98/85/382079885.db2.gz PSNMFXHEYSBQNT-UHFFFAOYSA-N 1 2 298.390 2.637 10 0 CFAELO Cc1cc(N[C@H](CCCO)c2ccccc2)nc[nH+]1 ZINC000301379810 382163322 /nfs/dbraw/zinc/16/33/22/382163322.db2.gz XYJLJAHXHQPSFL-CQSZACIVSA-N 1 2 257.337 2.711 10 0 CFAELO C[C@@H]1CCCN(c2cc(N(C)CCC3CC3)[nH+]cn2)C1 ZINC000301773558 382191031 /nfs/dbraw/zinc/19/10/31/382191031.db2.gz KHGXENGDIIZTJU-CYBMUJFWSA-N 1 2 274.412 2.949 10 0 CFAELO C[C@@H]1CCCN(c2cc(N(C)CCC3CC3)nc[nH+]2)C1 ZINC000301773558 382191038 /nfs/dbraw/zinc/19/10/38/382191038.db2.gz KHGXENGDIIZTJU-CYBMUJFWSA-N 1 2 274.412 2.949 10 0 CFAELO Cc1nccnc1[C@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000187714145 382254803 /nfs/dbraw/zinc/25/48/03/382254803.db2.gz LCSOHIWPNCUNIC-GOEBONIOSA-N 1 2 284.407 2.739 10 0 CFAELO CCCCCNc1nc(NC)c(Br)c[nH+]1 ZINC000302491361 382258449 /nfs/dbraw/zinc/25/84/49/382258449.db2.gz ZDHSAJBQSIQBKQ-UHFFFAOYSA-N 1 2 273.178 2.883 10 0 CFAELO CO[C@@H]1CC[C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000302751906 382310502 /nfs/dbraw/zinc/31/05/02/382310502.db2.gz HHHNSPYWWRZXPJ-WDEREUQCSA-N 1 2 289.383 2.561 10 0 CFAELO Nc1cccc(-c2[nH+]ccn2Cc2ccccn2)c1 ZINC000037556960 184540158 /nfs/dbraw/zinc/54/01/58/184540158.db2.gz ONMBWZMKRXZVHS-UHFFFAOYSA-N 1 2 250.305 2.576 10 0 CFAELO CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(N)[nH+]c2)C1 ZINC000390815783 382618975 /nfs/dbraw/zinc/61/89/75/382618975.db2.gz KEHJXVYDHIQEDW-GFCCVEGCSA-N 1 2 277.368 2.609 10 0 CFAELO Cc1c([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)cnn1C(C)C ZINC000191332686 382698630 /nfs/dbraw/zinc/69/86/30/382698630.db2.gz WNXVOSKIPRCTFR-SMDDNHRTSA-N 1 2 288.399 2.550 10 0 CFAELO CC[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)C(=O)OC ZINC000192839823 382712802 /nfs/dbraw/zinc/71/28/02/382712802.db2.gz QGFKCXQSPRFRGQ-OLZOCXBDSA-N 1 2 267.756 2.869 10 0 CFAELO COc1cccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1F ZINC000192943273 382713895 /nfs/dbraw/zinc/71/38/95/382713895.db2.gz ZTRPRDQXJWABGL-UONOGXRCSA-N 1 2 279.355 2.978 10 0 CFAELO COc1cccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1F ZINC000192943273 382713896 /nfs/dbraw/zinc/71/38/96/382713896.db2.gz ZTRPRDQXJWABGL-UONOGXRCSA-N 1 2 279.355 2.978 10 0 CFAELO [NH3+][C@@H](c1ccco1)c1ncsc1Br ZINC000575482175 382773069 /nfs/dbraw/zinc/77/30/69/382773069.db2.gz FASKNSYZTINKKD-LURJTMIESA-N 1 2 259.128 2.547 10 0 CFAELO CC(C)c1nc(N2CC[C@@]3(O)CCCC[C@H]3C2)cc[nH+]1 ZINC000246935720 383123299 /nfs/dbraw/zinc/12/32/99/383123299.db2.gz HHUGLLOTDVFBLL-BBRMVZONSA-N 1 2 275.396 2.731 10 0 CFAELO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000248889205 383304247 /nfs/dbraw/zinc/30/42/47/383304247.db2.gz RTJHPBIIQGKIQV-KBPBESRZSA-N 1 2 293.411 2.677 10 0 CFAELO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000248889205 383304249 /nfs/dbraw/zinc/30/42/49/383304249.db2.gz RTJHPBIIQGKIQV-KBPBESRZSA-N 1 2 293.411 2.677 10 0 CFAELO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1csc(-c2ccco2)n1 ZINC000639940805 385789534 /nfs/dbraw/zinc/78/95/34/385789534.db2.gz BCPKFHVGFDNWLF-ZYHUDNBSSA-N 1 2 278.377 2.748 10 0 CFAELO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1csc(-c2ccco2)n1 ZINC000639940805 385789541 /nfs/dbraw/zinc/78/95/41/385789541.db2.gz BCPKFHVGFDNWLF-ZYHUDNBSSA-N 1 2 278.377 2.748 10 0 CFAELO COc1ccc[nH+]c1N[C@H]1CCc2cc(N)ccc21 ZINC000128466759 413025372 /nfs/dbraw/zinc/02/53/72/413025372.db2.gz WZXZHTSEKDDTLF-ZDUSSCGKSA-N 1 2 255.321 2.772 10 0 CFAELO Nc1ccc(NC(=O)[C@H]2CCCO[C@@H]2c2ccccc2)c[nH+]1 ZINC000238001630 131071705 /nfs/dbraw/zinc/07/17/05/131071705.db2.gz CLPXCTISXFHGPU-GOEBONIOSA-N 1 2 297.358 2.770 10 0 CFAELO C[C@H]1CC(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C[C@H](C)C1 ZINC000184140041 393524639 /nfs/dbraw/zinc/52/46/39/393524639.db2.gz JPHTUKRGBWJEMV-IIAWOOMASA-N 1 2 289.423 2.946 10 0 CFAELO C[C@@H]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000187672443 393555646 /nfs/dbraw/zinc/55/56/46/393555646.db2.gz QIMXNWUZTPLLAV-RBSFLKMASA-N 1 2 275.396 2.700 10 0 CFAELO CCn1cc[nH+]c1C[S@](=O)Cc1cccc(C)c1 ZINC000083033445 393740962 /nfs/dbraw/zinc/74/09/62/393740962.db2.gz YPASBBFGCHUUHT-SFHVURJKSA-N 1 2 262.378 2.660 10 0 CFAELO Cc1csc([C@@H]2C[N@H+](Cc3ccco3)CCO2)n1 ZINC000092790194 393791229 /nfs/dbraw/zinc/79/12/29/393791229.db2.gz KQPFRSKMMFCDPP-LBPRGKRZSA-N 1 2 264.350 2.618 10 0 CFAELO Cc1csc([C@@H]2C[N@@H+](Cc3ccco3)CCO2)n1 ZINC000092790194 393791233 /nfs/dbraw/zinc/79/12/33/393791233.db2.gz KQPFRSKMMFCDPP-LBPRGKRZSA-N 1 2 264.350 2.618 10 0 CFAELO CO[C@@H](C)c1nc(C[N@@H+]2CCS[C@@H](C)C2)cs1 ZINC000245465579 393807790 /nfs/dbraw/zinc/80/77/90/393807790.db2.gz ISVZKOWQICZUNK-UWVGGRQHSA-N 1 2 272.439 2.788 10 0 CFAELO CO[C@@H](C)c1nc(C[N@H+]2CCS[C@@H](C)C2)cs1 ZINC000245465579 393807791 /nfs/dbraw/zinc/80/77/91/393807791.db2.gz ISVZKOWQICZUNK-UWVGGRQHSA-N 1 2 272.439 2.788 10 0 CFAELO COC(=O)c1sccc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245872667 393832685 /nfs/dbraw/zinc/83/26/85/393832685.db2.gz POMRUENNOUCFEC-CHWSQXEVSA-N 1 2 295.404 2.678 10 0 CFAELO COC(=O)c1sccc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245872667 393832689 /nfs/dbraw/zinc/83/26/89/393832689.db2.gz POMRUENNOUCFEC-CHWSQXEVSA-N 1 2 295.404 2.678 10 0 CFAELO CCc1nc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cs1 ZINC000152195933 394272927 /nfs/dbraw/zinc/27/29/27/394272927.db2.gz NLIWOURFCXYEAC-CQSZACIVSA-N 1 2 289.404 2.754 10 0 CFAELO CCc1nc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cs1 ZINC000152195933 394272929 /nfs/dbraw/zinc/27/29/29/394272929.db2.gz NLIWOURFCXYEAC-CQSZACIVSA-N 1 2 289.404 2.754 10 0 CFAELO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)COCc1ccccc1 ZINC000180654550 543015059 /nfs/dbraw/zinc/01/50/59/543015059.db2.gz KRICXBZDICQQTD-OLZOCXBDSA-N 1 2 273.380 2.974 10 0 CFAELO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C3CCC3)n2C)o1 ZINC000182603404 543030735 /nfs/dbraw/zinc/03/07/35/543030735.db2.gz OIONPMWDERNBNQ-NSHDSACASA-N 1 2 274.368 2.835 10 0 CFAELO Cc1cc2ccccc2[nH+]c1N1C[C@@H](C)C[C@H](O)C1 ZINC000401882785 413171086 /nfs/dbraw/zinc/17/10/86/413171086.db2.gz DBOBHKJJBLHMTD-FZMZJTMJSA-N 1 2 256.349 2.750 10 0 CFAELO CC(C)c1nc(N2CCC(c3cc[nH]n3)CC2)cc[nH+]1 ZINC000110414536 397598957 /nfs/dbraw/zinc/59/89/57/397598957.db2.gz CYHAMRGGGQFNLR-UHFFFAOYSA-N 1 2 271.368 2.707 10 0 CFAELO Cc1nc(N2C[C@H]3CCC[C@H]32)c(Br)c(C)[nH+]1 ZINC000663640859 413294665 /nfs/dbraw/zinc/29/46/65/413294665.db2.gz KZZRTNDOBPMWJH-NXEZZACHSA-N 1 2 282.185 2.845 10 0 CFAELO Cc1nnc([C@H](C)Nc2ccc3ccccc3[nH+]2)s1 ZINC000353294580 163339018 /nfs/dbraw/zinc/33/90/18/163339018.db2.gz SIVHDPWIQBIROO-VIFPVBQESA-N 1 2 270.361 2.990 10 0 CFAELO Cc1ccn2cc(CCNC(=O)c3cccc(C)c3)[nH+]c2c1 ZINC000002960944 169846108 /nfs/dbraw/zinc/84/61/08/169846108.db2.gz OHMDPKIQNPQXFW-UHFFFAOYSA-N 1 2 293.370 2.924 10 0 CFAELO COc1ccc(-n2c[nH+]c3cc(N)ccc32)cc1OC ZINC000005330255 170086295 /nfs/dbraw/zinc/08/62/95/170086295.db2.gz HRWAZOSZQGKFRW-UHFFFAOYSA-N 1 2 269.304 2.625 10 0 CFAELO Nc1nc(N)c2c(cccc2Sc2ccccc2)[nH+]1 ZINC000005974663 170164893 /nfs/dbraw/zinc/16/48/93/170164893.db2.gz BUFDQCGCADQQQY-UHFFFAOYSA-N 1 2 268.345 2.945 10 0 in-vivo CFAELO Nc1cc(Br)ccc1NCCCn1cc[nH+]c1 ZINC000020506321 171228755 /nfs/dbraw/zinc/22/87/55/171228755.db2.gz WXUHNSNTOWUFJN-UHFFFAOYSA-N 1 2 295.184 2.730 10 0 CFAELO Nc1ccc(Nc2ccc3c(c2)OCCCO3)c[nH+]1 ZINC000020585009 171258703 /nfs/dbraw/zinc/25/87/03/171258703.db2.gz LIORNMZMMWOOPL-UHFFFAOYSA-N 1 2 257.293 2.569 10 0 CFAELO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1N)n1cc[nH+]c1 ZINC000022220371 171377740 /nfs/dbraw/zinc/37/77/40/171377740.db2.gz LDTQZTCJZCUATO-QMMMGPOBSA-N 1 2 298.268 2.684 10 0 CFAELO C[C@@H](Nc1ccc([NH+](C)C)cc1)C(=O)N1CCCCCC1 ZINC000035164448 172026662 /nfs/dbraw/zinc/02/66/62/172026662.db2.gz FSKJPCRMNMESRD-CQSZACIVSA-N 1 2 289.423 2.956 10 0 CFAELO COC(=O)[C@@H]([NH2+][C@@H](c1ccc(OC)cc1)C1CC1)C(C)C ZINC000035224703 172069565 /nfs/dbraw/zinc/06/95/65/172069565.db2.gz BVYIQSRDIRBXOK-JKSUJKDBSA-N 1 2 291.391 2.934 10 0 CFAELO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cccs2)c(N)c1 ZINC000035716557 172369791 /nfs/dbraw/zinc/36/97/91/172369791.db2.gz DWZVUNPPMWDYPK-UHFFFAOYSA-N 1 2 289.404 2.709 10 0 CFAELO Cc1ccc(NC(=O)C[N@H+](C)Cc2cccs2)c(N)c1 ZINC000035716557 172369794 /nfs/dbraw/zinc/36/97/94/172369794.db2.gz DWZVUNPPMWDYPK-UHFFFAOYSA-N 1 2 289.404 2.709 10 0 CFAELO CC1CCC([NH2+]Cc2nc(=O)c3sccc3[nH]2)CC1 ZINC000036922905 172805793 /nfs/dbraw/zinc/80/57/93/172805793.db2.gz PNALLRAYFDQXSU-UHFFFAOYSA-N 1 2 277.393 2.653 10 0 CFAELO COC(=O)[C@@H]([NH2+]Cc1cc(C)c(C)cc1C)C(C)C ZINC000037257113 173067811 /nfs/dbraw/zinc/06/78/11/173067811.db2.gz ZXZBNCXCBAVYPY-HNNXBMFYSA-N 1 2 263.381 2.899 10 0 CFAELO C[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccccc21)c1ccco1 ZINC000037260238 173070227 /nfs/dbraw/zinc/07/02/27/173070227.db2.gz FLMVVVZGLZKXLV-AAEUAGOBSA-N 1 2 291.372 2.849 10 0 CFAELO COc1nc2sccn2c1C[NH2+][C@H](C)c1ccco1 ZINC000037260288 173070994 /nfs/dbraw/zinc/07/09/94/173070994.db2.gz HWLGKCJDMTWIPN-SECBINFHSA-N 1 2 277.349 2.848 10 0 CFAELO CCC[N@H+](CC(=O)c1cc(F)ccc1O)C1CC1 ZINC000037335327 173136909 /nfs/dbraw/zinc/13/69/09/173136909.db2.gz LAWGUHFJQXNUPS-UHFFFAOYSA-N 1 2 251.301 2.588 10 0 CFAELO CCC[N@@H+](CC(=O)c1cc(F)ccc1O)C1CC1 ZINC000037335327 173136911 /nfs/dbraw/zinc/13/69/11/173136911.db2.gz LAWGUHFJQXNUPS-UHFFFAOYSA-N 1 2 251.301 2.588 10 0 CFAELO CC[NH2+][C@@](C)(C(=O)OC)c1ccc(C(C)(C)C)cc1 ZINC000037446670 173213818 /nfs/dbraw/zinc/21/38/18/173213818.db2.gz SOGHBBVNTBOOCI-MRXNPFEDSA-N 1 2 263.381 2.982 10 0 CFAELO CC[NH2+][C@@](C)(C(=O)OC)c1cccc2ccccc21 ZINC000037446794 173214423 /nfs/dbraw/zinc/21/44/23/173214423.db2.gz DJVPVSYTNAKHFI-MRXNPFEDSA-N 1 2 257.333 2.838 10 0 CFAELO CCC[NH2+][C@](CC)(C(=O)OCC)c1ccc(F)cc1 ZINC000037513471 173244789 /nfs/dbraw/zinc/24/47/89/173244789.db2.gz WETIDUOKZVTQBF-HNNXBMFYSA-N 1 2 267.344 2.994 10 0 CFAELO COC(=O)[C@H]([NH3+])c1cccc(Oc2ccccc2)c1 ZINC000037514762 173246180 /nfs/dbraw/zinc/24/61/80/173246180.db2.gz ONRFFDPXBBQZDX-CQSZACIVSA-N 1 2 257.289 2.652 10 0 CFAELO Cc1noc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)n1 ZINC000038034044 174032390 /nfs/dbraw/zinc/03/23/90/174032390.db2.gz PGJYYGYAGNFRAW-UHFFFAOYSA-N 1 2 272.135 2.975 10 0 CFAELO COc1ccc(C(=O)Cc2[nH]cc[nH+]2)cc1Br ZINC000038073995 174083729 /nfs/dbraw/zinc/08/37/29/174083729.db2.gz QWBWXWGFYHCMSS-UHFFFAOYSA-N 1 2 295.136 2.606 10 0 CFAELO CO[C@@H]1C[NH2+][C@H](c2nc(C)c(-c3ccc(C)cc3)[nH]2)C1 ZINC000040637663 174361749 /nfs/dbraw/zinc/36/17/49/174361749.db2.gz HBBWMWVSSVVQLU-KBPBESRZSA-N 1 2 271.364 2.743 10 0 CFAELO CC(C)(C)Nc1[nH+]cnc(-n2cnc3ccccc32)c1N ZINC000040680769 174375241 /nfs/dbraw/zinc/37/52/41/174375241.db2.gz UGARPPAEPWCKJC-UHFFFAOYSA-N 1 2 282.351 2.608 10 0 CFAELO CCNc1nc[nH+]c(Nc2ccc(C)c(C)c2)c1N ZINC000040702682 174378832 /nfs/dbraw/zinc/37/88/32/174378832.db2.gz UFZYVQOXWTZZRP-UHFFFAOYSA-N 1 2 257.341 2.851 10 0 CFAELO CCNc1[nH+]cnc(Nc2ccc(C)c(C)c2)c1N ZINC000040702682 174378833 /nfs/dbraw/zinc/37/88/33/174378833.db2.gz UFZYVQOXWTZZRP-UHFFFAOYSA-N 1 2 257.341 2.851 10 0 CFAELO Cc1c(Cl)cccc1Nc1[nH+]cnc(N(C)C)c1N ZINC000040701495 174378875 /nfs/dbraw/zinc/37/88/75/174378875.db2.gz SSEOHPFPQHYSQG-UHFFFAOYSA-N 1 2 277.759 2.830 10 0 CFAELO Cc1c(Cl)cccc1Nc1nc[nH+]c(N(C)C)c1N ZINC000040701495 174378876 /nfs/dbraw/zinc/37/88/76/174378876.db2.gz SSEOHPFPQHYSQG-UHFFFAOYSA-N 1 2 277.759 2.830 10 0 CFAELO CNc1nc[nH+]c(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040707118 174379541 /nfs/dbraw/zinc/37/95/41/174379541.db2.gz PLQKXAQQPFMFKG-UHFFFAOYSA-N 1 2 283.257 2.863 10 0 CFAELO CNc1[nH+]cnc(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040707118 174379542 /nfs/dbraw/zinc/37/95/42/174379542.db2.gz PLQKXAQQPFMFKG-UHFFFAOYSA-N 1 2 283.257 2.863 10 0 CFAELO CCNc1nc[nH+]c(Nc2cccc(C)c2C)c1N ZINC000040707292 174379771 /nfs/dbraw/zinc/37/97/71/174379771.db2.gz AFQMESKRQHKYAI-UHFFFAOYSA-N 1 2 257.341 2.851 10 0 CFAELO CCNc1[nH+]cnc(Nc2cccc(C)c2C)c1N ZINC000040707292 174379772 /nfs/dbraw/zinc/37/97/72/174379772.db2.gz AFQMESKRQHKYAI-UHFFFAOYSA-N 1 2 257.341 2.851 10 0 CFAELO CCN(CC)c1[nH+]cnc(NCc2ccccc2)c1N ZINC000040709210 174380558 /nfs/dbraw/zinc/38/05/58/174380558.db2.gz DALRSGIEZYYWBQ-UHFFFAOYSA-N 1 2 271.368 2.517 10 0 CFAELO CN(C)c1nc[nH+]c(Nc2ccc(Cl)cc2)c1N ZINC000040723508 174385925 /nfs/dbraw/zinc/38/59/25/174385925.db2.gz DYHJGVUKCALPNH-UHFFFAOYSA-N 1 2 263.732 2.522 10 0 CFAELO CN(C)c1[nH+]cnc(Nc2ccc(Cl)cc2)c1N ZINC000040723508 174385926 /nfs/dbraw/zinc/38/59/26/174385926.db2.gz DYHJGVUKCALPNH-UHFFFAOYSA-N 1 2 263.732 2.522 10 0 CFAELO CN(C)c1nc[nH+]c(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040723614 174385928 /nfs/dbraw/zinc/38/59/28/174385928.db2.gz ASZFEDGPSMYFBF-UHFFFAOYSA-N 1 2 297.284 2.887 10 0 CFAELO CN(C)c1[nH+]cnc(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040723614 174385929 /nfs/dbraw/zinc/38/59/29/174385929.db2.gz ASZFEDGPSMYFBF-UHFFFAOYSA-N 1 2 297.284 2.887 10 0 CFAELO Nc1c(N2CCCCCC2)nc[nH+]c1N1CCCCCC1 ZINC000040725358 174386939 /nfs/dbraw/zinc/38/69/39/174386939.db2.gz ZKAXTNNLVZJDTO-UHFFFAOYSA-N 1 2 289.427 2.820 10 0 CFAELO CCC[N@@H+](c1ccc(N)cc1C(=O)OC)C(C)C ZINC000041082982 174475292 /nfs/dbraw/zinc/47/52/92/174475292.db2.gz GPYIFBCPZFULAX-UHFFFAOYSA-N 1 2 250.342 2.680 10 0 CFAELO CCC[N@H+](c1ccc(N)cc1C(=O)OC)C(C)C ZINC000041082982 174475294 /nfs/dbraw/zinc/47/52/94/174475294.db2.gz GPYIFBCPZFULAX-UHFFFAOYSA-N 1 2 250.342 2.680 10 0 CFAELO Cc1ccc(C(N)=S)c(N[C@H](C)c2ccco2)[nH+]1 ZINC000043396672 175036257 /nfs/dbraw/zinc/03/62/57/175036257.db2.gz PCNZFOKIHUDRGM-SECBINFHSA-N 1 2 261.350 2.790 10 0 CFAELO CCN(CC(C)C)c1[nH+]c(C)ccc1C(N)=S ZINC000043396621 175036349 /nfs/dbraw/zinc/03/63/49/175036349.db2.gz ARMABOINVCJMCS-UHFFFAOYSA-N 1 2 251.399 2.507 10 0 CFAELO Cc1ccc(C(N)=S)c(N(Cc2ccco2)C2CC2)[nH+]1 ZINC000043398476 175036829 /nfs/dbraw/zinc/03/68/29/175036829.db2.gz PDYVUPJHECLXMU-UHFFFAOYSA-N 1 2 287.388 2.786 10 0 CFAELO Nc1ccc(Cl)c(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000043423606 175039641 /nfs/dbraw/zinc/03/96/41/175039641.db2.gz BBXBVKJQTZIQOY-UONOGXRCSA-N 1 2 266.772 2.676 10 0 CFAELO Nc1ccc(Cl)c(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000043423606 175039643 /nfs/dbraw/zinc/03/96/43/175039643.db2.gz BBXBVKJQTZIQOY-UONOGXRCSA-N 1 2 266.772 2.676 10 0 CFAELO Cc1ccccc1C(=O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043426508 175041030 /nfs/dbraw/zinc/04/10/30/175041030.db2.gz KDENUKUVGNIHAK-RDJZCZTQSA-N 1 2 273.376 2.821 10 0 CFAELO Cc1ccccc1C(=O)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043426508 175041031 /nfs/dbraw/zinc/04/10/31/175041031.db2.gz KDENUKUVGNIHAK-RDJZCZTQSA-N 1 2 273.376 2.821 10 0 CFAELO COC(=O)[C@H](CC(C)C)Nc1ccc2[nH+]cccc2c1N ZINC000043430689 175043240 /nfs/dbraw/zinc/04/32/40/175043240.db2.gz MXUFELHBORLXLK-AWEZNQCLSA-N 1 2 287.363 2.817 10 0 CFAELO CCOCCC[NH2+]c1ccc(N)cc1Br ZINC000043596642 175076437 /nfs/dbraw/zinc/07/64/37/175076437.db2.gz SRIHUPJNOFDMSD-UHFFFAOYSA-N 1 2 273.174 2.870 10 0 CFAELO CCN[C@@H](C[NH+]1CCCCC1)c1ccccc1OC ZINC000043814197 175111730 /nfs/dbraw/zinc/11/17/30/175111730.db2.gz RRVYLIQSXWFXCK-HNNXBMFYSA-N 1 2 262.397 2.832 10 0 CFAELO CC[C@@H]1CCCC[C@H]1[NH2+]c1ccc(N)c(C(N)=O)c1 ZINC000044386355 175170057 /nfs/dbraw/zinc/17/00/57/175170057.db2.gz FFHRYCNCJGIVJO-QMTHXVAHSA-N 1 2 261.369 2.748 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n(Cc2ccccc2Cl)c1N ZINC000044590124 175212036 /nfs/dbraw/zinc/21/20/36/175212036.db2.gz QPJXUHHCHLIPFY-UHFFFAOYSA-N 1 2 293.754 2.652 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H]2CCCC[C@@H]2C)c1N ZINC000044589735 175212223 /nfs/dbraw/zinc/21/22/23/175212223.db2.gz WQPFEJVMEDWYSA-GXSJLCMTSA-N 1 2 265.357 2.702 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n(CCC2CCCC2)c1N ZINC000044590870 175212463 /nfs/dbraw/zinc/21/24/63/175212463.db2.gz PGDBTWFGJTXUJA-UHFFFAOYSA-N 1 2 265.357 2.531 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H](C)c2cccc(F)c2)c1N ZINC000044591220 175212700 /nfs/dbraw/zinc/21/27/00/175212700.db2.gz UGQCBEBIFNJBGR-SECBINFHSA-N 1 2 291.326 2.699 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H]2C[C@H]2c2ccccc2)c1N ZINC000044660263 175226077 /nfs/dbraw/zinc/22/60/77/175226077.db2.gz BAZTVYFNTPLMEZ-QWHCGFSZSA-N 1 2 285.347 2.679 10 0 CFAELO NC(=S)c1ccc[nH+]c1N[C@@H]1C[C@H]1c1ccccc1 ZINC000044660416 175226199 /nfs/dbraw/zinc/22/61/99/175226199.db2.gz GENWOJSMKDABGO-QWHCGFSZSA-N 1 2 269.373 2.684 10 0 CFAELO Cc1cc(C[NH2+]Cc2c(C)nc3scc(C)n23)no1 ZINC000044692843 175233876 /nfs/dbraw/zinc/23/38/76/175233876.db2.gz KCAHICHJDDENEP-UHFFFAOYSA-N 1 2 276.365 2.599 10 0 CFAELO Nc1ccc2[nH+]c(NC[C@H]3CCCOC3)ccc2c1 ZINC000044981885 175283433 /nfs/dbraw/zinc/28/34/33/175283433.db2.gz CVSDQJPZWAWHHD-LLVKDONJSA-N 1 2 257.337 2.656 10 0 CFAELO Nc1c(NC[C@@H]2CCCOC2)ccc2[nH+]cccc12 ZINC000044981934 175283447 /nfs/dbraw/zinc/28/34/47/175283447.db2.gz APIIRWIQMHKAGQ-NSHDSACASA-N 1 2 257.337 2.656 10 0 CFAELO CCN(C[C@@](C)([NH2+]C(C)C)C(=O)OC)c1cccc(F)c1 ZINC000045275419 175345981 /nfs/dbraw/zinc/34/59/81/175345981.db2.gz AKCAKQIKQBUKNZ-MRXNPFEDSA-N 1 2 296.386 2.582 10 0 CFAELO CCCC[N@H+](C[C@](C)([NH2+]CCC)C(=O)[O-])[C@@H](C)CC ZINC000045282500 175352736 /nfs/dbraw/zinc/35/27/36/175352736.db2.gz CSNJRQSOWLAULV-ZFWWWQNUSA-N 1 2 272.433 2.730 10 0 CFAELO CCCC[N@@H+](C[C@](C)([NH2+]CCC)C(=O)[O-])[C@@H](C)CC ZINC000045282500 175352737 /nfs/dbraw/zinc/35/27/37/175352737.db2.gz CSNJRQSOWLAULV-ZFWWWQNUSA-N 1 2 272.433 2.730 10 0 CFAELO CCOC(=O)[C@H](CN(CC)c1ccccc1C)[NH2+]C(C)C ZINC000045369808 175363879 /nfs/dbraw/zinc/36/38/79/175363879.db2.gz OQYOPBYJTBXBAQ-HNNXBMFYSA-N 1 2 292.423 2.751 10 0 CFAELO CCOC(=O)[C@@H](CN(CC)c1cccc(C)c1)[NH2+]C(C)C ZINC000045420026 175378633 /nfs/dbraw/zinc/37/86/33/175378633.db2.gz BVFMWWBRAPNZJQ-MRXNPFEDSA-N 1 2 292.423 2.751 10 0 CFAELO Cn1cc([C@@H](c2c[nH]c3ccc(F)cc32)n2cc[nH+]c2)cn1 ZINC000071708956 176248580 /nfs/dbraw/zinc/24/85/80/176248580.db2.gz KTDOJTMWXLRLHT-INIZCTEOSA-N 1 2 295.321 2.875 10 0 CFAELO CCOC(=O)c1ccc(-c2[nH]c3ccc(N)cc3[nH+]2)cc1 ZINC000078400747 177337534 /nfs/dbraw/zinc/33/75/34/177337534.db2.gz VXPAGDOZOVEPEC-UHFFFAOYSA-N 1 2 281.315 2.989 10 0 CFAELO CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000096593382 265376311 /nfs/dbraw/zinc/37/63/11/265376311.db2.gz LDTSBFQYCLSPNV-QWRGUYRKSA-N 1 2 281.318 2.993 10 0 CFAELO CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000096593382 265376315 /nfs/dbraw/zinc/37/63/15/265376315.db2.gz LDTSBFQYCLSPNV-QWRGUYRKSA-N 1 2 281.318 2.993 10 0 CFAELO CCn1cnnc1C[NH2+]Cc1cc(Cl)sc1Cl ZINC000312579029 270289398 /nfs/dbraw/zinc/28/93/98/270289398.db2.gz IQNRLADEWMFNFJ-UHFFFAOYSA-N 1 2 291.207 2.956 10 0 CFAELO COc1ccsc1[C@@H](C)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000186219949 277476340 /nfs/dbraw/zinc/47/63/40/277476340.db2.gz ZGMDVLIXLIDPBB-KOLCDFICSA-N 1 2 292.408 2.842 10 0 CFAELO Cc1cc2ccccc2[nH+]c1N1CC[C@@H](C)[C@@H](O)C1 ZINC000221210479 278761778 /nfs/dbraw/zinc/76/17/78/278761778.db2.gz BHKCTNNOQSTXJT-ABAIWWIYSA-N 1 2 256.349 2.750 10 0 CFAELO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000121984715 279100192 /nfs/dbraw/zinc/10/01/92/279100192.db2.gz DNDKKOKAULVQTE-JYJNAYRXSA-N 1 2 296.455 2.523 10 0 CFAELO CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000121984715 279100196 /nfs/dbraw/zinc/10/01/96/279100196.db2.gz DNDKKOKAULVQTE-JYJNAYRXSA-N 1 2 296.455 2.523 10 0 CFAELO CC(C)N(C(=O)C[N@H+]1[C@H](C)COC[C@@H]1C)c1ccccc1 ZINC000077366810 279286236 /nfs/dbraw/zinc/28/62/36/279286236.db2.gz WUUXEQQHQLKJGT-GASCZTMLSA-N 1 2 290.407 2.537 10 0 CFAELO CC(C)N(C(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C)c1ccccc1 ZINC000077366810 279286238 /nfs/dbraw/zinc/28/62/38/279286238.db2.gz WUUXEQQHQLKJGT-GASCZTMLSA-N 1 2 290.407 2.537 10 0 CFAELO Clc1c(I)ccc2[nH+]ccn21 ZINC000089202311 279290166 /nfs/dbraw/zinc/29/01/66/279290166.db2.gz LECMGIRGSWYLLC-UHFFFAOYSA-N 1 2 278.480 2.592 10 0 CFAELO CCn1cc[nH+]c1C[S@@](=O)Cc1ccc(F)c(F)c1 ZINC000083036159 280547441 /nfs/dbraw/zinc/54/74/41/280547441.db2.gz QXFOAVLRLNOQPZ-LJQANCHMSA-N 1 2 284.331 2.630 10 0 CFAELO C[C@H](NC(=O)Cc1ccoc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000127123631 280661183 /nfs/dbraw/zinc/66/11/83/280661183.db2.gz FBLZQYPPXQSAOU-ZDUSSCGKSA-N 1 2 295.342 2.885 10 0 CFAELO CCn1cc[nH+]c1Cn1cnc2cc(F)c(F)cc21 ZINC000134443500 280758354 /nfs/dbraw/zinc/75/83/54/280758354.db2.gz QBKVZKGMSUEUEP-UHFFFAOYSA-N 1 2 262.263 2.579 10 0 CFAELO C[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)O1 ZINC000151237019 280802240 /nfs/dbraw/zinc/80/22/40/280802240.db2.gz JXSSDPDHLYQIOH-GWCFXTLKSA-N 1 2 271.320 2.583 10 0 CFAELO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC000396134671 333189181 /nfs/dbraw/zinc/18/91/81/333189181.db2.gz CAQJOUSZGCPEKM-LLVKDONJSA-N 1 2 290.354 2.727 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CC(C)c1nnc(C[N@H+]2CCC[C@H]2c2cccn2C)n1C ZINC000195029537 519886508 /nfs/dbraw/zinc/88/65/08/519886508.db2.gz JZUDQUUDUQPOMT-AWEZNQCLSA-N 1 2 287.411 2.614 10 0 CFAELO CCCCCC[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172755338 520109709 /nfs/dbraw/zinc/10/97/09/520109709.db2.gz KFAXNMVLIXJFCO-HZPDHXFCSA-N 1 2 296.455 2.526 10 0 CFAELO CC[NH2+][C@@](C)(CSc1ccc(OC)cc1)C(=O)OCC ZINC000045580893 520137009 /nfs/dbraw/zinc/13/70/09/520137009.db2.gz KIJJDVIWWZZXKD-HNNXBMFYSA-N 1 2 297.420 2.719 10 0 CFAELO CCCNc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000050792415 520157112 /nfs/dbraw/zinc/15/71/12/520157112.db2.gz ARHWFCAQYYAUMP-CHWSQXEVSA-N 1 2 263.385 2.513 10 0 CFAELO CCCNc1ccc(COc2ccc(C(N)=O)cc2)c[nH+]1 ZINC000050832695 520158971 /nfs/dbraw/zinc/15/89/71/520158971.db2.gz WOXPDZBLWOMVFP-UHFFFAOYSA-N 1 2 285.347 2.581 10 0 CFAELO CCCNc1nc(CCOC)[nH+]c(C)c1C(C)C ZINC000061687477 520187371 /nfs/dbraw/zinc/18/73/71/520187371.db2.gz ILJCJWZYFWVBIJ-UHFFFAOYSA-N 1 2 251.374 2.919 10 0 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/nfs/dbraw/zinc/44/86/34/523448634.db2.gz VJFIPEPGJNPRJB-UHFFFAOYSA-N 1 2 290.417 2.967 10 0 CFAELO C[N@@H+](Cc1cccs1)Cc1nc2sccc2c(N)n1 ZINC000050813482 523448646 /nfs/dbraw/zinc/44/86/46/523448646.db2.gz VJFIPEPGJNPRJB-UHFFFAOYSA-N 1 2 290.417 2.967 10 0 CFAELO CO[C@@H](C)c1noc(C[NH2+][C@H](C)c2cccs2)n1 ZINC000182546721 523487132 /nfs/dbraw/zinc/48/71/32/523487132.db2.gz FWZRCXLWPHBHPQ-BDAKNGLRSA-N 1 2 267.354 2.689 10 0 CFAELO COC(=O)[C@@H](CSc1cc(F)ccc1F)[NH2+]C(C)C ZINC000045591313 523591368 /nfs/dbraw/zinc/59/13/68/523591368.db2.gz YFILCTMXZDUGGW-LLVKDONJSA-N 1 2 289.347 2.597 10 0 CFAELO COC(=O)[C@H](CCO[C@H]1CCCC[C@@H]1C)[NH2+]C(C)C ZINC000062543893 523899310 /nfs/dbraw/zinc/89/93/10/523899310.db2.gz CMDYWCFJWYPYMM-IHRRRGAJSA-N 1 2 271.401 2.511 10 0 CFAELO COc1ccc(C[NH2+][C@H](C)c2ncc(C)o2)c(OC)c1 ZINC000220913656 524090403 /nfs/dbraw/zinc/09/04/03/524090403.db2.gz LYJHFGKHRJXJGQ-LLVKDONJSA-N 1 2 276.336 2.851 10 0 CFAELO Cc1cccc(N)c1NC(=O)C[NH+]1Cc2ccccc2C1 ZINC000050909976 524527409 /nfs/dbraw/zinc/52/74/09/524527409.db2.gz DELRFTHIWCDLIP-UHFFFAOYSA-N 1 2 281.359 2.532 10 0 CFAELO Cc1ccc([N@H+](CCCn2cc[nH+]c2)CCC(=O)[O-])cc1 ZINC000049328796 524899379 /nfs/dbraw/zinc/89/93/79/524899379.db2.gz CHLSKTIFXZDGHD-UHFFFAOYSA-N 1 2 287.363 2.563 10 0 CFAELO Cc1ccc([N@@H+](CCCn2cc[nH+]c2)CCC(=O)[O-])cc1 ZINC000049328796 524899389 /nfs/dbraw/zinc/89/93/89/524899389.db2.gz CHLSKTIFXZDGHD-UHFFFAOYSA-N 1 2 287.363 2.563 10 0 CFAELO C[C@@H](NC(=O)c1cscn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173952936 525380651 /nfs/dbraw/zinc/38/06/51/525380651.db2.gz PCSNHNHCKYVZHX-LLVKDONJSA-N 1 2 298.371 2.820 10 0 CFAELO CSC[C@@H](C)CNc1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000069444348 525625446 /nfs/dbraw/zinc/62/54/46/525625446.db2.gz LAWPXQPSRJRRFM-VIFPVBQESA-N 1 2 295.477 2.616 10 0 CFAELO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1csc(C(C)(C)C)n1 ZINC000336236542 525671079 /nfs/dbraw/zinc/67/10/79/525671079.db2.gz XYEYTFKHBYFNRM-PWSUYJOCSA-N 1 2 268.426 2.786 10 0 CFAELO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1csc(C(C)(C)C)n1 ZINC000336236542 525671088 /nfs/dbraw/zinc/67/10/88/525671088.db2.gz XYEYTFKHBYFNRM-PWSUYJOCSA-N 1 2 268.426 2.786 10 0 CFAELO C[C@@H](Nc1cc[nH+]c(C(N)=S)c1)c1ccsc1 ZINC000061813355 525721471 /nfs/dbraw/zinc/72/14/71/525721471.db2.gz SHPKXUTVTVGYMR-MRVPVSSYSA-N 1 2 263.391 2.950 10 0 CFAELO Cc1cnc(NC(=O)c2cc3ccccc3c(NN)[nH+]2)s1 ZINC000051096348 526087990 /nfs/dbraw/zinc/08/79/90/526087990.db2.gz QPJIWXLVOBOJFR-UHFFFAOYSA-N 1 2 299.359 2.538 10 0 CFAELO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2)o1 ZINC000230646327 526155782 /nfs/dbraw/zinc/15/57/82/526155782.db2.gz MQHPWFNJPRUNFB-LBPRGKRZSA-N 1 2 273.336 2.581 10 0 CFAELO Cc1cnc([C@H](C)[NH2+]Cc2cccc3c2OCO3)o1 ZINC000220916839 526158724 /nfs/dbraw/zinc/15/87/24/526158724.db2.gz LVWGPTUHHKNWDV-JTQLQIEISA-N 1 2 260.293 2.563 10 0 CFAELO Cc1nn(Cc2cc3ccccc3[nH+]c2N)c(C)c1C ZINC000050829815 526287222 /nfs/dbraw/zinc/28/72/22/526287222.db2.gz DXTNTECSHCJWNV-UHFFFAOYSA-N 1 2 266.348 2.987 10 0 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2.584 10 0 CFAELO CC[NH2+]c1ccc(N2CCOCC2)c(Br)c1 ZINC000226284759 382826143 /nfs/dbraw/zinc/82/61/43/382826143.db2.gz VLOJNWYWAYMQCX-UHFFFAOYSA-N 1 2 285.185 2.718 10 0 CFAELO COc1cccc2c1cc[nH+]c2N[C@H]1CCO[C@@H]1C ZINC000235045791 382876519 /nfs/dbraw/zinc/87/65/19/382876519.db2.gz QQWFFPHAMGQARH-MFKMUULPSA-N 1 2 258.321 2.833 10 0 CFAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ncc(C)s1 ZINC000245546927 383005526 /nfs/dbraw/zinc/00/55/26/383005526.db2.gz WVIDJEODZTVTBL-XQQFMLRXSA-N 1 2 294.420 2.758 10 0 CFAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ncc(C)s1 ZINC000245546927 383005530 /nfs/dbraw/zinc/00/55/30/383005530.db2.gz WVIDJEODZTVTBL-XQQFMLRXSA-N 1 2 294.420 2.758 10 0 CFAELO Cc1cc(N2CC[C@@]3(O)CCCC[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000246849501 383112172 /nfs/dbraw/zinc/11/21/72/383112172.db2.gz BJQRPYWNCSTLMV-YOEHRIQHSA-N 1 2 287.407 2.794 10 0 CFAELO COC(=O)[C@H](c1ccccc1C)[N@@H+]1CCS[C@@H](C)C1 ZINC000248633139 383276200 /nfs/dbraw/zinc/27/62/00/383276200.db2.gz SZLIOJOUUKRGTK-JSGCOSHPSA-N 1 2 279.405 2.646 10 0 CFAELO COC(=O)[C@H](c1ccccc1C)[N@H+]1CCS[C@@H](C)C1 ZINC000248633139 383276204 /nfs/dbraw/zinc/27/62/04/383276204.db2.gz SZLIOJOUUKRGTK-JSGCOSHPSA-N 1 2 279.405 2.646 10 0 CFAELO COc1cccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1F ZINC000249462381 383346809 /nfs/dbraw/zinc/34/68/09/383346809.db2.gz ZTRPRDQXJWABGL-ZIAGYGMSSA-N 1 2 279.355 2.978 10 0 CFAELO COc1cccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1F ZINC000249462381 383346812 /nfs/dbraw/zinc/34/68/12/383346812.db2.gz ZTRPRDQXJWABGL-ZIAGYGMSSA-N 1 2 279.355 2.978 10 0 CFAELO C[C@H]([NH2+]Cc1n[nH]c(=O)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000341063906 383550880 /nfs/dbraw/zinc/55/08/80/383550880.db2.gz GEGRCMJHGYBMDA-LURJTMIESA-N 1 2 287.150 2.668 10 0 CFAELO CC(C)c1nc2c(n1C)CC[N@H+](Cc1cccc(N)c1)C2 ZINC000261639197 383533660 /nfs/dbraw/zinc/53/36/60/383533660.db2.gz FVYQNUNHPKVMCY-UHFFFAOYSA-N 1 2 284.407 2.684 10 0 CFAELO CC(C)c1nc2c(n1C)CC[N@@H+](Cc1cccc(N)c1)C2 ZINC000261639197 383533663 /nfs/dbraw/zinc/53/36/63/383533663.db2.gz FVYQNUNHPKVMCY-UHFFFAOYSA-N 1 2 284.407 2.684 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cccc(N)c1)C2 ZINC000261639197 383533667 /nfs/dbraw/zinc/53/36/67/383533667.db2.gz FVYQNUNHPKVMCY-UHFFFAOYSA-N 1 2 284.407 2.684 10 0 CFAELO CCc1cc(N2CC[C@@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000264577743 383757620 /nfs/dbraw/zinc/75/76/20/383757620.db2.gz ZNFIBVSPLJAREG-GFCCVEGCSA-N 1 2 268.364 2.947 10 0 CFAELO COC(=O)C[C@@H](C)SCc1[nH+]ccn1C(C)C ZINC000265179123 383852791 /nfs/dbraw/zinc/85/27/91/383852791.db2.gz QNVLVLMXROMBPV-SNVBAGLBSA-N 1 2 256.371 2.649 10 0 CFAELO CC(C)c1nnc(C[N@@H+]2CCCc3ccccc3C2)n1C ZINC000171592017 413051679 /nfs/dbraw/zinc/05/16/79/413051679.db2.gz HMIWYURXDFHHOH-UHFFFAOYSA-N 1 2 284.407 2.887 10 0 CFAELO CC(C)c1nnc(C[N@H+]2CCCc3ccccc3C2)n1C ZINC000171592017 413051684 /nfs/dbraw/zinc/05/16/84/413051684.db2.gz HMIWYURXDFHHOH-UHFFFAOYSA-N 1 2 284.407 2.887 10 0 CFAELO Nc1ccc(NC(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)c[nH+]1 ZINC000237990836 131070948 /nfs/dbraw/zinc/07/09/48/131070948.db2.gz CLPXCTISXFHGPU-GDBMZVCRSA-N 1 2 297.358 2.770 10 0 CFAELO Cc1ccc2nc(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)cn2c1 ZINC000249745831 131122537 /nfs/dbraw/zinc/12/25/37/131122537.db2.gz ZNZMBYPGVNXHOY-CVEARBPZSA-N 1 2 285.391 2.786 10 0 CFAELO Cc1ccc2nc(C[N@H+]3CCO[C@H]4CCCC[C@H]43)cn2c1 ZINC000249745831 131122539 /nfs/dbraw/zinc/12/25/39/131122539.db2.gz ZNZMBYPGVNXHOY-CVEARBPZSA-N 1 2 285.391 2.786 10 0 CFAELO CCc1ccccc1CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188619631 393565442 /nfs/dbraw/zinc/56/54/42/393565442.db2.gz IPENREHLGCJVJI-QGZVFWFLSA-N 1 2 297.402 2.679 10 0 CFAELO NNc1nc(C(F)(F)F)c2c([nH+]1)-c1ccccc1CC2 ZINC000390825459 393592448 /nfs/dbraw/zinc/59/24/48/393592448.db2.gz YEHNAFFDIIYCBO-UHFFFAOYSA-N 1 2 280.253 2.547 10 0 CFAELO CCO[C@@H](C)c1noc(CSCc2[nH+]ccn2CC)n1 ZINC000083633786 393744249 /nfs/dbraw/zinc/74/42/49/393744249.db2.gz DOIBLIYMZWRTGZ-JTQLQIEISA-N 1 2 296.396 2.817 10 0 CFAELO CCc1nnc(C[N@H+](C)[C@H](C)c2ccc(C)cc2)n1C ZINC000195082402 393730455 /nfs/dbraw/zinc/73/04/55/393730455.db2.gz TUGLZLLZTADNFC-CYBMUJFWSA-N 1 2 272.396 2.879 10 0 CFAELO CCc1nnc(C[N@@H+](C)[C@H](C)c2ccc(C)cc2)n1C ZINC000195082402 393730457 /nfs/dbraw/zinc/73/04/57/393730457.db2.gz TUGLZLLZTADNFC-CYBMUJFWSA-N 1 2 272.396 2.879 10 0 CFAELO C[C@H]1CCCN(c2cc(NCc3ccccn3)[nH+]cn2)C1 ZINC000105785332 393864321 /nfs/dbraw/zinc/86/43/21/393864321.db2.gz QTZWALHAMLNSNV-ZDUSSCGKSA-N 1 2 283.379 2.720 10 0 CFAELO C[C@H]1CCCN(c2cc(NCc3ccccn3)nc[nH+]2)C1 ZINC000105785332 393864324 /nfs/dbraw/zinc/86/43/24/393864324.db2.gz QTZWALHAMLNSNV-ZDUSSCGKSA-N 1 2 283.379 2.720 10 0 CFAELO COC(=O)[C@]1(C)CCC[N@@H+]1C/C=C\c1ccccc1OC ZINC000428477191 393898506 /nfs/dbraw/zinc/89/85/06/393898506.db2.gz DNJQYCVTKCCXON-SKHCZCESSA-N 1 2 289.375 2.736 10 0 CFAELO COC(=O)[C@]1(C)CCC[N@H+]1C/C=C\c1ccccc1OC ZINC000428477191 393898508 /nfs/dbraw/zinc/89/85/08/393898508.db2.gz DNJQYCVTKCCXON-SKHCZCESSA-N 1 2 289.375 2.736 10 0 CFAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCCC2(CCCCC2)C1 ZINC000263296658 393961250 /nfs/dbraw/zinc/96/12/50/393961250.db2.gz WLJDUUZOPFBVAK-LBPRGKRZSA-N 1 2 286.366 2.557 10 0 CFAELO CCc1nnc(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)n1C ZINC000177827681 394384909 /nfs/dbraw/zinc/38/49/09/394384909.db2.gz DQBLACBNRJNLDJ-BLLLJJGKSA-N 1 2 270.380 2.571 10 0 CFAELO CCc1nnc(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)n1C ZINC000177827681 394384911 /nfs/dbraw/zinc/38/49/11/394384911.db2.gz DQBLACBNRJNLDJ-BLLLJJGKSA-N 1 2 270.380 2.571 10 0 CFAELO C[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccc2ccccc2c1 ZINC000186747372 543054584 /nfs/dbraw/zinc/05/45/84/543054584.db2.gz WNYFVUGXUAXWIW-ZDUSSCGKSA-N 1 2 293.370 2.993 10 0 CFAELO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000188965635 543065179 /nfs/dbraw/zinc/06/51/79/543065179.db2.gz NYJOWMKATDIFNQ-ZJUUUORDSA-N 1 2 289.301 2.580 10 0 CFAELO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000188965635 543065181 /nfs/dbraw/zinc/06/51/81/543065181.db2.gz NYJOWMKATDIFNQ-ZJUUUORDSA-N 1 2 289.301 2.580 10 0 CFAELO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)o1 ZINC000131130624 292247450 /nfs/dbraw/zinc/24/74/50/292247450.db2.gz TZECDIFTGPHHAO-RYUDHWBXSA-N 1 2 274.368 2.928 10 0 CFAELO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ncc[nH]1)CCO2 ZINC000139092755 286429206 /nfs/dbraw/zinc/42/92/06/286429206.db2.gz WABSQWBFXCMJFI-GXFFZTMASA-N 1 2 273.336 2.593 10 0 CFAELO CCOc1ccccc1[C@H](C)[NH2+]Cc1n[nH]cc1C ZINC000352834376 163248526 /nfs/dbraw/zinc/24/85/26/163248526.db2.gz LROVHJZNFIPKMS-LBPRGKRZSA-N 1 2 259.353 2.968 10 0 CFAELO C[C@H]1Cn2c(=O)[nH]c3cccc(c32)C[N@@H+]1Cc1ccco1 ZINC000006495358 170207091 /nfs/dbraw/zinc/20/70/91/170207091.db2.gz RQVOKTDBDMNGCN-NSHDSACASA-N 1 2 283.331 2.739 10 0 CFAELO C[C@H]1Cn2c(=O)[nH]c3cccc(c32)C[N@H+]1Cc1ccco1 ZINC000006495358 170207092 /nfs/dbraw/zinc/20/70/92/170207092.db2.gz RQVOKTDBDMNGCN-NSHDSACASA-N 1 2 283.331 2.739 10 0 CFAELO COc1ccc([NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000019964865 170946189 /nfs/dbraw/zinc/94/61/89/170946189.db2.gz ZADLVNUROUNPGX-UHFFFAOYSA-N 1 2 263.337 2.793 10 0 CFAELO Nc1cc(Cl)ccc1NCCCn1cc[nH+]c1 ZINC000020506328 171228631 /nfs/dbraw/zinc/22/86/31/171228631.db2.gz YPGRXXKWHNFUNA-UHFFFAOYSA-N 1 2 250.733 2.621 10 0 CFAELO Nc1ccc(NC(=O)CCCn2cc[nH+]c2)c(Cl)c1 ZINC000022168054 171366774 /nfs/dbraw/zinc/36/67/74/171366774.db2.gz XTFNKSOHPVXQJR-UHFFFAOYSA-N 1 2 278.743 2.538 10 0 CFAELO C[C@@H](C(=O)Nc1ccc(N)cc1Cl)[NH+]1CCCCC1 ZINC000022177422 171371295 /nfs/dbraw/zinc/37/12/95/171371295.db2.gz RMUQQYXORRPCLF-JTQLQIEISA-N 1 2 281.787 2.735 10 0 CFAELO C[C@H]([NH2+]Cc1c(Cl)ccc(Cl)c1Cl)C(N)=O ZINC000035055040 171956808 /nfs/dbraw/zinc/95/68/08/171956808.db2.gz ASBKJOUXFMHRLH-YFKPBYRVSA-N 1 2 281.570 2.610 10 0 CFAELO Nc1cnccc1SCc1cn2ccccc2[nH+]1 ZINC000037190219 173019929 /nfs/dbraw/zinc/01/99/29/173019929.db2.gz XZMUNGGNEKURIY-UHFFFAOYSA-N 1 2 256.334 2.604 10 0 CFAELO COc1c(C)c[nH+]c(CSc2ncccc2N)c1C ZINC000037190992 173020208 /nfs/dbraw/zinc/02/02/08/173020208.db2.gz UQCXIHUEOJXKAT-UHFFFAOYSA-N 1 2 275.377 2.977 10 0 CFAELO O=c1nc(C[NH2+]CC2CCCCC2)[nH]c2ccsc21 ZINC000037247413 173060514 /nfs/dbraw/zinc/06/05/14/173060514.db2.gz SEJKZNAUARSEPD-UHFFFAOYSA-N 1 2 277.393 2.655 10 0 CFAELO C[C@@H]([NH2+][C@H](c1ccco1)c1ccc(Cl)s1)C(N)=O ZINC000037261451 173071665 /nfs/dbraw/zinc/07/16/65/173071665.db2.gz RIGLUDLUAAPLRP-RDDDGLTNSA-N 1 2 284.768 2.547 10 0 CFAELO CC[C@H]([NH2+]c1ccc(-n2cnnn2)c(C)c1)C(C)C ZINC000037313495 173115711 /nfs/dbraw/zinc/11/57/11/173115711.db2.gz JLHMVHRXYRQSEC-ZDUSSCGKSA-N 1 2 259.357 2.817 10 0 CFAELO C[C@@H]1CCCC[N@@H+]1CC(=O)c1cc(F)ccc1O ZINC000037332346 173133743 /nfs/dbraw/zinc/13/37/43/173133743.db2.gz NNGBHYNDXMQCKC-SNVBAGLBSA-N 1 2 251.301 2.588 10 0 CFAELO C[C@@H]1CCCC[N@H+]1CC(=O)c1cc(F)ccc1O ZINC000037332346 173133745 /nfs/dbraw/zinc/13/37/45/173133745.db2.gz NNGBHYNDXMQCKC-SNVBAGLBSA-N 1 2 251.301 2.588 10 0 CFAELO CC[NH2+][C@](C)(C(=O)OC)c1ccc(C(C)(C)C)cc1 ZINC000037446669 173213735 /nfs/dbraw/zinc/21/37/35/173213735.db2.gz SOGHBBVNTBOOCI-INIZCTEOSA-N 1 2 263.381 2.982 10 0 CFAELO CC[NH2+][C@]1(C(=O)OCC)CCCCc2ccccc21 ZINC000037447218 173215152 /nfs/dbraw/zinc/21/51/52/173215152.db2.gz ZGOXUIUGQRRHCE-MRXNPFEDSA-N 1 2 261.365 2.781 10 0 CFAELO CCC[NH2+][C@](C)(C(=O)OC)c1ccc(SC)cc1 ZINC000037513434 173244724 /nfs/dbraw/zinc/24/47/24/173244724.db2.gz PTKXSNVWRMFRAZ-AWEZNQCLSA-N 1 2 267.394 2.796 10 0 CFAELO CC1(C)C[N@H+](Cc2ccc(N)cc2Br)CCO1 ZINC000037515999 173247486 /nfs/dbraw/zinc/24/74/86/173247486.db2.gz UVAFJTLMGSFGQS-UHFFFAOYSA-N 1 2 299.212 2.642 10 0 CFAELO CC1(C)C[N@@H+](Cc2ccc(N)cc2Br)CCO1 ZINC000037515999 173247487 /nfs/dbraw/zinc/24/74/87/173247487.db2.gz UVAFJTLMGSFGQS-UHFFFAOYSA-N 1 2 299.212 2.642 10 0 CFAELO CC[C@@H]1COCC[N@@H+]1Cc1ccc(N)cc1Br ZINC000037516001 173247728 /nfs/dbraw/zinc/24/77/28/173247728.db2.gz PCKGWJZKKJNKJM-GFCCVEGCSA-N 1 2 299.212 2.642 10 0 CFAELO CC[C@@H]1COCC[N@H+]1Cc1ccc(N)cc1Br ZINC000037516001 173247729 /nfs/dbraw/zinc/24/77/29/173247729.db2.gz PCKGWJZKKJNKJM-GFCCVEGCSA-N 1 2 299.212 2.642 10 0 CFAELO C[C@@H](Nc1ccc[nH+]c1N1CCCC1)c1cc[nH]n1 ZINC000037907262 173839995 /nfs/dbraw/zinc/83/99/95/173839995.db2.gz VBBMZKGNHONQSR-LLVKDONJSA-N 1 2 257.341 2.578 10 0 CFAELO CCOC(=O)[C@@H]([NH2+]C1CCCC1)c1cccc(OC)c1 ZINC000037970801 173921479 /nfs/dbraw/zinc/92/14/79/173921479.db2.gz YDCKNZQKHCIXKK-HNNXBMFYSA-N 1 2 277.364 2.832 10 0 CFAELO NC(=S)c1c[nH+]c2ccccc2c1-n1cc(Cl)cn1 ZINC000038053537 174065353 /nfs/dbraw/zinc/06/53/53/174065353.db2.gz HNFGORHVWSCVNZ-UHFFFAOYSA-N 1 2 288.763 2.708 10 0 CFAELO CCOC(=O)[C@](C)([NH2+][C@H](C)CC)c1ccc(F)cc1 ZINC000038067376 174079334 /nfs/dbraw/zinc/07/93/34/174079334.db2.gz RMMYLGYKHUPHTA-IAQYHMDHSA-N 1 2 267.344 2.992 10 0 CFAELO c1nc(CNc2ccc[nH+]c2N2CCCC2)cs1 ZINC000040504252 174301133 /nfs/dbraw/zinc/30/11/33/174301133.db2.gz RPWMFCWDTNQQDY-UHFFFAOYSA-N 1 2 260.366 2.750 10 0 CFAELO Cc1cccc(-n2cc[nH+]c2-c2ccc(N)cc2)n1 ZINC000040517009 174307602 /nfs/dbraw/zinc/30/76/02/174307602.db2.gz LCSOZCKMUJXPOG-UHFFFAOYSA-N 1 2 250.305 2.825 10 0 CFAELO CCCNc1nc[nH+]c(Nc2ccc(OC)cc2)c1N ZINC000040707790 174380210 /nfs/dbraw/zinc/38/02/10/174380210.db2.gz UPFKBLJYHISEDK-UHFFFAOYSA-N 1 2 273.340 2.633 10 0 CFAELO CCCNc1[nH+]cnc(Nc2ccc(OC)cc2)c1N ZINC000040707790 174380211 /nfs/dbraw/zinc/38/02/11/174380211.db2.gz UPFKBLJYHISEDK-UHFFFAOYSA-N 1 2 273.340 2.633 10 0 CFAELO CCN(CC)c1[nH+]cnc(Nc2ccccc2F)c1N ZINC000040723201 174385177 /nfs/dbraw/zinc/38/51/77/174385177.db2.gz QDULSACNGXIKRB-UHFFFAOYSA-N 1 2 275.331 2.788 10 0 CFAELO Nc1c(NCCC2=CCCCC2)[nH+]cnc1-n1ccnc1 ZINC000040756213 174396416 /nfs/dbraw/zinc/39/64/16/174396416.db2.gz CRSMSMNDTFXDMC-UHFFFAOYSA-N 1 2 284.367 2.547 10 0 CFAELO CC[C@@H](C)CN(C)c1[nH+]c(C)ccc1C(N)=S ZINC000043396627 175036054 /nfs/dbraw/zinc/03/60/54/175036054.db2.gz WNVXOAFFYRYLBU-SECBINFHSA-N 1 2 251.399 2.507 10 0 CFAELO Cc1ccc(C(N)=S)c(N[C@@H](C)Cc2ccco2)[nH+]1 ZINC000043396855 175036108 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175045691 /nfs/dbraw/zinc/04/56/91/175045691.db2.gz HVDDBNVQZFSSDV-UHFFFAOYSA-N 1 2 263.385 2.994 10 0 CFAELO COc1cc(OC)c([NH2+]CCCCO)cc1Cl ZINC000043445332 175047859 /nfs/dbraw/zinc/04/78/59/175047859.db2.gz SFOSNAGLPXYDNJ-UHFFFAOYSA-N 1 2 259.733 2.542 10 0 CFAELO CN(C)C(=O)CCC[NH2+]c1ccc(OC(F)F)cc1 ZINC000043448311 175048929 /nfs/dbraw/zinc/04/89/29/175048929.db2.gz HYNGATGDYMMXGB-UHFFFAOYSA-N 1 2 272.295 2.568 10 0 CFAELO CC[NH2+][C@@H]1c2c(c(Cl)ccc2Cl)S(=O)(=O)[C@H]1C ZINC000043636452 175083384 /nfs/dbraw/zinc/08/33/84/175083384.db2.gz FMONOVFHFQZGOR-WKEGUHRASA-N 1 2 294.203 2.820 10 0 CFAELO C[N@H+](Cc1ccccc1)[C@H]1COc2ccccc2[C@@H]1O ZINC000044123471 175143602 /nfs/dbraw/zinc/14/36/02/175143602.db2.gz RPNOOACQTNKIJD-RDJZCZTQSA-N 1 2 269.344 2.613 10 0 CFAELO C[N@@H+](Cc1ccccc1)[C@H]1COc2ccccc2[C@@H]1O ZINC000044123471 175143604 /nfs/dbraw/zinc/14/36/04/175143604.db2.gz RPNOOACQTNKIJD-RDJZCZTQSA-N 1 2 269.344 2.613 10 0 CFAELO Nc1cc(-c2ccccc2Cl)[nH+]c(N2CCCC2)n1 ZINC000044263373 175157333 /nfs/dbraw/zinc/15/73/33/175157333.db2.gz BMDZRFMRFPMQRZ-UHFFFAOYSA-N 1 2 274.755 2.979 10 0 CFAELO COC(=O)[C@H]([NH2+][C@@H]1CCCc2cc(O)ccc21)C(C)C ZINC000044747051 175242718 /nfs/dbraw/zinc/24/27/18/175242718.db2.gz KDHIVYOANAQCBS-HUUCEWRRSA-N 1 2 277.364 2.557 10 0 CFAELO CC[C@H](C)NC(=O)CCNc1ccc2[nH+]cccc2c1N ZINC000044990328 175286057 /nfs/dbraw/zinc/28/60/57/175286057.db2.gz QCJKHBSEULKHBH-NSHDSACASA-N 1 2 286.379 2.534 10 0 CFAELO Cc1nn(C)c(C)c1[C@H](C)Nc1ccc(N(C)C)[nH+]c1 ZINC000045170421 175320723 /nfs/dbraw/zinc/32/07/23/175320723.db2.gz SZIVXQPHNYPALT-JTQLQIEISA-N 1 2 273.384 2.671 10 0 CFAELO CCCC[NH+](CCCC)C[C@](C)([NH2+]CCC)C(=O)[O-] ZINC000045232670 175336175 /nfs/dbraw/zinc/33/61/75/175336175.db2.gz NWIDPUYLFCLWNN-HNNXBMFYSA-N 1 2 272.433 2.732 10 0 CFAELO CCC[NH2+][C@](C)(CN(CC)c1cccc(C)c1)C(=O)OC ZINC000045273181 175344068 /nfs/dbraw/zinc/34/40/68/175344068.db2.gz ZGLHDCMREJOFDD-QGZVFWFLSA-N 1 2 292.423 2.753 10 0 CFAELO CCCCC[N@H+](C[C@@](C)([NH2+]CCC)C(=O)[O-])C(C)C ZINC000045278536 175347999 /nfs/dbraw/zinc/34/79/99/175347999.db2.gz SJZDNRFKEKWSTH-OAHLLOKOSA-N 1 2 272.433 2.730 10 0 CFAELO CCCCC[N@@H+](C[C@@](C)([NH2+]CCC)C(=O)[O-])C(C)C ZINC000045278536 175348000 /nfs/dbraw/zinc/34/80/00/175348000.db2.gz SJZDNRFKEKWSTH-OAHLLOKOSA-N 1 2 272.433 2.730 10 0 CFAELO CCc1cc(NC)nc(-c2ccc3nccnc3c2)[nH+]1 ZINC000070433605 175928619 /nfs/dbraw/zinc/92/86/19/175928619.db2.gz XYTARWLSJPHMIK-UHFFFAOYSA-N 1 2 265.320 2.691 10 0 CFAELO CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1N(C)C ZINC000072237217 176346094 /nfs/dbraw/zinc/34/60/94/176346094.db2.gz RKDGJEBBRXRAAF-UHFFFAOYSA-N 1 2 288.347 2.876 10 0 CFAELO CCC1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000074401977 176539501 /nfs/dbraw/zinc/53/95/01/176539501.db2.gz YQCBORJHFCTUSV-UHFFFAOYSA-N 1 2 298.390 2.966 10 0 CFAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccccc1OC(F)F ZINC000077367690 177258278 /nfs/dbraw/zinc/25/82/78/177258278.db2.gz VIEIJQZLUGPYPC-PHIMTYICSA-N 1 2 271.307 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ZINC000195097933 324101190 /nfs/dbraw/zinc/10/11/90/324101190.db2.gz DSNHIVRDHBYYIO-UHFFFAOYSA-N 1 2 294.443 2.576 10 0 CFAELO CCn1cc[nH+]c1CN(C)c1c(F)cccc1F ZINC000195515201 324108206 /nfs/dbraw/zinc/10/82/06/324108206.db2.gz HZCFYINDAVUNRV-UHFFFAOYSA-N 1 2 251.280 2.818 10 0 CFAELO COC(=O)[C@H]1C[C@H](Oc2ccc(C(C)C)cc2Cl)C[NH2+]1 ZINC000098089371 328701674 /nfs/dbraw/zinc/70/16/74/328701674.db2.gz GANUGZJIPCESOX-WCQYABFASA-N 1 2 297.782 2.746 10 0 CFAELO CCCNc1snnc1C[N@H+](CCOC)[C@H](C)CC ZINC000050816996 520203209 /nfs/dbraw/zinc/20/32/09/520203209.db2.gz ROKDBXKWEKDPDR-LLVKDONJSA-N 1 2 286.445 2.607 10 0 CFAELO CCCNc1snnc1C[N@@H+](CCOC)[C@H](C)CC ZINC000050816996 520203219 /nfs/dbraw/zinc/20/32/19/520203219.db2.gz ROKDBXKWEKDPDR-LLVKDONJSA-N 1 2 286.445 2.607 10 0 CFAELO CCNc1ccc(CN2CCCCCCC2=O)c[nH+]1 ZINC000050829001 520302220 /nfs/dbraw/zinc/30/22/20/520302220.db2.gz VMSITCXFGAFQKI-UHFFFAOYSA-N 1 2 261.369 2.806 10 0 CFAELO CCNc1snnc1C[N@H+](C)CC1CCCCC1 ZINC000050817694 520384595 /nfs/dbraw/zinc/38/45/95/520384595.db2.gz GZJZKBRPIVWJNX-UHFFFAOYSA-N 1 2 268.430 2.982 10 0 CFAELO CCNc1snnc1C[N@@H+](C)CC1CCCCC1 ZINC000050817694 520384602 /nfs/dbraw/zinc/38/46/02/520384602.db2.gz GZJZKBRPIVWJNX-UHFFFAOYSA-N 1 2 268.430 2.982 10 0 CFAELO CC[N@H+](CCOC)Cc1nc2sccc2c(Cl)n1 ZINC000050840227 521138510 /nfs/dbraw/zinc/13/85/10/521138510.db2.gz KJRIWSJATHYAHU-UHFFFAOYSA-N 1 2 285.800 2.813 10 0 CFAELO CC[N@@H+](CCOC)Cc1nc2sccc2c(Cl)n1 ZINC000050840227 521138518 /nfs/dbraw/zinc/13/85/18/521138518.db2.gz KJRIWSJATHYAHU-UHFFFAOYSA-N 1 2 285.800 2.813 10 0 CFAELO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H]2c2ccco2)nn1 ZINC000191351081 519155348 /nfs/dbraw/zinc/15/53/48/519155348.db2.gz VSQDKIXGUKDPDV-ZDUSSCGKSA-N 1 2 274.368 2.963 10 0 CFAELO CC(C)(C)n1cc(C[N@H+]2CCC[C@H]2c2ccco2)nn1 ZINC000191351081 519155355 /nfs/dbraw/zinc/15/53/55/519155355.db2.gz VSQDKIXGUKDPDV-ZDUSSCGKSA-N 1 2 274.368 2.963 10 0 CFAELO CC(C)OCC[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000173705118 519768283 /nfs/dbraw/zinc/76/82/83/519768283.db2.gz BAWXVZCMWPOMDV-UHFFFAOYSA-N 1 2 281.400 2.977 10 0 CFAELO CC(C)c1cc(N)nc(-c2ccc(N(C)C)cc2)[nH+]1 ZINC000050866963 519832923 /nfs/dbraw/zinc/83/29/23/519832923.db2.gz GKJKOFMPDHEVNL-UHFFFAOYSA-N 1 2 256.353 2.915 10 0 CFAELO CC(C)c1n[nH]c(=S)n1[C@H](C)Cn1cc[nH+]c1 ZINC000049236177 519857893 /nfs/dbraw/zinc/85/78/93/519857893.db2.gz LYWQXONAYJNKAE-SECBINFHSA-N 1 2 251.359 2.522 10 0 CFAELO CCC[NH2+][C@@H](CSc1cccs1)C(=O)OCC ZINC000045553250 520013115 /nfs/dbraw/zinc/01/31/15/520013115.db2.gz WKRMEMDLGDUTBN-JTQLQIEISA-N 1 2 273.423 2.772 10 0 CFAELO CCCCCCOCC[C@@H]([NH2+]C(C)C)C(=O)OC ZINC000062542404 520101331 /nfs/dbraw/zinc/10/13/31/520101331.db2.gz CPPORRGTBFIUOD-CYBMUJFWSA-N 1 2 259.390 2.513 10 0 CFAELO CC[NH2+][C@@H](CSCc1cccc(C)c1)C(=O)OCC ZINC000054966446 520102627 /nfs/dbraw/zinc/10/26/27/520102627.db2.gz YITWLJFURUBKJC-AWEZNQCLSA-N 1 2 281.421 2.769 10 0 CFAELO CCCNc1ccc(CSCCC(=O)OC)c[nH+]1 ZINC000050838470 520159922 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RGNVYGUDVPUKHC-HNNXBMFYSA-N 1 2 285.395 2.731 10 0 CFAELO C[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(F)c(F)c1 ZINC000014217175 372064476 /nfs/dbraw/zinc/06/44/76/372064476.db2.gz HVNPVGIBXDTNBA-QMMMGPOBSA-N 1 2 289.289 2.815 10 0 CFAELO C[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(F)c(F)c1 ZINC000014217173 372064707 /nfs/dbraw/zinc/06/47/07/372064707.db2.gz HVNPVGIBXDTNBA-MRVPVSSYSA-N 1 2 289.289 2.815 10 0 CFAELO [NH3+]N1CCC2(CC1)O[C@@H](c1ccccc1)c1ccccc12 ZINC000033828774 372499869 /nfs/dbraw/zinc/49/98/69/372499869.db2.gz ZQBMIDLBCFJEFK-KRWDZBQOSA-N 1 2 280.371 2.971 10 0 CFAELO CN1c2ccc(Cl)cc2[C@H](c2ccccc2)[NH2+]CC1=O ZINC000033902781 372501695 /nfs/dbraw/zinc/50/16/95/372501695.db2.gz ZYOLWAPZVQXTTM-INIZCTEOSA-N 1 2 286.762 2.995 10 0 CFAELO O=C(Cc1[nH]cc[nH+]1)c1ccc(Br)cc1 ZINC000034083805 372504491 /nfs/dbraw/zinc/50/44/91/372504491.db2.gz YSDVNEBDANWNNY-UHFFFAOYSA-N 1 2 265.110 2.598 10 0 CFAELO CNC(=O)C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035791419 372552528 /nfs/dbraw/zinc/55/25/28/372552528.db2.gz FMELIXHMLOTWED-LURJTMIESA-N 1 2 279.142 2.529 10 0 CFAELO Cc1nc(C(C)C)oc1CSc1nc(N)cc(C)[nH+]1 ZINC000333082860 205016251 /nfs/dbraw/zinc/01/62/51/205016251.db2.gz QUTNGNVRGXVKFL-UHFFFAOYSA-N 1 2 278.381 2.910 10 0 CFAELO Cc1noc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000037980748 372748267 /nfs/dbraw/zinc/74/82/67/372748267.db2.gz QXLXXTGIKLVFGE-ZETCQYMHSA-N 1 2 253.252 2.507 10 0 CFAELO CC(C)[C@H](C)Cc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000333298054 205195664 /nfs/dbraw/zinc/19/56/64/205195664.db2.gz BKBRBECHBHUENW-HZSPNIEDSA-N 1 2 293.411 2.830 10 0 CFAELO CC(C)[C@H](C)Cc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000333298054 205195665 /nfs/dbraw/zinc/19/56/65/205195665.db2.gz BKBRBECHBHUENW-HZSPNIEDSA-N 1 2 293.411 2.830 10 0 CFAELO CC1(C)OC[C@@H](COc2ccc(-c3[nH]cc[nH+]3)cc2)O1 ZINC000089202521 374886848 /nfs/dbraw/zinc/88/68/48/374886848.db2.gz RGWHEPANWICREU-CYBMUJFWSA-N 1 2 274.320 2.607 10 0 CFAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cnc(C)s1 ZINC000090419209 375013456 /nfs/dbraw/zinc/01/34/56/375013456.db2.gz WELXOWKCVIZQQI-GXSJLCMTSA-N 1 2 291.424 2.791 10 0 CFAELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000092708126 375141535 /nfs/dbraw/zinc/14/15/35/375141535.db2.gz BDCSYIVMHPYAQV-OAHLLOKOSA-N 1 2 296.361 2.846 10 0 CFAELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000092708126 375141540 /nfs/dbraw/zinc/14/15/40/375141540.db2.gz BDCSYIVMHPYAQV-OAHLLOKOSA-N 1 2 296.361 2.846 10 0 CFAELO Cc1ccc2ncc(C[NH+]3CCC(c4ccn[nH]4)CC3)n2c1 ZINC000092811050 375157748 /nfs/dbraw/zinc/15/77/48/375157748.db2.gz YXOJPWASHBUKQU-UHFFFAOYSA-N 1 2 295.390 2.745 10 0 CFAELO COC(=O)c1ccccc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000092810631 375158019 /nfs/dbraw/zinc/15/80/19/375158019.db2.gz RUTQMVZFSKXNEF-UHFFFAOYSA-N 1 2 299.374 2.576 10 0 CFAELO c1csc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000092831946 375162311 /nfs/dbraw/zinc/16/23/11/375162311.db2.gz YBKRSCLKFASELL-LLVKDONJSA-N 1 2 266.391 2.778 10 0 CFAELO c1csc(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000092831946 375162320 /nfs/dbraw/zinc/16/23/20/375162320.db2.gz YBKRSCLKFASELL-LLVKDONJSA-N 1 2 266.391 2.778 10 0 CFAELO C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cccc[nH+]1 ZINC000095090855 375412059 /nfs/dbraw/zinc/41/20/59/375412059.db2.gz UOBLWUNWOVNTAJ-LBPRGKRZSA-N 1 2 277.368 2.527 10 0 CFAELO COC(=O)c1cc(N)ccc1[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000041081952 284531937 /nfs/dbraw/zinc/53/19/37/284531937.db2.gz KWIFEFCRPLIJLJ-GHMZBOCLSA-N 1 2 262.353 2.538 10 0 CFAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000105922123 375794701 /nfs/dbraw/zinc/79/47/01/375794701.db2.gz GJOQJXGXHVBZIP-ZDUSSCGKSA-N 1 2 293.411 2.516 10 0 CFAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)OC(C)(C)C ZINC000105922123 375794706 /nfs/dbraw/zinc/79/47/06/375794706.db2.gz GJOQJXGXHVBZIP-ZDUSSCGKSA-N 1 2 293.411 2.516 10 0 CFAELO CCOCCCCNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000110242842 375827114 /nfs/dbraw/zinc/82/71/14/375827114.db2.gz RHZUTEWUPOKHOI-CQSZACIVSA-N 1 2 292.427 2.942 10 0 CFAELO CCOCCCCNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000110242842 375827120 /nfs/dbraw/zinc/82/71/20/375827120.db2.gz RHZUTEWUPOKHOI-CQSZACIVSA-N 1 2 292.427 2.942 10 0 CFAELO COc1cccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000111691561 375864135 /nfs/dbraw/zinc/86/41/35/375864135.db2.gz SQCUWQLXJJEAGS-AWEZNQCLSA-N 1 2 290.388 2.725 10 0 CFAELO COc1cccc(C[N@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000111691561 375864143 /nfs/dbraw/zinc/86/41/43/375864143.db2.gz SQCUWQLXJJEAGS-AWEZNQCLSA-N 1 2 290.388 2.725 10 0 CFAELO CC/C=C(/C)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112667255 375940620 /nfs/dbraw/zinc/94/06/20/375940620.db2.gz MFJXVKNCAWDRQM-GHXNOFRVSA-N 1 2 275.396 2.785 10 0 CFAELO Cc1cc(N2CCC[C@@H]2c2cnn(C)c2)nc(C2CC2)[nH+]1 ZINC000116260901 376173143 /nfs/dbraw/zinc/17/31/43/376173143.db2.gz KSEPLZSQIRBABD-CQSZACIVSA-N 1 2 283.379 2.737 10 0 CFAELO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116293367 376178007 /nfs/dbraw/zinc/17/80/07/376178007.db2.gz AZKHVZITPUTMLS-NSHDSACASA-N 1 2 251.326 2.758 10 0 CFAELO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000116293367 376178015 /nfs/dbraw/zinc/17/80/15/376178015.db2.gz AZKHVZITPUTMLS-NSHDSACASA-N 1 2 251.326 2.758 10 0 CFAELO CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000119293617 376387261 /nfs/dbraw/zinc/38/72/61/376387261.db2.gz CSMAAUSNJZDJTR-CABCVRRESA-N 1 2 293.411 2.560 10 0 CFAELO CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000119293617 376387267 /nfs/dbraw/zinc/38/72/67/376387267.db2.gz CSMAAUSNJZDJTR-CABCVRRESA-N 1 2 293.411 2.560 10 0 CFAELO Cc1ccc(N[C@H](C)CS(=O)(=O)c2ccccc2)c[nH+]1 ZINC000120318361 376591893 /nfs/dbraw/zinc/59/18/93/376591893.db2.gz GMZZZKSYJCKANF-CYBMUJFWSA-N 1 2 290.388 2.664 10 0 CFAELO C[C@@H]1COC[C@@H](C)N1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000120779591 376692470 /nfs/dbraw/zinc/69/24/70/376692470.db2.gz HFWPZTZWCPVQOU-GHMZBOCLSA-N 1 2 279.771 2.597 10 0 CFAELO CCO[C@H]1C[C@@H]([N@H+](C)Cc2noc(C)n2)C12CCCC2 ZINC000121150132 376771618 /nfs/dbraw/zinc/77/16/18/376771618.db2.gz FEJXBOFNDAHUCE-OLZOCXBDSA-N 1 2 279.384 2.548 10 0 CFAELO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2noc(C)n2)C12CCCC2 ZINC000121150132 376771629 /nfs/dbraw/zinc/77/16/29/376771629.db2.gz FEJXBOFNDAHUCE-OLZOCXBDSA-N 1 2 279.384 2.548 10 0 CFAELO Cc1csc([C@@H]2CCC[N@H+](Cc3csnn3)C2)n1 ZINC000127580883 377289456 /nfs/dbraw/zinc/28/94/56/377289456.db2.gz ODFSRMHXHVGBES-SNVBAGLBSA-N 1 2 280.422 2.683 10 0 CFAELO Cc1csc([C@@H]2CCC[N@@H+](Cc3csnn3)C2)n1 ZINC000127580883 377289462 /nfs/dbraw/zinc/28/94/62/377289462.db2.gz ODFSRMHXHVGBES-SNVBAGLBSA-N 1 2 280.422 2.683 10 0 CFAELO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1nnc2n1CCCC2 ZINC000131033330 377648242 /nfs/dbraw/zinc/64/82/42/377648242.db2.gz IWXRYTITAPPKQQ-WDEREUQCSA-N 1 2 260.341 2.619 10 0 CFAELO CCC[C@@H]([NH2+][C@@H](C)COCC)C(=O)OC(C)(C)C ZINC000154850012 378598476 /nfs/dbraw/zinc/59/84/76/378598476.db2.gz OGGRYAHKDVMTDS-NWDGAFQWSA-N 1 2 259.390 2.511 10 0 CFAELO CCC[C@@H]([NH2+][C@@H]1CCCSC1)C(=O)OC(C)(C)C ZINC000154852702 378598623 /nfs/dbraw/zinc/59/86/23/378598623.db2.gz WHFPHJFENIWHOG-VXGBXAGGSA-N 1 2 273.442 2.982 10 0 CFAELO C[N@H+]1Cc2ccc(Cl)nc2O[C@@H](CC(F)(F)F)C1 ZINC000165969198 379047337 /nfs/dbraw/zinc/04/73/37/379047337.db2.gz QCEDERFHNSPCJD-QMMMGPOBSA-N 1 2 280.677 2.880 10 0 CFAELO C[N@@H+]1Cc2ccc(Cl)nc2O[C@@H](CC(F)(F)F)C1 ZINC000165969198 379047344 /nfs/dbraw/zinc/04/73/44/379047344.db2.gz QCEDERFHNSPCJD-QMMMGPOBSA-N 1 2 280.677 2.880 10 0 CFAELO c1csc([C@@H]2C[N@H+]([C@H]3C=CCCC3)CCO2)n1 ZINC000171736284 379389525 /nfs/dbraw/zinc/38/95/25/379389525.db2.gz JRBWXYRUYIFCJD-RYUDHWBXSA-N 1 2 250.367 2.625 10 0 CFAELO c1csc([C@@H]2C[N@@H+]([C@H]3C=CCCC3)CCO2)n1 ZINC000171736284 379389533 /nfs/dbraw/zinc/38/95/33/379389533.db2.gz JRBWXYRUYIFCJD-RYUDHWBXSA-N 1 2 250.367 2.625 10 0 CFAELO CCc1nnc(C[NH2+][C@@H](c2ncccc2C)C(C)C)n1C ZINC000172817783 379652211 /nfs/dbraw/zinc/65/22/11/379652211.db2.gz MRAQYPOJXJDDOA-OAHLLOKOSA-N 1 2 287.411 2.568 10 0 CFAELO CC(C)n1nnnc1C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000174508876 379898947 /nfs/dbraw/zinc/89/89/47/379898947.db2.gz VYOIYIZTKXZYNY-OLZOCXBDSA-N 1 2 289.383 2.820 10 0 CFAELO CC(C)n1nnnc1C[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000174508876 379898952 /nfs/dbraw/zinc/89/89/52/379898952.db2.gz VYOIYIZTKXZYNY-OLZOCXBDSA-N 1 2 289.383 2.820 10 0 CFAELO Cc1ccccc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176333521 380215850 /nfs/dbraw/zinc/21/58/50/380215850.db2.gz VTWKSNNFGGJLMU-CQSZACIVSA-N 1 2 284.363 2.888 10 0 CFAELO CC(C)n1cc[nH+]c1CN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000176430905 380232544 /nfs/dbraw/zinc/23/25/44/380232544.db2.gz WWWHXFZUJDRTBN-GFCCVEGCSA-N 1 2 281.400 2.626 10 0 CFAELO CC(C)n1nnnc1C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000179607854 380563319 /nfs/dbraw/zinc/56/33/19/380563319.db2.gz FJDKCIBELBCBBC-UHFFFAOYSA-N 1 2 293.802 2.932 10 0 CFAELO Cn1c(C[NH2+]C2(c3cccc(F)c3)CC2)nnc1C1CC1 ZINC000179681574 380570218 /nfs/dbraw/zinc/57/02/18/380570218.db2.gz ZMNJCENHADYMJG-UHFFFAOYSA-N 1 2 286.354 2.611 10 0 CFAELO Cc1cnc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)s1 ZINC000180471792 380664947 /nfs/dbraw/zinc/66/49/47/380664947.db2.gz TXQNUOGJEHXYQW-GFCCVEGCSA-N 1 2 262.382 2.522 10 0 CFAELO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)s1 ZINC000180471792 380664950 /nfs/dbraw/zinc/66/49/50/380664950.db2.gz TXQNUOGJEHXYQW-GFCCVEGCSA-N 1 2 262.382 2.522 10 0 CFAELO C[C@@H]([NH2+]CC(F)F)c1ccc(N2CCCC2=O)cc1 ZINC000181376932 380783922 /nfs/dbraw/zinc/78/39/22/380783922.db2.gz YKYDTFWJJDELHS-SNVBAGLBSA-N 1 2 268.307 2.729 10 0 CFAELO Cc1nc(C[N@H+](CCO)Cc2ccc(C)cc2)oc1C ZINC000181962597 380950124 /nfs/dbraw/zinc/95/01/24/380950124.db2.gz GVMTUVYEMRXVLE-UHFFFAOYSA-N 1 2 274.364 2.594 10 0 CFAELO Cc1nc(C[N@@H+](CCO)Cc2ccc(C)cc2)oc1C ZINC000181962597 380950128 /nfs/dbraw/zinc/95/01/28/380950128.db2.gz GVMTUVYEMRXVLE-UHFFFAOYSA-N 1 2 274.364 2.594 10 0 CFAELO CCn1c(C)nnc1C[NH2+][C@H](C)c1cccc(F)c1F ZINC000181954580 380947961 /nfs/dbraw/zinc/94/79/61/380947961.db2.gz GYVJVLDVMNYDEF-SECBINFHSA-N 1 2 280.322 2.735 10 0 CFAELO CCn1nc(C)c(C[NH2+][C@@H](C)c2ncc(C)o2)c1C ZINC000307977289 382472768 /nfs/dbraw/zinc/47/27/68/382472768.db2.gz APDCRSGQJOGSQM-NSHDSACASA-N 1 2 262.357 2.667 10 0 CFAELO CCN(c1cccc(F)c1)c1nnc(C)c(C)c1C(N)=[NH2+] ZINC000044926024 184561499 /nfs/dbraw/zinc/56/14/99/184561499.db2.gz KKYUVZCGLUBRPN-UHFFFAOYSA-N 1 2 287.342 2.675 10 0 CFAELO CCC(=O)CC[N@@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000190206069 382657102 /nfs/dbraw/zinc/65/71/02/382657102.db2.gz PIZMBVJSJLMPQQ-LBPRGKRZSA-N 1 2 265.357 2.699 10 0 CFAELO CCC(=O)CC[N@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000190206069 382657103 /nfs/dbraw/zinc/65/71/03/382657103.db2.gz PIZMBVJSJLMPQQ-LBPRGKRZSA-N 1 2 265.357 2.699 10 0 CFAELO Clc1ccsc1C[NH2+][C@H]1CCCn2ncnc21 ZINC000193141826 382716295 /nfs/dbraw/zinc/71/62/95/382716295.db2.gz SDQVBLYWKNBTPF-VIFPVBQESA-N 1 2 268.773 2.618 10 0 CFAELO [NH3+][C@H](c1cnsc1)c1occc1Br ZINC000575505893 382772918 /nfs/dbraw/zinc/77/29/18/382772918.db2.gz AHQZUHALEUCAEQ-SSDOTTSWSA-N 1 2 259.128 2.547 10 0 CFAELO C[C@H]1CS[C@H](c2ccncc2Br)[NH2+]1 ZINC000575545861 382773702 /nfs/dbraw/zinc/77/37/02/382773702.db2.gz NSEXOYXQVKYHIU-IMTBSYHQSA-N 1 2 259.172 2.568 10 0 CFAELO Cc1cnn(CCNc2[nH+]ccc(C)c2Br)c1 ZINC000227832709 382841052 /nfs/dbraw/zinc/84/10/52/382841052.db2.gz OAKCGDWNSAIQDQ-UHFFFAOYSA-N 1 2 295.184 2.770 10 0 CFAELO COc1cccc2c1cc[nH+]c2NC[C@H]1CCC[C@H]1O ZINC000235035816 382876620 /nfs/dbraw/zinc/87/66/20/382876620.db2.gz OUEWTHHWQPJICN-BXUZGUMPSA-N 1 2 272.348 2.816 10 0 CFAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ncc(C)s1 ZINC000245546916 383005748 /nfs/dbraw/zinc/00/57/48/383005748.db2.gz WVIDJEODZTVTBL-AGIUHOORSA-N 1 2 294.420 2.758 10 0 CFAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ncc(C)s1 ZINC000245546916 383005753 /nfs/dbraw/zinc/00/57/53/383005753.db2.gz WVIDJEODZTVTBL-AGIUHOORSA-N 1 2 294.420 2.758 10 0 CFAELO C[C@@H]1CCCN(c2cc(N[C@H]3CCCOCC3)[nH+]cn2)C1 ZINC000245875892 383043260 /nfs/dbraw/zinc/04/32/60/383043260.db2.gz KDZRPDSCUMODOF-KGLIPLIRSA-N 1 2 290.411 2.694 10 0 CFAELO C[C@@H]1CCCN(c2cc(N[C@H]3CCCOCC3)nc[nH+]2)C1 ZINC000245875892 383043262 /nfs/dbraw/zinc/04/32/62/383043262.db2.gz KDZRPDSCUMODOF-KGLIPLIRSA-N 1 2 290.411 2.694 10 0 CFAELO CCCCc1nc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)no1 ZINC000247980382 383205330 /nfs/dbraw/zinc/20/53/30/383205330.db2.gz IHQFCIXEFFJJRQ-BBRMVZONSA-N 1 2 293.411 2.539 10 0 CFAELO CCCCc1nc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)no1 ZINC000247980382 383205332 /nfs/dbraw/zinc/20/53/32/383205332.db2.gz IHQFCIXEFFJJRQ-BBRMVZONSA-N 1 2 293.411 2.539 10 0 CFAELO CC[C@@](C)(O)C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000249423307 383344570 /nfs/dbraw/zinc/34/45/70/383344570.db2.gz XNNWEBLBOAZGIO-HUUCEWRRSA-N 1 2 283.799 2.874 10 0 CFAELO CC[C@@](C)(O)C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000249423307 383344574 /nfs/dbraw/zinc/34/45/74/383344574.db2.gz XNNWEBLBOAZGIO-HUUCEWRRSA-N 1 2 283.799 2.874 10 0 CFAELO O=C(NCc1csc2ccccc12)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262907648 383643607 /nfs/dbraw/zinc/64/36/07/383643607.db2.gz FHNDVPSIMNXXQF-NSHDSACASA-N 1 2 296.342 2.515 10 0 CFAELO CC(C)c1nc([C@@H]2CCCN2c2cccc[nH+]2)no1 ZINC000277193971 384227447 /nfs/dbraw/zinc/22/74/47/384227447.db2.gz ICYCEJSLSWNINJ-NSHDSACASA-N 1 2 258.325 2.930 10 0 CFAELO c1cn(C[C@H]2CCCN2c2ncnc3sccc32)c[nH+]1 ZINC000267363927 384368319 /nfs/dbraw/zinc/36/83/19/384368319.db2.gz IQIYZVHCFIXPGL-LLVKDONJSA-N 1 2 285.376 2.557 10 0 CFAELO CC(C)Cc1nsc(N2CCC[C@@H]2Cn2cc[nH+]c2)n1 ZINC000274704590 385853527 /nfs/dbraw/zinc/85/35/27/385853527.db2.gz RJTOIAOKTSGWEI-GFCCVEGCSA-N 1 2 291.424 2.602 10 0 CFAELO Cn1c2c([nH+]c1[C@@H]1CCCN1Cc1ccon1)CCCC2 ZINC000275901703 385980294 /nfs/dbraw/zinc/98/02/94/385980294.db2.gz IOUHSSZAFDVCGX-HNNXBMFYSA-N 1 2 286.379 2.624 10 0 CFAELO Cc1ccc(NC(=O)N2CCc3c([nH+]cn3C)C2)c(C)c1 ZINC000681766372 542488693 /nfs/dbraw/zinc/48/86/93/542488693.db2.gz TXGKJFSRZZVUTI-UHFFFAOYSA-N 1 2 284.363 2.627 10 0 CFAELO C[C@@H]1CC[C@@H](CC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000133613833 413045086 /nfs/dbraw/zinc/04/50/86/413045086.db2.gz UEAWNJLSSHPIJL-RBSFLKMASA-N 1 2 275.396 2.700 10 0 CFAELO Cc1cc[nH+]c(N[C@H]2CCO[C@@H]2C)c1Br ZINC000235602039 130951720 /nfs/dbraw/zinc/95/17/20/130951720.db2.gz RARSMQYVVGCCBD-BDAKNGLRSA-N 1 2 271.158 2.742 10 0 CFAELO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1nnc(C)n1CC ZINC000185787755 393536407 /nfs/dbraw/zinc/53/64/07/393536407.db2.gz CPGICBFBERZSPO-MRXNPFEDSA-N 1 2 284.407 2.943 10 0 CFAELO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1nnc(C)n1CC ZINC000185787755 393536410 /nfs/dbraw/zinc/53/64/10/393536410.db2.gz CPGICBFBERZSPO-MRXNPFEDSA-N 1 2 284.407 2.943 10 0 CFAELO CCn1c(C)nnc1C[N@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000195054791 393729975 /nfs/dbraw/zinc/72/99/75/393729975.db2.gz NDVZPCPRKFLRJV-LBPRGKRZSA-N 1 2 288.395 2.808 10 0 CFAELO CCn1c(C)nnc1C[N@@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000195054791 393729977 /nfs/dbraw/zinc/72/99/77/393729977.db2.gz NDVZPCPRKFLRJV-LBPRGKRZSA-N 1 2 288.395 2.808 10 0 CFAELO CCc1ccc([C@@H](C)[NH2+]Cc2nc(CCOC)no2)cc1 ZINC000103465154 393856852 /nfs/dbraw/zinc/85/68/52/393856852.db2.gz GAZROUSIXPLKCN-GFCCVEGCSA-N 1 2 289.379 2.672 10 0 CFAELO COc1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1OC ZINC000126864355 394037364 /nfs/dbraw/zinc/03/73/64/394037364.db2.gz BVTXOZUCDLANGN-QWRGUYRKSA-N 1 2 299.798 2.966 10 0 CFAELO COc1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1OC ZINC000126864596 394036853 /nfs/dbraw/zinc/03/68/53/394036853.db2.gz BVTXOZUCDLANGN-GHMZBOCLSA-N 1 2 299.798 2.966 10 0 CFAELO C[C@@H]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)c2ccccc21 ZINC000132836022 394164509 /nfs/dbraw/zinc/16/45/09/394164509.db2.gz SITVQHHMUKSCKP-CJNGLKHVSA-N 1 2 298.390 2.821 10 0 CFAELO C[C@@H]1CC[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)O1 ZINC000133917035 394184682 /nfs/dbraw/zinc/18/46/82/394184682.db2.gz DNJWUJUYIKKSDB-YGRLFVJLSA-N 1 2 289.310 2.517 10 0 CFAELO COC(=O)C1(NCc2[nH+]ccn2C(C)C)CCCCCC1 ZINC000154775125 394301463 /nfs/dbraw/zinc/30/14/63/394301463.db2.gz HLZQDUHXJAOMAO-UHFFFAOYSA-N 1 2 293.411 2.820 10 0 CFAELO Cc1ccc(C(N)=S)c(N2C[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000043396452 134900240 /nfs/dbraw/zinc/90/02/40/134900240.db2.gz NFHHPCBJEDWDNF-AOOOYVTPSA-N 1 2 263.410 2.507 10 0 CFAELO CCC[C@H]([NH2+][C@H](COC)C(C)C)C(=O)OC(C)(C)C ZINC000157476224 394345897 /nfs/dbraw/zinc/34/58/97/394345897.db2.gz PVHWDDZQXHYXCR-QWHCGFSZSA-N 1 2 273.417 2.757 10 0 CFAELO CCn1c(C)nnc1C[N@@H+]1CCc2ccccc2[C@H]1C ZINC000170955633 394371845 /nfs/dbraw/zinc/37/18/45/394371845.db2.gz KWKCXBKJAQQSKY-GFCCVEGCSA-N 1 2 270.380 2.726 10 0 CFAELO CCn1c(C)nnc1C[N@H+]1CCc2ccccc2[C@H]1C ZINC000170955633 394371847 /nfs/dbraw/zinc/37/18/47/394371847.db2.gz KWKCXBKJAQQSKY-GFCCVEGCSA-N 1 2 270.380 2.726 10 0 CFAELO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)COCc1ccccc1 ZINC000180654499 543015583 /nfs/dbraw/zinc/01/55/83/543015583.db2.gz KRICXBZDICQQTD-QWHCGFSZSA-N 1 2 273.380 2.974 10 0 CFAELO COc1cccc2c1cc[nH+]c2N[C@@H]1CCC[C@H](O)C1 ZINC000649246336 395460186 /nfs/dbraw/zinc/46/01/86/395460186.db2.gz HKZKCWGNQOTEDN-NEPJUHHUSA-N 1 2 272.348 2.959 10 0 CFAELO CCc1ccc([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000188823181 543064608 /nfs/dbraw/zinc/06/46/08/543064608.db2.gz TYWSTOLAEQGCPA-GFCCVEGCSA-N 1 2 271.364 2.782 10 0 CFAELO CCc1ccc([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000188823181 543064610 /nfs/dbraw/zinc/06/46/10/543064610.db2.gz TYWSTOLAEQGCPA-GFCCVEGCSA-N 1 2 271.364 2.782 10 0 CFAELO Cc1nc(C)c(C[NH2+][C@@H](C)c2csc(C)n2)o1 ZINC000382340679 543095621 /nfs/dbraw/zinc/09/56/21/543095621.db2.gz BJWWSVNWKBXJLL-ZETCQYMHSA-N 1 2 251.355 2.907 10 0 CFAELO CC(C)c1nccc(N2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000110416026 397598978 /nfs/dbraw/zinc/59/89/78/397598978.db2.gz MLKSDBKKDINIAD-CQSZACIVSA-N 1 2 297.406 2.933 10 0 CFAELO Cc1ccc2c(C[NH+]3[C@@H](C)COC[C@@H]3C)cc(=O)oc2c1 ZINC000077369005 292303288 /nfs/dbraw/zinc/30/32/88/292303288.db2.gz BFLCSPVEIPELPK-STQMWFEESA-N 1 2 287.359 2.711 10 0 CFAELO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000367596362 156357937 /nfs/dbraw/zinc/35/79/37/156357937.db2.gz PEQYPEALPHBRQI-CZUORRHYSA-N 1 2 285.391 2.982 10 0 CFAELO Cc1nc(C[NH2+][C@@H]2CCOc3ccccc32)[nH]c1C ZINC000657289234 413400931 /nfs/dbraw/zinc/40/09/31/413400931.db2.gz IJFWLURKLDSMFZ-CYBMUJFWSA-N 1 2 257.337 2.640 10 0 CFAELO Cc1[nH]c(CN[C@@H]2CCOc3ccccc32)[nH+]c1C ZINC000657289234 413400935 /nfs/dbraw/zinc/40/09/35/413400935.db2.gz IJFWLURKLDSMFZ-CYBMUJFWSA-N 1 2 257.337 2.640 10 0 CFAELO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc(F)c1F ZINC000183279367 287068670 /nfs/dbraw/zinc/06/86/70/287068670.db2.gz LHVOLCQAJLULLD-SKDRFNHKSA-N 1 2 278.306 2.742 10 0 CFAELO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2nnc3ccccn32)o1 ZINC000020185366 171048907 /nfs/dbraw/zinc/04/89/07/171048907.db2.gz NAXZORTVXWHOFN-WCQYABFASA-N 1 2 282.347 2.736 10 0 CFAELO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)n1)c1ccco1 ZINC000035137084 172003895 /nfs/dbraw/zinc/00/38/95/172003895.db2.gz ZOQXAVVKQMHQGS-LBPRGKRZSA-N 1 2 268.320 2.711 10 0 CFAELO COC(=O)c1occc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000035230424 172070807 /nfs/dbraw/zinc/07/08/07/172070807.db2.gz TTXOSKGLQXNDAK-ZDUSSCGKSA-N 1 2 287.315 2.680 10 0 CFAELO Cn1ccnc1C[NH2+]Cc1ccc(F)cc1Cl ZINC000035807688 172421824 /nfs/dbraw/zinc/42/18/24/172421824.db2.gz SJCNECVBDPFVCA-UHFFFAOYSA-N 1 2 253.708 2.502 10 0 CFAELO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)C(C)C ZINC000036883516 172779866 /nfs/dbraw/zinc/77/98/66/172779866.db2.gz VAHXRFGOBDLBIE-GFCCVEGCSA-N 1 2 273.380 2.759 10 0 CFAELO Cc1ccc2[nH+]c(CSc3ccc(N)cn3)cn2c1 ZINC000037191438 173020531 /nfs/dbraw/zinc/02/05/31/173020531.db2.gz ALHSWOXAAUKZNW-UHFFFAOYSA-N 1 2 270.361 2.912 10 0 CFAELO CC[C@H](C(=O)c1ccccc1)[N@@H+]1CCOC(C)(C)C1 ZINC000037339869 173141185 /nfs/dbraw/zinc/14/11/85/173141185.db2.gz QYOXJWZAIXXXGD-CQSZACIVSA-N 1 2 261.365 2.759 10 0 CFAELO CC[C@H](C(=O)c1ccccc1)[N@H+]1CCOC(C)(C)C1 ZINC000037339869 173141187 /nfs/dbraw/zinc/14/11/87/173141187.db2.gz QYOXJWZAIXXXGD-CQSZACIVSA-N 1 2 261.365 2.759 10 0 CFAELO COC(=O)[C@@H]([NH2+]C1CC(c2ccccc2)C1)C(C)C ZINC000037409727 173185848 /nfs/dbraw/zinc/18/58/48/173185848.db2.gz AHGDLPQMQXQFNI-NRXISQOPSA-N 1 2 261.365 2.720 10 0 CFAELO CCOC(=O)[C@@]1([NH2+]C2CC2)C[C@@H](C)CC(C)(C)C1 ZINC000037514372 173245927 /nfs/dbraw/zinc/24/59/27/173245927.db2.gz BFAFIMUWEZLXRU-XHDPSFHLSA-N 1 2 253.386 2.887 10 0 CFAELO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1cc(Cl)sc1Cl ZINC000658053703 414133402 /nfs/dbraw/zinc/13/34/02/414133402.db2.gz MNLKORUXNIJCDO-IYSWYEEDSA-N 1 2 279.192 2.594 10 0 CFAELO CCOC(=O)C[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000037563887 173511793 /nfs/dbraw/zinc/51/17/93/173511793.db2.gz QACCBOMGTZEMTG-CYBMUJFWSA-N 1 2 263.381 2.896 10 0 CFAELO C[C@@H]1[C@@H](C(F)(F)F)OCC[N@@H+]1Cc1ccccc1 ZINC000661889895 414298103 /nfs/dbraw/zinc/29/81/03/414298103.db2.gz RLHJUXPWRQESEF-PWSUYJOCSA-N 1 2 259.271 2.838 10 0 CFAELO C[C@@H]1[C@@H](C(F)(F)F)OCC[N@H+]1Cc1ccccc1 ZINC000661889895 414298109 /nfs/dbraw/zinc/29/81/09/414298109.db2.gz RLHJUXPWRQESEF-PWSUYJOCSA-N 1 2 259.271 2.838 10 0 CFAELO COC(=O)[C@@]1([NH2+]CC(C)C)CCCc2ccccc21 ZINC000037965864 173911132 /nfs/dbraw/zinc/91/11/32/173911132.db2.gz CLBQZKKDGMWSME-MRXNPFEDSA-N 1 2 261.365 2.637 10 0 CFAELO CCOC(=O)[C@](CC)([NH2+]CC1CC1)c1ccc(O)cc1 ZINC000037968013 173915070 /nfs/dbraw/zinc/91/50/70/173915070.db2.gz XHBFCYDTDHBKMU-MRXNPFEDSA-N 1 2 277.364 2.560 10 0 CFAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)NCc1ccco1 ZINC000040295522 174224028 /nfs/dbraw/zinc/22/40/28/174224028.db2.gz JFGWMLFMNHPSSQ-UHFFFAOYSA-N 1 2 297.358 2.871 10 0 CFAELO CCCc1[nH+]c2ccccc2n1CC(=O)NCC(C)C ZINC000040295698 174224061 /nfs/dbraw/zinc/22/40/61/174224061.db2.gz UAKBVQCESPMXDX-UHFFFAOYSA-N 1 2 273.380 2.761 10 0 CFAELO COC(=O)[C@H]([NH2+]CC(C)C)c1cccc(OC(C)C)c1 ZINC000040666674 174366509 /nfs/dbraw/zinc/36/65/09/174366509.db2.gz NYLORPVRNULJSJ-OAHLLOKOSA-N 1 2 279.380 2.934 10 0 CFAELO CCN(c1ccccc1)c1nc[nH+]c(N2CCCC2)c1N ZINC000040679474 174374837 /nfs/dbraw/zinc/37/48/37/174374837.db2.gz SYVZJZGJFCTJJQ-UHFFFAOYSA-N 1 2 283.379 2.817 10 0 CFAELO Cc1cc(C)cc(Oc2ncnc(-n3cc[nH+]c3)c2N)c1 ZINC000040681669 174375518 /nfs/dbraw/zinc/37/55/18/174375518.db2.gz AJALUHJIUGAZBB-UHFFFAOYSA-N 1 2 281.319 2.654 10 0 CFAELO CC(=O)c1cccc(Nc2[nH+]cnc(N3CCCC3)c2N)c1 ZINC000040705180 174379447 /nfs/dbraw/zinc/37/94/47/174379447.db2.gz FGAFRFYKNAWEKM-UHFFFAOYSA-N 1 2 297.362 2.605 10 0 CFAELO CC(=O)c1cccc(Nc2nc[nH+]c(N3CCCC3)c2N)c1 ZINC000040705180 174379448 /nfs/dbraw/zinc/37/94/48/174379448.db2.gz FGAFRFYKNAWEKM-UHFFFAOYSA-N 1 2 297.362 2.605 10 0 CFAELO CCCCNc1[nH+]cnc(-n2cnc3ccccc32)c1N ZINC000040706783 174379837 /nfs/dbraw/zinc/37/98/37/174379837.db2.gz YICDWJFNHMKCRK-UHFFFAOYSA-N 1 2 282.351 2.610 10 0 CFAELO CCNc1[nH+]cnc(Nc2cc(F)ccc2F)c1N ZINC000040707523 174380032 /nfs/dbraw/zinc/38/00/32/174380032.db2.gz GAOUCTZZIPXOJU-UHFFFAOYSA-N 1 2 265.267 2.512 10 0 CFAELO CC(C)CN(CC(C)C)c1[nH+]cnc(NC(C)C)c1N ZINC000040708063 174380204 /nfs/dbraw/zinc/38/02/04/174380204.db2.gz XWLGLAGSVDXKAX-UHFFFAOYSA-N 1 2 279.432 2.998 10 0 CFAELO Cc1ccccc1Nc1[nH+]cnc(NC(C)C)c1N ZINC000040708163 174380480 /nfs/dbraw/zinc/38/04/80/174380480.db2.gz QZIWLYNIVRRYQK-UHFFFAOYSA-N 1 2 257.341 2.931 10 0 CFAELO CCN(CC)c1nc[nH+]c(Nc2ccc(C)cc2)c1N ZINC000040723230 174385605 /nfs/dbraw/zinc/38/56/05/174385605.db2.gz DNVRZTXAGRPNEC-UHFFFAOYSA-N 1 2 271.368 2.957 10 0 CFAELO Cc1cc(N(Cc2cccc(N)c2)C(C)C)nc[nH+]1 ZINC000040727582 174387961 /nfs/dbraw/zinc/38/79/61/174387961.db2.gz PHMXIXXGFVXIBV-UHFFFAOYSA-N 1 2 256.353 2.782 10 0 CFAELO Cc1ccc(C(N)=S)c(N[C@@H](C)c2ccncc2)[nH+]1 ZINC000043396654 175036273 /nfs/dbraw/zinc/03/62/73/175036273.db2.gz NFDYRKSCWNJCIQ-JTQLQIEISA-N 1 2 272.377 2.592 10 0 CFAELO CC1(C)C[C@H](O)c2ccc(OCCn3cc[nH+]c3)cc2O1 ZINC000043460740 175051783 /nfs/dbraw/zinc/05/17/83/175051783.db2.gz RSHCCOATQGBVRD-AWEZNQCLSA-N 1 2 288.347 2.557 10 0 CFAELO CC[C@H](C)[C@H]([NH2+]Cc1ccc(O)c(Cl)c1)C(=O)OC ZINC000043479440 175055340 /nfs/dbraw/zinc/05/53/40/175055340.db2.gz 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WLBCYGHHNSSUKP-CQSZACIVSA-N 1 2 288.420 2.998 10 0 CFAELO Cc1ccc(C(N)=S)c(N[C@@H]2C[C@@H]2c2ccccc2)[nH+]1 ZINC000044660479 175226165 /nfs/dbraw/zinc/22/61/65/175226165.db2.gz IXQDXNYWSCYOKU-ZIAGYGMSSA-N 1 2 283.400 2.992 10 0 CFAELO COc1ccc([C@H](C)[NH2+]Cc2cc(C)on2)c(F)c1 ZINC000044692954 175233998 /nfs/dbraw/zinc/23/39/98/175233998.db2.gz LTEQZBGBYNCGSK-JTQLQIEISA-N 1 2 264.300 2.982 10 0 CFAELO Nc1ccc2[nH+]c(NC[C@@H]3CCCOC3)ccc2c1 ZINC000044981883 175283490 /nfs/dbraw/zinc/28/34/90/175283490.db2.gz CVSDQJPZWAWHHD-NSHDSACASA-N 1 2 257.337 2.656 10 0 CFAELO Cc1nn(C)c(C)c1[C@@H](C)Nc1ccc(N(C)C)[nH+]c1 ZINC000045170419 175320604 /nfs/dbraw/zinc/32/06/04/175320604.db2.gz SZIVXQPHNYPALT-SNVBAGLBSA-N 1 2 273.384 2.671 10 0 CFAELO Cc1nc(C[NH2+][C@H](C)c2c(C)nn(C)c2C)cs1 ZINC000045172231 175321636 /nfs/dbraw/zinc/32/16/36/175321636.db2.gz SKISSVUMMXKVEK-MRVPVSSYSA-N 1 2 264.398 2.653 10 0 CFAELO CCC[NH2+][C@@](C)(CN(CC)c1ccccc1C)C(=O)OC ZINC000045223011 175331437 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CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2ccc(F)c(F)c2)C1 ZINC000071652497 176241540 /nfs/dbraw/zinc/24/15/40/176241540.db2.gz QBNNRKZKLMCXLQ-ZDUSSCGKSA-N 1 2 298.333 2.846 10 0 CFAELO CN(C)c1ccc([N@H+](C)CCc2ccncc2)cc1 ZINC000071711391 176248649 /nfs/dbraw/zinc/24/86/49/176248649.db2.gz CXIFOHXYBBPPPE-UHFFFAOYSA-N 1 2 255.365 2.827 10 0 CFAELO CN(C)c1ccc([N@@H+](C)CCc2ccncc2)cc1 ZINC000071711391 176248651 /nfs/dbraw/zinc/24/86/51/176248651.db2.gz CXIFOHXYBBPPPE-UHFFFAOYSA-N 1 2 255.365 2.827 10 0 CFAELO CN(CCc1ccncc1)c1ccc([NH+](C)C)cc1 ZINC000071711391 176248652 /nfs/dbraw/zinc/24/86/52/176248652.db2.gz CXIFOHXYBBPPPE-UHFFFAOYSA-N 1 2 255.365 2.827 10 0 CFAELO Cc1cc(NC(=O)c2cc3c(cc2C)OCCO3)cc[nH+]1 ZINC000074952957 176640457 /nfs/dbraw/zinc/64/04/57/176640457.db2.gz GWUBYWZZGQDSRI-UHFFFAOYSA-N 1 2 284.315 2.722 10 0 CFAELO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000391822380 270305736 /nfs/dbraw/zinc/30/57/36/270305736.db2.gz UMHYRTYEASMYBY-QWHCGFSZSA-N 1 2 258.369 2.844 10 0 CFAELO 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CFAELO Cc1cc(N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)ncn1 ZINC000328623464 301338655 /nfs/dbraw/zinc/33/86/55/301338655.db2.gz JEWAHTSNUTWUGV-HNNXBMFYSA-N 1 2 297.406 2.739 10 0 CFAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCCc2occc21 ZINC000193016183 302675536 /nfs/dbraw/zinc/67/55/36/302675536.db2.gz YGRNIHPUVLQUTQ-STQMWFEESA-N 1 2 272.352 2.682 10 0 CFAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCc2occc21 ZINC000193016157 302675731 /nfs/dbraw/zinc/67/57/31/302675731.db2.gz YGRNIHPUVLQUTQ-OLZOCXBDSA-N 1 2 272.352 2.682 10 0 CFAELO CC(C)n1cc[nH+]c1C[S@](=O)CC1CCCC1 ZINC000183436902 323917878 /nfs/dbraw/zinc/91/78/78/323917878.db2.gz MTZRTMOBFSUBJE-QGZVFWFLSA-N 1 2 254.399 2.903 10 0 CFAELO CC(C)[C@@H](C[NH+](C)C)n1c(=O)c2ccsc2[nH]c1=S ZINC000049222281 519794034 /nfs/dbraw/zinc/79/40/34/519794034.db2.gz YNGMUDQUMHFIKL-SNVBAGLBSA-N 1 2 297.449 2.879 10 0 CFAELO CCC[NH2+][C@](C)(CSCC(C)C)C(=O)OCC ZINC000045547624 520109106 /nfs/dbraw/zinc/10/91/06/520109106.db2.gz PVWBKNAFDIXCNO-CYBMUJFWSA-N 1 2 261.431 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CCCNc1snnc1C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000050814443 520205081 /nfs/dbraw/zinc/20/50/81/520205081.db2.gz DUYPHEAYMRBFQH-QWRGUYRKSA-N 1 2 268.430 2.980 10 0 CFAELO CCCNc1snnc1C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000050814443 520205088 /nfs/dbraw/zinc/20/50/88/520205088.db2.gz DUYPHEAYMRBFQH-QWRGUYRKSA-N 1 2 268.430 2.980 10 0 CFAELO CC[NH2+][C@](C)(CCSC(C)(C)C)C(=O)OCC ZINC000045554144 520232252 /nfs/dbraw/zinc/23/22/52/520232252.db2.gz URSCEJTTYOHIBL-CYBMUJFWSA-N 1 2 261.431 2.840 10 0 CFAELO CCNc1nc2ccccc2cc1C[N@@H+]1CCO[C@H](C)C1 ZINC000050792542 520360307 /nfs/dbraw/zinc/36/03/07/520360307.db2.gz APKTWYXVUBWOBU-CYBMUJFWSA-N 1 2 285.391 2.887 10 0 CFAELO CCNc1nc2ccccc2cc1C[N@H+]1CCO[C@H](C)C1 ZINC000050792542 520360311 /nfs/dbraw/zinc/36/03/11/520360311.db2.gz APKTWYXVUBWOBU-CYBMUJFWSA-N 1 2 285.391 2.887 10 0 CFAELO CCOC(=O)CCC[N@@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000171037230 520641098 /nfs/dbraw/zinc/64/10/98/520641098.db2.gz KTRGHTVZKJNZSU-LBPRGKRZSA-N 1 2 295.383 2.673 10 0 CFAELO CCOC(=O)CCC[N@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000171037230 520641109 /nfs/dbraw/zinc/64/11/09/520641109.db2.gz KTRGHTVZKJNZSU-LBPRGKRZSA-N 1 2 295.383 2.673 10 0 CFAELO CCC[C@@H]([NH2+][C@@H](CC)COC)C(=O)OC(C)(C)C ZINC000157503207 520789320 /nfs/dbraw/zinc/78/93/20/520789320.db2.gz UKRGCYLZBDPMIV-NWDGAFQWSA-N 1 2 259.390 2.511 10 0 CFAELO CCOC(=O)[C@@](C)(CCN(C)c1ccc(C)cc1C)[NH2+]C ZINC000049989902 521144832 /nfs/dbraw/zinc/14/48/32/521144832.db2.gz BIOMCTJPTWGHMH-QGZVFWFLSA-N 1 2 292.423 2.671 10 0 CFAELO CCCCc1noc([C@H](C)[N@@H+]2CCS[C@@H](C)C2)n1 ZINC000246186694 521348848 /nfs/dbraw/zinc/34/88/48/521348848.db2.gz VRIOTBVHASCZBO-QWRGUYRKSA-N 1 2 269.414 2.911 10 0 CFAELO CCCCc1noc([C@H](C)[N@H+]2CCS[C@@H](C)C2)n1 ZINC000246186694 521348853 /nfs/dbraw/zinc/34/88/53/521348853.db2.gz VRIOTBVHASCZBO-QWRGUYRKSA-N 1 2 269.414 2.911 10 0 CFAELO CCCc1cc(NCCCCCC(=O)OC)nc[nH+]1 ZINC000050069563 521379683 /nfs/dbraw/zinc/37/96/83/521379683.db2.gz CRBWVDVLASCHBR-UHFFFAOYSA-N 1 2 265.357 2.574 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COC(=O)[C@@H](CSc1ccc2c(c1)CCC2)[NH2+]C(C)C ZINC000045590271 523592661 /nfs/dbraw/zinc/59/26/61/523592661.db2.gz GNNXHNAUZFJLBD-OAHLLOKOSA-N 1 2 293.432 2.807 10 0 CFAELO CCc1cc(N)nc(-c2cc(Cl)c3c(c2)OCCO3)[nH+]1 ZINC000050866918 523789650 /nfs/dbraw/zinc/78/96/50/523789650.db2.gz ZLVPQHFYITWTQX-UHFFFAOYSA-N 1 2 291.738 2.713 10 0 CFAELO CCc1cc(NC)nc(Cc2ccc(OC)cc2)[nH+]1 ZINC000050851012 523819783 /nfs/dbraw/zinc/81/97/83/523819783.db2.gz WBXAMDDEVCRFTR-UHFFFAOYSA-N 1 2 257.337 2.680 10 0 CFAELO CCc1ccc(C[N@H+](Cc2nnnn2C(C)C)C2CC2)cc1 ZINC000195075027 523922546 /nfs/dbraw/zinc/92/25/46/523922546.db2.gz WDTISBUSKSQAAO-UHFFFAOYSA-N 1 2 299.422 2.981 10 0 CFAELO CCc1ccc(C[N@@H+](Cc2nnnn2C(C)C)C2CC2)cc1 ZINC000195075027 523922555 /nfs/dbraw/zinc/92/25/55/523922555.db2.gz WDTISBUSKSQAAO-UHFFFAOYSA-N 1 2 299.422 2.981 10 0 CFAELO COCCOc1cc(C)ccc1[NH2+]CC1CCOCC1 ZINC000052178533 524039978 /nfs/dbraw/zinc/03/99/78/524039978.db2.gz DVJGKOBPOPUKEE-UHFFFAOYSA-N 1 2 279.380 2.859 10 0 CFAELO COc1ccc(Cc2nc(N)cc(C(C)(C)C)[nH+]2)cc1 ZINC000050846061 524163754 /nfs/dbraw/zinc/16/37/54/524163754.db2.gz QVHCAZGXILSBPF-UHFFFAOYSA-N 1 2 271.364 2.956 10 0 CFAELO C[C@H](C[NH+]1CCOCC1)Nc1nc2cc(F)ccc2s1 ZINC000049510341 524359114 /nfs/dbraw/zinc/35/91/14/524359114.db2.gz HZUORUMCERKBGX-SNVBAGLBSA-N 1 2 295.383 2.568 10 0 CFAELO Cc1cccc(NC(=O)C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000195506953 524592770 /nfs/dbraw/zinc/59/27/70/524592770.db2.gz NAKVMJNGDDHBKL-UHFFFAOYSA-N 1 2 298.390 2.536 10 0 CFAELO C[C@H](Cn1cc[nH+]c1)Nc1ccc(N)c2ncccc12 ZINC000049234773 524793308 /nfs/dbraw/zinc/79/33/08/524793308.db2.gz HHTFCAVIWBYHJO-LLVKDONJSA-N 1 2 267.336 2.514 10 0 CFAELO C[C@H](N(C)c1cc[nH+]c(C(N)=S)c1)C(C)(C)C ZINC000061813148 524818296 /nfs/dbraw/zinc/81/82/96/524818296.db2.gz ZRVUORFKPFTSAJ-VIFPVBQESA-N 1 2 251.399 2.587 10 0 CFAELO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1csc(C(C)(C)C)n1 ZINC000336236540 525111688 /nfs/dbraw/zinc/11/16/88/525111688.db2.gz XYEYTFKHBYFNRM-CMPLNLGQSA-N 1 2 268.426 2.786 10 0 CFAELO C[C@H]1[C@H](O)CCC[N@H+]1Cc1csc(C(C)(C)C)n1 ZINC000336236540 525111700 /nfs/dbraw/zinc/11/17/00/525111700.db2.gz XYEYTFKHBYFNRM-CMPLNLGQSA-N 1 2 268.426 2.786 10 0 CFAELO COc1ccc2cc(COC3CCOCC3)c(N)[nH+]c2c1 ZINC000050833450 525633421 /nfs/dbraw/zinc/63/34/21/525633421.db2.gz JUOOGTQFIHZWSK-UHFFFAOYSA-N 1 2 288.347 2.521 10 0 CFAELO CSC[C@H](C)Cn1c(C)c(C)c2c1nc(C)[nH+]c2N ZINC000069449418 525684423 /nfs/dbraw/zinc/68/44/23/525684423.db2.gz IDQMQVAJKBGBND-MRVPVSSYSA-N 1 2 278.425 2.938 10 0 CFAELO C[C@H](c1cccs1)N(C)c1cc[nH+]c(C(N)=S)c1 ZINC000061813027 526156159 /nfs/dbraw/zinc/15/61/59/526156159.db2.gz LUSXVBHKIOTSPO-SECBINFHSA-N 1 2 277.418 2.975 10 0 CFAELO Cc1cc(C(=O)C[NH+]2Cc3ccccc3C2)c(C)n1C ZINC000050911659 526208795 /nfs/dbraw/zinc/20/87/95/526208795.db2.gz FNAZWZGKNUTHOF-UHFFFAOYSA-N 1 2 268.360 2.840 10 0 CFAELO Cc1[nH+]c(-c2cc(Cl)c3c(c2)OCCO3)nc(N)c1C ZINC000050867484 526560422 /nfs/dbraw/zinc/56/04/22/526560422.db2.gz JGBZJFQSGQSVLH-UHFFFAOYSA-N 1 2 291.738 2.767 10 0 CFAELO Cc1[nH+]c(-c2ccc(SC(F)(F)F)cc2)c(N)n1N ZINC000052838380 526578260 /nfs/dbraw/zinc/57/82/60/526578260.db2.gz LKWQCGKDXWHPDY-UHFFFAOYSA-N 1 2 288.298 2.766 10 0 CFAELO Cc1nc(C)c([C@H](C)Nc2cc(C(N)=S)cc[nH+]2)s1 ZINC000049534718 526756439 /nfs/dbraw/zinc/75/64/39/526756439.db2.gz ATUHFXWAXWKTLB-QMMMGPOBSA-N 1 2 292.433 2.962 10 0 CFAELO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(N)c1 ZINC000048912006 526825092 /nfs/dbraw/zinc/82/50/92/526825092.db2.gz KWZIPWRDHQODJF-LLVKDONJSA-N 1 2 287.363 2.629 10 0 CFAELO Cc1occc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc(N)c1 ZINC000048912006 526825098 /nfs/dbraw/zinc/82/50/98/526825098.db2.gz KWZIPWRDHQODJF-LLVKDONJSA-N 1 2 287.363 2.629 10 0 CFAELO Cc1nc(C[NH2+]Cc2ccc(F)c(F)c2)oc1C ZINC000049577803 526889120 /nfs/dbraw/zinc/88/91/20/526889120.db2.gz MBYPNHAVGDISHA-UHFFFAOYSA-N 1 2 252.264 2.859 10 0 CFAELO NC(=S)c1cc(N[C@@H]2CCOc3ccccc32)cc[nH+]1 ZINC000061813311 527116694 /nfs/dbraw/zinc/11/66/94/527116694.db2.gz COZAKOFGOZHFEV-GFCCVEGCSA-N 1 2 285.372 2.652 10 0 CFAELO [NH3+][C@@H](c1nc(Cc2cccs2)no1)c1ccccc1 ZINC000052899697 527340124 /nfs/dbraw/zinc/34/01/24/527340124.db2.gz NAZQSYNPQZWDOZ-CYBMUJFWSA-N 1 2 271.345 2.770 10 0 CFAELO Nc1nc(-c2cc3c(c(Cl)c2)OCO3)[nH+]c2c1CCC2 ZINC000050866186 527539910 /nfs/dbraw/zinc/53/99/10/527539910.db2.gz JLJHCJJRAYXDRS-UHFFFAOYSA-N 1 2 289.722 2.597 10 0 CFAELO Nc1nc(Cc2cccc(Cl)c2)[nH+]c2c1CCC2 ZINC000050844626 527553106 /nfs/dbraw/zinc/55/31/06/527553106.db2.gz FGACEKAVZQMTOK-UHFFFAOYSA-N 1 2 259.740 2.792 10 0 CFAELO OCc1ccc[nH+]c1N1CC[C@H](c2ccccc2)C1 ZINC000050600497 527637845 /nfs/dbraw/zinc/63/78/45/527637845.db2.gz NKBCTQIBBQKHRT-AWEZNQCLSA-N 1 2 254.333 2.568 10 0 CFAELO CCCc1nc(C[S@](=O)Cc2[nH+]ccn2CC)cs1 ZINC000176836812 528754279 /nfs/dbraw/zinc/75/42/79/528754279.db2.gz NUFHQRMYUOQNJU-IBGZPJMESA-N 1 2 297.449 2.761 10 0 CFAELO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000237224564 536008720 /nfs/dbraw/zinc/00/87/20/536008720.db2.gz SQERQDRKYVREIB-NSHDSACASA-N 1 2 269.352 2.630 10 0 CFAELO Cc1cc[nH+]c(N[C@@H]2CCC[C@@H](O)C2)c1Br ZINC000393751111 574332922 /nfs/dbraw/zinc/33/29/22/574332922.db2.gz RQFUUUPXBJEANB-NXEZZACHSA-N 1 2 285.185 2.868 10 0 CFAELO CCCCCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177339020 618404215 /nfs/dbraw/zinc/40/42/15/618404215.db2.gz MAPSDVHEHJJZIH-CQSZACIVSA-N 1 2 278.400 2.637 10 0 CFAELO CC[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]2c2nc[nH]n2)CCO1 ZINC000895198646 618463974 /nfs/dbraw/zinc/46/39/74/618463974.db2.gz RGGOBABYRSVVAG-MCIONIFRSA-N 1 2 278.400 2.537 10 0 CFAELO CC[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2c2nc[nH]n2)CCO1 ZINC000895198646 618463980 /nfs/dbraw/zinc/46/39/80/618463980.db2.gz RGGOBABYRSVVAG-MCIONIFRSA-N 1 2 278.400 2.537 10 0 CFAELO CC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000111690453 618762530 /nfs/dbraw/zinc/76/25/30/618762530.db2.gz RFVUTOGDTFHZMP-GFCCVEGCSA-N 1 2 294.782 2.580 10 0 CFAELO CC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000111690453 618762533 /nfs/dbraw/zinc/76/25/33/618762533.db2.gz RFVUTOGDTFHZMP-GFCCVEGCSA-N 1 2 294.782 2.580 10 0 CFAELO C[C@@H]([NH3+])c1cc(Br)c(O)c(Br)c1 ZINC000095660035 619164801 /nfs/dbraw/zinc/16/48/01/619164801.db2.gz ZITQCVKNOJISAA-SCSAIBSYSA-N 1 2 294.974 2.937 10 0 CFAELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cnc(N)s2)cs1 ZINC000261878346 619301820 /nfs/dbraw/zinc/30/18/20/619301820.db2.gz QJADVPRXMCMYJE-NSHDSACASA-N 1 2 280.422 2.827 10 0 CFAELO Cc1nc([C@@H]2CCC[N@H+]2Cc2cnc(N)s2)cs1 ZINC000261878346 619301822 /nfs/dbraw/zinc/30/18/22/619301822.db2.gz QJADVPRXMCMYJE-NSHDSACASA-N 1 2 280.422 2.827 10 0 CFAELO C[C@@H]([NH2+]c1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]1C ZINC000322114468 620231101 /nfs/dbraw/zinc/23/11/01/620231101.db2.gz BADPPCOSWDEUGV-XJKCOSOUSA-N 1 2 260.381 2.980 10 0 CFAELO Cc1cc(NC(=O)[C@@H]2CCCO[C@H]2C(C)C)c(C)c[nH+]1 ZINC000886043422 646838686 /nfs/dbraw/zinc/83/86/86/646838686.db2.gz BWMYATPKTWUALJ-HIFRSBDPSA-N 1 2 276.380 2.510 10 0 CFAELO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2cc(F)cc(F)c2)C1 ZINC000095642324 185017389 /nfs/dbraw/zinc/01/73/89/185017389.db2.gz PMCOHINFZQLKMH-CYBMUJFWSA-N 1 2 298.333 2.846 10 0 CFAELO CNC(=O)c1cc(C)ccc1NCc1[nH+]ccn1C(C)C ZINC000124612047 187145255 /nfs/dbraw/zinc/14/52/55/187145255.db2.gz AAOFXOJTYBGNEF-UHFFFAOYSA-N 1 2 286.379 2.744 10 0 CFAELO CCCc1[nH+]ccn1-c1cccc(Br)n1 ZINC000069964297 346904396 /nfs/dbraw/zinc/90/43/96/346904396.db2.gz SGXVEVNNTMUPBF-UHFFFAOYSA-N 1 2 266.142 2.982 10 0 CFAELO CCn1cc[nH+]c1C[S@](=O)[C@H](C)c1ccccc1 ZINC000176843524 529582281 /nfs/dbraw/zinc/58/22/81/529582281.db2.gz PSCFUGOAWJVSON-XIKOKIGWSA-N 1 2 262.378 2.913 10 0 CFAELO Cc1cccc2c1ncnc2N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177949836 232372511 /nfs/dbraw/zinc/37/25/11/232372511.db2.gz NBHDJWKTRLKMTC-CQSZACIVSA-N 1 2 293.374 2.804 10 0 CFAELO c1[nH]cc([C@H]2CC[C@H](COCc3ccccc3)O2)[nH+]1 ZINC000013524106 346232314 /nfs/dbraw/zinc/23/23/14/346232314.db2.gz RETVAMKTDRMQFH-UKRRQHHQSA-N 1 2 258.321 2.847 10 0 CFAELO c1[nH]c([C@H]2CC[C@H](COCc3ccccc3)O2)c[nH+]1 ZINC000013524106 346232317 /nfs/dbraw/zinc/23/23/17/346232317.db2.gz RETVAMKTDRMQFH-UKRRQHHQSA-N 1 2 258.321 2.847 10 0 CFAELO COC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[N@@H+]1[C@@H](C)c1ccccc1 ZINC000038303117 346338147 /nfs/dbraw/zinc/33/81/47/346338147.db2.gz PWUWUKQPSOGOPL-PMOUVXMZSA-N 1 2 257.333 2.550 10 0 CFAELO COC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[N@H+]1[C@@H](C)c1ccccc1 ZINC000038303117 346338151 /nfs/dbraw/zinc/33/81/51/346338151.db2.gz PWUWUKQPSOGOPL-PMOUVXMZSA-N 1 2 257.333 2.550 10 0 CFAELO Cc1cc(N2CCC(c3ccnn3C)CC2)nc(C2CC2)[nH+]1 ZINC000116260595 136533920 /nfs/dbraw/zinc/53/39/20/136533920.db2.gz KNLSWNMUFNHRNG-UHFFFAOYSA-N 1 2 297.406 2.780 10 0 CFAELO Brc1ccccc1NCc1c[nH+]c[nH]1 ZINC000054763270 346576021 /nfs/dbraw/zinc/57/60/21/346576021.db2.gz GYZREVUJRAZPEI-UHFFFAOYSA-N 1 2 252.115 2.784 10 0 CFAELO Brc1ccccc1NCc1c[nH]c[nH+]1 ZINC000054763270 346576023 /nfs/dbraw/zinc/57/60/23/346576023.db2.gz GYZREVUJRAZPEI-UHFFFAOYSA-N 1 2 252.115 2.784 10 0 CFAELO c1cc(C[NH+]2CCC(c3n[nH]c(C4CC4)n3)CC2)co1 ZINC000065287300 346732813 /nfs/dbraw/zinc/73/28/13/346732813.db2.gz PSGJTXWDWLXYQZ-UHFFFAOYSA-N 1 2 272.352 2.655 10 0 CFAELO O=C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](c2ccccc2)CO1 ZINC000115888745 347782833 /nfs/dbraw/zinc/78/28/33/347782833.db2.gz VSOVUKCMPJQFEY-ROUUACIJSA-N 1 2 281.355 2.828 10 0 CFAELO O=C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](c2ccccc2)CO1 ZINC000115888745 347782836 /nfs/dbraw/zinc/78/28/36/347782836.db2.gz VSOVUKCMPJQFEY-ROUUACIJSA-N 1 2 281.355 2.828 10 0 CFAELO CCn1cc[nH+]c1C[S@@](=O)Cc1csc(C2CC2)n1 ZINC000134429866 347897950 /nfs/dbraw/zinc/89/79/50/347897950.db2.gz SGXJDYDCVURKKJ-LJQANCHMSA-N 1 2 295.433 2.686 10 0 CFAELO COc1cc([C@@H](C)[NH2+]CC(F)F)cc(OC)c1OC ZINC000136568677 347910935 /nfs/dbraw/zinc/91/09/35/347910935.db2.gz CELSZLZTKCQXAC-MRVPVSSYSA-N 1 2 275.295 2.628 10 0 CFAELO CC(C)C[C@@H]1[NH2+]C[C@H](c2ccsc2Cl)NC1=O ZINC000146046675 347944551 /nfs/dbraw/zinc/94/45/51/347944551.db2.gz NJIFAEDUDRVUAY-VHSXEESVSA-N 1 2 272.801 2.577 10 0 CFAELO Cc1cc(-c2nc(N)cc(C3CC3)[nH+]2)cc(C)c1O ZINC000103960901 185868864 /nfs/dbraw/zinc/86/88/64/185868864.db2.gz KDETUIJBBDZBDM-UHFFFAOYSA-N 1 2 255.321 2.926 10 0 CFAELO CCn1cc(C[NH2+][C@@H](C(=O)OC)C(C)C)c2ccccc21 ZINC000086806757 179339466 /nfs/dbraw/zinc/33/94/66/179339466.db2.gz LYUNRUGQCBQIPW-MRXNPFEDSA-N 1 2 288.391 2.948 10 0 CFAELO O[C@@H]1OCC[N@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000166656561 348043567 /nfs/dbraw/zinc/04/35/67/348043567.db2.gz LMEFHDJFPPYPBL-IAGOWNOFSA-N 1 2 269.344 2.579 10 0 CFAELO O[C@@H]1OCC[N@@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000166656561 348043571 /nfs/dbraw/zinc/04/35/71/348043571.db2.gz LMEFHDJFPPYPBL-IAGOWNOFSA-N 1 2 269.344 2.579 10 0 CFAELO C[Si](C)(C)CCOCN1CCc2ccc[nH+]c21 ZINC000215646693 348163079 /nfs/dbraw/zinc/16/30/79/348163079.db2.gz LHGYMXYRVWLHMQ-UHFFFAOYSA-N 1 2 250.418 2.756 10 0 CFAELO Brc1ccc2[nH+]c3c(n2c1)CSCC3 ZINC000228008417 348192670 /nfs/dbraw/zinc/19/26/70/348192670.db2.gz WAKOCQHMDCXLHT-UHFFFAOYSA-N 1 2 269.167 2.886 10 0 CFAELO [NH3+][C@H](c1cscn1)c1ccc(Br)o1 ZINC000307028929 348394962 /nfs/dbraw/zinc/39/49/62/348394962.db2.gz BRGIGORRNKJYAX-MRVPVSSYSA-N 1 2 259.128 2.547 10 0 CFAELO C[C@H]1[NH2+]Cc2ccccc2N(CCc2ccsc2)C1=O ZINC000087887402 179511789 /nfs/dbraw/zinc/51/17/89/179511789.db2.gz OLTJGLIXVALCFL-GFCCVEGCSA-N 1 2 286.400 2.816 10 0 CFAELO Nc1c[nH+]c2c(Br)c(Cl)ccc2c1N ZINC000584882429 348725517 /nfs/dbraw/zinc/72/55/17/348725517.db2.gz HAORHWRJKOHDOW-UHFFFAOYSA-N 1 2 272.533 2.815 10 0 CFAELO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1ccon1 ZINC000091366909 539661313 /nfs/dbraw/zinc/66/13/13/539661313.db2.gz OWJQPHOAMHYOTB-LLVKDONJSA-N 1 2 270.336 2.895 10 0 CFAELO CC1(C)CC(Oc2cc[nH+]c(CO)c2)CC(C)(C)O1 ZINC000584629539 348695128 /nfs/dbraw/zinc/69/51/28/348695128.db2.gz YJLQBWRLGAHIQI-UHFFFAOYSA-N 1 2 265.353 2.689 10 0 CFAELO C[NH+](C)CCOC(=S)Nc1cccc(Cl)c1 ZINC000584651474 348702052 /nfs/dbraw/zinc/70/20/52/348702052.db2.gz WJAFIBOZLHSDOL-UHFFFAOYSA-N 1 2 258.774 2.615 10 0 CFAELO Cc1[nH+]cccc1N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000091496066 180171623 /nfs/dbraw/zinc/17/16/23/180171623.db2.gz IBVVIWKXQGJDFF-NSHDSACASA-N 1 2 290.388 2.967 10 0 CFAELO CCCc1nc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cs1 ZINC000105922976 186091120 /nfs/dbraw/zinc/09/11/20/186091120.db2.gz LBQQONHNWQQWRG-ZDUSSCGKSA-N 1 2 291.424 2.524 10 0 CFAELO CCCc1nc(C[N@H+]2CCC[C@H](n3cncn3)C2)cs1 ZINC000105922976 186091121 /nfs/dbraw/zinc/09/11/21/186091121.db2.gz LBQQONHNWQQWRG-ZDUSSCGKSA-N 1 2 291.424 2.524 10 0 CFAELO CC(C)(C)OC(=O)N1CCC[C@H](c2ccc[nH+]c2N)C1 ZINC000616618905 352386206 /nfs/dbraw/zinc/38/62/06/352386206.db2.gz VRNCXTFYEYKBMK-NSHDSACASA-N 1 2 277.368 2.778 10 0 CFAELO CC(C)(C)OC(=O)N1CCC[C@@H](c2c[nH+]c[nH]2)CC1 ZINC000616628520 352390877 /nfs/dbraw/zinc/39/08/77/352390877.db2.gz CCNMYJQJYOWCBU-LLVKDONJSA-N 1 2 265.357 2.914 10 0 CFAELO CC(C)(C)OC(=O)N1CCC[C@@H](c2c[nH]c[nH+]2)CC1 ZINC000616628520 352390881 /nfs/dbraw/zinc/39/08/81/352390881.db2.gz CCNMYJQJYOWCBU-LLVKDONJSA-N 1 2 265.357 2.914 10 0 CFAELO OCc1cccc([C@H]2COCC[N@@H+]2Cc2ccccc2)c1 ZINC000616639798 352395466 /nfs/dbraw/zinc/39/54/66/352395466.db2.gz NEEPUZCCTPHCCY-GOSISDBHSA-N 1 2 283.371 2.752 10 0 CFAELO OCc1cccc([C@H]2COCC[N@H+]2Cc2ccccc2)c1 ZINC000616639798 352395468 /nfs/dbraw/zinc/39/54/68/352395468.db2.gz NEEPUZCCTPHCCY-GOSISDBHSA-N 1 2 283.371 2.752 10 0 CFAELO c1[nH]nnc1[C@H]1c2ccccc2CC[N@H+]1Cc1ccccc1 ZINC000616677327 352409055 /nfs/dbraw/zinc/40/90/55/352409055.db2.gz KOECRVPVAKEDJU-GOSISDBHSA-N 1 2 290.370 2.952 10 0 CFAELO c1[nH]nnc1[C@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1 ZINC000616677327 352409057 /nfs/dbraw/zinc/40/90/57/352409057.db2.gz KOECRVPVAKEDJU-GOSISDBHSA-N 1 2 290.370 2.952 10 0 CFAELO c1n[nH]nc1[C@H]1c2ccccc2CC[N@H+]1Cc1ccccc1 ZINC000616677327 352409060 /nfs/dbraw/zinc/40/90/60/352409060.db2.gz KOECRVPVAKEDJU-GOSISDBHSA-N 1 2 290.370 2.952 10 0 CFAELO c1n[nH]nc1[C@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1 ZINC000616677327 352409064 /nfs/dbraw/zinc/40/90/64/352409064.db2.gz KOECRVPVAKEDJU-GOSISDBHSA-N 1 2 290.370 2.952 10 0 CFAELO CCOC(=O)N1c2ccccc2NC[C@H]1c1ccc[nH+]c1N ZINC000616682199 352410864 /nfs/dbraw/zinc/41/08/64/352410864.db2.gz GHVOXZYLJHACBX-AWEZNQCLSA-N 1 2 298.346 2.794 10 0 CFAELO CC(C)N1C[C@H](c2cc[nH+]c(N)c2)Nc2ccccc21 ZINC000616683980 352411896 /nfs/dbraw/zinc/41/18/96/352411896.db2.gz VQAGCJBWMHGOBW-CQSZACIVSA-N 1 2 268.364 2.876 10 0 CFAELO COc1ccccc1[C@H](C)[NH2+]Cc1nc(C2CC2)no1 ZINC000271625553 191246449 /nfs/dbraw/zinc/24/64/49/191246449.db2.gz FXPQGTFOUMHBTN-JTQLQIEISA-N 1 2 273.336 2.806 10 0 CFAELO C[C@H](NC(=O)C(C)(C)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000158047368 188354873 /nfs/dbraw/zinc/35/48/73/188354873.db2.gz DEKPDKJVBOOMCM-NSHDSACASA-N 1 2 275.327 2.798 10 0 CFAELO C[C@H]1CCSCC[N@@H+]1Cc1cc(Br)no1 ZINC000292675075 198370706 /nfs/dbraw/zinc/37/07/06/198370706.db2.gz CMOMJDJKNWHVOU-QMMMGPOBSA-N 1 2 291.214 2.765 10 0 CFAELO C[C@H]1CCSCC[N@H+]1Cc1cc(Br)no1 ZINC000292675075 198370708 /nfs/dbraw/zinc/37/07/08/198370708.db2.gz CMOMJDJKNWHVOU-QMMMGPOBSA-N 1 2 291.214 2.765 10 0 CFAELO C[C@H]1CSCC[N@H+](Cc2cc(Br)no2)C1 ZINC000292836319 291013911 /nfs/dbraw/zinc/01/39/11/291013911.db2.gz MYXNCXKEMVAYRZ-MRVPVSSYSA-N 1 2 291.214 2.622 10 0 CFAELO C[C@H]1CSCC[N@@H+](Cc2cc(Br)no2)C1 ZINC000292836319 291013914 /nfs/dbraw/zinc/01/39/14/291013914.db2.gz MYXNCXKEMVAYRZ-MRVPVSSYSA-N 1 2 291.214 2.622 10 0 CFAELO c1c[nH+]c([C@H]2CCCN2Cc2nc3cccnc3s2)[nH]1 ZINC000329241315 202247123 /nfs/dbraw/zinc/24/71/23/202247123.db2.gz NNIMTAFOWWOKDM-LLVKDONJSA-N 1 2 285.376 2.752 10 0 CFAELO Cc1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)o1 ZINC000192951478 540576689 /nfs/dbraw/zinc/57/66/89/540576689.db2.gz VWAXCOGFRZPLIP-QMTHXVAHSA-N 1 2 276.311 2.604 10 0 CFAELO Cc1ncc(C[S@@](=O)Cc2[nH+]ccn2C(C)C)s1 ZINC000176840888 189011244 /nfs/dbraw/zinc/01/12/44/189011244.db2.gz PCVCVKAWLRJBID-GOSISDBHSA-N 1 2 283.422 2.678 10 0 CFAELO O=C(CCc1ccccc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177733695 189066139 /nfs/dbraw/zinc/06/61/39/189066139.db2.gz FJOHYMSJNKCEDA-MRXNPFEDSA-N 1 2 283.375 2.507 10 0 CFAELO Cc1ccc(F)c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177734753 189066252 /nfs/dbraw/zinc/06/62/52/189066252.db2.gz UTJPFLXIHLJUBK-CYBMUJFWSA-N 1 2 287.338 2.635 10 0 CFAELO O=C(CC1CCCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177743574 189066455 /nfs/dbraw/zinc/06/64/55/189066455.db2.gz UKQUIGTYYZGIFX-OAHLLOKOSA-N 1 2 275.396 2.845 10 0 CFAELO Cc1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)sc1C ZINC000177753446 189067242 /nfs/dbraw/zinc/06/72/42/189067242.db2.gz FSVMQQPZTLABFH-CYBMUJFWSA-N 1 2 289.404 2.866 10 0 CFAELO Cc1ccc([C@@H](C)NC(=O)NCc2ccn3cc[nH+]c3c2)o1 ZINC000177928593 189080231 /nfs/dbraw/zinc/08/02/31/189080231.db2.gz UHGSYMXJZKCOLA-GFCCVEGCSA-N 1 2 298.346 2.796 10 0 CFAELO CCS[C@@H]1CC[C@]1(O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000301490078 201027929 /nfs/dbraw/zinc/02/79/29/201027929.db2.gz LYPOJCZVPIOZBL-DOMZBBRYSA-N 1 2 295.452 2.967 10 0 CFAELO CSc1ccc(NCCc2ccc(C)[nH+]c2)nn1 ZINC000301596405 201087089 /nfs/dbraw/zinc/08/70/89/201087089.db2.gz WICKYTGCFBNICH-UHFFFAOYSA-N 1 2 260.366 2.557 10 0 CFAELO CCCCc1noc([C@@H](C)[NH2+][C@H](CO)c2ccccc2)n1 ZINC000182906594 189338846 /nfs/dbraw/zinc/33/88/46/189338846.db2.gz AJZHTZPCGABEJX-TZMCWYRMSA-N 1 2 289.379 2.796 10 0 CFAELO CCn1c(C)nnc1C[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183509902 189360801 /nfs/dbraw/zinc/36/08/01/189360801.db2.gz QAWXHFGCKYHVIN-CYBMUJFWSA-N 1 2 291.424 2.612 10 0 CFAELO CCc1nncn1CCNc1cc(C)[nH+]c2c(F)cccc12 ZINC000301690364 201140927 /nfs/dbraw/zinc/14/09/27/201140927.db2.gz WHCAZDNXBJEVAB-UHFFFAOYSA-N 1 2 299.353 2.948 10 0 CFAELO Cc1csc(CN(C)c2[nH]c3ccccc3[nH+]2)n1 ZINC000301897105 201252293 /nfs/dbraw/zinc/25/22/93/201252293.db2.gz VHBGNSAAEXEPAA-UHFFFAOYSA-N 1 2 258.350 2.964 10 0 CFAELO COc1ccc2[nH+]c(N(C)Cc3noc(C)n3)ccc2c1 ZINC000302064477 201327136 /nfs/dbraw/zinc/32/71/36/201327136.db2.gz ALEUMHMLSPNCCW-UHFFFAOYSA-N 1 2 284.319 2.571 10 0 CFAELO CNc1nc(NCc2cccs2)[nH+]cc1Br ZINC000302137106 201359548 /nfs/dbraw/zinc/35/95/48/201359548.db2.gz IGBKNKAKKZDEFB-UHFFFAOYSA-N 1 2 299.197 2.954 10 0 CFAELO Cn1cccc1C[N@@H+]1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000275426399 193032616 /nfs/dbraw/zinc/03/26/16/193032616.db2.gz FBAUNPMLNIWUMK-KRWDZBQOSA-N 1 2 298.434 2.975 10 0 CFAELO Cn1cccc1C[N@H+]1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000275426399 193032618 /nfs/dbraw/zinc/03/26/18/193032618.db2.gz FBAUNPMLNIWUMK-KRWDZBQOSA-N 1 2 298.434 2.975 10 0 CFAELO CC1(C)COC(c2ccc3[nH+]c(N)ccc3c2)OC1 ZINC000013584284 372034638 /nfs/dbraw/zinc/03/46/38/372034638.db2.gz YTTUGTKDPVBCDZ-UHFFFAOYSA-N 1 2 258.321 2.889 10 0 CFAELO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)o2)o1 ZINC000034994204 372527792 /nfs/dbraw/zinc/52/77/92/372527792.db2.gz AWOJRVYFVQFHLW-SNVBAGLBSA-N 1 2 263.293 2.818 10 0 CFAELO C[C@@H]([NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl)C(N)=O ZINC000035793090 372551910 /nfs/dbraw/zinc/55/19/10/372551910.db2.gz FGJSORIXWVHCKZ-PHDIDXHHSA-N 1 2 279.142 2.657 10 0 CFAELO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)C(C)C 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ZINC000098089464 284436705 /nfs/dbraw/zinc/43/67/05/284436705.db2.gz MZBQBWQWSZKZRL-TZMCWYRMSA-N 1 2 291.391 2.575 10 0 CFAELO COC(=O)[C@@H]1CC[C@H](c2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC000079026497 374584755 /nfs/dbraw/zinc/58/47/55/374584755.db2.gz ZBHGKRXYVLPJEF-JQWIXIFHSA-N 1 2 287.281 2.714 10 0 CFAELO S=C(Nc1ccc2[nH]c[nH+]c2c1)N1CCCCC1 ZINC000089195174 374887424 /nfs/dbraw/zinc/88/74/24/374887424.db2.gz KBQYNMWAROPDHL-UHFFFAOYSA-N 1 2 260.366 2.746 10 0 CFAELO Cn1cccc1C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000092812309 375159096 /nfs/dbraw/zinc/15/90/96/375159096.db2.gz BKKHDFZSCPMABC-OAHLLOKOSA-N 1 2 299.422 2.680 10 0 CFAELO Cn1cccc1C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000092812309 375159099 /nfs/dbraw/zinc/15/90/99/375159099.db2.gz BKKHDFZSCPMABC-OAHLLOKOSA-N 1 2 299.422 2.680 10 0 CFAELO Cc1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)o1 ZINC000092831421 375163116 /nfs/dbraw/zinc/16/31/16/375163116.db2.gz DFPUHOXQYPWLKH-GFCCVEGCSA-N 1 2 264.350 2.618 10 0 CFAELO Cc1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)o1 ZINC000092831421 375163121 /nfs/dbraw/zinc/16/31/21/375163121.db2.gz DFPUHOXQYPWLKH-GFCCVEGCSA-N 1 2 264.350 2.618 10 0 CFAELO CCCn1ncnc1C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094955505 375398627 /nfs/dbraw/zinc/39/86/27/375398627.db2.gz GPQFHGNUPMDKHO-LBPRGKRZSA-N 1 2 276.359 2.986 10 0 CFAELO C[C@H]1CCCN(c2cc(NCc3ccco3)[nH+]cn2)C1 ZINC000110110621 375825968 /nfs/dbraw/zinc/82/59/68/375825968.db2.gz VIJNZFOHOJVOOC-LBPRGKRZSA-N 1 2 272.352 2.918 10 0 CFAELO C[C@H]1CCCN(c2cc(NCc3ccco3)nc[nH+]2)C1 ZINC000110110621 375825976 /nfs/dbraw/zinc/82/59/76/375825976.db2.gz VIJNZFOHOJVOOC-LBPRGKRZSA-N 1 2 272.352 2.918 10 0 CFAELO CCC[C@@H](C)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112728979 375958052 /nfs/dbraw/zinc/95/80/52/375958052.db2.gz LJRXMGVWVJFIAK-GFCCVEGCSA-N 1 2 277.412 2.864 10 0 CFAELO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)o1 ZINC000112516730 375926017 /nfs/dbraw/zinc/92/60/17/375926017.db2.gz IJHCGWKLGUFAKO-VHSXEESVSA-N 1 2 289.335 2.561 10 0 CFAELO CCCCC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112665107 375940504 /nfs/dbraw/zinc/94/05/04/375940504.db2.gz GJMHYYCARNORGX-UHFFFAOYSA-N 1 2 263.385 2.618 10 0 CFAELO CC(C)CCC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112667079 375941266 /nfs/dbraw/zinc/94/12/66/375941266.db2.gz STDIKIRWOZNGMT-UHFFFAOYSA-N 1 2 277.412 2.864 10 0 CFAELO COC(=O)c1coc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114482650 376068073 /nfs/dbraw/zinc/06/80/73/376068073.db2.gz NUYVEOUHUVMZRD-AWEZNQCLSA-N 1 2 289.335 2.517 10 0 CFAELO COC(=O)c1coc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114482650 376068081 /nfs/dbraw/zinc/06/80/81/376068081.db2.gz NUYVEOUHUVMZRD-AWEZNQCLSA-N 1 2 289.335 2.517 10 0 CFAELO Cc1nc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)oc1C ZINC000114484058 376068955 /nfs/dbraw/zinc/06/89/55/376068955.db2.gz NCWZFNKTVBPUEJ-ZDUSSCGKSA-N 1 2 260.341 2.742 10 0 CFAELO Cc1nc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)oc1C ZINC000114484058 376068961 /nfs/dbraw/zinc/06/89/61/376068961.db2.gz NCWZFNKTVBPUEJ-ZDUSSCGKSA-N 1 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379361316 /nfs/dbraw/zinc/36/13/16/379361316.db2.gz PIEJSBZGMHPGFV-UHFFFAOYSA-N 1 2 276.409 2.558 10 0 CFAELO CC(C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173950603 379807474 /nfs/dbraw/zinc/80/74/74/379807474.db2.gz RZDOGVKTFZYRAE-GFCCVEGCSA-N 1 2 257.337 2.706 10 0 CFAELO C[C@@H](NC(=O)NCC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174760760 379935549 /nfs/dbraw/zinc/93/55/49/379935549.db2.gz UVLVCUBWPQQVAT-GFCCVEGCSA-N 1 2 284.363 2.643 10 0 CFAELO Cc1nc(C[NH+]2CCC(c3ccn[nH]3)CC2)sc1C ZINC000176345637 380219197 /nfs/dbraw/zinc/21/91/97/380219197.db2.gz ZVHFBWDSKNAXSK-UHFFFAOYSA-N 1 2 276.409 2.863 10 0 CFAELO Cn1c[nH+]cc1CN1CCCC[C@H]1c1nccs1 ZINC000177032568 380296082 /nfs/dbraw/zinc/29/60/82/380296082.db2.gz LFLYVDZHPXWHOA-LBPRGKRZSA-N 1 2 262.382 2.604 10 0 CFAELO C[C@H]([NH2+][C@@H]1CCNC1=O)c1c(Cl)ccc(F)c1Cl ZINC000179063965 380505206 /nfs/dbraw/zinc/50/52/06/380505206.db2.gz SIVDGUVQSQHSDK-IMTBSYHQSA-N 1 2 291.153 2.672 10 0 CFAELO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nnc(C(C)C)n2C)n1 ZINC000178673047 380475128 /nfs/dbraw/zinc/47/51/28/380475128.db2.gz RIKNESLTJBKPBJ-HNNXBMFYSA-N 1 2 299.422 2.979 10 0 CFAELO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nnc(C(C)C)n2C)n1 ZINC000178673047 380475131 /nfs/dbraw/zinc/47/51/31/380475131.db2.gz RIKNESLTJBKPBJ-HNNXBMFYSA-N 1 2 299.422 2.979 10 0 CFAELO CCn1cc[nH+]c1CSCc1ncn(-c2ccccc2)n1 ZINC000179983238 380605122 /nfs/dbraw/zinc/60/51/22/380605122.db2.gz MWAGAXKFPPVLLA-UHFFFAOYSA-N 1 2 299.403 2.917 10 0 CFAELO CCCCCS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000180679762 380689215 /nfs/dbraw/zinc/68/92/15/380689215.db2.gz SBAAXIVGOWBUBS-UHFFFAOYSA-N 1 2 258.387 2.569 10 0 CFAELO CCCCC[C@H](CC)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000181083429 380734615 /nfs/dbraw/zinc/73/46/15/380734615.db2.gz SMPHVEVMURFIMF-JKSUJKDBSA-N 1 2 296.455 2.526 10 0 CFAELO Cc1csc([C@H]2CCC[N@@H+](CC(=O)OCC(C)C)C2)n1 ZINC000181442800 380794651 /nfs/dbraw/zinc/79/46/51/380794651.db2.gz RARPFZMFESZYMG-ZDUSSCGKSA-N 1 2 296.436 2.830 10 0 CFAELO Cc1csc([C@H]2CCC[N@H+](CC(=O)OCC(C)C)C2)n1 ZINC000181442800 380794654 /nfs/dbraw/zinc/79/46/54/380794654.db2.gz RARPFZMFESZYMG-ZDUSSCGKSA-N 1 2 296.436 2.830 10 0 CFAELO CC(C)c1cnc(C[N@@H+]2CCC[C@H](n3cncn3)C2)s1 ZINC000183049720 381203425 /nfs/dbraw/zinc/20/34/25/381203425.db2.gz UTRDWOPZQOGBBR-LBPRGKRZSA-N 1 2 291.424 2.695 10 0 CFAELO CC(C)c1cnc(C[N@H+]2CCC[C@H](n3cncn3)C2)s1 ZINC000183049720 381203428 /nfs/dbraw/zinc/20/34/28/381203428.db2.gz UTRDWOPZQOGBBR-LBPRGKRZSA-N 1 2 291.424 2.695 10 0 CFAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1ccc(C)c(C)c1 ZINC000184165148 381379078 /nfs/dbraw/zinc/37/90/78/381379078.db2.gz IOBWSWXPEVDBBV-INIZCTEOSA-N 1 2 290.407 2.743 10 0 CFAELO CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1ccc(C)c(C)c1 ZINC000184165148 381379084 /nfs/dbraw/zinc/37/90/84/381379084.db2.gz IOBWSWXPEVDBBV-INIZCTEOSA-N 1 2 290.407 2.743 10 0 CFAELO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c1 ZINC000184371608 381407201 /nfs/dbraw/zinc/40/72/01/381407201.db2.gz JBRVDJLFAIFENC-OLZOCXBDSA-N 1 2 285.395 2.730 10 0 CFAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184385457 381409078 /nfs/dbraw/zinc/40/90/78/381409078.db2.gz XEYRPFJVWATRMM-GXTWGEPZSA-N 1 2 285.395 2.730 10 0 CFAELO CCC[C@@H](N[C@@H](C)c1[nH+]ccn1C)C(=O)OC(C)(C)C ZINC000185265489 381580051 /nfs/dbraw/zinc/58/00/51/381580051.db2.gz UCIHNMGTURDNJM-NWDGAFQWSA-N 1 2 281.400 2.581 10 0 CFAELO COc1ccsc1[C@@H](C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000186188827 381847728 /nfs/dbraw/zinc/84/77/28/381847728.db2.gz NCQHXJFFJLQEPR-NXEZZACHSA-N 1 2 278.381 2.534 10 0 CFAELO CCc1nc2n(n1)C[C@H](Nc1ccc3ccccc3[nH+]1)CC2 ZINC000301214920 382107838 /nfs/dbraw/zinc/10/78/38/382107838.db2.gz YAUOYCKDAMDWNS-CYBMUJFWSA-N 1 2 293.374 2.816 10 0 CFAELO Fc1ccc2[nH+]c(NCc3ncc(Cl)s3)[nH]c2c1 ZINC000362636208 382181622 /nfs/dbraw/zinc/18/16/22/382181622.db2.gz MKYZKGCWSQJXDA-UHFFFAOYSA-N 1 2 282.731 2.846 10 0 CFAELO CCc1cc(N2CCO[C@H](c3ccc(C)o3)C2)nc(C)[nH+]1 ZINC000302072306 382207109 /nfs/dbraw/zinc/20/71/09/382207109.db2.gz 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/nfs/dbraw/zinc/61/17/19/382611719.db2.gz IZVGBMPIBSDJOO-LLVKDONJSA-N 1 2 267.442 2.624 10 0 CFAELO C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000192981223 382714243 /nfs/dbraw/zinc/71/42/43/382714243.db2.gz YWJOKQNOWIRSRX-SMDDNHRTSA-N 1 2 283.799 2.873 10 0 CFAELO C[C@H](O)C[N@H+]1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000192981223 382714244 /nfs/dbraw/zinc/71/42/44/382714244.db2.gz YWJOKQNOWIRSRX-SMDDNHRTSA-N 1 2 283.799 2.873 10 0 CFAELO COC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000193097806 382715783 /nfs/dbraw/zinc/71/57/83/382715783.db2.gz SCYSLYUWTKKOKG-DDTOSNHZSA-N 1 2 265.328 2.613 10 0 CFAELO C[C@@H]1C[NH2+][C@@H](c2ccncc2Br)S1 ZINC000575544314 382773387 /nfs/dbraw/zinc/77/33/87/382773387.db2.gz CRKIUGSEIZYANQ-HZGVNTEJSA-N 1 2 259.172 2.568 10 0 CFAELO C[C@H]1CS[C@@H](c2ccncc2Br)[NH2+]1 ZINC000575545863 382773669 /nfs/dbraw/zinc/77/36/69/382773669.db2.gz NSEXOYXQVKYHIU-RCOVLWMOSA-N 1 2 259.172 2.568 10 0 CFAELO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1cccnc1 ZINC000226260745 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COCCN1CC[N@@H+]([C@H](C)c2ccccc2F)C[C@@H]1C ZINC000247811549 383196785 /nfs/dbraw/zinc/19/67/85/383196785.db2.gz UZERXSPUBHFSEM-UONOGXRCSA-N 1 2 280.387 2.539 10 0 CFAELO COCCN1CC[N@H+]([C@H](C)c2ccccc2F)C[C@@H]1C ZINC000247811549 383196790 /nfs/dbraw/zinc/19/67/90/383196790.db2.gz UZERXSPUBHFSEM-UONOGXRCSA-N 1 2 280.387 2.539 10 0 CFAELO CN(C)C(=O)c1ccc(Nc2ccc3c(c2)CCC[NH2+]3)nc1 ZINC000262041468 383598805 /nfs/dbraw/zinc/59/88/05/383598805.db2.gz BYBPMRQCRUTMSW-UHFFFAOYSA-N 1 2 296.374 2.885 10 0 CFAELO C[C@H]1OCC[NH2+][C@@H]1c1nc(-c2cccc3ccccc32)no1 ZINC000263189812 383656060 /nfs/dbraw/zinc/65/60/60/383656060.db2.gz HSEBCTPQOYMYKJ-ABAIWWIYSA-N 1 2 295.342 2.939 10 0 CFAELO Cc1nc2c(c(N3CCC[C@H]3Cn3cc[nH+]c3)n1)CCCC2 ZINC000272802003 385619179 /nfs/dbraw/zinc/61/91/79/385619179.db2.gz AULTUWGXOLYEOZ-AWEZNQCLSA-N 1 2 297.406 2.529 10 0 CFAELO CCn1cc([C@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)cn1 ZINC000191696877 130279518 /nfs/dbraw/zinc/27/95/18/130279518.db2.gz ASTKHUSZCBSLRG-MRXNPFEDSA-N 1 2 289.354 2.616 10 0 CFAELO CCn1cc([C@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)cn1 ZINC000191696877 130279522 /nfs/dbraw/zinc/27/95/22/130279522.db2.gz ASTKHUSZCBSLRG-MRXNPFEDSA-N 1 2 289.354 2.616 10 0 CFAELO CC(C)n1nnnc1C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000195042718 393729438 /nfs/dbraw/zinc/72/94/38/393729438.db2.gz JIWPNUQDHQXNON-NSHDSACASA-N 1 2 277.347 2.586 10 0 CFAELO CC(C)n1nnnc1C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000195042718 393729444 /nfs/dbraw/zinc/72/94/44/393729444.db2.gz JIWPNUQDHQXNON-NSHDSACASA-N 1 2 277.347 2.586 10 0 CFAELO CCc1nnc(C[N@@H+]2CCc3sccc3[C@H]2CC)n1C ZINC000195075370 393730485 /nfs/dbraw/zinc/73/04/85/393730485.db2.gz RPALSSCRQGTARQ-GFCCVEGCSA-N 1 2 290.436 2.948 10 0 CFAELO CCc1nnc(C[N@H+]2CCc3sccc3[C@H]2CC)n1C ZINC000195075370 393730488 /nfs/dbraw/zinc/73/04/88/393730488.db2.gz RPALSSCRQGTARQ-GFCCVEGCSA-N 1 2 290.436 2.948 10 0 CFAELO C[C@H]1CCCN(c2cc(NCc3cccnc3)[nH+]cn2)C1 ZINC000105785343 393864259 /nfs/dbraw/zinc/86/42/59/393864259.db2.gz PGBDANSZPGYJDO-ZDUSSCGKSA-N 1 2 283.379 2.720 10 0 CFAELO C[C@H]1CCCN(c2cc(NCc3cccnc3)nc[nH+]2)C1 ZINC000105785343 393864263 /nfs/dbraw/zinc/86/42/63/393864263.db2.gz PGBDANSZPGYJDO-ZDUSSCGKSA-N 1 2 283.379 2.720 10 0 CFAELO C[C@H]1CC[C@@H](C(=O)Nc2c[nH+]ccc2OC(C)(C)C)O1 ZINC000131941274 394144468 /nfs/dbraw/zinc/14/44/68/394144468.db2.gz AUBSTKLWXBJNOY-GWCFXTLKSA-N 1 2 278.352 2.765 10 0 CFAELO Clc1ncc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)s1 ZINC000152358869 394276276 /nfs/dbraw/zinc/27/62/76/394276276.db2.gz PWMUNSHXDGBMIT-LLVKDONJSA-N 1 2 295.795 2.845 10 0 CFAELO Clc1ncc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)s1 ZINC000152358869 394276279 /nfs/dbraw/zinc/27/62/79/394276279.db2.gz PWMUNSHXDGBMIT-LLVKDONJSA-N 1 2 295.795 2.845 10 0 CFAELO Nc1c(N2CCc3ccccc32)nc[nH+]c1N1CCCCC1 ZINC000040687289 134867722 /nfs/dbraw/zinc/86/77/22/134867722.db2.gz ZJYYLTDKPQAIRT-UHFFFAOYSA-N 1 2 295.390 2.743 10 0 CFAELO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000536624351 394563967 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c1[nH]cc(Cc2nc(-c3ccccn3)c3ccccn23)[nH+]1 ZINC000104835992 397596449 /nfs/dbraw/zinc/59/64/49/397596449.db2.gz SUFXYAXDVCTUJG-UHFFFAOYSA-N 1 2 275.315 2.710 10 0 CFAELO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)o1 ZINC000131130817 292196494 /nfs/dbraw/zinc/19/64/94/292196494.db2.gz TZECDIFTGPHHAO-VXGBXAGGSA-N 1 2 274.368 2.928 10 0 CFAELO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2csnn2)C12CCCC2 ZINC000130125041 286247496 /nfs/dbraw/zinc/24/74/96/286247496.db2.gz RRTLXQMHENOELP-CHWSQXEVSA-N 1 2 281.425 2.708 10 0 CFAELO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2csnn2)C12CCCC2 ZINC000130125041 286247497 /nfs/dbraw/zinc/24/74/97/286247497.db2.gz RRTLXQMHENOELP-CHWSQXEVSA-N 1 2 281.425 2.708 10 0 CFAELO COc1ccc(Cl)c(C[NH+]2[C@H](C)COC[C@H]2C)c1 ZINC000192037711 286315969 /nfs/dbraw/zinc/31/59/69/286315969.db2.gz FPKNFUOBYJFODZ-GHMZBOCLSA-N 1 2 269.772 2.958 10 0 CFAELO COc1ccsc1[C@H](C)[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000186219931 286531230 /nfs/dbraw/zinc/53/12/30/286531230.db2.gz ZGMDVLIXLIDPBB-GXSJLCMTSA-N 1 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175040623 /nfs/dbraw/zinc/04/06/23/175040623.db2.gz XUIINDXMWYNPRK-RDJZCZTQSA-N 1 2 273.376 2.821 10 0 CFAELO Cc1ccc(C(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000043426433 175040820 /nfs/dbraw/zinc/04/08/20/175040820.db2.gz XUIINDXMWYNPRK-DOTOQJQBSA-N 1 2 273.376 2.821 10 0 CFAELO Cc1ccc(C(=O)C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000043426433 175040821 /nfs/dbraw/zinc/04/08/21/175040821.db2.gz XUIINDXMWYNPRK-DOTOQJQBSA-N 1 2 273.376 2.821 10 0 CFAELO COC(=O)[C@@H](CC(C)C)n1c(N)[nH+]c2c1cccc2F ZINC000043436668 175045315 /nfs/dbraw/zinc/04/53/15/175045315.db2.gz RXWYGZJVRUDKTD-LLVKDONJSA-N 1 2 279.315 2.518 10 0 CFAELO CC[C@@H](C)[C@H]([NH2+]Cc1ccc(O)c(Cl)c1)C(=O)OC ZINC000043479438 175055460 /nfs/dbraw/zinc/05/54/60/175055460.db2.gz KXYJPFRUZNNYEZ-RNCFNFMXSA-N 1 2 285.771 2.723 10 0 CFAELO CCOC(=O)C[C@@H](C)[NH2+]c1ccc(OC)c(C)c1 ZINC000043621751 175080739 /nfs/dbraw/zinc/08/07/39/175080739.db2.gz YNKOMEAQPRQACO-LLVKDONJSA-N 1 2 251.326 2.757 10 0 CFAELO CN[C@@H](C[NH+]1CCC(C)CC1)c1cc(OC)ccc1OC ZINC000043806405 175108349 /nfs/dbraw/zinc/10/83/49/175108349.db2.gz CLWNBEMTCRVLMC-INIZCTEOSA-N 1 2 292.423 2.696 10 0 CFAELO CCN(CC)c1nc(N)cc(-c2ccc(OC)cc2)[nH+]1 ZINC000044263303 175157522 /nfs/dbraw/zinc/15/75/22/175157522.db2.gz PLRPMLPIEJGDNE-UHFFFAOYSA-N 1 2 272.352 2.581 10 0 CFAELO Nc1ccc2[nH+]c(NCC[C@@H]3CCCO3)ccc2c1 ZINC000044510230 175187385 /nfs/dbraw/zinc/18/73/85/175187385.db2.gz YZHGEKKNNUHWLX-ZDUSSCGKSA-N 1 2 257.337 2.798 10 0 CFAELO Oc1ccc(-c2noc([C@@H]3[NH2+]CCc4sccc43)n2)cc1 ZINC000044592953 175214232 /nfs/dbraw/zinc/21/42/32/175214232.db2.gz OFWUXIUYIHQGDL-CYBMUJFWSA-N 1 2 299.355 2.739 10 0 CFAELO Cc1nc(C[N@H+](C)C[C@@H]2CNc3ccccc3O2)cs1 ZINC000044609964 175216582 /nfs/dbraw/zinc/21/65/82/175216582.db2.gz GWYPROGBVLGNJO-ZDUSSCGKSA-N 1 2 289.404 2.756 10 0 CFAELO Cc1nc(C[N@@H+](C)C[C@@H]2CNc3ccccc3O2)cs1 ZINC000044609964 175216583 /nfs/dbraw/zinc/21/65/83/175216583.db2.gz GWYPROGBVLGNJO-ZDUSSCGKSA-N 1 2 289.404 2.756 10 0 CFAELO NC(=S)c1cc[nH+]c(N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000044660430 175226073 /nfs/dbraw/zinc/22/60/73/175226073.db2.gz BNJVURKWVPMCHV-OLZOCXBDSA-N 1 2 269.373 2.684 10 0 CFAELO COC(=O)[C@@H](CC(C)C)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747171 175242416 /nfs/dbraw/zinc/24/24/16/175242416.db2.gz NFXGJKPWZXLCCL-HZPDHXFCSA-N 1 2 291.391 2.947 10 0 CFAELO Cn1cc[nH+]c1CCn1c2ccc(F)cc2[nH]c1=S ZINC000045135942 175313572 /nfs/dbraw/zinc/31/35/72/175313572.db2.gz NKFKKAUCKDLVEK-UHFFFAOYSA-N 1 2 276.340 2.814 10 0 CFAELO CCOC(=O)[C@@](C)(CCN(C)c1ccccc1)[NH2+]C1CC1 ZINC000045227766 175333227 /nfs/dbraw/zinc/33/32/27/175333227.db2.gz JDQDANODNLUYTJ-QGZVFWFLSA-N 1 2 290.407 2.587 10 0 CFAELO CCC[NH2+][C@@](C)(C[N@H+](CC)CC(CC)CC)C(=O)[O-] ZINC000045277752 175347564 /nfs/dbraw/zinc/34/75/64/175347564.db2.gz OFZAELKDWWSIIR-HNNXBMFYSA-N 1 2 272.433 2.587 10 0 CFAELO CCC[NH2+][C@@](C)(C[N@@H+](CC)CC(CC)CC)C(=O)[O-] ZINC000045277752 175347566 /nfs/dbraw/zinc/34/75/66/175347566.db2.gz OFZAELKDWWSIIR-HNNXBMFYSA-N 1 2 272.433 2.587 10 0 CFAELO CCC[NH2+][C@H](CN(CC)c1ccccc1C)C(=O)OCC ZINC000045369783 175363734 /nfs/dbraw/zinc/36/37/34/175363734.db2.gz DUSMVXJJVURABX-OAHLLOKOSA-N 1 2 292.423 2.753 10 0 CFAELO CCC[NH2+][C@@H](CN(CC)c1cccc(C)c1)C(=O)OCC ZINC000045420019 175377847 /nfs/dbraw/zinc/37/78/47/175377847.db2.gz MDIBRYJFYIFDQD-INIZCTEOSA-N 1 2 292.423 2.753 10 0 CFAELO C[C@@H](Nc1cccc(-c2nnco2)c1)c1[nH+]ccn1C ZINC000070443703 175935240 /nfs/dbraw/zinc/93/52/40/175935240.db2.gz GRAFGYBXWUGZTR-SNVBAGLBSA-N 1 2 269.308 2.643 10 0 CFAELO Cc1cc(Nc2ccc3c(c2)CCC[NH2+]3)n2ncnc2n1 ZINC000071214978 176086267 /nfs/dbraw/zinc/08/62/67/176086267.db2.gz DQQUQDFSBUTGOV-UHFFFAOYSA-N 1 2 280.335 2.534 10 0 CFAELO C[C@@H](Cc1cccs1)Nc1[nH+]cccc1C(N)=S ZINC000071272009 176104594 /nfs/dbraw/zinc/10/45/94/176104594.db2.gz XXLIGAJPXRYATF-VIFPVBQESA-N 1 2 277.418 2.820 10 0 CFAELO C[C@H](Cc1cccs1)Nc1[nH+]cccc1C(N)=S ZINC000071272010 176104733 /nfs/dbraw/zinc/10/47/33/176104733.db2.gz 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/nfs/dbraw/zinc/06/98/85/376069885.db2.gz NUYVEOUHUVMZRD-CQSZACIVSA-N 1 2 289.335 2.517 10 0 CFAELO COC(=O)c1coc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114482647 376069890 /nfs/dbraw/zinc/06/98/90/376069890.db2.gz NUYVEOUHUVMZRD-CQSZACIVSA-N 1 2 289.335 2.517 10 0 CFAELO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccco1)c1nccs1 ZINC000116296312 376177844 /nfs/dbraw/zinc/17/78/44/376177844.db2.gz SZJBJLZECYSGCW-LLVKDONJSA-N 1 2 291.376 2.536 10 0 CFAELO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccco1)c1nccs1 ZINC000116296312 376177852 /nfs/dbraw/zinc/17/78/52/376177852.db2.gz SZJBJLZECYSGCW-LLVKDONJSA-N 1 2 291.376 2.536 10 0 CFAELO CCCCOC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000120040705 376532831 /nfs/dbraw/zinc/53/28/31/376532831.db2.gz UGQOTBIESHTTBF-TZMCWYRMSA-N 1 2 279.384 2.669 10 0 CFAELO CCCCOC(=O)[C@@H](C)[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000120040705 376532841 /nfs/dbraw/zinc/53/28/41/376532841.db2.gz UGQOTBIESHTTBF-TZMCWYRMSA-N 1 2 279.384 2.669 10 0 CFAELO C[C@@H](NC(=O)C1(C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000120527769 376634300 /nfs/dbraw/zinc/63/43/00/376634300.db2.gz YBUIURCNNXHLQQ-GFCCVEGCSA-N 1 2 269.348 2.850 10 0 CFAELO C[C@@H]1COC[C@H](C)[N@H+]1CCOc1ccccc1Cl ZINC000120953133 376731677 /nfs/dbraw/zinc/73/16/77/376731677.db2.gz SRASNFLWHHSYNZ-TXEJJXNPSA-N 1 2 269.772 2.828 10 0 CFAELO C[C@@H]1COC[C@H](C)[N@@H+]1CCOc1ccccc1Cl ZINC000120953133 376731689 /nfs/dbraw/zinc/73/16/89/376731689.db2.gz SRASNFLWHHSYNZ-TXEJJXNPSA-N 1 2 269.772 2.828 10 0 CFAELO CCc1cc(=O)[nH]c(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000121588013 376863522 /nfs/dbraw/zinc/86/35/22/376863522.db2.gz YDDIYNLRXYPBES-SJKOYZFVSA-N 1 2 283.375 2.938 10 0 CFAELO CCc1cc(=O)[nH]c(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000121588013 376863532 /nfs/dbraw/zinc/86/35/32/376863532.db2.gz YDDIYNLRXYPBES-SJKOYZFVSA-N 1 2 283.375 2.938 10 0 CFAELO CC(C)CCC1CC[NH+](Cc2nnnn2C(C)C)CC1 ZINC000124906460 377102527 /nfs/dbraw/zinc/10/25/27/377102527.db2.gz UWJLZJOJWHRCBK-UHFFFAOYSA-N 1 2 279.432 2.902 10 0 CFAELO COc1c(C[N@H+](C)[C@@H](C)c2ccco2)c(C)nn1C ZINC000131099437 377656540 /nfs/dbraw/zinc/65/65/40/377656540.db2.gz PSKDPUXUOVFOTG-NSHDSACASA-N 1 2 263.341 2.523 10 0 CFAELO COc1c(C[N@@H+](C)[C@@H](C)c2ccco2)c(C)nn1C ZINC000131099437 377656550 /nfs/dbraw/zinc/65/65/50/377656550.db2.gz PSKDPUXUOVFOTG-NSHDSACASA-N 1 2 263.341 2.523 10 0 CFAELO COCc1ccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000131501249 377720512 /nfs/dbraw/zinc/72/05/12/377720512.db2.gz PQFQFUADZGBYJA-ZDUSSCGKSA-N 1 2 293.407 2.995 10 0 CFAELO COCc1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000131501249 377720522 /nfs/dbraw/zinc/72/05/22/377720522.db2.gz PQFQFUADZGBYJA-ZDUSSCGKSA-N 1 2 293.407 2.995 10 0 CFAELO Cc1cc(N2CCC[C@@](C)(CO)C2)nc(C(C)C)[nH+]1 ZINC000132701540 377868442 /nfs/dbraw/zinc/86/84/42/377868442.db2.gz LYXBKTAQUKVJDZ-OAHLLOKOSA-N 1 2 263.385 2.507 10 0 CFAELO Cc1ccc([C@@H](C)NC(=O)N(C)CCCn2cc[nH+]c2)o1 ZINC000137195903 378220876 /nfs/dbraw/zinc/22/08/76/378220876.db2.gz 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/nfs/dbraw/zinc/66/88/54/379668854.db2.gz LNENVDCGJGRATK-LBPRGKRZSA-N 1 2 270.380 2.553 10 0 CFAELO CS[C@H](C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173935792 379804091 /nfs/dbraw/zinc/80/40/91/379804091.db2.gz YCOHTIDNDBNZHL-VXGBXAGGSA-N 1 2 289.404 2.801 10 0 CFAELO CCCCCC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000175444436 380066558 /nfs/dbraw/zinc/06/65/58/380066558.db2.gz DLFDFDLOZCCCMW-OAHLLOKOSA-N 1 2 296.455 2.526 10 0 CFAELO CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccccc2C)n1 ZINC000181536806 380819475 /nfs/dbraw/zinc/81/94/75/380819475.db2.gz HYOFCLVIHUCXFI-NWDGAFQWSA-N 1 2 275.352 2.936 10 0 CFAELO Cc1nc(C[NH2+][C@@H](C)c2cccc(Br)c2)no1 ZINC000182572901 381113732 /nfs/dbraw/zinc/11/37/32/381113732.db2.gz CXBXHIMTEWVEBS-QMMMGPOBSA-N 1 2 296.168 2.991 10 0 CFAELO CCc1ccc([C@@H](C)[NH2+]Cc2noc(COC)n2)cc1 ZINC000182787149 381158791 /nfs/dbraw/zinc/15/87/91/381158791.db2.gz WHTWDDUJVBPDPZ-LLVKDONJSA-N 1 2 275.352 2.629 10 0 CFAELO CCOc1ccccc1[C@H](C)[NH2+]Cc1cnns1 ZINC000296279773 381329563 /nfs/dbraw/zinc/32/95/63/381329563.db2.gz KXIJFPYDPGCWDD-JTQLQIEISA-N 1 2 263.366 2.788 10 0 CFAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cncc(C)c1 ZINC000184385470 381409354 /nfs/dbraw/zinc/40/93/54/381409354.db2.gz XEYRPFJVWATRMM-OCCSQVGLSA-N 1 2 285.395 2.730 10 0 CFAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1ccc(C)c(F)c1 ZINC000184174229 381380882 /nfs/dbraw/zinc/38/08/82/381380882.db2.gz PLDVQCPGZXHCFW-OAHLLOKOSA-N 1 2 294.370 2.574 10 0 CFAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1ccc(C)c(F)c1 ZINC000184174229 381380886 /nfs/dbraw/zinc/38/08/86/381380886.db2.gz PLDVQCPGZXHCFW-OAHLLOKOSA-N 1 2 294.370 2.574 10 0 CFAELO CCO[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301133514 382089712 /nfs/dbraw/zinc/08/97/12/382089712.db2.gz YRJUPNXOXWXNQR-CYBMUJFWSA-N 1 2 263.385 2.914 10 0 CFAELO COC(=O)N1CCC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301187003 382101096 /nfs/dbraw/zinc/10/10/96/382101096.db2.gz PVQWZSFSXHGFJN-LBPRGKRZSA-N 1 2 292.383 2.551 10 0 CFAELO CCC1CCC(Nc2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000302885313 382344274 /nfs/dbraw/zinc/34/42/74/382344274.db2.gz KRJLRQIYUWKNQU-UHFFFAOYSA-N 1 2 290.411 2.694 10 0 CFAELO CCC1CCC(Nc2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000302885313 382344277 /nfs/dbraw/zinc/34/42/77/382344277.db2.gz KRJLRQIYUWKNQU-UHFFFAOYSA-N 1 2 290.411 2.694 10 0 CFAELO C[C@@H](Nc1nc[nH+]c(N)c1Cl)c1cccc(O)c1 ZINC000302858566 382335403 /nfs/dbraw/zinc/33/54/03/382335403.db2.gz TVRSAUNFMXUULU-SSDOTTSWSA-N 1 2 264.716 2.591 10 0 CFAELO C[C@@H](Nc1[nH+]cnc(N)c1Cl)c1cccc(O)c1 ZINC000302858566 382335409 /nfs/dbraw/zinc/33/54/09/382335409.db2.gz TVRSAUNFMXUULU-SSDOTTSWSA-N 1 2 264.716 2.591 10 0 CFAELO Fc1cc(Cl)ccc1C[NH2+][C@@H]1CCCn2ncnc21 ZINC000189376150 382600512 /nfs/dbraw/zinc/60/05/12/382600512.db2.gz SXXHFFJXVLICPR-GFCCVEGCSA-N 1 2 280.734 2.695 10 0 CFAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(F)nc1 ZINC000189278145 382580231 /nfs/dbraw/zinc/58/02/31/382580231.db2.gz PIXRBNVVQARMRZ-IHRRRGAJSA-N 1 2 292.354 2.527 10 0 CFAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(F)nc1 ZINC000189278145 382580235 /nfs/dbraw/zinc/58/02/35/382580235.db2.gz PIXRBNVVQARMRZ-IHRRRGAJSA-N 1 2 292.354 2.527 10 0 CFAELO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000189987972 382648799 /nfs/dbraw/zinc/64/87/99/382648799.db2.gz JRUUNTXPPKPLCC-RBOXIYTFSA-N 1 2 277.364 2.931 10 0 CFAELO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000189987972 382648800 /nfs/dbraw/zinc/64/88/00/382648800.db2.gz JRUUNTXPPKPLCC-RBOXIYTFSA-N 1 2 277.364 2.931 10 0 CFAELO C[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000191217174 382696104 /nfs/dbraw/zinc/69/61/04/382696104.db2.gz KDAIRNSYCNHITI-FZMZJTMJSA-N 1 2 285.347 2.830 10 0 CFAELO COc1cccc2c(N[C@H]3CCCC[C@H]3O)cc[nH+]c12 ZINC000193482494 382720294 /nfs/dbraw/zinc/72/02/94/382720294.db2.gz BMHQPTOVUDDTRL-UONOGXRCSA-N 1 2 272.348 2.959 10 0 CFAELO Cl/C=C/C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195513618 382768705 /nfs/dbraw/zinc/76/87/05/382768705.db2.gz XDYGYKOUQHCMCL-FZKGZDJFSA-N 1 2 280.803 2.894 10 0 CFAELO Cl/C=C/C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195513618 382768706 /nfs/dbraw/zinc/76/87/06/382768706.db2.gz XDYGYKOUQHCMCL-FZKGZDJFSA-N 1 2 280.803 2.894 10 0 CFAELO [NH3+][C@@H](c1ccsn1)c1occc1Br ZINC000575507252 382773346 /nfs/dbraw/zinc/77/33/46/382773346.db2.gz LBLQKMYKVXGJDG-ZETCQYMHSA-N 1 2 259.128 2.547 10 0 CFAELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cc(Cl)cs1 ZINC000194495288 382746088 /nfs/dbraw/zinc/74/60/88/382746088.db2.gz MWSLLWSKTIHZAJ-GFCCVEGCSA-N 1 2 273.785 2.929 10 0 CFAELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cc(Cl)cs1 ZINC000194495288 382746089 /nfs/dbraw/zinc/74/60/89/382746089.db2.gz MWSLLWSKTIHZAJ-GFCCVEGCSA-N 1 2 273.785 2.929 10 0 CFAELO C[C@@H]1CCCC[N@@H+]1c1ccc(-n2cccc2)cc1C(N)=O ZINC000226279675 382826038 /nfs/dbraw/zinc/82/60/38/382826038.db2.gz FNCTVECQVDNPTL-CYBMUJFWSA-N 1 2 283.375 2.955 10 0 CFAELO C[C@@H]1CCCC[N@H+]1c1ccc(-n2cccc2)cc1C(N)=O ZINC000226279675 382826041 /nfs/dbraw/zinc/82/60/41/382826041.db2.gz 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CFAELO CCC[C@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1ccccn1 ZINC000090224643 393777280 /nfs/dbraw/zinc/77/72/80/393777280.db2.gz ICVGVORZGMZIOZ-GJZGRUSLSA-N 1 2 285.395 2.947 10 0 CFAELO Cc1cccn2c(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)cnc12 ZINC000091979119 393785154 /nfs/dbraw/zinc/78/51/54/393785154.db2.gz YLHVUZSZVMYQPM-JKSUJKDBSA-N 1 2 285.391 2.786 10 0 CFAELO Cc1cccn2c(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)cnc12 ZINC000091979119 393785156 /nfs/dbraw/zinc/78/51/56/393785156.db2.gz YLHVUZSZVMYQPM-JKSUJKDBSA-N 1 2 285.391 2.786 10 0 CFAELO Cc1cccn2c(CN3CCO[C@@H]4CCCC[C@@H]43)c[nH+]c12 ZINC000091979119 393785157 /nfs/dbraw/zinc/78/51/57/393785157.db2.gz YLHVUZSZVMYQPM-JKSUJKDBSA-N 1 2 285.391 2.786 10 0 CFAELO C[C@@H](NC(=O)Cc1ccoc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000127123838 394044057 /nfs/dbraw/zinc/04/40/57/394044057.db2.gz FBLZQYPPXQSAOU-CYBMUJFWSA-N 1 2 295.342 2.885 10 0 CFAELO CCCn1c(C)nnc1SCc1[nH+]ccn1CC ZINC000131508536 394134289 /nfs/dbraw/zinc/13/42/89/394134289.db2.gz WQIGSXDANCYZEC-UHFFFAOYSA-N 1 2 265.386 2.505 10 0 CFAELO COc1c(N)[nH+]cnc1N[C@H]1CCCc2ccccc21 ZINC000134875893 394205586 /nfs/dbraw/zinc/20/55/86/394205586.db2.gz UXDITOWFFIYTPS-LBPRGKRZSA-N 1 2 270.336 2.557 10 0 CFAELO COc1c(N)nc[nH+]c1N[C@H]1CCCc2ccccc21 ZINC000134875893 394205589 /nfs/dbraw/zinc/20/55/89/394205589.db2.gz UXDITOWFFIYTPS-LBPRGKRZSA-N 1 2 270.336 2.557 10 0 CFAELO CCC1CCC(NC(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000137230660 394238532 /nfs/dbraw/zinc/23/85/32/394238532.db2.gz BBXOQIVOEJVPBU-UHFFFAOYSA-N 1 2 292.427 2.883 10 0 CFAELO Nc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)cn1 ZINC000647515163 395370349 /nfs/dbraw/zinc/37/03/49/395370349.db2.gz TWIBSUUZCSPBIV-GFCCVEGCSA-N 1 2 274.393 2.678 10 0 CFAELO Nc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)cn1 ZINC000647515163 395370355 /nfs/dbraw/zinc/37/03/55/395370355.db2.gz TWIBSUUZCSPBIV-GFCCVEGCSA-N 1 2 274.393 2.678 10 0 CFAELO Cc1ccc2c(c1)[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H](C)C2 ZINC000193782792 543091699 /nfs/dbraw/zinc/09/16/99/543091699.db2.gz 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174376525 /nfs/dbraw/zinc/37/65/25/174376525.db2.gz PMRKWNUQYHALAF-UHFFFAOYSA-N 1 2 261.365 2.679 10 0 CFAELO CCOC1CC[NH+](CC(=O)c2cc(F)ccc2OC)CC1 ZINC000040689748 174376610 /nfs/dbraw/zinc/37/66/10/174376610.db2.gz PXOYKQWSYFQLTG-UHFFFAOYSA-N 1 2 295.354 2.518 10 0 CFAELO CCNc1nc[nH+]c(Nc2cc(C)ccc2C)c1N ZINC000040704365 174379189 /nfs/dbraw/zinc/37/91/89/174379189.db2.gz ILLYRNSOQRQQMZ-UHFFFAOYSA-N 1 2 257.341 2.851 10 0 CFAELO CCNc1[nH+]cnc(Nc2cc(C)ccc2C)c1N ZINC000040704365 174379190 /nfs/dbraw/zinc/37/91/90/174379190.db2.gz ILLYRNSOQRQQMZ-UHFFFAOYSA-N 1 2 257.341 2.851 10 0 CFAELO CNc1[nH+]cnc(Nc2cccc3nc(C)ccc32)c1N ZINC000040707180 174379839 /nfs/dbraw/zinc/37/98/39/174379839.db2.gz CZKMYUBYAXGVHC-UHFFFAOYSA-N 1 2 280.335 2.701 10 0 CFAELO CCCNc1[nH+]cnc(Nc2ccccc2F)c1N ZINC000040707721 174380104 /nfs/dbraw/zinc/38/01/04/174380104.db2.gz OXDARBDXGBHASN-UHFFFAOYSA-N 1 2 261.304 2.763 10 0 CFAELO CCCNc1[nH+]cnc(Nc2cccnc2Cl)c1N ZINC000040707972 174380248 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/nfs/dbraw/zinc/05/67/26/175056726.db2.gz JTHYSYFWQHHGSG-UHFFFAOYSA-N 1 2 264.712 2.818 10 0 CFAELO CCOC(=O)[C@H](C[C@@H](C)c1ccccc1)[NH2+]C1CC1 ZINC000043535704 175063536 /nfs/dbraw/zinc/06/35/36/175063536.db2.gz GUKBVPYZZJQQTD-DOMZBBRYSA-N 1 2 261.365 2.864 10 0 CFAELO Fc1ccc2nc([C@@H]3[NH2+]CCc4ccccc43)[nH]c2c1 ZINC000043600661 175077545 /nfs/dbraw/zinc/07/75/45/175077545.db2.gz FZYAKOJHKUWDOJ-OAHLLOKOSA-N 1 2 267.307 2.937 10 0 CFAELO CCOC(=O)[C@@H](C)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000043614966 175079601 /nfs/dbraw/zinc/07/96/01/175079601.db2.gz BNSYSQJKGPLEIC-LBPRGKRZSA-N 1 2 260.337 2.852 10 0 CFAELO CCOC(=O)[C@H](C)[N@@H+]1CCc2sccc2[C@@H]1C ZINC000043638896 175083995 /nfs/dbraw/zinc/08/39/95/175083995.db2.gz XWUKCMJKDBGCIN-UWVGGRQHSA-N 1 2 253.367 2.619 10 0 CFAELO CCOC(=O)[C@H](C)[N@H+]1CCc2sccc2[C@@H]1C ZINC000043638896 175083996 /nfs/dbraw/zinc/08/39/96/175083996.db2.gz XWUKCMJKDBGCIN-UWVGGRQHSA-N 1 2 253.367 2.619 10 0 CFAELO CN[C@H](C[NH+]1CCC(C)CC1)c1cc(OC)ccc1OC ZINC000043806407 175108413 /nfs/dbraw/zinc/10/84/13/175108413.db2.gz CLWNBEMTCRVLMC-MRXNPFEDSA-N 1 2 292.423 2.696 10 0 CFAELO COc1ccc(C(C)=O)cc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000044477819 175178485 /nfs/dbraw/zinc/17/84/85/175178485.db2.gz ATVOZOQDQSAUEY-LBPRGKRZSA-N 1 2 291.391 2.897 10 0 CFAELO COc1ccc(C(C)=O)cc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000044477819 175178487 /nfs/dbraw/zinc/17/84/87/175178487.db2.gz ATVOZOQDQSAUEY-LBPRGKRZSA-N 1 2 291.391 2.897 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H]2CCCC[C@H]2C)c1N ZINC000044589739 175211902 /nfs/dbraw/zinc/21/19/02/175211902.db2.gz WQPFEJVMEDWYSA-KOLCDFICSA-N 1 2 265.357 2.702 10 0 CFAELO CC(C)CCc1noc([C@H]2[NH2+]CCc3sccc32)n1 ZINC000044593002 175214033 /nfs/dbraw/zinc/21/40/33/175214033.db2.gz UDELEPUMVVIQFR-ZDUSSCGKSA-N 1 2 277.393 2.955 10 0 CFAELO c1cc2c(s1)CC[NH2+][C@@H]2c1nnc(-c2ccccc2)[nH]1 ZINC000044593034 175214162 /nfs/dbraw/zinc/21/41/62/175214162.db2.gz WNCSNQIMSKSSMH-ZDUSSCGKSA-N 1 2 282.372 2.768 10 0 CFAELO Cc1nc(C[N@@H+](C)Cc2cccc(N)c2C)cs1 ZINC000044595065 175215165 /nfs/dbraw/zinc/21/51/65/175215165.db2.gz NDJJETNDZUDADI-UHFFFAOYSA-N 1 2 261.394 2.974 10 0 CFAELO Cc1nc(C[N@H+](C)Cc2cccc(N)c2C)cs1 ZINC000044595065 175215167 /nfs/dbraw/zinc/21/51/67/175215167.db2.gz NDJJETNDZUDADI-UHFFFAOYSA-N 1 2 261.394 2.974 10 0 CFAELO Cc1nc(C[N@@H+](C)Cc2ccc(N)c(C)c2)cs1 ZINC000044609961 175216352 /nfs/dbraw/zinc/21/63/52/175216352.db2.gz PITSGJYRHJHJSG-UHFFFAOYSA-N 1 2 261.394 2.974 10 0 CFAELO Cc1nc(C[N@H+](C)Cc2ccc(N)c(C)c2)cs1 ZINC000044609961 175216354 /nfs/dbraw/zinc/21/63/54/175216354.db2.gz PITSGJYRHJHJSG-UHFFFAOYSA-N 1 2 261.394 2.974 10 0 CFAELO Cc1cc(CNc2ccc3cc(N)ccc3[nH+]2)no1 ZINC000044690880 175233368 /nfs/dbraw/zinc/23/33/68/175233368.db2.gz CNKFSFVQIDPOPO-UHFFFAOYSA-N 1 2 254.293 2.726 10 0 CFAELO O=c1c2ccsc2[nH]c(=S)n1[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044727061 175238880 /nfs/dbraw/zinc/23/88/80/175238880.db2.gz ZUWSVPAWKVCPTP-VIFPVBQESA-N 1 2 293.417 2.530 10 0 CFAELO O=c1c2ccsc2[nH]c(=S)n1[C@H]1CC[N@H+](C2CC2)C1 ZINC000044727061 175238882 /nfs/dbraw/zinc/23/88/82/175238882.db2.gz ZUWSVPAWKVCPTP-VIFPVBQESA-N 1 2 293.417 2.530 10 0 CFAELO COC(=O)[C@@H](CC(C)C)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747173 175242521 /nfs/dbraw/zinc/24/25/21/175242521.db2.gz NFXGJKPWZXLCCL-JKSUJKDBSA-N 1 2 291.391 2.947 10 0 CFAELO Cc1cc(CN[C@@H](c2cccs2)c2[nH+]ccn2C)on1 ZINC000044986726 175284721 /nfs/dbraw/zinc/28/47/21/175284721.db2.gz IKLGMDXAFVAUJJ-ZDUSSCGKSA-N 1 2 288.376 2.657 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n(C2(C)CCCCC2)c1N ZINC000045046721 175295917 /nfs/dbraw/zinc/29/59/17/175295917.db2.gz HFAMQEUUQAWLCR-UHFFFAOYSA-N 1 2 265.357 2.630 10 0 CFAELO CC1([NH2+]Cc2nc(=O)c3sccc3[nH]2)CCCCC1 ZINC000045045708 175296224 /nfs/dbraw/zinc/29/62/24/175296224.db2.gz FOZCWYZQDRXRHS-UHFFFAOYSA-N 1 2 277.393 2.797 10 0 CFAELO Nc1ccc(NCCCCn2cc[nH+]c2)c2ncccc12 ZINC000045105605 175307293 /nfs/dbraw/zinc/30/72/93/175307293.db2.gz GATAHVRCZGOANW-UHFFFAOYSA-N 1 2 281.363 2.906 10 0 CFAELO CCOC(=O)[C@](C)(CCN(CC)c1cccc(C)c1)[NH2+]C ZINC000045273238 175343795 /nfs/dbraw/zinc/34/37/95/175343795.db2.gz WVMBXFFAVKLTDC-KRWDZBQOSA-N 1 2 292.423 2.753 10 0 CFAELO CCCCCCNc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000070468981 175948739 /nfs/dbraw/zinc/94/87/39/175948739.db2.gz XARBZNPTGDHZRF-UHFFFAOYSA-N 1 2 280.763 2.703 10 0 CFAELO Cc1cccnc1Cn1c(N)[nH+]c2c1cccc2F ZINC000071344637 176131446 /nfs/dbraw/zinc/13/14/46/176131446.db2.gz UJIKFBMYVVKFDC-UHFFFAOYSA-N 1 2 256.284 2.509 10 0 CFAELO C[C@H]1COC[C@H](C)N1Cc1[nH+]ccn1Cc1ccccc1 ZINC000077367180 177258711 /nfs/dbraw/zinc/25/87/11/177258711.db2.gz JFWSMYMWQBCPPY-GJZGRUSLSA-N 1 2 285.391 2.541 10 0 CFAELO C[C@H]1C[C@H]1NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000077445009 177270067 /nfs/dbraw/zinc/27/00/67/177270067.db2.gz IMQIHZQFRLHRGO-GXFFZTMASA-N 1 2 270.336 2.617 10 0 CFAELO O[C@@H]1CCC[C@@H]1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000078612533 177360465 /nfs/dbraw/zinc/36/04/65/177360465.db2.gz SQLWKCAOSAGMJN-PSASIEDQSA-N 1 2 260.259 2.673 10 0 CFAELO C[C@H](c1cccs1)[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000195084441 270250146 /nfs/dbraw/zinc/25/01/46/270250146.db2.gz WPZUWWBEBQYUIA-SNVBAGLBSA-N 1 2 276.409 2.947 10 0 CFAELO C[C@H](c1cccs1)[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000195084441 270250148 /nfs/dbraw/zinc/25/01/48/270250148.db2.gz WPZUWWBEBQYUIA-SNVBAGLBSA-N 1 2 276.409 2.947 10 0 CFAELO Cc1noc(C[NH2+][C@@H](C)c2cccc(Br)c2)n1 ZINC000038034376 270226148 /nfs/dbraw/zinc/22/61/48/270226148.db2.gz IVSJVXPFXLGCGJ-QMMMGPOBSA-N 1 2 296.168 2.991 10 0 CFAELO CCOc1ccccc1[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC000038034441 270226257 /nfs/dbraw/zinc/22/62/57/270226257.db2.gz MZKOZELNDLGHKV-SNVBAGLBSA-N 1 2 261.325 2.628 10 0 CFAELO Cc1ccc(N[C@@H]2CC(=O)N(C)c3ccccc32)c[nH+]1 ZINC000164553683 278835165 /nfs/dbraw/zinc/83/51/65/278835165.db2.gz DFLWQPYRYZSZJY-CQSZACIVSA-N 1 2 267.332 2.910 10 0 CFAELO CC[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccccc1F ZINC000180731226 288090031 /nfs/dbraw/zinc/09/00/31/288090031.db2.gz VTOGWNBSKBBSOT-KBPBESRZSA-N 1 2 274.343 2.993 10 0 CFAELO Cc1nc2n(n1)CCC[C@H]2Nc1nc(C)[nH+]c2c1CCCC2 ZINC000272847943 279137389 /nfs/dbraw/zinc/13/73/89/279137389.db2.gz JTCIRZYMIRJWPB-CQSZACIVSA-N 1 2 298.394 2.511 10 0 CFAELO C[C@H]1COC[C@H](C)[NH+]1Cc1nc2ccccc2s1 ZINC000077371171 280524258 /nfs/dbraw/zinc/52/42/58/280524258.db2.gz QDNCNJUBHFXWSZ-QWRGUYRKSA-N 1 2 262.378 2.906 10 0 CFAELO CC(=O)c1ccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)nc1 ZINC000179067809 280815622 /nfs/dbraw/zinc/81/56/22/280815622.db2.gz PMQONLVXIDRJFV-AWEZNQCLSA-N 1 2 296.374 2.618 10 0 CFAELO CCn1cc[nH+]c1C[S@](=O)C/C=C\c1ccccc1 ZINC000255393636 281097304 /nfs/dbraw/zinc/09/73/04/281097304.db2.gz MHOWHHLDVRBPPY-WMHRWZGDSA-N 1 2 274.389 2.865 10 0 CFAELO CC[C@H]1c2ccsc2CC[N@H+]1Cc1nnnn1C(C)C ZINC000195075486 288381842 /nfs/dbraw/zinc/38/18/42/288381842.db2.gz HIQHZKYYBZVRSR-LBPRGKRZSA-N 1 2 291.424 2.825 10 0 CFAELO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1nnnn1C(C)C ZINC000195075486 288381847 /nfs/dbraw/zinc/38/18/47/288381847.db2.gz HIQHZKYYBZVRSR-LBPRGKRZSA-N 1 2 291.424 2.825 10 0 CFAELO C[NH+](C)[C@@H](C(=O)N1Cc2ccccc2C1)c1ccccc1F ZINC000091646160 289272497 /nfs/dbraw/zinc/27/24/97/289272497.db2.gz VPIMGTJNWYETFD-QGZVFWFLSA-N 1 2 298.361 2.971 10 0 CFAELO Cc1csc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000127700222 293029081 /nfs/dbraw/zinc/02/90/81/293029081.db2.gz JXULXODNWPGRLB-GFCCVEGCSA-N 1 2 262.382 2.902 10 0 CFAELO Cc1csc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000127700222 293029084 /nfs/dbraw/zinc/02/90/84/293029084.db2.gz JXULXODNWPGRLB-GFCCVEGCSA-N 1 2 262.382 2.902 10 0 CFAELO Cn1cc([C@H]2CCCN2c2[nH]c3ccccc3[nH+]2)cn1 ZINC000134939637 294298071 /nfs/dbraw/zinc/29/80/71/294298071.db2.gz RZRSYUJGMZMDSL-CQSZACIVSA-N 1 2 267.336 2.638 10 0 CFAELO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000090223247 295399698 /nfs/dbraw/zinc/39/96/98/295399698.db2.gz LENOVIFSFXZQTJ-SMDDNHRTSA-N 1 2 286.379 2.781 10 0 CFAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCCc2occc21 ZINC000193016170 302678548 /nfs/dbraw/zinc/67/85/48/302678548.db2.gz YGRNIHPUVLQUTQ-CHWSQXEVSA-N 1 2 272.352 2.682 10 0 CFAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCCc2occc21 ZINC000193016198 302678625 /nfs/dbraw/zinc/67/86/25/302678625.db2.gz YGRNIHPUVLQUTQ-QWHCGFSZSA-N 1 2 272.352 2.682 10 0 CFAELO CC(C)n1nnnc1C[N@H+](C)CCC1CCCCC1 ZINC000170652162 322391737 /nfs/dbraw/zinc/39/17/37/322391737.db2.gz DVXZGRFKOTXEBM-UHFFFAOYSA-N 1 2 265.405 2.656 10 0 CFAELO CC(C)n1nnnc1C[N@@H+](C)CCC1CCCCC1 ZINC000170652162 322391740 /nfs/dbraw/zinc/39/17/40/322391740.db2.gz DVXZGRFKOTXEBM-UHFFFAOYSA-N 1 2 265.405 2.656 10 0 CFAELO CCCNc1snnc1C[NH+](CCC)CCC ZINC000050792705 520203442 /nfs/dbraw/zinc/20/34/42/520203442.db2.gz ZWGOKYXURBEIFT-UHFFFAOYSA-N 1 2 256.419 2.982 10 0 CFAELO CCc1[nH+]c(-c2c(Cl)cccc2Cl)c(N)n1N ZINC000052838697 522138128 /nfs/dbraw/zinc/13/81/28/522138128.db2.gz AZLXUZGPSHCZDD-UHFFFAOYSA-N 1 2 271.151 2.715 10 0 CFAELO CC[C@@H](C)[NH2+][C@@H](C(=O)OC)c1ccc(F)cc1C ZINC000050580283 522234125 /nfs/dbraw/zinc/23/41/25/522234125.db2.gz LPKBMKPZBCFGHN-ZWNOBZJWSA-N 1 2 253.317 2.736 10 0 CFAELO CCC[C@](C)([NH2+]Cc1cccs1)C(=O)OCC ZINC000037966965 517616957 /nfs/dbraw/zinc/61/69/57/517616957.db2.gz LXBIQCUIYCPOPL-ZDUSSCGKSA-N 1 2 255.383 2.960 10 0 CFAELO CC(=O)Nc1cc(NCc2c[nH+]c(C)[nH]2)ccc1C ZINC000054822110 519706935 /nfs/dbraw/zinc/70/69/35/519706935.db2.gz BCGZNUQYQSJIFI-UHFFFAOYSA-N 1 2 258.325 2.597 10 0 CFAELO CC(=O)Nc1cc(NCc2c[nH]c(C)[nH+]2)ccc1C ZINC000054822110 519706936 /nfs/dbraw/zinc/70/69/36/519706936.db2.gz BCGZNUQYQSJIFI-UHFFFAOYSA-N 1 2 258.325 2.597 10 0 CFAELO CC(C)c1cc(N)nc(-c2ccc3c(c2)CCO3)[nH+]1 ZINC000050867063 519832891 /nfs/dbraw/zinc/83/28/91/519832891.db2.gz FYKFGEWFTMQSCU-UHFFFAOYSA-N 1 2 255.321 2.784 10 0 CFAELO CC(C)n1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)n1 ZINC000172013263 520000703 /nfs/dbraw/zinc/00/07/03/520000703.db2.gz IIXRORNEAXVABN-UHFFFAOYSA-N 1 2 273.384 2.567 10 0 CFAELO CCCNc1nc(C[C@H]2CCCO2)[nH+]c(C)c1CC ZINC000050849737 520188104 /nfs/dbraw/zinc/18/81/04/520188104.db2.gz QPNXKAUUQAEZQI-GFCCVEGCSA-N 1 2 263.385 2.891 10 0 CFAELO CCCNc1nc2ccccc2cc1C[NH+]1CCOCC1 ZINC000050792202 520189000 /nfs/dbraw/zinc/18/90/00/520189000.db2.gz OIYHPWOYUBABJK-UHFFFAOYSA-N 1 2 285.391 2.889 10 0 CFAELO CC[NH2+][C@H](CCOC1CCC(C)CC1)C(=O)OCC ZINC000062544163 520191565 /nfs/dbraw/zinc/19/15/65/520191565.db2.gz DNGMOJWDOUELGH-JXQTWKCFSA-N 1 2 271.401 2.513 10 0 CFAELO CC[NH2+][C@H](c1nnc([C@@H]2C[C@@H]2C)o1)c1ccccc1 ZINC000050618092 520212439 /nfs/dbraw/zinc/21/24/39/520212439.db2.gz BMTIWJFAXJRRKN-UHTWSYAYSA-N 1 2 257.337 2.892 10 0 CFAELO CCCCC[C@@H](C)CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173763767 520276021 /nfs/dbraw/zinc/27/60/21/520276021.db2.gz PIGFQUUYIPIXBU-HZPDHXFCSA-N 1 2 296.455 2.526 10 0 CFAELO CCNc1ccc(COc2ccc(CO)cc2)c[nH+]1 ZINC000050833423 520304833 /nfs/dbraw/zinc/30/48/33/520304833.db2.gz DSEQOHKXVVGIRD-UHFFFAOYSA-N 1 2 258.321 2.585 10 0 CFAELO CCNc1snnc1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000050792822 520388134 /nfs/dbraw/zinc/38/81/34/520388134.db2.gz FHQUTRVPIXBFKK-AOOOYVTPSA-N 1 2 254.403 2.733 10 0 CFAELO CCNc1snnc1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000050792822 520388139 /nfs/dbraw/zinc/38/81/39/520388139.db2.gz FHQUTRVPIXBFKK-AOOOYVTPSA-N 1 2 254.403 2.733 10 0 CFAELO CCCCSCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045546546 520958558 /nfs/dbraw/zinc/95/85/58/520958558.db2.gz MKVOOMNSDFMBEC-ZDUSSCGKSA-N 1 2 261.431 2.841 10 0 CFAELO CCOC(=O)[C@@H](C)[NH2+][C@H](c1cccs1)C(C)C ZINC000049371419 521028749 /nfs/dbraw/zinc/02/87/49/521028749.db2.gz SDZPJGCJZHFUQL-PWSUYJOCSA-N 1 2 255.383 2.986 10 0 CFAELO CCOC(=O)[C@@H](C)[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000049370998 521029443 /nfs/dbraw/zinc/02/94/43/521029443.db2.gz PVYDBXUQZZNWDA-BXUZGUMPSA-N 1 2 277.364 2.614 10 0 CFAELO CCOC(=O)[C@@H](C)Nc1cc(C)[nH+]c2ccccc12 ZINC000049374232 521030575 /nfs/dbraw/zinc/03/05/75/521030575.db2.gz BLHAPDOAXODIBN-LLVKDONJSA-N 1 2 258.321 2.907 10 0 CFAELO CCOC(=O)[C@@H](CSc1ccc(Cl)cc1)[NH2+]C ZINC000045555054 521066983 /nfs/dbraw/zinc/06/69/83/521066983.db2.gz FGEINEJGJPFDTK-LLVKDONJSA-N 1 2 273.785 2.583 10 0 CFAELO CCC[C@H]([NH2+][C@@H](CC)COC)C(=O)OC(C)(C)C ZINC000157503085 521170886 /nfs/dbraw/zinc/17/08/86/521170886.db2.gz UKRGCYLZBDPMIV-RYUDHWBXSA-N 1 2 259.390 2.511 10 0 CFAELO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000049367600 521212960 /nfs/dbraw/zinc/21/29/60/521212960.db2.gz NSBHVPLTXVXFFU-XHDPSFHLSA-N 1 2 277.364 2.614 10 0 CFAELO CCOC(=O)[C@H](C)[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000049367608 521213784 /nfs/dbraw/zinc/21/37/84/521213784.db2.gz NSBHVPLTXVXFFU-NHYWBVRUSA-N 1 2 277.364 2.614 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H](C)CCC(C)C)c1N ZINC000069235948 521597866 /nfs/dbraw/zinc/59/78/66/521597866.db2.gz PLAGRWBZJUGRRW-JTQLQIEISA-N 1 2 267.373 2.948 10 0 CFAELO CCc1ccccc1[C@@H]([NH2+]C1CCCC1)C(=O)OC ZINC000052204549 521933016 /nfs/dbraw/zinc/93/30/16/521933016.db2.gz IFYFRZLSQBHFDE-OAHLLOKOSA-N 1 2 261.365 2.995 10 0 CFAELO CNc1nc(-c2ccc3c(c2)OCCO3)[nH+]c(C)c1C ZINC000050865926 522677337 /nfs/dbraw/zinc/67/73/37/522677337.db2.gz YQZLBSNUSSPDET-UHFFFAOYSA-N 1 2 271.320 2.573 10 0 CFAELO CNc1nc(Cc2ccc(OC)cc2)[nH+]c(C)c1C ZINC000050864141 522685584 /nfs/dbraw/zinc/68/55/84/522685584.db2.gz JPVLTPPLIHPWBF-UHFFFAOYSA-N 1 2 257.337 2.735 10 0 CFAELO COC1CC[NH+](Cc2nc3sccc3c(Cl)n2)CC1 ZINC000050839950 522707140 /nfs/dbraw/zinc/70/71/40/522707140.db2.gz NXXOWWZUPFZKCU-UHFFFAOYSA-N 1 2 297.811 2.956 10 0 CFAELO CNc1snnc1C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000050815483 522731031 /nfs/dbraw/zinc/73/10/31/522731031.db2.gz NMYXFOHIIQKMMU-NXEZZACHSA-N 1 2 254.403 2.590 10 0 CFAELO CNc1snnc1C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000050815483 522731038 /nfs/dbraw/zinc/73/10/38/522731038.db2.gz NMYXFOHIIQKMMU-NXEZZACHSA-N 1 2 254.403 2.590 10 0 CFAELO COC(=O)CCSCc1cc2ccccc2[nH+]c1N ZINC000050838414 523107442 /nfs/dbraw/zinc/10/74/42/523107442.db2.gz LZFCCZSAIXKGCO-UHFFFAOYSA-N 1 2 276.361 2.613 10 0 CFAELO CN(Cc1ccc(Cl)cc1)c1cccc(CO)[nH+]1 ZINC000051041941 523228258 /nfs/dbraw/zinc/22/82/58/523228258.db2.gz OTILWGHJSHHZGZ-UHFFFAOYSA-N 1 2 262.740 2.864 10 0 CFAELO CCn1cc[nH+]c1CSc1ccc(F)cc1N ZINC000054743647 523543909 /nfs/dbraw/zinc/54/39/09/523543909.db2.gz BFLSWDGVEAEKDF-UHFFFAOYSA-N 1 2 251.330 2.917 10 0 CFAELO CN(c1cc[nH+]c(C(N)=S)c1)C1CCCCCC1 ZINC000061812653 523659827 /nfs/dbraw/zinc/65/98/27/523659827.db2.gz DBRJZCFKHPLNND-UHFFFAOYSA-N 1 2 263.410 2.875 10 0 CFAELO CCc1c(C)[nH+]c(-c2ccc3c(c2)CCN3C)nc1N ZINC000050866546 523707788 /nfs/dbraw/zinc/70/77/88/523707788.db2.gz JXEPLQSDNDZOCH-UHFFFAOYSA-N 1 2 268.364 2.589 10 0 CFAELO CCc1c(C)[nH+]c(Cc2ccccc2OC)nc1NC ZINC000050849418 523711296 /nfs/dbraw/zinc/71/12/96/523711296.db2.gz BJQSGYRDXJFCSN-UHFFFAOYSA-N 1 2 271.364 2.989 10 0 CFAELO COC(=O)[C@H]([NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000050506511 523924564 /nfs/dbraw/zinc/92/45/64/523924564.db2.gz LRLZBEHIFXCSGC-OAHLLOKOSA-N 1 2 259.349 2.679 10 0 CFAELO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)[NH+](C)C ZINC000095532624 523938374 /nfs/dbraw/zinc/93/83/74/523938374.db2.gz CRHWRVXUISTHED-JTQLQIEISA-N 1 2 262.136 2.769 10 0 CFAELO Cc1ccc(CCC(=O)Nc2ccc(N)[nH+]c2)cc1 ZINC000061680248 524302459 /nfs/dbraw/zinc/30/24/59/524302459.db2.gz ZDCGBUZQWWUYFT-UHFFFAOYSA-N 1 2 255.321 2.544 10 0 CFAELO Cc1cccc(CCC(=O)Nc2cc[nH+]cc2N)c1 ZINC000062725795 524349303 /nfs/dbraw/zinc/34/93/03/524349303.db2.gz GKWIRQCFPKAVAZ-UHFFFAOYSA-N 1 2 255.321 2.544 10 0 CFAELO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nnnn2C(C)C)c1 ZINC000195101118 524854436 /nfs/dbraw/zinc/85/44/36/524854436.db2.gz JLHBHWGSZZKTNL-HNNXBMFYSA-N 1 2 285.395 2.900 10 0 CFAELO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nnnn2C(C)C)c1 ZINC000195101118 524854449 /nfs/dbraw/zinc/85/44/49/524854449.db2.gz JLHBHWGSZZKTNL-HNNXBMFYSA-N 1 2 285.395 2.900 10 0 CFAELO Cc1cccc([C@H]2CCC[N@H+]2Cc2nnnn2C(C)C)c1 ZINC000195101128 524898710 /nfs/dbraw/zinc/89/87/10/524898710.db2.gz JLHBHWGSZZKTNL-OAHLLOKOSA-N 1 2 285.395 2.900 10 0 CFAELO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nnnn2C(C)C)c1 ZINC000195101128 524898716 /nfs/dbraw/zinc/89/87/16/524898716.db2.gz JLHBHWGSZZKTNL-OAHLLOKOSA-N 1 2 285.395 2.900 10 0 CFAELO C[C@@H](Cn1cc[nH+]c1)n1c(=O)c2ccccc2[nH]c1=S ZINC000049236538 524963785 /nfs/dbraw/zinc/96/37/85/524963785.db2.gz JABHYQPIWAJTSP-JTQLQIEISA-N 1 2 286.360 2.517 10 0 CFAELO C[C@@H](Cn1cc[nH+]c1)Nc1ccc2cc(N)ccc2n1 ZINC000049234780 524964808 /nfs/dbraw/zinc/96/48/08/524964808.db2.gz NONPJIQAVPHPTJ-NSHDSACASA-N 1 2 267.336 2.514 10 0 CFAELO Cc1cccc2nc(C[N@H+]3CCC[C@@H]3c3cnn(C)c3)cn21 ZINC000171412005 524977999 /nfs/dbraw/zinc/97/79/99/524977999.db2.gz LHHBEVLRWPNTII-MRXNPFEDSA-N 1 2 295.390 2.713 10 0 CFAELO Cc1cccc2nc(C[N@@H+]3CCC[C@@H]3c3cnn(C)c3)cn21 ZINC000171412005 524978007 /nfs/dbraw/zinc/97/80/07/524978007.db2.gz LHHBEVLRWPNTII-MRXNPFEDSA-N 1 2 295.390 2.713 10 0 CFAELO Cc1cc([NH3+])ccc1N(CCO)Cc1ccccc1 ZINC000050515620 525036260 /nfs/dbraw/zinc/03/62/60/525036260.db2.gz NINDYYFZTDEERY-UHFFFAOYSA-N 1 2 256.349 2.576 10 0 CFAELO Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155765360 525412110 /nfs/dbraw/zinc/41/21/10/525412110.db2.gz BQKYWIMZSIKZRV-UONOGXRCSA-N 1 2 283.375 2.631 10 0 CFAELO Cc1ccc(-c2[nH+]c(C(C)(C)C)n(N)c2N)c(C)c1 ZINC000052839714 525802599 /nfs/dbraw/zinc/80/25/99/525802599.db2.gz KBUNAHYZUVNYDG-UHFFFAOYSA-N 1 2 258.369 2.760 10 0 CFAELO Cc1ccc([C@H](C)Nc2cc[nH+]c(C(N)=S)c2)o1 ZINC000061812917 525949558 /nfs/dbraw/zinc/94/95/58/525949558.db2.gz NXOCLAZKFQRRRK-VIFPVBQESA-N 1 2 261.350 2.790 10 0 CFAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(Br)cn2)o1 ZINC000231528242 526158190 /nfs/dbraw/zinc/15/81/90/526158190.db2.gz PWSQLKLBFFBYNJ-VIFPVBQESA-N 1 2 296.168 2.991 10 0 CFAELO Cc1csc([C@H]2C[N@H+]([C@H](C)c3ccccn3)CCO2)n1 ZINC000246379381 526445284 /nfs/dbraw/zinc/44/52/84/526445284.db2.gz OQJOWICQFGLNNL-TZMCWYRMSA-N 1 2 289.404 2.981 10 0 CFAELO Cc1csc([C@H]2C[N@@H+]([C@H](C)c3ccccn3)CCO2)n1 ZINC000246379381 526445294 /nfs/dbraw/zinc/44/52/94/526445294.db2.gz OQJOWICQFGLNNL-TZMCWYRMSA-N 1 2 289.404 2.981 10 0 CFAELO Cc1[nH+]c(-c2ccc3c(c2)CCCN3C)nc(N)c1C ZINC000050867511 526579707 /nfs/dbraw/zinc/57/97/07/526579707.db2.gz YYSUBTQDXPANAQ-UHFFFAOYSA-N 1 2 268.364 2.725 10 0 CFAELO Cc1nc(-c2nccc3ccccc32)[nH+]c(NN)c1C ZINC000069316051 526625286 /nfs/dbraw/zinc/62/52/86/526625286.db2.gz HOBXELIAGKFFHE-UHFFFAOYSA-N 1 2 265.320 2.594 10 0 CFAELO NC(=S)c1cc(Nc2ccc(F)c(F)c2)cc[nH+]1 ZINC000061812112 527116781 /nfs/dbraw/zinc/11/67/81/527116781.db2.gz QODNKMALRNZLKY-UHFFFAOYSA-N 1 2 265.288 2.738 10 0 CFAELO NC(=S)c1cc2c([nH+]c1NC1CCC1)CCCC2 ZINC000052211807 527117794 /nfs/dbraw/zinc/11/77/94/527117794.db2.gz JRVJHMSPUMPNLC-UHFFFAOYSA-N 1 2 261.394 2.559 10 0 CFAELO NNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)[nH+]1 ZINC000051089668 527283565 /nfs/dbraw/zinc/28/35/65/527283565.db2.gz QQMGTDCEAHQHLG-UHFFFAOYSA-N 1 2 296.252 2.638 10 0 CFAELO Nc1ccc(NC(=O)c2ccc(Cl)s2)c[nH+]1 ZINC000061680224 527493734 /nfs/dbraw/zinc/49/37/34/527493734.db2.gz APGPQNBFYWPOLZ-UHFFFAOYSA-N 1 2 253.714 2.631 10 0 CFAELO Nc1ccc(NC(=O)c2ccccc2C(F)(F)F)c[nH+]1 ZINC000061680473 527494781 /nfs/dbraw/zinc/49/47/81/527494781.db2.gz PPQNWXFXESNYCS-UHFFFAOYSA-N 1 2 281.237 2.935 10 0 CFAELO Nc1ccc(SCCCn2cc[nH+]c2)c(F)c1 ZINC000049328360 527500733 /nfs/dbraw/zinc/50/07/33/527500733.db2.gz HBFMOZLYRKSPIB-UHFFFAOYSA-N 1 2 251.330 2.787 10 0 CFAELO Nc1nc(C[N@@H+]2CCc3ccccc3C2)nc2sccc21 ZINC000050792721 527551383 /nfs/dbraw/zinc/55/13/83/527551383.db2.gz YKMOKUCGHSCTSU-UHFFFAOYSA-N 1 2 296.399 2.832 10 0 CFAELO Nc1nc(C[N@H+]2CCc3ccccc3C2)nc2sccc21 ZINC000050792721 527551386 /nfs/dbraw/zinc/55/13/86/527551386.db2.gz YKMOKUCGHSCTSU-UHFFFAOYSA-N 1 2 296.399 2.832 10 0 CFAELO OCc1cccc(N2CC[C@@H](c3ccccc3)C2)[nH+]1 ZINC000051042501 527636805 /nfs/dbraw/zinc/63/68/05/527636805.db2.gz ZOILCVKVRPCQBI-CQSZACIVSA-N 1 2 254.333 2.568 10 0 CFAELO CC[C@@H]([NH2+][C@H]1CCCc2cc(F)ccc21)C(=O)OC ZINC000192862030 529207444 /nfs/dbraw/zinc/20/74/44/529207444.db2.gz RZVMJPDSFHJSNL-KGLIPLIRSA-N 1 2 265.328 2.744 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(CC(C)C)CC(C)C)C2 ZINC000220571739 545511639 /nfs/dbraw/zinc/51/16/39/545511639.db2.gz DUXCGSCZZSEPJW-CQSZACIVSA-N 1 2 291.439 2.964 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N(CC(C)C)CC(C)C)CC2 ZINC000220571739 545511645 /nfs/dbraw/zinc/51/16/45/545511645.db2.gz DUXCGSCZZSEPJW-CQSZACIVSA-N 1 2 291.439 2.964 10 0 CFAELO O=Cc1cccc(-c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000031997280 617678379 /nfs/dbraw/zinc/67/83/79/617678379.db2.gz VWRIFVHUUOENSH-UHFFFAOYSA-N 1 2 281.355 2.998 10 0 CFAELO C/C(=C/C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000255108243 617963457 /nfs/dbraw/zinc/96/34/57/617963457.db2.gz MELXLVFPPAHKJE-MLRPBERTSA-N 1 2 295.386 2.978 10 0 CFAELO C[C@H]1C[C@H](C)CN(c2noc([C@H]([NH3+])c3ccccc3)n2)C1 ZINC000757120632 630869300 /nfs/dbraw/zinc/86/93/00/630869300.db2.gz BWHTYVKPZRGCLH-SGMGOOAPSA-N 1 2 286.379 2.600 10 0 CFAELO CCC[C@@H]([NH2+]C[C@H]1CCC=CO1)C(=O)OC(C)(C)C ZINC000191119782 650479759 /nfs/dbraw/zinc/47/97/59/650479759.db2.gz OOVPEJHPRUBUSB-CHWSQXEVSA-N 1 2 269.385 2.779 10 0 CFAELO COCCCNc1nc(N2CCCC2)[nH+]c2ccccc21 ZINC000096195199 650986818 /nfs/dbraw/zinc/98/68/18/650986818.db2.gz JYXFNMBXOVQXKE-UHFFFAOYSA-N 1 2 286.379 2.678 10 0 CFAELO CC[NH+](CC)CC(=O)Oc1c(C)cccc1Cl ZINC000095787583 185027755 /nfs/dbraw/zinc/02/77/55/185027755.db2.gz MLVMJMOFVRDLGK-UHFFFAOYSA-N 1 2 255.745 2.896 10 0 CFAELO Cn1cc[nH+]c1-c1ccc(F)c(Br)c1 ZINC000082556889 178094514 /nfs/dbraw/zinc/09/45/14/178094514.db2.gz YCIXGNCPGAOLER-UHFFFAOYSA-N 1 2 255.090 2.989 10 0 CFAELO CC[C@@H](O)c1c[nH+]c2cc(Br)ccn21 ZINC000082695010 178190685 /nfs/dbraw/zinc/19/06/85/178190685.db2.gz LSJPCDVXTALJGW-SECBINFHSA-N 1 2 255.115 2.540 10 0 CFAELO CC[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)C(=O)OC ZINC000192862019 529671188 /nfs/dbraw/zinc/67/11/88/529671188.db2.gz RZVMJPDSFHJSNL-KBPBESRZSA-N 1 2 265.328 2.744 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(C)c(F)c1)C2 ZINC000220601191 539365474 /nfs/dbraw/zinc/36/54/74/539365474.db2.gz WMVQWTBCYFXYPM-NSHDSACASA-N 1 2 287.338 2.909 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(C)c(F)c1)CC2 ZINC000220601191 539365476 /nfs/dbraw/zinc/36/54/76/539365476.db2.gz WMVQWTBCYFXYPM-NSHDSACASA-N 1 2 287.338 2.909 10 0 CFAELO c1coc([C@H]2CCC[N@H+]2Cc2nc(C3CC3)no2)c1 ZINC000116289512 232194441 /nfs/dbraw/zinc/19/44/41/232194441.db2.gz LHGKKCPAYPPFJS-LLVKDONJSA-N 1 2 259.309 2.877 10 0 CFAELO c1coc([C@H]2CCC[N@@H+]2Cc2nc(C3CC3)no2)c1 ZINC000116289512 232194443 /nfs/dbraw/zinc/19/44/43/232194443.db2.gz LHGKKCPAYPPFJS-LLVKDONJSA-N 1 2 259.309 2.877 10 0 CFAELO CCCC[C@H](C)NC(=O)OCCCc1c[nH+]c[nH]1 ZINC000013793895 346233444 /nfs/dbraw/zinc/23/34/44/346233444.db2.gz BOAJEIFQZOFOCK-NSHDSACASA-N 1 2 253.346 2.647 10 0 CFAELO CCCC[C@H](C)NC(=O)OCCCc1c[nH]c[nH+]1 ZINC000013793895 346233447 /nfs/dbraw/zinc/23/34/47/346233447.db2.gz BOAJEIFQZOFOCK-NSHDSACASA-N 1 2 253.346 2.647 10 0 CFAELO Cc1csc([C@@H](C)[NH2+][C@H](C)c2nccnc2C)n1 ZINC000187939265 232443257 /nfs/dbraw/zinc/44/32/57/232443257.db2.gz YHPANLVTHLAIRH-GHMZBOCLSA-N 1 2 262.382 2.962 10 0 CFAELO COC(=O)[C@@H]1CCCC[N@@H+]1CCOc1cc(C)cc(C)c1 ZINC000105980072 347730552 /nfs/dbraw/zinc/73/05/52/347730552.db2.gz VULLZDCIDYYZFK-INIZCTEOSA-N 1 2 291.391 2.710 10 0 CFAELO COC(=O)[C@@H]1CCCC[N@H+]1CCOc1cc(C)cc(C)c1 ZINC000105980072 347730554 /nfs/dbraw/zinc/73/05/54/347730554.db2.gz VULLZDCIDYYZFK-INIZCTEOSA-N 1 2 291.391 2.710 10 0 CFAELO Clc1ccc2ncc(OCC[NH+]3CCOCC3)cc2c1 ZINC000118346230 347796697 /nfs/dbraw/zinc/79/66/97/347796697.db2.gz MZWUFXGGDJZYKH-UHFFFAOYSA-N 1 2 292.766 2.599 10 0 CFAELO Cn1cc[nH+]c1-c1cccc(I)c1 ZINC000086789387 179333748 /nfs/dbraw/zinc/33/37/48/179333748.db2.gz PHZUSAKMIUEYDV-UHFFFAOYSA-N 1 2 284.100 2.692 10 0 CFAELO Cc1ccc(NC(=O)C(C)(C)Br)c(C)[nH+]1 ZINC000162825717 348032206 /nfs/dbraw/zinc/03/22/06/348032206.db2.gz BMLUQMQMNYZQQY-UHFFFAOYSA-N 1 2 271.158 2.810 10 0 CFAELO Cc1c(N)c[nH+]c(N[C@H]2C[C@@H]2C)c1Br ZINC000167021646 348044478 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539753207 /nfs/dbraw/zinc/75/32/07/539753207.db2.gz DWJDBUUSAYTBQD-JTQLQIEISA-N 1 2 273.311 2.601 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(F)cc1)CC2 ZINC000220590947 539753210 /nfs/dbraw/zinc/75/32/10/539753210.db2.gz DWJDBUUSAYTBQD-JTQLQIEISA-N 1 2 273.311 2.601 10 0 CFAELO CCCc1noc(Cn2c(C)[nH+]c3ccccc32)n1 ZINC000106095208 186100982 /nfs/dbraw/zinc/10/09/82/186100982.db2.gz WJOSTTNIBUUSBU-UHFFFAOYSA-N 1 2 256.309 2.729 10 0 CFAELO CCn1cc[nH+]c1Cn1cc(-c2ccccc2)cn1 ZINC000106436380 186116817 /nfs/dbraw/zinc/11/68/17/186116817.db2.gz NIIRUOCTTIXMIG-UHFFFAOYSA-N 1 2 252.321 2.815 10 0 CFAELO CC(C)N1c2ccccc2NC[C@@H]1c1cc[nH+]c(N)c1 ZINC000616584461 352375513 /nfs/dbraw/zinc/37/55/13/352375513.db2.gz GEPYWMXYMSGUAE-OAHLLOKOSA-N 1 2 268.364 2.876 10 0 CFAELO CCOC(=O)c1ccccc1[C@@H]1COCC[N@@H+]1C(C)C ZINC000616641157 352396636 /nfs/dbraw/zinc/39/66/36/352396636.db2.gz BVPAFYSNKXAJHT-HNNXBMFYSA-N 1 2 277.364 2.645 10 0 CFAELO CCOC(=O)c1ccccc1[C@@H]1COCC[N@H+]1C(C)C ZINC000616641157 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Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000536624352 394563416 /nfs/dbraw/zinc/56/34/16/394563416.db2.gz JVYGWLMYIFYEON-SCZZXKLOSA-N 1 2 250.371 2.597 10 0 CFAELO C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(Cl)s1 ZINC000186908302 543055979 /nfs/dbraw/zinc/05/59/79/543055979.db2.gz OSXQECZJCDPMLW-MRVPVSSYSA-N 1 2 283.784 2.555 10 0 CFAELO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnnn2-c2ccccc2)o1 ZINC000123380976 292196522 /nfs/dbraw/zinc/19/65/22/292196522.db2.gz WEYSEPNECLCLBY-CHWSQXEVSA-N 1 2 297.362 2.976 10 0 CFAELO C[C@@H](COCc1ccccc1)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000367596363 156356933 /nfs/dbraw/zinc/35/69/33/156356933.db2.gz PEQYPEALPHBRQI-XJKSGUPXSA-N 1 2 285.391 2.982 10 0 CFAELO CN(C(=O)CSc1ccc(N)[nH+]c1)C1CCCCC1 ZINC000037192282 173020899 /nfs/dbraw/zinc/02/08/99/173020899.db2.gz KRVIVRQDKPKNBK-UHFFFAOYSA-N 1 2 279.409 2.547 10 0 CFAELO C[C@@H](N[C@H](c1ccco1)c1[nH+]ccn1C)c1ccccn1 ZINC000037218860 173037303 /nfs/dbraw/zinc/03/73/03/173037303.db2.gz GYAMJPLTISEQIF-IUODEOHRSA-N 1 2 282.347 2.848 10 0 CFAELO COC(=O)C(C)(C)[NH2+][C@@H](c1cccs1)C(C)C ZINC000037304423 173108786 /nfs/dbraw/zinc/10/87/86/173108786.db2.gz KREZYWAKDSDAPB-LLVKDONJSA-N 1 2 255.383 2.986 10 0 CFAELO COc1c(C)c[nH+]c(COc2ccc(O)cc2)c1C ZINC000037324179 173124994 /nfs/dbraw/zinc/12/49/94/173124994.db2.gz MCNNTUXHSKERBQ-UHFFFAOYSA-N 1 2 259.305 2.992 10 0 CFAELO CC1(C)C[N@H+](CCCC(=O)c2cccs2)CCO1 ZINC000037328974 173129153 /nfs/dbraw/zinc/12/91/53/173129153.db2.gz HOYFXYCFEPSWIP-UHFFFAOYSA-N 1 2 267.394 2.822 10 0 CFAELO CC1(C)C[N@@H+](CCCC(=O)c2cccs2)CCO1 ZINC000037328974 173129154 /nfs/dbraw/zinc/12/91/54/173129154.db2.gz HOYFXYCFEPSWIP-UHFFFAOYSA-N 1 2 267.394 2.822 10 0 CFAELO CC[NH2+][C@](C)(C(=O)OC)c1ccc2ccccc2c1 ZINC000037446784 173214041 /nfs/dbraw/zinc/21/40/41/173214041.db2.gz QACPJTLGLYOEDJ-INIZCTEOSA-N 1 2 257.333 2.838 10 0 CFAELO C[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1cccnc1 ZINC000037488582 173230685 /nfs/dbraw/zinc/23/06/85/173230685.db2.gz JRLKNIFTICLLFK-ZDUSSCGKSA-N 1 2 254.333 2.785 10 0 CFAELO C[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cccnc1 ZINC000037488582 173230687 /nfs/dbraw/zinc/23/06/87/173230687.db2.gz JRLKNIFTICLLFK-ZDUSSCGKSA-N 1 2 254.333 2.785 10 0 CFAELO CCC[NH2+][C@@]1(C(=O)OC)CCCCc2ccccc21 ZINC000037513282 173244360 /nfs/dbraw/zinc/24/43/60/173244360.db2.gz LRNARAFSUZHBGH-INIZCTEOSA-N 1 2 261.365 2.781 10 0 CFAELO CCOC(=O)[C@H]([NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000037514888 173246604 /nfs/dbraw/zinc/24/66/04/173246604.db2.gz DQKGKGKLUWCVAT-SECBINFHSA-N 1 2 279.283 2.861 10 0 CFAELO COC(=O)[C@H]([NH2+][C@H](c1ccc(OC)cc1)C1CC1)C(C)C ZINC000040217186 174205551 /nfs/dbraw/zinc/20/55/51/174205551.db2.gz BVYIQSRDIRBXOK-CVEARBPZSA-N 1 2 291.391 2.934 10 0 CFAELO Cn1ncc2c1nc[nH+]c2NCc1cc2c(s1)CCC2 ZINC000040627878 174356792 /nfs/dbraw/zinc/35/67/92/174356792.db2.gz QIVOGVUYPIGVPA-UHFFFAOYSA-N 1 2 285.376 2.526 10 0 CFAELO CCc1ccc(-c2[nH]c([C@H]3C[C@H](OC)C[NH2+]3)nc2C)cc1 ZINC000040637784 174361823 /nfs/dbraw/zinc/36/18/23/174361823.db2.gz 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UVSVJOGCBKDZJD-IRXDYDNUSA-N 1 2 291.366 2.581 10 0 CFAELO O=C(Cc1ccc(F)cc1)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043426512 175040541 /nfs/dbraw/zinc/04/05/41/175040541.db2.gz UVSVJOGCBKDZJD-IRXDYDNUSA-N 1 2 291.366 2.581 10 0 CFAELO CC(C)OC(=O)C[NH2+][C@H](c1cccs1)C(C)C ZINC000043446532 175048133 /nfs/dbraw/zinc/04/81/33/175048133.db2.gz BWZKVZWSDCZJFH-ZDUSSCGKSA-N 1 2 255.383 2.986 10 0 CFAELO Cc1ccc([C@@H]([NH3+])c2ccc(Br)o2)o1 ZINC000043609862 175078408 /nfs/dbraw/zinc/07/84/08/175078408.db2.gz XFVUAIHMJDNDJI-SNVBAGLBSA-N 1 2 256.099 2.992 10 0 CFAELO CCOC(=O)C[C@@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000043617992 175080173 /nfs/dbraw/zinc/08/01/73/175080173.db2.gz LQQOKPSCEASRLQ-LLVKDONJSA-N 1 2 250.342 2.506 10 0 CFAELO CCOC(=O)C[C@@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000043617992 175080175 /nfs/dbraw/zinc/08/01/75/175080175.db2.gz LQQOKPSCEASRLQ-LLVKDONJSA-N 1 2 250.342 2.506 10 0 CFAELO COc1ccccc1[C@H](O)C[NH+]1CCCCCCC1 ZINC000044125204 175143961 /nfs/dbraw/zinc/14/39/61/175143961.db2.gz FZIKMLXYIFYGJG-OAHLLOKOSA-N 1 2 263.381 2.995 10 0 CFAELO COC(=O)[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000044136366 175145979 /nfs/dbraw/zinc/14/59/79/175145979.db2.gz STXDBEKVBLXZBK-CMPLNLGQSA-N 1 2 287.281 2.714 10 0 CFAELO CCOc1ccc([C@@H](C)O)cc1C[N@@H+]1CCOCC1(C)C ZINC000044178319 175150545 /nfs/dbraw/zinc/15/05/45/175150545.db2.gz DGLGYGJCIVCASW-CYBMUJFWSA-N 1 2 293.407 2.749 10 0 CFAELO CCOc1ccc([C@@H](C)O)cc1C[N@H+]1CCOCC1(C)C ZINC000044178319 175150546 /nfs/dbraw/zinc/15/05/46/175150546.db2.gz DGLGYGJCIVCASW-CYBMUJFWSA-N 1 2 293.407 2.749 10 0 CFAELO CN(C)c1nc(N)cc(-c2ccc(Br)cc2)[nH+]1 ZINC000044263169 175157178 /nfs/dbraw/zinc/15/71/78/175157178.db2.gz DJAMQXLGRGKDLW-UHFFFAOYSA-N 1 2 293.168 2.554 10 0 CFAELO CN(C)c1nc(N)cc(-c2ccccc2Br)[nH+]1 ZINC000044263201 175157292 /nfs/dbraw/zinc/15/72/92/175157292.db2.gz NADXSDWZFCVEEK-UHFFFAOYSA-N 1 2 293.168 2.554 10 0 CFAELO Cc1cccc(-c2cc(N)nc(N3CCCC3)[nH+]2)c1 ZINC000044263369 175157407 /nfs/dbraw/zinc/15/74/07/175157407.db2.gz XXAJQMDVACCMPM-UHFFFAOYSA-N 1 2 254.337 2.634 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n(C2CCCCCC2)c1N ZINC000044590441 175212186 /nfs/dbraw/zinc/21/21/86/175212186.db2.gz XJQBBEMXUNSORY-UHFFFAOYSA-N 1 2 265.357 2.846 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H](C)[C@H](C)CC)c1N ZINC000044591060 175212333 /nfs/dbraw/zinc/21/23/33/175212333.db2.gz IVWOJWYODDRZDR-RKDXNWHRSA-N 1 2 253.346 2.558 10 0 CFAELO c1cc2c(s1)CC[NH2+][C@H]2c1nc(Cc2ccccc2)no1 ZINC000044592937 175214082 /nfs/dbraw/zinc/21/40/82/175214082.db2.gz YFWXTXBTRQPHII-OAHLLOKOSA-N 1 2 297.383 2.957 10 0 CFAELO Fc1ccc2nc([C@H]3[NH2+]CCc4sccc43)[nH]c2c1 ZINC000044592868 175214141 /nfs/dbraw/zinc/21/41/41/175214141.db2.gz IDQOQJLRMONPFS-ZDUSSCGKSA-N 1 2 273.336 2.999 10 0 CFAELO C[C@@H](O)CNc1[nH+]c2ccccc2n1-c1ccccc1 ZINC000044787293 175254230 /nfs/dbraw/zinc/25/42/30/175254230.db2.gz VUCZLTROCGVKFN-GFCCVEGCSA-N 1 2 267.332 2.818 10 0 CFAELO COC(=O)c1cc(N)ccc1[N@H+](C)CC(C)(C)C ZINC000045091923 175305660 /nfs/dbraw/zinc/30/56/60/175305660.db2.gz JWXBPDFUXHLPLZ-UHFFFAOYSA-N 1 2 250.342 2.538 10 0 CFAELO COC(=O)c1cc(N)ccc1[N@@H+](C)CC(C)(C)C ZINC000045091923 175305663 /nfs/dbraw/zinc/30/56/63/175305663.db2.gz JWXBPDFUXHLPLZ-UHFFFAOYSA-N 1 2 250.342 2.538 10 0 CFAELO Cc1cc([NH3+])ccc1NCc1ccc(S(C)(=O)=O)cc1 ZINC000045173551 175322636 /nfs/dbraw/zinc/32/26/36/175322636.db2.gz CJKBCVQSWZIHBC-UHFFFAOYSA-N 1 2 290.388 2.593 10 0 CFAELO CC[NH2+][C@@](C)(CN(CC)c1ccccc1C)C(=O)OCC ZINC000045223002 175331336 /nfs/dbraw/zinc/33/13/36/175331336.db2.gz GZRMGOSSBDELIN-KRWDZBQOSA-N 1 2 292.423 2.753 10 0 CFAELO CCC[NH2+][C@](C)(CN(CC)c1ccccc1)C(=O)OCC ZINC000045232080 175335425 /nfs/dbraw/zinc/33/54/25/175335425.db2.gz MSFIBJBMVAMAKC-QGZVFWFLSA-N 1 2 292.423 2.834 10 0 CFAELO O[C@H]1CCCC[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000078612369 177359770 /nfs/dbraw/zinc/35/97/70/177359770.db2.gz MXKVXJDJEUJKJU-ZJUUUORDSA-N 1 2 260.259 2.816 10 0 CFAELO O[C@H]1CCC[C@H]1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000078612524 177360382 /nfs/dbraw/zinc/36/03/82/177360382.db2.gz SQLWKCAOSAGMJN-WPRPVWTQSA-N 1 2 260.259 2.673 10 0 CFAELO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000392380089 270306888 /nfs/dbraw/zinc/30/68/88/270306888.db2.gz REZUMFRXBHEFFF-GHMZBOCLSA-N 1 2 274.368 2.924 10 0 CFAELO C[C@@H]([NH2+]Cc1cnn[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000398325486 270322098 /nfs/dbraw/zinc/32/20/98/270322098.db2.gz OJGBCLMQYGSWSH-SSDOTTSWSA-N 1 2 271.151 2.962 10 0 CFAELO CC(C)c1nc2c(n1C)CC[N@H+](C[C@H]1CCC=CO1)C2 ZINC000193921836 278075463 /nfs/dbraw/zinc/07/54/63/278075463.db2.gz FDBVILXVHQQMIN-CYBMUJFWSA-N 1 2 275.396 2.594 10 0 CFAELO CC(C)c1nc2c(n1C)CC[N@@H+](C[C@H]1CCC=CO1)C2 ZINC000193921836 278075465 /nfs/dbraw/zinc/07/54/65/278075465.db2.gz FDBVILXVHQQMIN-CYBMUJFWSA-N 1 2 275.396 2.594 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@H]1CCC=CO1)C2 ZINC000193921836 278075467 /nfs/dbraw/zinc/07/54/67/278075467.db2.gz FDBVILXVHQQMIN-CYBMUJFWSA-N 1 2 275.396 2.594 10 0 CFAELO CC(C)c1nnc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)n1C ZINC000246189848 278099225 /nfs/dbraw/zinc/09/92/25/278099225.db2.gz VHWKXPKQCUAPNA-CHWSQXEVSA-N 1 2 294.468 2.799 10 0 CFAELO CC(C)c1nnc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)n1C ZINC000246189848 278099226 /nfs/dbraw/zinc/09/92/26/278099226.db2.gz VHWKXPKQCUAPNA-CHWSQXEVSA-N 1 2 294.468 2.799 10 0 CFAELO CCCCn1c2ccccc2nc1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000067605539 278741462 /nfs/dbraw/zinc/74/14/62/278741462.db2.gz QTJKQGZBZRJHKW-INIZCTEOSA-N 1 2 295.390 2.795 10 0 CFAELO O=NN1CCN2c3[nH+]cccc3Cc3ccccc3[C@@H]2C1 ZINC000503939041 280335096 /nfs/dbraw/zinc/33/50/96/280335096.db2.gz ZOXURUHFWRWDGR-HNNXBMFYSA-N 1 2 280.331 2.531 10 0 CFAELO C[C@H]1CC[C@H](C(=O)Nc2c[nH+]ccc2OC(C)(C)C)O1 ZINC000131940862 280724772 /nfs/dbraw/zinc/72/47/72/280724772.db2.gz AUBSTKLWXBJNOY-GXFFZTMASA-N 1 2 278.352 2.765 10 0 CFAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCCc2occc21 ZINC000192947979 281525511 /nfs/dbraw/zinc/52/55/11/281525511.db2.gz YXXNABGLRGGZMN-CHWSQXEVSA-N 1 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10 0 CFAELO CC[NH2+][C@@](C)(CCO[C@@H]1CCCC[C@@H]1C)C(=O)OCC ZINC000045477667 520135007 /nfs/dbraw/zinc/13/50/07/520135007.db2.gz MSYMEXMLWWMPOJ-LZWOXQAQSA-N 1 2 285.428 2.903 10 0 CFAELO CCCNc1snnc1C[N@H+](CC)[C@H](C)CC ZINC000050813109 520201702 /nfs/dbraw/zinc/20/17/02/520201702.db2.gz CRLYRMNLXSINIW-SNVBAGLBSA-N 1 2 256.419 2.980 10 0 CFAELO CCCNc1snnc1C[N@@H+](CC)[C@H](C)CC ZINC000050813109 520201709 /nfs/dbraw/zinc/20/17/09/520201709.db2.gz CRLYRMNLXSINIW-SNVBAGLBSA-N 1 2 256.419 2.980 10 0 CFAELO CCCNc1snnc1C[N@H+](C)CCC(C)C ZINC000050817659 520201817 /nfs/dbraw/zinc/20/18/17/520201817.db2.gz PSIBEQDSOZYWQU-UHFFFAOYSA-N 1 2 256.419 2.838 10 0 CFAELO CCCNc1snnc1C[N@@H+](C)CCC(C)C ZINC000050817659 520201823 /nfs/dbraw/zinc/20/18/23/520201823.db2.gz PSIBEQDSOZYWQU-UHFFFAOYSA-N 1 2 256.419 2.838 10 0 CFAELO CCOC(=O)[C@@](C)(CCSc1ccccn1)[NH2+]C1CC1 ZINC000045581857 521147545 /nfs/dbraw/zinc/14/75/45/521147545.db2.gz ACGFAGJIXJHVLC-OAHLLOKOSA-N 1 2 294.420 2.638 10 0 CFAELO CCOC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(CC)s1 ZINC000049370679 521212312 /nfs/dbraw/zinc/21/23/12/521212312.db2.gz UGAIGALDLXHPPU-ZJUUUORDSA-N 1 2 255.383 2.913 10 0 CFAELO CC[C@@H](C)CNc1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000054474780 522001310 /nfs/dbraw/zinc/00/13/10/522001310.db2.gz XLJHAKDEBRAGOQ-SECBINFHSA-N 1 2 263.410 2.663 10 0 CFAELO CC(C)(C)NC(=O)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195367734 518727244 /nfs/dbraw/zinc/72/72/44/518727244.db2.gz XICRQGCBQKMHDX-NSHDSACASA-N 1 2 281.425 2.585 10 0 CFAELO CC(C)(C)NC(=O)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000195367734 518727249 /nfs/dbraw/zinc/72/72/49/518727249.db2.gz XICRQGCBQKMHDX-NSHDSACASA-N 1 2 281.425 2.585 10 0 CFAELO CC(C)c1ccc(NC(=O)c2cccc(NN)[nH+]2)cc1 ZINC000051092006 519837763 /nfs/dbraw/zinc/83/77/63/519837763.db2.gz LZISORQNVRUBJR-UHFFFAOYSA-N 1 2 270.336 2.743 10 0 CFAELO CCC[NH2+][C@@H](CCSCc1ccco1)C(=O)OCC ZINC000062596446 520004961 /nfs/dbraw/zinc/00/49/61/520004961.db2.gz XOEOKLXDQULGJZ-ZDUSSCGKSA-N 1 2 285.409 2.834 10 0 CFAELO CC(C)n1cc[nH+]c1CSc1nncn1C1CC1 ZINC000195517318 520033216 /nfs/dbraw/zinc/03/32/16/520033216.db2.gz APHKICLOCVLCCE-UHFFFAOYSA-N 1 2 263.370 2.683 10 0 CFAELO CC[NH2+][C@@H](CCO[C@H]1CCCC[C@@H]1CC)C(=O)OC ZINC000062543234 520090029 /nfs/dbraw/zinc/09/00/29/520090029.db2.gz OXDHVRPUNVVKLY-IHRRRGAJSA-N 1 2 271.401 2.513 10 0 CFAELO CC(C)n1nnnc1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000195024518 520144543 /nfs/dbraw/zinc/14/45/43/520144543.db2.gz LPPATUHDJSRVGZ-JTQLQIEISA-N 1 2 279.775 2.758 10 0 CFAELO CCCNc1ccc(C[N@@H+]2CCOC[C@H]2CC)cn1 ZINC000050814189 520156733 /nfs/dbraw/zinc/15/67/33/520156733.db2.gz PCXQXUJHKOKALW-CQSZACIVSA-N 1 2 263.385 2.514 10 0 CFAELO CCCNc1ccc(C[N@H+]2CCOC[C@H]2CC)cn1 ZINC000050814189 520156741 /nfs/dbraw/zinc/15/67/41/520156741.db2.gz PCXQXUJHKOKALW-CQSZACIVSA-N 1 2 263.385 2.514 10 0 CFAELO CCCNc1ccc(Cn2cc(Cl)cn2)c[nH+]1 ZINC000050829765 520165001 /nfs/dbraw/zinc/16/50/01/520165001.db2.gz HDDZPMOAYIXVFR-UHFFFAOYSA-N 1 2 250.733 2.802 10 0 CFAELO CCNc1[nH+]c2cc(OC)ccc2cc1CSCCO ZINC000050838705 520359566 /nfs/dbraw/zinc/35/95/66/520359566.db2.gz PXCPEESYZFDHCB-UHFFFAOYSA-N 1 2 292.404 2.901 10 0 CFAELO CCNc1snnc1Cn1cc[nH+]c1-c1ccccc1 ZINC000050829809 520390079 /nfs/dbraw/zinc/39/00/79/520390079.db2.gz LFHUYIFSLOEDTB-UHFFFAOYSA-N 1 2 285.376 2.882 10 0 CFAELO CCOc1cc(-c2nc(NC)c(C)c(C)[nH+]2)ccc1O ZINC000050865896 520613838 /nfs/dbraw/zinc/61/38/38/520613838.db2.gz QARPODJCYGZNOO-UHFFFAOYSA-N 1 2 273.336 2.906 10 0 CFAELO CCOC(=O)[C@@](C)([NH3+])COc1ccc(C)cc1C(C)(C)C ZINC000045508909 521152312 /nfs/dbraw/zinc/15/23/12/521152312.db2.gz XFJOBVLWJTWJLD-KRWDZBQOSA-N 1 2 293.407 2.952 10 0 CFAELO CCOC(=O)[C@](C)(COC1CCCCC1)[NH2+]C(C)C ZINC000045505175 521319748 /nfs/dbraw/zinc/31/97/48/521319748.db2.gz JTKNVKLKYDMOEM-HNNXBMFYSA-N 1 2 271.401 2.656 10 0 CFAELO CCCCc1noc(C[NH+]2CCC(c3cc[nH]n3)CC2)n1 ZINC000195507725 521332705 /nfs/dbraw/zinc/33/27/05/521332705.db2.gz WYJYHVOSUWECQX-UHFFFAOYSA-N 1 2 289.383 2.515 10 0 CFAELO CCCc1cc(N)nc(-c2ccc(OC)c(C)c2)[nH+]1 ZINC000050866675 521366044 /nfs/dbraw/zinc/36/60/44/521366044.db2.gz ZHWUEFLTNZAKAL-UHFFFAOYSA-N 1 2 257.337 2.995 10 0 CFAELO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000182568945 521625147 /nfs/dbraw/zinc/62/51/47/521625147.db2.gz DVBARTBKJCGQIG-NSHDSACASA-N 1 2 262.357 2.749 10 0 CFAELO CCN1CCC[C@@H]([NH2+]Cc2cccc(O)c2Cl)C1 ZINC000328283965 521625513 /nfs/dbraw/zinc/62/55/13/521625513.db2.gz ZIPIBRNSFVCMGC-GFCCVEGCSA-N 1 2 268.788 2.620 10 0 CFAELO COc1cc(-c2nc(N)cc(C(C)C)[nH+]2)ccc1O ZINC000050866986 521903372 /nfs/dbraw/zinc/90/33/72/521903372.db2.gz YVKUXKSIJFHOJI-UHFFFAOYSA-N 1 2 259.309 2.563 10 0 CFAELO CCc1[nH+]c(-c2ccc3ccccc3c2)c(N)n1N ZINC000052838823 522148250 /nfs/dbraw/zinc/14/82/50/522148250.db2.gz FXTXMQGFWIPSRZ-UHFFFAOYSA-N 1 2 252.321 2.562 10 0 CFAELO CC[C@@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195367693 522158968 /nfs/dbraw/zinc/15/89/68/522158968.db2.gz AUIGGJHHGHPFLC-VXGBXAGGSA-N 1 2 281.425 2.585 10 0 CFAELO CC[C@@H](C)NC(=O)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195367693 522158973 /nfs/dbraw/zinc/15/89/73/522158973.db2.gz AUIGGJHHGHPFLC-VXGBXAGGSA-N 1 2 281.425 2.585 10 0 CFAELO C[NH2+][C@H](c1nnc(CCC(C)C)o1)c1ccccc1 ZINC000050618005 522487007 /nfs/dbraw/zinc/48/70/07/522487007.db2.gz GDTGEZJJHXBQNB-AWEZNQCLSA-N 1 2 259.353 2.967 10 0 CFAELO CNc1nc(-c2ccc(O)cc2)[nH+]c2c1CCCC2 ZINC000050865385 522674327 /nfs/dbraw/zinc/67/43/27/522674327.db2.gz HRPZZPSVGZFKFG-UHFFFAOYSA-N 1 2 255.321 2.770 10 0 CFAELO CNc1nc(-c2ccc3c(c2)CCO3)[nH+]c2c1CCCC2 ZINC000050865393 522676860 /nfs/dbraw/zinc/67/68/60/522676860.db2.gz PHWGXTGGDIYPNF-UHFFFAOYSA-N 1 2 281.359 2.999 10 0 CFAELO CNc1nc(C[N@H+](C)Cc2ccncc2)nc2sccc21 ZINC000050814030 522680024 /nfs/dbraw/zinc/68/00/24/522680024.db2.gz JSRGIPTWGIZHHW-UHFFFAOYSA-N 1 2 299.403 2.760 10 0 CFAELO CNc1nc(C[N@@H+](C)Cc2ccncc2)nc2sccc21 ZINC000050814030 522680025 /nfs/dbraw/zinc/68/00/25/522680025.db2.gz JSRGIPTWGIZHHW-UHFFFAOYSA-N 1 2 299.403 2.760 10 0 CFAELO COCc1cccc(-n2c(N)[nH+]c3c2cccc3F)c1 ZINC000049510294 523023337 /nfs/dbraw/zinc/02/33/37/523023337.db2.gz LCFBHKXBYCIHCW-UHFFFAOYSA-N 1 2 271.295 2.893 10 0 CFAELO COc1ccc(-c2nc(N)cc(C(C)C)[nH+]2)cc1OC ZINC000050846555 523218618 /nfs/dbraw/zinc/21/86/18/523218618.db2.gz SIGIUNZNWHAPJO-UHFFFAOYSA-N 1 2 273.336 2.866 10 0 CFAELO COc1ccc(-c2nc(N)c3c([nH+]2)CCCC3)cc1OC ZINC000050846830 523218663 /nfs/dbraw/zinc/21/86/63/523218663.db2.gz VKTGSGXNQLWGBB-UHFFFAOYSA-N 1 2 285.347 2.622 10 0 CFAELO CCc1c(C)[nH+]c(-c2ccc3c(c2)CCO3)nc1NC ZINC000050864810 523707156 /nfs/dbraw/zinc/70/71/56/523707156.db2.gz FBXOHMKYPKYBIB-UHFFFAOYSA-N 1 2 269.348 2.991 10 0 CFAELO CCc1c(C)[nH+]c(-c2ccc3c(c2)OCO3)nc1NC ZINC000050864805 523710726 /nfs/dbraw/zinc/71/07/26/523710726.db2.gz OMXWQMZLUCYFQI-UHFFFAOYSA-N 1 2 271.320 2.785 10 0 CFAELO CCc1cc(N)nc(Cc2ccc(Br)cc2)[nH+]1 ZINC000050846249 523789350 /nfs/dbraw/zinc/78/93/50/523789350.db2.gz KCVRWBODDAKAPU-UHFFFAOYSA-N 1 2 292.180 2.975 10 0 CFAELO CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000191978699 523811815 /nfs/dbraw/zinc/81/18/15/523811815.db2.gz XYPYVNVLVIXLHE-CQSZACIVSA-N 1 2 293.411 2.709 10 0 CFAELO CCc1cc(NC)nc(-c2ccc(OC)c(OC)c2)[nH+]1 ZINC000050850953 523819461 /nfs/dbraw/zinc/81/94/61/523819461.db2.gz GPIIXPRLFPEQRH-UHFFFAOYSA-N 1 2 273.336 2.765 10 0 CFAELO Cc1ccc2sc(N[C@@H](C)C[NH+]3CCOCC3)nc2c1 ZINC000049510335 524101820 /nfs/dbraw/zinc/10/18/20/524101820.db2.gz OELPHSORUUCVHL-LBPRGKRZSA-N 1 2 291.420 2.737 10 0 CFAELO C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCCCC1)Cn1cc[nH+]c1 ZINC000245415921 524443031 /nfs/dbraw/zinc/44/30/31/524443031.db2.gz HAUIQLZFIQHLCU-VNQPRFMTSA-N 1 2 289.423 2.852 10 0 CFAELO Cc1ccc(CNc2cc[nH+]c(C(N)=S)c2)s1 ZINC000061813267 524619681 /nfs/dbraw/zinc/61/96/81/524619681.db2.gz LHBNGQBJEKAWAC-UHFFFAOYSA-N 1 2 263.391 2.698 10 0 CFAELO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C(F)(F)F)cn1 ZINC000049236027 524794661 /nfs/dbraw/zinc/79/46/61/524794661.db2.gz YBPJKASIMOETEU-SECBINFHSA-N 1 2 270.258 2.798 10 0 CFAELO Cc1ccc(N(C)c2cc[nH+]c(C(N)=S)c2)cc1 ZINC000061813262 524889793 /nfs/dbraw/zinc/88/97/93/524889793.db2.gz KKNNASAMLWUXQD-UHFFFAOYSA-N 1 2 257.362 2.792 10 0 CFAELO C[C@@H](Cc1ccsc1)Nc1cc(C(N)=S)cc[nH+]1 ZINC000049186073 524941465 /nfs/dbraw/zinc/94/14/65/524941465.db2.gz PSEHSPWMYVRHEB-VIFPVBQESA-N 1 2 277.418 2.820 10 0 CFAELO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2N)[C@H](C)CO1 ZINC000050442921 524994858 /nfs/dbraw/zinc/99/48/58/524994858.db2.gz CACLRNIFKFBWCA-NXEZZACHSA-N 1 2 254.761 2.531 10 0 CFAELO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2N)[C@H](C)CO1 ZINC000050442921 524994866 /nfs/dbraw/zinc/99/48/66/524994866.db2.gz CACLRNIFKFBWCA-NXEZZACHSA-N 1 2 254.761 2.531 10 0 CFAELO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCS[C@@H](C)C2)c(F)c1 ZINC000246086843 525211644 /nfs/dbraw/zinc/21/16/44/525211644.db2.gz FOBYRIRLSOFHPZ-RYUDHWBXSA-N 1 2 296.411 2.898 10 0 CFAELO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCS[C@@H](C)C2)c(F)c1 ZINC000246086843 525211654 /nfs/dbraw/zinc/21/16/54/525211654.db2.gz FOBYRIRLSOFHPZ-RYUDHWBXSA-N 1 2 296.411 2.898 10 0 CFAELO C[C@@H](NC(=O)c1ccoc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173928482 525367181 /nfs/dbraw/zinc/36/71/81/525367181.db2.gz NTHCYCAWGXGYAQ-GFCCVEGCSA-N 1 2 281.315 2.956 10 0 CFAELO Cc1cccnc1-c1nc(C)c(C(C)C)c(NN)[nH+]1 ZINC000061689040 525475576 /nfs/dbraw/zinc/47/55/76/525475576.db2.gz JAOKJRUECMOCRT-UHFFFAOYSA-N 1 2 257.341 2.564 10 0 CFAELO CSCC[N@@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195439084 525505264 /nfs/dbraw/zinc/50/52/64/525505264.db2.gz OZZMPCIFYVAOCI-SNVBAGLBSA-N 1 2 255.387 2.693 10 0 CFAELO CSCC[N@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195439084 525505274 /nfs/dbraw/zinc/50/52/74/525505274.db2.gz OZZMPCIFYVAOCI-SNVBAGLBSA-N 1 2 255.387 2.693 10 0 CFAELO Cc1ccc([C@@H](C)Nc2cc(C(N)=S)cc[nH+]2)o1 ZINC000049224770 525750183 /nfs/dbraw/zinc/75/01/83/525750183.db2.gz LVZSUQXIQRFAFX-SECBINFHSA-N 1 2 261.350 2.790 10 0 CFAELO CSc1ccc(-c2nc(N)c3c([nH+]2)CCC3)cc1 ZINC000050866123 525947432 /nfs/dbraw/zinc/94/74/32/525947432.db2.gz 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/nfs/dbraw/zinc/42/36/57/526423657.db2.gz BMTRFXYUFNCORS-ZDUSSCGKSA-N 1 2 284.425 2.640 10 0 CFAELO Cc1csc([C@@H]2C[N@@H+](CCCOC(C)C)CCO2)n1 ZINC000171500849 526423662 /nfs/dbraw/zinc/42/36/62/526423662.db2.gz BMTRFXYUFNCORS-ZDUSSCGKSA-N 1 2 284.425 2.640 10 0 CFAELO c1csc(-c2n[nH]c([C@H]3[NH2+]CCc4sccc43)n2)c1 ZINC000054700135 526574176 /nfs/dbraw/zinc/57/41/76/526574176.db2.gz UQUPKNRWWBYCNZ-NSHDSACASA-N 1 2 288.401 2.830 10 0 CFAELO O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@@H]1c1ccco1 ZINC000172241594 526738986 /nfs/dbraw/zinc/73/89/86/526738986.db2.gz QOBPOWIKXSAOPG-CYBMUJFWSA-N 1 2 281.315 2.905 10 0 CFAELO NC(=S)c1cc(N[C@H]2C[C@H]2c2ccccc2)cc[nH+]1 ZINC000061813194 527116359 /nfs/dbraw/zinc/11/63/59/527116359.db2.gz ZSXOWMACGPGNNO-STQMWFEESA-N 1 2 269.373 2.684 10 0 CFAELO Cc1nc2cc(N[C@H](C)Cn3cc[nH+]c3)c(N)cc2s1 ZINC000049234779 527131560 /nfs/dbraw/zinc/13/15/60/527131560.db2.gz GGRIXBCVVIAKQO-SECBINFHSA-N 1 2 287.392 2.884 10 0 CFAELO O=C(Cc1ccccc1)C[NH+]1Cc2ccccc2C1 ZINC000050911724 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277.364 2.645 10 0 CFAELO CCOC(=O)N1CC[C@H](n2cc[nH+]c2)c2ccccc21 ZINC000616676297 352408479 /nfs/dbraw/zinc/40/84/79/352408479.db2.gz YVEFWRPNKQPQSS-ZDUSSCGKSA-N 1 2 271.320 2.839 10 0 CFAELO CC(C)N1C[C@@H](c2ccc(N)[nH+]c2)Nc2ccccc21 ZINC000616681839 352411030 /nfs/dbraw/zinc/41/10/30/352411030.db2.gz XAWWMDUDFQHCKY-AWEZNQCLSA-N 1 2 268.364 2.876 10 0 CFAELO CCOC(=O)N1c2ccccc2NC[C@H]1c1[nH]cc[nH+]1 ZINC000616686264 352412854 /nfs/dbraw/zinc/41/28/54/352412854.db2.gz JXOPVONLSYDNAE-LBPRGKRZSA-N 1 2 272.308 2.539 10 0 CFAELO c1cc([C@H]2CCOCC[N@H+]2Cc2ccccc2)no1 ZINC000616660281 352402830 /nfs/dbraw/zinc/40/28/30/352402830.db2.gz VPFWWNVJZSWISE-OAHLLOKOSA-N 1 2 258.321 2.638 10 0 CFAELO c1cc([C@H]2CCOCC[N@@H+]2Cc2ccccc2)no1 ZINC000616660281 352402832 /nfs/dbraw/zinc/40/28/32/352402832.db2.gz VPFWWNVJZSWISE-OAHLLOKOSA-N 1 2 258.321 2.638 10 0 CFAELO COC(=O)N1c2ccccc2CC[C@H]1c1ccc(N)[nH+]c1 ZINC000616668099 352405602 /nfs/dbraw/zinc/40/56/02/352405602.db2.gz QOJHPILDKZZCOM-AWEZNQCLSA-N 1 2 283.331 2.754 10 0 CFAELO Cc1cnc([C@H](C)[NH2+]Cc2cncc(Cl)c2)o1 ZINC000621278797 353314852 /nfs/dbraw/zinc/31/48/52/353314852.db2.gz YPTZYIMTXSVMSP-VIFPVBQESA-N 1 2 251.717 2.882 10 0 CFAELO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2cnn[nH]2)cc1 ZINC000294913919 199244641 /nfs/dbraw/zinc/24/46/41/199244641.db2.gz FZCOFJSPBWZMJR-GFCCVEGCSA-N 1 2 274.368 2.690 10 0 CFAELO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2c[nH]nn2)cc1 ZINC000294913919 199244642 /nfs/dbraw/zinc/24/46/42/199244642.db2.gz FZCOFJSPBWZMJR-GFCCVEGCSA-N 1 2 274.368 2.690 10 0 CFAELO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2cn[nH]n2)cc1 ZINC000294913919 199244644 /nfs/dbraw/zinc/24/46/44/199244644.db2.gz FZCOFJSPBWZMJR-GFCCVEGCSA-N 1 2 274.368 2.690 10 0 CFAELO Cn1cncc1C[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000177043216 189023320 /nfs/dbraw/zinc/02/33/20/189023320.db2.gz LENDBAGMHBAVFK-INIZCTEOSA-N 1 2 285.391 2.772 10 0 CFAELO Cn1cncc1C[N@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000177043216 189023321 /nfs/dbraw/zinc/02/33/21/189023321.db2.gz LENDBAGMHBAVFK-INIZCTEOSA-N 1 2 285.391 2.772 10 0 CFAELO Cn1c[nH+]cc1CN1C[C@@H](c2ccccc2)OCC1(C)C ZINC000177043216 189023322 /nfs/dbraw/zinc/02/33/22/189023322.db2.gz LENDBAGMHBAVFK-INIZCTEOSA-N 1 2 285.391 2.772 10 0 CFAELO Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1C ZINC000177767250 189068107 /nfs/dbraw/zinc/06/81/07/189068107.db2.gz NIUSQOHDNZBGCS-MRXNPFEDSA-N 1 2 283.375 2.805 10 0 CFAELO Cc1ccsc1C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177765302 189067763 /nfs/dbraw/zinc/06/77/63/189067763.db2.gz DPMHJGYVUWSFOS-GFCCVEGCSA-N 1 2 275.377 2.558 10 0 CFAELO CC[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccccc1F ZINC000180731206 189272414 /nfs/dbraw/zinc/27/24/14/189272414.db2.gz VTOGWNBSKBBSOT-ZIAGYGMSSA-N 1 2 274.343 2.993 10 0 CFAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1ccc(C)cc1C ZINC000184165029 189378371 /nfs/dbraw/zinc/37/83/71/189378371.db2.gz HMGPECPKSWOAJB-INIZCTEOSA-N 1 2 290.407 2.743 10 0 CFAELO CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1ccc(C)cc1C ZINC000184165029 189378372 /nfs/dbraw/zinc/37/83/72/189378372.db2.gz HMGPECPKSWOAJB-INIZCTEOSA-N 1 2 290.407 2.743 10 0 CFAELO CCOCC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301872557 201241719 /nfs/dbraw/zinc/24/17/19/201241719.db2.gz JFEJVAIUIHGDIK-UHFFFAOYSA-N 1 2 259.353 2.816 10 0 CFAELO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000073104775 291326074 /nfs/dbraw/zinc/32/60/74/291326074.db2.gz RDADRZSALITPLP-INIZCTEOSA-N 1 2 284.359 2.762 10 0 CFAELO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000073104775 291326079 /nfs/dbraw/zinc/32/60/79/291326079.db2.gz RDADRZSALITPLP-INIZCTEOSA-N 1 2 284.359 2.762 10 0 CFAELO CC1CC[NH+](Cc2cc(Br)no2)CC1 ZINC000276570658 193384732 /nfs/dbraw/zinc/38/47/32/193384732.db2.gz MXWFKHZQOSTWQK-UHFFFAOYSA-N 1 2 259.147 2.669 10 0 CFAELO O=C1O[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2N1C1CCCC1 ZINC000019770179 372184176 /nfs/dbraw/zinc/18/41/76/372184176.db2.gz WVHXPXBBLBZFAJ-UONOGXRCSA-N 1 2 292.404 2.696 10 0 CFAELO O=C1O[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2N1C1CCCC1 ZINC000019770179 372184183 /nfs/dbraw/zinc/18/41/83/372184183.db2.gz WVHXPXBBLBZFAJ-UONOGXRCSA-N 1 2 292.404 2.696 10 0 CFAELO CC(=O)Nc1ccc(Sc2ccc(N)[nH+]c2)cc1 ZINC000019869392 372201754 /nfs/dbraw/zinc/20/17/54/372201754.db2.gz MDKWSWATJYQABQ-UHFFFAOYSA-N 1 2 259.334 2.773 10 0 CFAELO COC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)c1cccs1 ZINC000036980858 372620807 /nfs/dbraw/zinc/62/08/07/372620807.db2.gz AKGWQQWJZOLVPQ-GHMZBOCLSA-N 1 2 255.383 2.986 10 0 CFAELO CCC(=O)N1CCN(c2[nH+]c3ccccc3cc2C)CC1 ZINC000062608540 373761116 /nfs/dbraw/zinc/76/11/16/373761116.db2.gz DQRXFYYWILLTFS-UHFFFAOYSA-N 1 2 283.375 2.602 10 0 CFAELO CCc1nc(C[NH2+][C@@H](CO)c2ccccc2)cs1 ZINC000063002106 373780326 /nfs/dbraw/zinc/78/03/26/373780326.db2.gz LUVKDDLEUQMCDT-ZDUSSCGKSA-N 1 2 262.378 2.529 10 0 CFAELO COc1ccc(-c2nc(N3CCC(=O)CC3)cc(C)[nH+]2)cc1 ZINC000070452052 374177873 /nfs/dbraw/zinc/17/78/73/374177873.db2.gz CTLFXYNMDRSGLM-UHFFFAOYSA-N 1 2 297.358 2.630 10 0 CFAELO C[C@@H](NC(=O)N1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000075539266 374491763 /nfs/dbraw/zinc/49/17/63/374491763.db2.gz MBMDUJSJTGMNJZ-CYBMUJFWSA-N 1 2 284.363 2.739 10 0 CFAELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000075682151 374500147 /nfs/dbraw/zinc/50/01/47/374500147.db2.gz UTKXOUGLEPPKIV-ZDUSSCGKSA-N 1 2 295.814 2.616 10 0 CFAELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000075682151 374500151 /nfs/dbraw/zinc/50/01/51/374500151.db2.gz UTKXOUGLEPPKIV-ZDUSSCGKSA-N 1 2 295.814 2.616 10 0 CFAELO c1csc(C[N@@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000092831945 375163348 /nfs/dbraw/zinc/16/33/48/375163348.db2.gz YBKRSCLKFASELL-NSHDSACASA-N 1 2 266.391 2.778 10 0 CFAELO c1csc(C[N@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000092831945 375163353 /nfs/dbraw/zinc/16/33/53/375163353.db2.gz YBKRSCLKFASELL-NSHDSACASA-N 1 2 266.391 2.778 10 0 CFAELO C[C@H]([NH2+]Cc1nccc(N)n1)c1ccc(Cl)s1 ZINC000097111466 375523217 /nfs/dbraw/zinc/52/32/17/375523217.db2.gz YZPUVROUFKQZHT-ZETCQYMHSA-N 1 2 268.773 2.625 10 0 CFAELO CCC(O)(CC)CNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000110380124 375829475 /nfs/dbraw/zinc/82/94/75/375829475.db2.gz DOJVSCOBRHUJEG-ZDUSSCGKSA-N 1 2 292.427 2.676 10 0 CFAELO CCC(O)(CC)CNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000110380124 375829480 /nfs/dbraw/zinc/82/94/80/375829480.db2.gz DOJVSCOBRHUJEG-ZDUSSCGKSA-N 1 2 292.427 2.676 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1ccncc1)C2 ZINC000112712447 375953026 /nfs/dbraw/zinc/95/30/26/375953026.db2.gz LRTVALMFYGNEEG-UHFFFAOYSA-N 1 2 299.378 2.529 10 0 CFAELO Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114202262 376053247 /nfs/dbraw/zinc/05/32/47/376053247.db2.gz PNZZVHVKXPTZGS-INIZCTEOSA-N 1 2 298.390 2.884 10 0 CFAELO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114202262 376053254 /nfs/dbraw/zinc/05/32/54/376053254.db2.gz PNZZVHVKXPTZGS-INIZCTEOSA-N 1 2 298.390 2.884 10 0 CFAELO Cc1cc(NC(=O)N[C@@H]2COc3ccccc32)cc[nH+]1 ZINC000119249163 376378399 /nfs/dbraw/zinc/37/83/99/376378399.db2.gz YJJTYBFOSSUDAL-CYBMUJFWSA-N 1 2 269.304 2.645 10 0 CFAELO CS[C@@H](C)CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000120907956 376719214 /nfs/dbraw/zinc/71/92/14/376719214.db2.gz WSGQGCPZUZOJDZ-NSHDSACASA-N 1 2 295.452 2.570 10 0 CFAELO CCOCCN1CC[N@@H+](Cc2ccsc2)C[C@@H]1CC ZINC000121017563 376744939 /nfs/dbraw/zinc/74/49/39/376744939.db2.gz IYICICWEYDMJHR-HNNXBMFYSA-N 1 2 282.453 2.681 10 0 CFAELO COC(=O)c1coc(C[NH2+][C@H](C)c2ccc(C)o2)c1 ZINC000130468453 377564337 /nfs/dbraw/zinc/56/43/37/377564337.db2.gz QHHUBTLFEIIAEU-SNVBAGLBSA-N 1 2 263.293 2.818 10 0 CFAELO CC[C@@](C)(CCO)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000131830505 377765290 /nfs/dbraw/zinc/76/52/90/377765290.db2.gz JITQFUXJGPMSSZ-INIZCTEOSA-N 1 2 286.379 2.810 10 0 CFAELO CC[C@H]1CCN(c2nc(NC)c(Br)c[nH+]2)C1 ZINC000133259577 377917750 /nfs/dbraw/zinc/91/77/50/377917750.db2.gz YVDHBVUBCNPBSC-QMMMGPOBSA-N 1 2 285.189 2.517 10 0 CFAELO Cc1csc(C[S@@](=O)Cc2[nH+]ccn2C(C)C)n1 ZINC000133727377 377953076 /nfs/dbraw/zinc/95/30/76/377953076.db2.gz CCXTYQVUZOMEMO-GOSISDBHSA-N 1 2 283.422 2.678 10 0 CFAELO CCc1ccc([C@@H]2CCCC[N@@H+]2Cc2nccc(N)n2)o1 ZINC000135098381 378081697 /nfs/dbraw/zinc/08/16/97/378081697.db2.gz FAZRIEKSDJLTSE-ZDUSSCGKSA-N 1 2 286.379 2.941 10 0 CFAELO CCc1ccc([C@@H]2CCCC[N@H+]2Cc2nccc(N)n2)o1 ZINC000135098381 378081704 /nfs/dbraw/zinc/08/17/04/378081704.db2.gz FAZRIEKSDJLTSE-ZDUSSCGKSA-N 1 2 286.379 2.941 10 0 CFAELO C[C@@H]1C(c2ccccc2)=[N+](O)C2(CCCCC2)N1O ZINC000144423303 378247396 /nfs/dbraw/zinc/24/73/96/378247396.db2.gz HYFLUYNJSVCCKS-GFCCVEGCSA-N 1 2 261.345 2.631 10 0 CFAELO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000155009359 378607972 /nfs/dbraw/zinc/60/79/72/378607972.db2.gz GVJQTXVVNLCIPM-JKSUJKDBSA-N 1 2 289.423 2.948 10 0 CFAELO COc1ccc([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)c(F)c1 ZINC000164648778 379021234 /nfs/dbraw/zinc/02/12/34/379021234.db2.gz MCUJYGDJMSFMIL-IINYFYTJSA-N 1 2 290.342 2.612 10 0 CFAELO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc(F)cc(F)c1 ZINC000164733780 379024137 /nfs/dbraw/zinc/02/41/37/379024137.db2.gz MKXURZAQFGDALO-NOZJJQNGSA-N 1 2 278.306 2.742 10 0 CFAELO COCCCCC[N@@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000171500859 379324261 /nfs/dbraw/zinc/32/42/61/379324261.db2.gz QNXOGXYSCMBPRM-ZDUSSCGKSA-N 1 2 284.425 2.642 10 0 CFAELO COCCCCC[N@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000171500859 379324307 /nfs/dbraw/zinc/32/43/07/379324307.db2.gz QNXOGXYSCMBPRM-ZDUSSCGKSA-N 1 2 284.425 2.642 10 0 CFAELO CCc1ccc(NC(=O)C[N@@H+]2CCS[C@H](C)C2)cc1 ZINC000171702307 379381281 /nfs/dbraw/zinc/38/12/81/379381281.db2.gz WQLHUSNKXXTXIJ-GFCCVEGCSA-N 1 2 278.421 2.625 10 0 CFAELO CCc1ccc(NC(=O)C[N@H+]2CCS[C@H](C)C2)cc1 ZINC000171702307 379381284 /nfs/dbraw/zinc/38/12/84/379381284.db2.gz WQLHUSNKXXTXIJ-GFCCVEGCSA-N 1 2 278.421 2.625 10 0 CFAELO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1ccc(CO)o1 ZINC000174410959 379880893 /nfs/dbraw/zinc/88/08/93/379880893.db2.gz QFOXEKALWOVIIU-GFCCVEGCSA-N 1 2 299.374 2.992 10 0 CFAELO C[C@H](NC(=O)NCC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174760752 379935707 /nfs/dbraw/zinc/93/57/07/379935707.db2.gz UVLVCUBWPQQVAT-LBPRGKRZSA-N 1 2 284.363 2.643 10 0 CFAELO Cc1nc(C[S@@](=O)Cc2[nH+]ccn2C(C)C)sc1C ZINC000176094200 380179173 /nfs/dbraw/zinc/17/91/73/380179173.db2.gz BKDQWPUSMLQANU-IBGZPJMESA-N 1 2 297.449 2.986 10 0 CFAELO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1nc(Cl)ccc1Cl ZINC000295817843 381094458 /nfs/dbraw/zinc/09/44/58/381094458.db2.gz BTQJVKOMPANBNW-KCJUWKMLSA-N 1 2 275.179 2.734 10 0 CFAELO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1nc(Cl)ccc1Cl ZINC000295817843 381094468 /nfs/dbraw/zinc/09/44/68/381094468.db2.gz BTQJVKOMPANBNW-KCJUWKMLSA-N 1 2 275.179 2.734 10 0 CFAELO C[C@H](Nc1cnn(-c2ccccc2F)c1)c1[nH+]ccn1C ZINC000183288370 381250031 /nfs/dbraw/zinc/25/00/31/381250031.db2.gz WWWGVPPHLDGKIR-NSHDSACASA-N 1 2 285.326 2.918 10 0 CFAELO CCn1cc[nH+]c1CN1C[C@H]2CCC(=O)c3cccc1c32 ZINC000184816189 381481857 /nfs/dbraw/zinc/48/18/57/381481857.db2.gz ACUSKHIJYWQFPJ-GFCCVEGCSA-N 1 2 281.359 2.983 10 0 CFAELO CC(C)C1([NH2+]Cc2nc(=O)c3sccc3[nH]2)CC1 ZINC000298487506 381647821 /nfs/dbraw/zinc/64/78/21/381647821.db2.gz TZWLWMJZUGTIBO-UHFFFAOYSA-N 1 2 263.366 2.675 10 0 CFAELO COc1cncc(C[NH2+][C@H](C)c2csc(C)n2)c1 ZINC000343701434 381896666 /nfs/dbraw/zinc/89/66/66/381896666.db2.gz XJYGURKFQGAWIK-SECBINFHSA-N 1 2 263.366 2.706 10 0 CFAELO O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccc2ccccc2n1 ZINC000186694572 381986635 /nfs/dbraw/zinc/98/66/35/381986635.db2.gz TXDSRQQPDBYFAF-KRWDZBQOSA-N 1 2 282.343 2.516 10 0 CFAELO O=C1OCC[C@@]12CCC[N@H+]2Cc1ccc2ccccc2n1 ZINC000186694572 381986642 /nfs/dbraw/zinc/98/66/42/381986642.db2.gz TXDSRQQPDBYFAF-KRWDZBQOSA-N 1 2 282.343 2.516 10 0 CFAELO CCOC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000301070525 382072683 /nfs/dbraw/zinc/07/26/83/382072683.db2.gz GJPCJMLYACFWHF-UHFFFAOYSA-N 1 2 263.385 2.914 10 0 CFAELO Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)nnc1C ZINC000302353511 382241654 /nfs/dbraw/zinc/24/16/54/382241654.db2.gz YSQBQSSKKGKEST-UHFFFAOYSA-N 1 2 283.379 2.569 10 0 CFAELO Nc1ccc(CNc2ccc(-c3ccc(F)cc3)nn2)c[nH+]1 ZINC000302837169 382330717 /nfs/dbraw/zinc/33/07/17/382330717.db2.gz XGDZQWMKELDFTR-UHFFFAOYSA-N 1 2 295.321 2.872 10 0 CFAELO FC(F)COCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000188981021 382516576 /nfs/dbraw/zinc/51/65/76/382516576.db2.gz DRSPDEIRLNPFSD-JTQLQIEISA-N 1 2 276.352 2.952 10 0 CFAELO FC(F)COCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000188981021 382516580 /nfs/dbraw/zinc/51/65/80/382516580.db2.gz DRSPDEIRLNPFSD-JTQLQIEISA-N 1 2 276.352 2.952 10 0 CFAELO CCN1CC[C@H]([NH2+]Cc2csc(C(C)(C)C)n2)C1 ZINC000389149518 382611569 /nfs/dbraw/zinc/61/15/69/382611569.db2.gz IZVGBMPIBSDJOO-NSHDSACASA-N 1 2 267.442 2.624 10 0 CFAELO CC(C)OCCC[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000190816157 382681228 /nfs/dbraw/zinc/68/12/28/382681228.db2.gz AOGSABQVIODPLJ-SFHVURJKSA-N 1 2 272.414 2.528 10 0 CFAELO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2nc(C)cc(=O)[nH]2)s1 ZINC000192782394 382712260 /nfs/dbraw/zinc/71/22/60/382712260.db2.gz UNUVNQSXKNBJDI-UWVGGRQHSA-N 1 2 278.381 2.667 10 0 CFAELO [NH3+][C@H](c1ccsn1)c1occc1Br ZINC000575507251 382773337 /nfs/dbraw/zinc/77/33/37/382773337.db2.gz LBLQKMYKVXGJDG-SSDOTTSWSA-N 1 2 259.128 2.547 10 0 CFAELO CC[NH+](CC)c1ccc(N)cc1C(=O)N1CCC[C@H](C)C1 ZINC000226323897 382826872 /nfs/dbraw/zinc/82/68/72/382826872.db2.gz UHBJSRCGFIRFPG-ZDUSSCGKSA-N 1 2 289.423 2.987 10 0 CFAELO CC(C)c1noc([C@@H](C)[N@@H+]2CCS[C@@H](C)C2)n1 ZINC000246130416 383063824 /nfs/dbraw/zinc/06/38/24/383063824.db2.gz MLDJALKLOVRDSV-VHSXEESVSA-N 1 2 255.387 2.691 10 0 CFAELO CC(C)c1noc([C@@H](C)[N@H+]2CCS[C@@H](C)C2)n1 ZINC000246130416 383063828 /nfs/dbraw/zinc/06/38/28/383063828.db2.gz MLDJALKLOVRDSV-VHSXEESVSA-N 1 2 255.387 2.691 10 0 CFAELO CCc1nnc(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccco2)n1C ZINC000247233461 383155202 /nfs/dbraw/zinc/15/52/02/383155202.db2.gz DGFCGFLVBDJGRO-STQMWFEESA-N 1 2 288.395 2.944 10 0 CFAELO CCc1nnc(C[N@H+]2CC[C@H](C)C[C@H]2c2ccco2)n1C ZINC000247233461 383155203 /nfs/dbraw/zinc/15/52/03/383155203.db2.gz DGFCGFLVBDJGRO-STQMWFEESA-N 1 2 288.395 2.944 10 0 CFAELO C[C@H](O)CN1CC[N@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1C ZINC000248389468 383233245 /nfs/dbraw/zinc/23/32/45/383233245.db2.gz GPOUZHORXPJRAE-STQMWFEESA-N 1 2 298.377 2.511 10 0 CFAELO C[C@H](O)CN1CC[N@@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1C ZINC000248389468 383233249 /nfs/dbraw/zinc/23/32/49/383233249.db2.gz GPOUZHORXPJRAE-STQMWFEESA-N 1 2 298.377 2.511 10 0 CFAELO CO[C@H](C)C[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000248423429 383241062 /nfs/dbraw/zinc/24/10/62/383241062.db2.gz NCEWDFHASGRMRQ-VXGBXAGGSA-N 1 2 298.452 2.849 10 0 CFAELO CO[C@H](C)C[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000248423429 383241065 /nfs/dbraw/zinc/24/10/65/383241065.db2.gz NCEWDFHASGRMRQ-VXGBXAGGSA-N 1 2 298.452 2.849 10 0 CFAELO Cc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000249345311 383340388 /nfs/dbraw/zinc/34/03/88/383340388.db2.gz ULZDKOPNKZVAMF-KKUMJFAQSA-N 1 2 290.407 2.740 10 0 CFAELO Nc1ncc(C[N@@H+]2CCCC[C@@H]2c2nccs2)s1 ZINC000261982856 383589554 /nfs/dbraw/zinc/58/95/54/383589554.db2.gz 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/nfs/dbraw/zinc/73/08/06/393730806.db2.gz HIQHZKYYBZVRSR-GFCCVEGCSA-N 1 2 291.424 2.825 10 0 CFAELO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1nnnn1C(C)C ZINC000195075474 393730808 /nfs/dbraw/zinc/73/08/08/393730808.db2.gz HIQHZKYYBZVRSR-GFCCVEGCSA-N 1 2 291.424 2.825 10 0 CFAELO C[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)O1 ZINC000133243141 394173151 /nfs/dbraw/zinc/17/31/51/394173151.db2.gz JGGGCDUFTZUVQW-BXUZGUMPSA-N 1 2 285.347 2.593 10 0 CFAELO C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177760046 394384644 /nfs/dbraw/zinc/38/46/44/394384644.db2.gz DNPNFLDFUBOGOG-DOTOQJQBSA-N 1 2 297.402 2.753 10 0 CFAELO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C)n2C2CC2)o1 ZINC000182566654 543030931 /nfs/dbraw/zinc/03/09/31/543030931.db2.gz VAWVKISMAUBAKL-JTQLQIEISA-N 1 2 260.341 2.674 10 0 CFAELO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000188965590 543065939 /nfs/dbraw/zinc/06/59/39/543065939.db2.gz NYJOWMKATDIFNQ-UWVGGRQHSA-N 1 2 289.301 2.580 10 0 CFAELO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000188965590 543065942 /nfs/dbraw/zinc/06/59/42/543065942.db2.gz NYJOWMKATDIFNQ-UWVGGRQHSA-N 1 2 289.301 2.580 10 0 CFAELO CCc1ccc([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000188823203 543064358 /nfs/dbraw/zinc/06/43/58/543064358.db2.gz TYWSTOLAEQGCPA-LBPRGKRZSA-N 1 2 271.364 2.782 10 0 CFAELO CCc1ccc([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000188823203 543064363 /nfs/dbraw/zinc/06/43/63/543064363.db2.gz TYWSTOLAEQGCPA-LBPRGKRZSA-N 1 2 271.364 2.782 10 0 CFAELO CC1(C)CC[C@@H]1[NH2+]c1ccc(OCCC(N)=O)cc1 ZINC000284203497 196001974 /nfs/dbraw/zinc/00/19/74/196001974.db2.gz GPKPIXZHEAJLIO-ZDUSSCGKSA-N 1 2 262.353 2.541 10 0 CFAELO CC1CCC([NH2+]c2ccc(-n3cnnn3)cc2)CC1 ZINC000021520959 171316089 /nfs/dbraw/zinc/31/60/89/171316089.db2.gz XNNUNWKFMSLFHB-UHFFFAOYSA-N 1 2 257.341 2.653 10 0 CFAELO C[C@H](C(=O)Nc1ccc(N)c(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000022176100 171370482 /nfs/dbraw/zinc/37/04/82/171370482.db2.gz VWYYCDOVMXOCIV-MRVPVSSYSA-N 1 2 298.268 2.684 10 0 CFAELO O=c1nc(C[NH2+][C@H]2CCc3ccccc32)[nH]c2ccsc21 ZINC000035180668 172034219 /nfs/dbraw/zinc/03/42/19/172034219.db2.gz DURNCIFCQRSDRV-LBPRGKRZSA-N 1 2 297.383 2.762 10 0 CFAELO CCc1ccc(C[NH2+][C@@H](C(=O)OC)C(C)C)s1 ZINC000035346690 172139363 /nfs/dbraw/zinc/13/93/63/172139363.db2.gz IYRDGNZJDIOBIX-GFCCVEGCSA-N 1 2 255.383 2.598 10 0 CFAELO Cn1cc[nH+]c1[C@H](NCC(F)(F)F)c1cccs1 ZINC000037184437 173016705 /nfs/dbraw/zinc/01/67/05/173016705.db2.gz QXGIXORKHIECIT-SECBINFHSA-N 1 2 275.299 2.723 10 0 CFAELO COc1cc(C)ccc1C(=O)C[NH+]1CCC(C)CC1 ZINC000037332131 173133905 /nfs/dbraw/zinc/13/39/05/173133905.db2.gz VUMKBHLCHHFGGM-UHFFFAOYSA-N 1 2 261.365 2.918 10 0 CFAELO CC[C@@H]1CCC[N@H+](CC(=O)c2cc(F)ccc2O)C1 ZINC000037339545 173140225 /nfs/dbraw/zinc/14/02/25/173140225.db2.gz XUFSINMTWSRMLO-LLVKDONJSA-N 1 2 265.328 2.836 10 0 CFAELO CC[C@@H]1CCC[N@@H+](CC(=O)c2cc(F)ccc2O)C1 ZINC000037339545 173140226 /nfs/dbraw/zinc/14/02/26/173140226.db2.gz XUFSINMTWSRMLO-LLVKDONJSA-N 1 2 265.328 2.836 10 0 CFAELO O=C(Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000037340515 173142316 /nfs/dbraw/zinc/14/23/16/173142316.db2.gz VCNRWTMRVNYLQS-UHFFFAOYSA-N 1 2 265.110 2.529 10 0 CFAELO COC1CC[NH+](CC(=O)c2ccc(C)c(C)c2)CC1 ZINC000037415158 173191732 /nfs/dbraw/zinc/19/17/32/173191732.db2.gz KIXXIRROYBVAHD-UHFFFAOYSA-N 1 2 261.365 2.597 10 0 CFAELO CC[C@@H]1CO[C@@H](C)C[N@@H+]1[C@@H](C)C(=O)c1ccccc1 ZINC000037488599 173230754 /nfs/dbraw/zinc/23/07/54/173230754.db2.gz ZZUPVGJQVWKEQR-KCQAQPDRSA-N 1 2 261.365 2.757 10 0 CFAELO CC[C@@H]1CO[C@@H](C)C[N@H+]1[C@@H](C)C(=O)c1ccccc1 ZINC000037488599 173230756 /nfs/dbraw/zinc/23/07/56/173230756.db2.gz ZZUPVGJQVWKEQR-KCQAQPDRSA-N 1 2 261.365 2.757 10 0 CFAELO COc1ccc([NH2+]CCc2ccccn2)c(OC)c1 ZINC000037491860 173232851 /nfs/dbraw/zinc/23/28/51/173232851.db2.gz YUJSCXQCZWHLEQ-UHFFFAOYSA-N 1 2 258.321 2.753 10 0 CFAELO COC(=O)[C@](C)(CC(C)(C)OC)[NH2+]Cc1cccs1 ZINC000037966845 173912903 /nfs/dbraw/zinc/91/29/03/173912903.db2.gz WVHLLEVRYNCSCW-AWEZNQCLSA-N 1 2 285.409 2.585 10 0 CFAELO CC(C)(C)c1noc(C[N@@H+]2CCc3c(N)cccc3C2)n1 ZINC000038032851 174029835 /nfs/dbraw/zinc/02/98/35/174029835.db2.gz CRBFSZZGGVNAHX-UHFFFAOYSA-N 1 2 286.379 2.508 10 0 CFAELO CC(C)(C)c1noc(C[N@H+]2CCc3c(N)cccc3C2)n1 ZINC000038032851 174029837 /nfs/dbraw/zinc/02/98/37/174029837.db2.gz CRBFSZZGGVNAHX-UHFFFAOYSA-N 1 2 286.379 2.508 10 0 CFAELO CC[C@@H](C)[NH2+][C@@](CC)(C(=O)OC)c1ccc(O)cc1 ZINC000038066618 174077654 /nfs/dbraw/zinc/07/76/54/174077654.db2.gz XZOONBQCLNKWFZ-IAQYHMDHSA-N 1 2 265.353 2.559 10 0 CFAELO CCOC(=O)[C@@](C)([NH2+][C@H](C)CC)c1ccc(O)cc1 ZINC000038067746 174079683 /nfs/dbraw/zinc/07/96/83/174079683.db2.gz UGCNJFWZFSXVQJ-ABAIWWIYSA-N 1 2 265.353 2.559 10 0 CFAELO CCOC(=O)[C@H]([NH2+][C@H](C)CC)c1ccc(OC)cc1 ZINC000038067882 174079879 /nfs/dbraw/zinc/07/98/79/174079879.db2.gz WJCHNAJBGQORDT-BXUZGUMPSA-N 1 2 265.353 2.688 10 0 CFAELO c1ccc(-c2nnc(CNc3cccc[nH+]3)o2)cc1 ZINC000039891520 174174318 /nfs/dbraw/zinc/17/43/18/174174318.db2.gz AGMBDALQOUVUBV-UHFFFAOYSA-N 1 2 252.277 2.744 10 0 CFAELO CC1(C)CC[C@H]([NH2+][C@H]2CCOC2=O)c2ccccc21 ZINC000040177305 174202493 /nfs/dbraw/zinc/20/24/93/174202493.db2.gz JLGHYNSMUMOQGY-KBPBESRZSA-N 1 2 259.349 2.704 10 0 CFAELO CC1(C)CC[C@H]([NH2+][C@@H]2CCOC2=O)c2ccccc21 ZINC000040177303 174202611 /nfs/dbraw/zinc/20/26/11/174202611.db2.gz JLGHYNSMUMOQGY-UONOGXRCSA-N 1 2 259.349 2.704 10 0 CFAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)NCC(C)C ZINC000040295504 174223814 /nfs/dbraw/zinc/22/38/14/174223814.db2.gz WUOHHGSXZBPEBL-UHFFFAOYSA-N 1 2 273.380 2.734 10 0 CFAELO CCc1nc([C@H]2C[C@@H](OC)C[NH2+]2)[nH]c1-c1ccccc1 ZINC000040637790 174361989 /nfs/dbraw/zinc/36/19/89/174361989.db2.gz ZNRIRJRDMJNNKZ-TZMCWYRMSA-N 1 2 271.364 2.689 10 0 CFAELO CCCCc1ccc(Nc2[nH+]cnc(N)c2N)cc1 ZINC000040679954 174374904 /nfs/dbraw/zinc/37/49/04/174374904.db2.gz KINXNUYTRVAKHJ-UHFFFAOYSA-N 1 2 257.341 2.727 10 0 CFAELO CCCCc1ccc(Nc2nc[nH+]c(N)c2N)cc1 ZINC000040679954 174374905 /nfs/dbraw/zinc/37/49/05/174374905.db2.gz KINXNUYTRVAKHJ-UHFFFAOYSA-N 1 2 257.341 2.727 10 0 CFAELO Cc1ccc(Nc2nc[nH+]c(NC(C)(C)C)c2N)nc1 ZINC000040680688 174375414 /nfs/dbraw/zinc/37/54/14/174375414.db2.gz PWKZVKAFIFTDES-UHFFFAOYSA-N 1 2 272.356 2.716 10 0 CFAELO CCN(CC)c1[nH+]cnc(N2CCc3ccccc32)c1N ZINC000040687285 174375783 /nfs/dbraw/zinc/37/57/83/174375783.db2.gz BLYNTXHYWZQOCV-UHFFFAOYSA-N 1 2 283.379 2.599 10 0 CFAELO CCNc1[nH+]cnc(Nc2ccc(F)c(F)c2)c1N ZINC000040707526 174380186 /nfs/dbraw/zinc/38/01/86/174380186.db2.gz FOASDCSCIARZCR-UHFFFAOYSA-N 1 2 265.267 2.512 10 0 CFAELO CCNc1nc[nH+]c(Nc2ccc(F)c(F)c2)c1N ZINC000040707526 174380188 /nfs/dbraw/zinc/38/01/88/174380188.db2.gz FOASDCSCIARZCR-UHFFFAOYSA-N 1 2 265.267 2.512 10 0 CFAELO CCCNc1[nH+]cnc(Nc2ccccc2OC)c1N ZINC000040707772 174380284 /nfs/dbraw/zinc/38/02/84/174380284.db2.gz BMBMHSGTJLOCTJ-UHFFFAOYSA-N 1 2 273.340 2.633 10 0 CFAELO Cc1ccc(CNc2nc[nH+]c(N3CCCC3)c2N)cc1 ZINC000040724420 174386546 /nfs/dbraw/zinc/38/65/46/174386546.db2.gz LEIMRXFJJAPBOL-UHFFFAOYSA-N 1 2 283.379 2.580 10 0 CFAELO Nc1c(NCc2ccco2)nc[nH+]c1N1CCCCCC1 ZINC000040725475 174387007 /nfs/dbraw/zinc/38/70/07/174387007.db2.gz UNHBLXLYPQTEGF-UHFFFAOYSA-N 1 2 287.367 2.644 10 0 CFAELO Cc1ccc(Nc2nc[nH+]c(NCc3ccco3)c2N)nc1 ZINC000040761407 174397316 /nfs/dbraw/zinc/39/73/16/174397316.db2.gz RAYADEFXCFCFMI-UHFFFAOYSA-N 1 2 296.334 2.711 10 0 CFAELO CC(C)N(Cc1ccccc1)c1[nH+]cccc1CO ZINC000040864234 174426213 /nfs/dbraw/zinc/42/62/13/174426213.db2.gz ANGVAWDMQATCIX-UHFFFAOYSA-N 1 2 256.349 2.989 10 0 CFAELO CCN(C(=O)[C@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCCCC1 ZINC000043303867 175002763 /nfs/dbraw/zinc/00/27/63/175002763.db2.gz NQWRRVPMWYBXPD-KFWWJZLASA-N 1 2 296.455 2.665 10 0 CFAELO Cc1c(C)n([C@@H](C)c2ccncc2)c2nc(C)[nH+]c(N)c12 ZINC000043531441 175062336 /nfs/dbraw/zinc/06/23/36/175062336.db2.gz AASBRDVIANJGBY-NSHDSACASA-N 1 2 281.363 2.943 10 0 CFAELO Nc1cc[nH+]c(Sc2nnc(C3CC3)n2C2CC2)c1 ZINC000043569663 175067751 /nfs/dbraw/zinc/06/77/51/175067751.db2.gz UPDHDSJHEYFRSW-UHFFFAOYSA-N 1 2 273.365 2.619 10 0 CFAELO c1ccc2c(c1)CC[NH2+][C@@H]2c1nnc(C2CCCC2)[nH]1 ZINC000043594617 175075668 /nfs/dbraw/zinc/07/56/68/175075668.db2.gz VZYCFUXXOLVJNP-AWEZNQCLSA-N 1 2 268.364 2.697 10 0 CFAELO CCOC(=O)C[C@@H](C)n1c[nH+]c2cc(F)c(F)cc21 ZINC000043622116 175080747 /nfs/dbraw/zinc/08/07/47/175080747.db2.gz IUAOJMRCIQEOLB-MRVPVSSYSA-N 1 2 268.263 2.829 10 0 CFAELO Cc1cc(C[NH2+]Cc2nc3ccccc3s2)on1 ZINC000044301026 175162199 /nfs/dbraw/zinc/16/21/99/175162199.db2.gz IYSSQMHRNKYNCH-UHFFFAOYSA-N 1 2 259.334 2.883 10 0 CFAELO C[C@H](Nc1ccc[nH+]c1N1CCCC1)c1cnn(C)c1 ZINC000044496260 175183233 /nfs/dbraw/zinc/18/32/33/175183233.db2.gz UQZYRXUDFXBMLO-LBPRGKRZSA-N 1 2 271.368 2.588 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H](C)c2ccccc2)c1N ZINC000044589663 175212103 /nfs/dbraw/zinc/21/21/03/175212103.db2.gz KNPDLJVUUMJBER-JTQLQIEISA-N 1 2 273.336 2.560 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n(C[C@H]2CCCC[C@H]2C)c1N ZINC000044590949 175212408 /nfs/dbraw/zinc/21/24/08/175212408.db2.gz USBTVRLDBCSMCE-ZYHUDNBSSA-N 1 2 279.384 2.777 10 0 CFAELO CC(C)CCc1noc([C@@H]2[NH2+]CCc3sccc32)n1 ZINC000044593003 175214169 /nfs/dbraw/zinc/21/41/69/175214169.db2.gz UDELEPUMVVIQFR-CYBMUJFWSA-N 1 2 277.393 2.955 10 0 CFAELO Cc1cc(C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)no1 ZINC000044692382 175233751 /nfs/dbraw/zinc/23/37/51/175233751.db2.gz BTCIGQQMSCBBSW-GFCCVEGCSA-N 1 2 288.347 2.995 10 0 CFAELO COc1ccc2c(c1)[C@H]([NH2+]Cc1cc(C)on1)CCO2 ZINC000044693150 175234629 /nfs/dbraw/zinc/23/46/29/175234629.db2.gz QARZVUKIUCWUCH-CQSZACIVSA-N 1 2 274.320 2.605 10 0 CFAELO COC(=O)[C@@H]([NH2+][C@@H]1CCCc2cc(O)ccc21)C(C)C ZINC000044747050 175242726 /nfs/dbraw/zinc/24/27/26/175242726.db2.gz KDHIVYOANAQCBS-CABCVRRESA-N 1 2 277.364 2.557 10 0 CFAELO Nc1c(NCCCCn2cc[nH+]c2)ccc2ncccc12 ZINC000045105736 175307409 /nfs/dbraw/zinc/30/74/09/175307409.db2.gz HZFIGOIQGNYRLJ-UHFFFAOYSA-N 1 2 281.363 2.906 10 0 CFAELO CCOC(=O)[C@](C)(CCN(C)c1ccccc1)[NH2+]C(C)C ZINC000045227750 175333406 /nfs/dbraw/zinc/33/34/06/175333406.db2.gz BKAGSAVZQKOYEB-KRWDZBQOSA-N 1 2 292.423 2.833 10 0 CFAELO CCOC(=O)[C@@](C)(CCN(CC)c1cccc(C)c1)[NH2+]C ZINC000045273239 175343933 /nfs/dbraw/zinc/34/39/33/175343933.db2.gz WVMBXFFAVKLTDC-QGZVFWFLSA-N 1 2 292.423 2.753 10 0 CFAELO C[C@@H]1C[C@@H]1NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000077444999 177270026 /nfs/dbraw/zinc/27/00/26/177270026.db2.gz IMQIHZQFRLHRGO-MFKMUULPSA-N 1 2 270.336 2.617 10 0 CFAELO CCC[C@@H]1CCC(=O)N(Cc2ccc[nH+]c2N)CC1 ZINC000079228387 177451219 /nfs/dbraw/zinc/45/12/19/177451219.db2.gz WCWHYMGBOPSTIF-GFCCVEGCSA-N 1 2 261.369 2.593 10 0 CFAELO COC(=O)[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)c1ccccc1 ZINC000397874641 270320214 /nfs/dbraw/zinc/32/02/14/270320214.db2.gz YLHMKNCADDMTMW-FPMFFAJLSA-N 1 2 261.365 2.925 10 0 CFAELO CC(C)n1nnnc1C[N@H+](C)[C@H](C)c1cccs1 ZINC000195084586 270250071 /nfs/dbraw/zinc/25/00/71/270250071.db2.gz QHNVPGTZJZGGMC-SNVBAGLBSA-N 1 2 265.386 2.509 10 0 CFAELO CC(C)n1nnnc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000195084586 270250072 /nfs/dbraw/zinc/25/00/72/270250072.db2.gz QHNVPGTZJZGGMC-SNVBAGLBSA-N 1 2 265.386 2.509 10 0 CFAELO CCc1ccc([C@@H](C)[NH2+][C@H](C(=O)OC)C2CC2)cc1 ZINC000227767419 270258206 /nfs/dbraw/zinc/25/82/06/270258206.db2.gz WQCMQQIOASJCAD-ABAIWWIYSA-N 1 2 261.365 2.851 10 0 CFAELO CC(C)(C)OC1CC([N@@H+]2CCN3CCCC[C@@H]3C2)C1 ZINC000334407411 277209673 /nfs/dbraw/zinc/20/96/73/277209673.db2.gz IJJDODBLPKSTLK-WLYUNCDWSA-N 1 2 266.429 2.503 10 0 CFAELO CC(C)(C)OC1CC([N@H+]2CCN3CCCC[C@@H]3C2)C1 ZINC000334407411 277209675 /nfs/dbraw/zinc/20/96/75/277209675.db2.gz IJJDODBLPKSTLK-WLYUNCDWSA-N 1 2 266.429 2.503 10 0 CFAELO CC(C)n1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cn1 ZINC000179811818 278127911 /nfs/dbraw/zinc/12/79/11/278127911.db2.gz RLWLCHVWISRSOH-LSDHHAIUSA-N 1 2 263.385 2.607 10 0 CFAELO CC(C)n1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cn1 ZINC000179811818 278127912 /nfs/dbraw/zinc/12/79/12/278127912.db2.gz RLWLCHVWISRSOH-LSDHHAIUSA-N 1 2 263.385 2.607 10 0 CFAELO CCn1cc[nH+]c1C[S@@](=O)Cc1cccc(C)c1 ZINC000083033442 280547626 /nfs/dbraw/zinc/54/76/26/280547626.db2.gz YPASBBFGCHUUHT-GOSISDBHSA-N 1 2 262.378 2.660 10 0 CFAELO CC(C)(C)NC(=O)C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000105862829 280585213 /nfs/dbraw/zinc/58/52/13/280585213.db2.gz FQPJTOLECAXKQZ-INIZCTEOSA-N 1 2 286.375 2.873 10 0 CFAELO Cc1ccc2oc(C(=O)Nc3ccc(N)[nH+]c3)cc2c1 ZINC000061680178 281180845 /nfs/dbraw/zinc/18/08/45/281180845.db2.gz MMQPKIBLYHTJCZ-UHFFFAOYSA-N 1 2 267.288 2.971 10 0 CFAELO CNc1snnc1C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000050815481 522729634 /nfs/dbraw/zinc/72/96/34/522729634.db2.gz NMYXFOHIIQKMMU-ZJUUUORDSA-N 1 2 254.403 2.590 10 0 CFAELO CNc1snnc1C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000050815481 522729650 /nfs/dbraw/zinc/72/96/50/522729650.db2.gz NMYXFOHIIQKMMU-ZJUUUORDSA-N 1 2 254.403 2.590 10 0 CFAELO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1cscn1 ZINC000162406272 322364359 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CCC(C)(C)NC(=O)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195365084 521314276 /nfs/dbraw/zinc/31/42/76/521314276.db2.gz KZCYXXKXEZCNGI-LBPRGKRZSA-N 1 2 295.452 2.975 10 0 CFAELO CCC(C)(C)NC(=O)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000195365084 521314294 /nfs/dbraw/zinc/31/42/94/521314294.db2.gz KZCYXXKXEZCNGI-LBPRGKRZSA-N 1 2 295.452 2.975 10 0 CFAELO CCCc1cc(N)nc(Cc2ccc(OC)cc2)[nH+]1 ZINC000050845814 521366529 /nfs/dbraw/zinc/36/65/29/521366529.db2.gz FSMJFNIAMVCDMH-UHFFFAOYSA-N 1 2 257.337 2.611 10 0 CFAELO CCCc1ccccc1NC(=O)c1cccc(NN)[nH+]1 ZINC000051120010 521446142 /nfs/dbraw/zinc/44/61/42/521446142.db2.gz NIPUFQIGAXCFJB-UHFFFAOYSA-N 1 2 270.336 2.572 10 0 CFAELO CCOC(=O)c1c[nH+]c2c(COC)cccc2c1NC ZINC000050843390 521574500 /nfs/dbraw/zinc/57/45/00/521574500.db2.gz WGBMHEDRNDECHC-UHFFFAOYSA-N 1 2 274.320 2.600 10 0 CFAELO CC[N@@H+]1CCC[C@@H](n2c(C)[nH+]c3cc(C(=O)[O-])ccc32)C1 ZINC000049223250 521627301 /nfs/dbraw/zinc/62/73/01/521627301.db2.gz SVKLHUXAYCXKNX-CYBMUJFWSA-N 1 2 287.363 2.700 10 0 CFAELO CC[N@H+]1CCC[C@@H](n2c(C)[nH+]c3cc(C(=O)[O-])ccc32)C1 ZINC000049223250 521627304 /nfs/dbraw/zinc/62/73/04/521627304.db2.gz SVKLHUXAYCXKNX-CYBMUJFWSA-N 1 2 287.363 2.700 10 0 CFAELO C[NH2+][C@](C)(CSc1cccc(Cl)c1)C(=O)OC ZINC000054186528 522518756 /nfs/dbraw/zinc/51/87/56/522518756.db2.gz PIRDGQAFUMLECK-GFCCVEGCSA-N 1 2 273.785 2.583 10 0 CFAELO CNc1cc[nH+]c2c(OC)cc(OC)c(Cl)c12 ZINC000050843847 522671664 /nfs/dbraw/zinc/67/16/64/522671664.db2.gz WPZCAVQBOYCTTK-UHFFFAOYSA-N 1 2 252.701 2.947 10 0 CFAELO CNc1nc(-c2ccc(O)c(OC)c2)[nH+]c2c1CCCC2 ZINC000050865372 522673924 /nfs/dbraw/zinc/67/39/24/522673924.db2.gz QDHMIPPAZHQISL-UHFFFAOYSA-N 1 2 285.347 2.778 10 0 CFAELO CNc1[nH+]c2ccccc2cc1Cn1cc(C)cn1 ZINC000050829616 522690472 /nfs/dbraw/zinc/69/04/72/522690472.db2.gz LTCKMDFAVLMXEM-UHFFFAOYSA-N 1 2 252.321 2.830 10 0 CFAELO CCc1nnc(C[N@@H+]2CCC[C@H]2c2cccs2)n1C ZINC000195026688 522735595 /nfs/dbraw/zinc/73/55/95/522735595.db2.gz TVZKAHUSERPYDU-NSHDSACASA-N 1 2 276.409 2.776 10 0 CFAELO CCc1nnc(C[N@H+]2CCC[C@H]2c2cccs2)n1C ZINC000195026688 522735606 /nfs/dbraw/zinc/73/56/06/522735606.db2.gz TVZKAHUSERPYDU-NSHDSACASA-N 1 2 276.409 2.776 10 0 CFAELO COc1cc(OC)c2[nH+]c(C)cc(N)c2c1Cl ZINC000050869340 522836020 /nfs/dbraw/zinc/83/60/20/522836020.db2.gz DUCPIGKXELAZRA-UHFFFAOYSA-N 1 2 252.701 2.796 10 0 CFAELO COCc1ccccc1-n1c(N)[nH+]c2c1cccc2F ZINC000049510306 523089157 /nfs/dbraw/zinc/08/91/57/523089157.db2.gz SVLRHZULUIKIQS-UHFFFAOYSA-N 1 2 271.295 2.893 10 0 CFAELO CCn1cc[nH+]c1CS(=O)(=O)[C@@H](C)c1ccccc1F ZINC000195519927 523544038 /nfs/dbraw/zinc/54/40/38/523544038.db2.gz PESSWBXWXTZKDI-NSHDSACASA-N 1 2 296.367 2.718 10 0 CFAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1cc(C)ccc1C ZINC000195519655 523545239 /nfs/dbraw/zinc/54/52/39/523545239.db2.gz COPHHIUIUUQMFM-UHFFFAOYSA-N 1 2 292.404 2.635 10 0 CFAELO CCc1cc(N)nc(-c2cc3c(c(Cl)c2)OCO3)[nH+]1 ZINC000050866927 523790421 /nfs/dbraw/zinc/79/04/21/523790421.db2.gz GUTZDQRWYSNLKP-UHFFFAOYSA-N 1 2 277.711 2.670 10 0 CFAELO CC[C@H](C(=O)Nc1ccc(N)[nH+]c1)c1ccccc1 ZINC000061680364 523799640 /nfs/dbraw/zinc/79/96/40/523799640.db2.gz NDUZUFPFZVMSKQ-ZDUSSCGKSA-N 1 2 255.321 2.796 10 0 CFAELO COc1ccc(C)cc1-n1c[nH+]c2cc(N)ccc21 ZINC000052842947 523800295 /nfs/dbraw/zinc/80/02/95/523800295.db2.gz BRCWKSFNGDWKKV-UHFFFAOYSA-N 1 2 253.305 2.925 10 0 CFAELO COC(=O)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1)C(C)C ZINC000068740464 523930897 /nfs/dbraw/zinc/93/08/97/523930897.db2.gz RJTOMKXBXMLXER-GXFFZTMASA-N 1 2 253.317 2.674 10 0 CFAELO COc1ccc(C[NH2+][C@H](C)c2ncc(C)o2)cc1O ZINC000231529683 524090616 /nfs/dbraw/zinc/09/06/16/524090616.db2.gz BWOQREVDTNHJBN-SNVBAGLBSA-N 1 2 262.309 2.548 10 0 CFAELO Cc1cccc(-c2noc(C[N@@H+]3CCS[C@@H](C)C3)n2)c1 ZINC000171690912 524132754 /nfs/dbraw/zinc/13/27/54/524132754.db2.gz LYLXHSMRRXISMR-LBPRGKRZSA-N 1 2 289.404 2.982 10 0 CFAELO Cc1cccc(-c2noc(C[N@H+]3CCS[C@@H](C)C3)n2)c1 ZINC000171690912 524132763 /nfs/dbraw/zinc/13/27/63/524132763.db2.gz LYLXHSMRRXISMR-LBPRGKRZSA-N 1 2 289.404 2.982 10 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CFAELO Cc1ccc([C@H](C)NC(=O)Cc2cn3ccccc3[nH+]2)o1 ZINC000068741924 525891876 /nfs/dbraw/zinc/89/18/76/525891876.db2.gz ODFADVKPXWBUNH-LBPRGKRZSA-N 1 2 283.331 2.656 10 0 CFAELO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2Cl)o1 ZINC000230642222 526122652 /nfs/dbraw/zinc/12/26/52/526122652.db2.gz HCIIMBCSYADICC-SNVBAGLBSA-N 1 2 293.754 2.926 10 0 CFAELO Cc1csc([C@H]2C[N@H+](CCCOC(C)C)CCO2)n1 ZINC000171500853 526444486 /nfs/dbraw/zinc/44/44/86/526444486.db2.gz BMTRFXYUFNCORS-CYBMUJFWSA-N 1 2 284.425 2.640 10 0 CFAELO Cc1csc([C@H]2C[N@@H+](CCCOC(C)C)CCO2)n1 ZINC000171500853 526444492 /nfs/dbraw/zinc/44/44/92/526444492.db2.gz BMTRFXYUFNCORS-CYBMUJFWSA-N 1 2 284.425 2.640 10 0 CFAELO Cc1nc(C)c([C@H](C)Nc2[nH+]cccc2C(N)=S)s1 ZINC000049534714 526756203 /nfs/dbraw/zinc/75/62/03/526756203.db2.gz GXJNJSNJRKPSLN-QMMMGPOBSA-N 1 2 292.433 2.962 10 0 CFAELO Cc1[nH+]c[nH]c1CNc1cccc(-n2cccn2)c1 ZINC000054796104 527215260 /nfs/dbraw/zinc/21/52/60/527215260.db2.gz QJIWYVMMAITMNR-UHFFFAOYSA-N 1 2 253.309 2.516 10 0 CFAELO O=C(Cc1ccc(F)cc1)C[NH+]1Cc2ccccc2C1 ZINC000050911693 527228172 /nfs/dbraw/zinc/22/81/72/527228172.db2.gz NWGZKOYBIGMRIJ-UHFFFAOYSA-N 1 2 269.319 2.953 10 0 CFAELO NNc1ccnc(C2(c3ccccc3)CCCC2)[nH+]1 ZINC000062783098 527285677 /nfs/dbraw/zinc/28/56/77/527285677.db2.gz FDPIZIPJXMGALS-UHFFFAOYSA-N 1 2 254.337 2.622 10 0 CFAELO Nc1ccc(CN2c3cccc4cccc(c34)C2=O)c[nH+]1 ZINC000050829206 527482111 /nfs/dbraw/zinc/48/21/11/527482111.db2.gz YWQPWOHRTXLUQK-UHFFFAOYSA-N 1 2 275.311 2.977 10 0 CFAELO Nc1nc(-c2ccc(OC(F)F)cc2)[nH+]c2c1CCC2 ZINC000050866105 527540327 /nfs/dbraw/zinc/54/03/27/527540327.db2.gz KHEFQVSPOREKCU-UHFFFAOYSA-N 1 2 277.274 2.816 10 0 CFAELO CC[C@H](c1ccccc1)S(=O)(=O)Cc1[nH+]ccn1CC ZINC000173940470 529182793 /nfs/dbraw/zinc/18/27/93/529182793.db2.gz VGUWKJAVXFRPTC-CQSZACIVSA-N 1 2 292.404 2.969 10 0 CFAELO COC[C@@H]([NH3+])c1nc(-c2ccc(C(C)C)cc2)no1 ZINC000167525795 623054720 /nfs/dbraw/zinc/05/47/20/623054720.db2.gz AKLRZAMEGXGMFF-GFCCVEGCSA-N 1 2 261.325 2.506 10 0 CFAELO Ic1ccccc1-c1[nH]cc[nH+]1 ZINC000082733987 178253058 /nfs/dbraw/zinc/25/30/58/178253058.db2.gz MWFINCGKEPUNJT-UHFFFAOYSA-N 1 2 270.073 2.681 10 0 CFAELO C[NH2+][C@@H](c1ccoc1)c1occc1Br ZINC000069946734 346903582 /nfs/dbraw/zinc/90/35/82/346903582.db2.gz BWKRSCXUOHDQLF-VIFPVBQESA-N 1 2 256.099 2.944 10 0 CFAELO CC(C)(C)OC(=O)[C@]1([NH+]2CCCCC2)C=CC(=O)CC1 ZINC000071606290 346922512 /nfs/dbraw/zinc/92/25/12/346922512.db2.gz FGDZFTFMYPFFGQ-INIZCTEOSA-N 1 2 279.380 2.955 10 0 CFAELO Cc1nn(C)c(Cl)c1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000121809771 282267807 /nfs/dbraw/zinc/26/78/07/282267807.db2.gz XNDSZGPIJYUQJW-CYBMUJFWSA-N 1 2 293.802 2.832 10 0 CFAELO Cc1nn(C)c(Cl)c1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000121809771 282267808 /nfs/dbraw/zinc/26/78/08/282267808.db2.gz XNDSZGPIJYUQJW-CYBMUJFWSA-N 1 2 293.802 2.832 10 0 CFAELO C[C@H]([NH2+]Cc1cnn[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000296357798 539512186 /nfs/dbraw/zinc/51/21/86/539512186.db2.gz RPVKNTRZMWDQTD-NSHDSACASA-N 1 2 258.369 2.953 10 0 CFAELO C[C@H]([NH2+]Cc1c[nH]nn1)c1ccc(C(C)(C)C)cc1 ZINC000296357798 539512189 /nfs/dbraw/zinc/51/21/89/539512189.db2.gz RPVKNTRZMWDQTD-NSHDSACASA-N 1 2 258.369 2.953 10 0 CFAELO C[C@H]([NH2+]Cc1cn[nH]n1)c1ccc(C(C)(C)C)cc1 ZINC000296357798 539512194 /nfs/dbraw/zinc/51/21/94/539512194.db2.gz RPVKNTRZMWDQTD-NSHDSACASA-N 1 2 258.369 2.953 10 0 CFAELO CCCCCCNC(=O)OCCCc1c[nH+]c[nH]1 ZINC000013793911 346232869 /nfs/dbraw/zinc/23/28/69/346232869.db2.gz OTVSGTACYBOCJO-UHFFFAOYSA-N 1 2 253.346 2.649 10 0 CFAELO CCCCCCNC(=O)OCCCc1c[nH]c[nH+]1 ZINC000013793911 346232871 /nfs/dbraw/zinc/23/28/71/346232871.db2.gz OTVSGTACYBOCJO-UHFFFAOYSA-N 1 2 253.346 2.649 10 0 CFAELO Cc1ccc(C[NH+]2CCN(CC(=O)c3ccco3)CC2)cc1 ZINC000044440917 346393616 /nfs/dbraw/zinc/39/36/16/346393616.db2.gz ZXBLWGQTWIGJDY-UHFFFAOYSA-N 1 2 298.386 2.589 10 0 CFAELO CC1(C)[C@H](Nc2ccc(N3CCCC3)[nH+]c2)[C@@H]2CCO[C@@H]21 ZINC000085632751 179108363 /nfs/dbraw/zinc/10/83/63/179108363.db2.gz CRGUVKYHFWMDMD-IMJJTQAJSA-N 1 2 287.407 2.907 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352385428 /nfs/dbraw/zinc/38/54/28/352385428.db2.gz IJCUDVPRWFWYPQ-LBPRGKRZSA-N 1 2 295.383 2.726 10 0 CFAELO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H]1c1ncco1 ZINC000616616127 352385431 /nfs/dbraw/zinc/38/54/31/352385431.db2.gz IJCUDVPRWFWYPQ-LBPRGKRZSA-N 1 2 295.383 2.726 10 0 CFAELO CC(C)N1CC[NH2+][C@H](c2ccc3ccccc3n2)C1 ZINC000616631999 352392551 /nfs/dbraw/zinc/39/25/51/352392551.db2.gz CWCSVONRSJMQQQ-INIZCTEOSA-N 1 2 255.365 2.590 10 0 CFAELO CCOC(=O)N1C[C@@H](c2ccc[nH+]c2N)Nc2ccccc21 ZINC000616686879 352413713 /nfs/dbraw/zinc/41/37/13/352413713.db2.gz SZKACARALBGJNK-ZDUSSCGKSA-N 1 2 298.346 2.794 10 0 CFAELO CC(=O)N1c2ccccc2CC[C@H]1c1ccc[nH+]c1N ZINC000616668610 352405665 /nfs/dbraw/zinc/40/56/65/352405665.db2.gz AYIKPLJAFRCELG-HNNXBMFYSA-N 1 2 267.332 2.704 10 0 CFAELO CCOC(=O)N1C[C@H](c2ccc(N)[nH+]c2)Cc2ccccc21 ZINC000616670454 352405954 /nfs/dbraw/zinc/40/59/54/352405954.db2.gz LRIFTVJGHQILJR-CQSZACIVSA-N 1 2 297.358 2.797 10 0 CFAELO O=C(NCCCn1cc[nH+]c1)[C@H]1C[C@H]1C1CCCCC1 ZINC000158192072 188362868 /nfs/dbraw/zinc/36/28/68/188362868.db2.gz BOFCWKACCZPDOA-GJZGRUSLSA-N 1 2 275.396 2.606 10 0 CFAELO Cc1cc(NC(=O)[C@H]2CCCO[C@H]2C(C)C)c(C)c[nH+]1 ZINC000568742003 290568126 /nfs/dbraw/zinc/56/81/26/290568126.db2.gz BWMYATPKTWUALJ-ZFWWWQNUSA-N 1 2 276.380 2.510 10 0 CFAELO Cc1cnc([C@@H](C)Nc2nc(C3CC3)[nH+]c3c2CCC3)o1 ZINC000329236943 202247245 /nfs/dbraw/zinc/24/72/45/202247245.db2.gz JVXBGSGHHHZRRI-SNVBAGLBSA-N 1 2 284.363 2.734 10 0 CFAELO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccccc1F ZINC000176687213 189004166 /nfs/dbraw/zinc/00/41/66/189004166.db2.gz PIIUESROVHFLED-GXFFZTMASA-N 1 2 260.316 2.603 10 0 CFAELO Cc1cccc(S(=O)(=O)Cc2[nH+]ccn2C(C)C)c1 ZINC000176948650 189016561 /nfs/dbraw/zinc/01/65/61/189016561.db2.gz ASYDBPWPLQZKQX-UHFFFAOYSA-N 1 2 278.377 2.746 10 0 CFAELO CC(C)n1cc[nH+]c1C[S@](=O)CCc1ccccc1 ZINC000176879855 189012624 /nfs/dbraw/zinc/01/26/24/189012624.db2.gz JFPOSIFQDAQFCV-LJQANCHMSA-N 1 2 276.405 2.955 10 0 CFAELO Cn1c[nH+]cc1CN1CCCC[C@@H]1c1nccs1 ZINC000177032547 189022961 /nfs/dbraw/zinc/02/29/61/189022961.db2.gz LFLYVDZHPXWHOA-GFCCVEGCSA-N 1 2 262.382 2.604 10 0 CFAELO Cc1cc(C)cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177733626 189066331 /nfs/dbraw/zinc/06/63/31/189066331.db2.gz FJYCBVZRLLHVPJ-MRXNPFEDSA-N 1 2 283.375 2.805 10 0 CFAELO CC[C@H](c1ccncc1)[N@H+](C)Cc1nnc(C)n1CC ZINC000179261459 189181532 /nfs/dbraw/zinc/18/15/32/189181532.db2.gz JSSNPEJIRNRACJ-CQSZACIVSA-N 1 2 273.384 2.585 10 0 CFAELO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nnc(C)n1CC ZINC000179261459 189181533 /nfs/dbraw/zinc/18/15/33/189181533.db2.gz JSSNPEJIRNRACJ-CQSZACIVSA-N 1 2 273.384 2.585 10 0 CFAELO CC[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000220575134 540870953 /nfs/dbraw/zinc/87/09/53/540870953.db2.gz RMLHALRONRZUAQ-CHWSQXEVSA-N 1 2 275.396 2.614 10 0 CFAELO CC[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000220575134 540870955 /nfs/dbraw/zinc/87/09/55/540870955.db2.gz RMLHALRONRZUAQ-CHWSQXEVSA-N 1 2 275.396 2.614 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)C2 ZINC000585356337 540939589 /nfs/dbraw/zinc/93/95/89/540939589.db2.gz FNFCUERKZGZLOU-RTXFEEFZSA-N 1 2 275.396 2.518 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)CC2 ZINC000585356337 540939590 /nfs/dbraw/zinc/93/95/90/540939590.db2.gz FNFCUERKZGZLOU-RTXFEEFZSA-N 1 2 275.396 2.518 10 0 CFAELO CC(C)(C)c1nccc(N2CCC[C@H]2Cn2cc[nH+]c2)n1 ZINC000301531035 201051595 /nfs/dbraw/zinc/05/15/95/201051595.db2.gz HQBJQJUCIAKXQO-ZDUSSCGKSA-N 1 2 285.395 2.640 10 0 CFAELO COCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)n1 ZINC000183039305 189343863 /nfs/dbraw/zinc/34/38/63/189343863.db2.gz ZWPQRPKNAJGYKU-NWDGAFQWSA-N 1 2 275.352 2.936 10 0 CFAELO CC(C)c1nc(N(C)C)nc(N[C@@H](C)c2ccco2)[nH+]1 ZINC000301942547 201271014 /nfs/dbraw/zinc/27/10/14/201271014.db2.gz VQNVLNTZVRTRQH-JTQLQIEISA-N 1 2 275.356 2.827 10 0 CFAELO CC(C)c1nc(N[C@@H](C)c2ccco2)nc(N(C)C)[nH+]1 ZINC000301942547 201271016 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COC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)c1cccs1 ZINC000036980854 372620221 /nfs/dbraw/zinc/62/02/21/372620221.db2.gz AKGWQQWJZOLVPQ-WDEREUQCSA-N 1 2 255.383 2.986 10 0 CFAELO Cc1cc(OCCO)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000053994800 373492827 /nfs/dbraw/zinc/49/28/27/373492827.db2.gz MAAPTRKBRQPUJY-UHFFFAOYSA-N 1 2 271.238 2.933 10 0 CFAELO C[C@@H]1C[NH+](CCOc2ccc(F)cc2Cl)C[C@@H](C)O1 ZINC000091728280 375060179 /nfs/dbraw/zinc/06/01/79/375060179.db2.gz YYTYIBVBNUBSHW-GHMZBOCLSA-N 1 2 287.762 2.967 10 0 CFAELO Cc1noc(Cl)c1CC(=O)Nc1cc[nH+]c(C)c1 ZINC000101631056 375647702 /nfs/dbraw/zinc/64/77/02/375647702.db2.gz NLVJUMCOQAQOLA-UHFFFAOYSA-N 1 2 265.700 2.521 10 0 CFAELO C/C(=C/C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)C1CC1 ZINC000112664662 375940635 /nfs/dbraw/zinc/94/06/35/375940635.db2.gz UQOUKGRZGRWTIC-XFXZXTDPSA-N 1 2 287.407 2.785 10 0 CFAELO CN(C(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000114202568 376051793 /nfs/dbraw/zinc/05/17/93/376051793.db2.gz DJJBQGDVYVDWHK-MRXNPFEDSA-N 1 2 298.390 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C[C@H](NC(=O)C[C@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173940950 379804167 /nfs/dbraw/zinc/80/41/67/379804167.db2.gz CALGXCKXLBHCTQ-XJKSGUPXSA-N 1 2 299.374 2.619 10 0 CFAELO c1cc(C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)c[nH]1 ZINC000175703900 380116432 /nfs/dbraw/zinc/11/64/32/380116432.db2.gz HTNUEBNNXMJXAQ-UHFFFAOYSA-N 1 2 272.352 2.834 10 0 CFAELO Brc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)nc1 ZINC000335971089 380178861 /nfs/dbraw/zinc/17/88/61/380178861.db2.gz RWUTUHXTCFNUCE-SKDRFNHKSA-N 1 2 267.170 2.828 10 0 CFAELO Brc1ccc(C[N@H+]2C[C@H]3CCC[C@@H]32)nc1 ZINC000335971089 380178862 /nfs/dbraw/zinc/17/88/62/380178862.db2.gz RWUTUHXTCFNUCE-SKDRFNHKSA-N 1 2 267.170 2.828 10 0 CFAELO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)o1 ZINC000180653267 380686408 /nfs/dbraw/zinc/68/64/08/380686408.db2.gz COQYTWDQUUFHGT-NEPJUHHUSA-N 1 2 297.362 2.976 10 0 CFAELO CCOc1ccccc1[C@@H](C)[NH2+]Cc1cnns1 ZINC000296279783 381329584 /nfs/dbraw/zinc/32/95/84/381329584.db2.gz KXIJFPYDPGCWDD-SNVBAGLBSA-N 1 2 263.366 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/nfs/dbraw/zinc/67/67/26/393676726.db2.gz RPHYUZOGJPPBQU-CYBMUJFWSA-N 1 2 295.814 2.616 10 0 CFAELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000075682156 393676730 /nfs/dbraw/zinc/67/67/30/393676730.db2.gz RPHYUZOGJPPBQU-CYBMUJFWSA-N 1 2 295.814 2.616 10 0 CFAELO CCc1nnc(C[N@H+](Cc2ccccc2)C2CC2)n1C ZINC000195053623 393729547 /nfs/dbraw/zinc/72/95/47/393729547.db2.gz DPFHNJLZOFWMCI-UHFFFAOYSA-N 1 2 270.380 2.542 10 0 CFAELO CCc1nnc(C[N@@H+](Cc2ccccc2)C2CC2)n1C ZINC000195053623 393729551 /nfs/dbraw/zinc/72/95/51/393729551.db2.gz DPFHNJLZOFWMCI-UHFFFAOYSA-N 1 2 270.380 2.542 10 0 CFAELO CCn1c(C)nnc1C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000195052823 393729730 /nfs/dbraw/zinc/72/97/30/393729730.db2.gz NOUAARLVQOMLGU-OAHLLOKOSA-N 1 2 270.380 2.726 10 0 CFAELO CCn1c(C)nnc1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000195052823 393729734 /nfs/dbraw/zinc/72/97/34/393729734.db2.gz NOUAARLVQOMLGU-OAHLLOKOSA-N 1 2 270.380 2.726 10 0 CFAELO CCn1c(C)nnc1C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000195042620 393729879 /nfs/dbraw/zinc/72/98/79/393729879.db2.gz KBHWIXKALPYAIP-LLVKDONJSA-N 1 2 276.359 2.939 10 0 CFAELO CCn1c(C)nnc1C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000195042620 393729882 /nfs/dbraw/zinc/72/98/82/393729882.db2.gz KBHWIXKALPYAIP-LLVKDONJSA-N 1 2 276.359 2.939 10 0 CFAELO CC(C)c1nc(N2CCC[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC000110537888 393881778 /nfs/dbraw/zinc/88/17/78/393881778.db2.gz KBNQQLMTEWHIAI-ZDUSSCGKSA-N 1 2 271.368 2.675 10 0 CFAELO c1n[nH]cc1[C@@H]1CCCC[N@H+]1Cc1cn2ccccc2n1 ZINC000114482439 393900434 /nfs/dbraw/zinc/90/04/34/393900434.db2.gz AHRLNFJBVSOFSR-HNNXBMFYSA-N 1 2 281.363 2.785 10 0 CFAELO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000114482439 393900437 /nfs/dbraw/zinc/90/04/37/393900437.db2.gz AHRLNFJBVSOFSR-HNNXBMFYSA-N 1 2 281.363 2.785 10 0 CFAELO CC(C)n1ncc2cc(C[N@H+]3[C@H](C)COC[C@@H]3C)cnc21 ZINC000120959993 393944697 /nfs/dbraw/zinc/94/46/97/393944697.db2.gz QCAGBFWSTBUHOQ-BETUJISGSA-N 1 2 288.395 2.621 10 0 CFAELO CC(C)n1ncc2cc(C[N@@H+]3[C@H](C)COC[C@@H]3C)cnc21 ZINC000120959993 393944700 /nfs/dbraw/zinc/94/47/00/393944700.db2.gz QCAGBFWSTBUHOQ-BETUJISGSA-N 1 2 288.395 2.621 10 0 CFAELO CC(C)(C)CCCNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000156610374 394336187 /nfs/dbraw/zinc/33/61/87/394336187.db2.gz MXINOYIPVOXKOK-CYBMUJFWSA-N 1 2 292.427 2.676 10 0 CFAELO CC(C)(C)CCCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000156610374 394336189 /nfs/dbraw/zinc/33/61/89/394336189.db2.gz MXINOYIPVOXKOK-CYBMUJFWSA-N 1 2 292.427 2.676 10 0 CFAELO Cc1ccc([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)o1 ZINC000193340292 543088849 /nfs/dbraw/zinc/08/88/49/543088849.db2.gz LRINNYUUSLJRAJ-CQSZACIVSA-N 1 2 287.363 2.998 10 0 CFAELO Cc1ccc([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)o1 ZINC000193340292 543088853 /nfs/dbraw/zinc/08/88/53/543088853.db2.gz LRINNYUUSLJRAJ-CQSZACIVSA-N 1 2 287.363 2.998 10 0 CFAELO C[C@H]1CN(c2[nH+]ccc3c(N)cccc32)CCS1 ZINC000663543522 413268761 /nfs/dbraw/zinc/26/87/61/413268761.db2.gz YJUXBDAPBUUTLP-JTQLQIEISA-N 1 2 259.378 2.759 10 0 CFAELO CCOC(=O)[C@H](CC)[NH+]1CCC(c2nccs2)CC1 ZINC000363287107 156170202 /nfs/dbraw/zinc/17/02/02/156170202.db2.gz ZYSACUBSAOTNMK-LBPRGKRZSA-N 1 2 282.409 2.664 10 0 CFAELO COc1ccc(NC2=[NH+]CCCS2)c(OC)c1 ZINC000008702125 170347191 /nfs/dbraw/zinc/34/71/91/170347191.db2.gz SZXAIPUKUNAEJU-UHFFFAOYSA-N 1 2 252.339 2.609 10 0 CFAELO CCn1c[nH+]cc1CNc1cccc(-n2cccn2)c1 ZINC000020513787 171231690 /nfs/dbraw/zinc/23/16/90/171231690.db2.gz BKUCMJXDDLJWMA-UHFFFAOYSA-N 1 2 267.336 2.701 10 0 CFAELO Nc1ccc[nH+]c1Nc1ccc2c(c1)OCCCO2 ZINC000020585015 171258823 /nfs/dbraw/zinc/25/88/23/171258823.db2.gz KCKLIWNEADODMO-UHFFFAOYSA-N 1 2 257.293 2.569 10 0 CFAELO CC(C)Cc1noc([C@@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000022150932 171358749 /nfs/dbraw/zinc/35/87/49/171358749.db2.gz RSNFFKQWZORDQT-ZDUSSCGKSA-N 1 2 257.337 2.655 10 0 CFAELO Cc1[nH+]c2ccccc2n1Cc1nnsc1Cl ZINC000035163555 172024493 /nfs/dbraw/zinc/02/44/93/172024493.db2.gz LUHDYQHDUWVISX-UHFFFAOYSA-N 1 2 264.741 2.898 10 0 CFAELO OCc1cc(Cl)cc(Cl)c1OCCn1cc[nH+]c1 ZINC000035662619 172340061 /nfs/dbraw/zinc/34/00/61/172340061.db2.gz JKOVZSCPQITBHH-UHFFFAOYSA-N 1 2 287.146 2.761 10 0 CFAELO Cc1nn(C)c(Cl)c1CSc1ccc(N)[nH+]c1 ZINC000037192224 173021499 /nfs/dbraw/zinc/02/14/99/173021499.db2.gz LBQYXNUMXRRDFR-UHFFFAOYSA-N 1 2 268.773 2.651 10 0 CFAELO Nc1ccc(SCC(=O)Nc2ccc(F)cc2)c[nH+]1 ZINC000037192672 173021891 /nfs/dbraw/zinc/02/18/91/173021891.db2.gz KOHULQGWLMVWBW-UHFFFAOYSA-N 1 2 277.324 2.534 10 0 CFAELO Cc1ccc(NC(=O)CSc2ccc(N)[nH+]c2)cc1 ZINC000037192678 173022081 /nfs/dbraw/zinc/02/20/81/173022081.db2.gz NHPYBGWLDXGXGU-UHFFFAOYSA-N 1 2 273.361 2.703 10 0 CFAELO C[C@@H](N[C@@H](c1ccco1)c1[nH+]ccn1C)c1ccccn1 ZINC000037218858 173036783 /nfs/dbraw/zinc/03/67/83/173036783.db2.gz GYAMJPLTISEQIF-DOMZBBRYSA-N 1 2 282.347 2.848 10 0 CFAELO CC[N@H+](CC(=O)c1ccc(OC)c(F)c1)C1CC1 ZINC000037334113 173135463 /nfs/dbraw/zinc/13/54/63/173135463.db2.gz UJCLUSOGACNSOH-UHFFFAOYSA-N 1 2 251.301 2.501 10 0 CFAELO CC[N@@H+](CC(=O)c1ccc(OC)c(F)c1)C1CC1 ZINC000037334113 173135466 /nfs/dbraw/zinc/13/54/66/173135466.db2.gz UJCLUSOGACNSOH-UHFFFAOYSA-N 1 2 251.301 2.501 10 0 CFAELO CC[C@@H](C(=O)c1ccccc1)[N@@H+]1CCOC(C)(C)C1 ZINC000037339868 173141159 /nfs/dbraw/zinc/14/11/59/173141159.db2.gz QYOXJWZAIXXXGD-AWEZNQCLSA-N 1 2 261.365 2.759 10 0 CFAELO CC[C@@H](C(=O)c1ccccc1)[N@H+]1CCOC(C)(C)C1 ZINC000037339868 173141160 /nfs/dbraw/zinc/14/11/60/173141160.db2.gz QYOXJWZAIXXXGD-AWEZNQCLSA-N 1 2 261.365 2.759 10 0 CFAELO COc1ccc(C(=O)Cn2cc[nH+]c2)cc1Br ZINC000037340539 173142298 /nfs/dbraw/zinc/14/22/98/173142298.db2.gz HNFOHXSGIVHXMD-UHFFFAOYSA-N 1 2 295.136 2.537 10 0 CFAELO Cc1c(C)n(Cc2ccccc2)c2nc(C)[nH+]c(N)c12 ZINC000037353088 173146430 /nfs/dbraw/zinc/14/64/30/173146430.db2.gz BKRCHUQQCFFYRP-UHFFFAOYSA-N 1 2 266.348 2.987 10 0 CFAELO Nc1c(NCc2ccccn2)ccc2[nH+]cccc12 ZINC000037377607 173166687 /nfs/dbraw/zinc/16/66/87/173166687.db2.gz KDLHMAZJTDTCOW-UHFFFAOYSA-N 1 2 250.305 2.824 10 0 CFAELO CCOC(=O)[C@](CC)([NH2+]C(C)C)c1ccc(O)cc1 ZINC000037446091 173212781 /nfs/dbraw/zinc/21/27/81/173212781.db2.gz JWJHXARICUVEJG-OAHLLOKOSA-N 1 2 265.353 2.559 10 0 CFAELO CCOC(=O)[C@](C)(CCc1ccccc1)[NH2+]C(C)C ZINC000037446228 173213217 /nfs/dbraw/zinc/21/32/17/173213217.db2.gz AACCDTFCUICVBM-INIZCTEOSA-N 1 2 263.381 2.939 10 0 CFAELO CC[NH2+][C@]1(C(=O)OC)CCC(C)(C)c2ccccc21 ZINC000037447022 173214480 /nfs/dbraw/zinc/21/44/80/173214480.db2.gz KDHHSZFVQDTIJZ-MRXNPFEDSA-N 1 2 261.365 2.736 10 0 CFAELO O=c1nc(C[NH2+]CCCc2ccccc2)[nH]c2ccsc21 ZINC000037485869 173229409 /nfs/dbraw/zinc/22/94/09/173229409.db2.gz RFVCJCNAYHNTKA-UHFFFAOYSA-N 1 2 299.399 2.707 10 0 CFAELO C[C@H]1C[NH+](Cc2ccc(N)cc2Br)C[C@H](C)O1 ZINC000037515880 173247299 /nfs/dbraw/zinc/24/72/99/173247299.db2.gz CBNCMHBLDWTWBG-UWVGGRQHSA-N 1 2 299.212 2.641 10 0 CFAELO COC(=O)[C@](C)([NH2+]CC1CC1)c1cccc(OC(F)F)c1 ZINC000037967950 173913821 /nfs/dbraw/zinc/91/38/21/173913821.db2.gz URZDYWYBIDYQPS-OAHLLOKOSA-N 1 2 299.317 2.676 10 0 CFAELO Cc1noc(C[NH2+][C@H]2CCCOc3c(C)cccc32)n1 ZINC000038034003 174032413 /nfs/dbraw/zinc/03/24/13/174032413.db2.gz AQPAHBWNOKWVQN-ZDUSSCGKSA-N 1 2 273.336 2.690 10 0 CFAELO Nc1ccc(-n2cc(Br)cn2)c2cc[nH+]cc12 ZINC000038053968 174065771 /nfs/dbraw/zinc/06/57/71/174065771.db2.gz OJYGBTKWTBKLKK-UHFFFAOYSA-N 1 2 289.136 2.765 10 0 CFAELO CC[C@H](C)[NH2+][C@@](CC)(C(=O)OC)c1ccc(O)cc1 ZINC000038066619 174077515 /nfs/dbraw/zinc/07/75/15/174077515.db2.gz XZOONBQCLNKWFZ-XHDPSFHLSA-N 1 2 265.353 2.559 10 0 CFAELO CCOC(=O)[C@@](C)([NH2+][C@@H](C)CC)c1ccc(O)cc1 ZINC000038067747 174080061 /nfs/dbraw/zinc/08/00/61/174080061.db2.gz UGCNJFWZFSXVQJ-NHYWBVRUSA-N 1 2 265.353 2.559 10 0 CFAELO O=C(Cn1c2ccccc2[nH+]c1C1CC1)N1CCCC1 ZINC000040231719 174210769 /nfs/dbraw/zinc/21/07/69/174210769.db2.gz AFKRSSQNVNPRFV-UHFFFAOYSA-N 1 2 269.348 2.536 10 0 CFAELO CCCc1[nH+]c2ccccc2n1CC(=O)NC(C)(C)C ZINC000040295706 174223944 /nfs/dbraw/zinc/22/39/44/174223944.db2.gz FKAZFWYEHWWNBJ-UHFFFAOYSA-N 1 2 273.380 2.904 10 0 CFAELO COC(=O)c1occc1C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040518309 174307833 /nfs/dbraw/zinc/30/78/33/174307833.db2.gz IQHAYSQTEOKUMW-QMMMGPOBSA-N 1 2 294.376 2.990 10 0 CFAELO CCCNc1nc[nH+]c(N(C)Cc2ccccc2)c1N ZINC000040662155 174365758 /nfs/dbraw/zinc/36/57/58/174365758.db2.gz WANBFOKECQBORX-UHFFFAOYSA-N 1 2 271.368 2.517 10 0 CFAELO Cc1ccnc(Nc2nc[nH+]c(NCc3ccco3)c2N)c1 ZINC000040701333 174379212 /nfs/dbraw/zinc/37/92/12/174379212.db2.gz RELFUUMNQXYAPN-UHFFFAOYSA-N 1 2 296.334 2.711 10 0 CFAELO Cc1ccc(Cl)cc1Nc1[nH+]cnc(N(C)C)c1N ZINC000040704791 174379650 /nfs/dbraw/zinc/37/96/50/174379650.db2.gz LPRLZDHGHOQLPR-UHFFFAOYSA-N 1 2 277.759 2.830 10 0 CFAELO Cc1ccc(Cl)cc1Nc1nc[nH+]c(N(C)C)c1N ZINC000040704791 174379652 /nfs/dbraw/zinc/37/96/52/174379652.db2.gz LPRLZDHGHOQLPR-UHFFFAOYSA-N 1 2 277.759 2.830 10 0 CFAELO CC(C)CN(CC(C)C)c1nc[nH+]c(N2CCCC2)c1N ZINC000040724265 174386789 /nfs/dbraw/zinc/38/67/89/174386789.db2.gz IMTCOBWJMCMGLU-UHFFFAOYSA-N 1 2 291.443 2.777 10 0 CFAELO CC(C)CN(CC(C)C)c1[nH+]cnc(N2CCCC2)c1N ZINC000040724265 174386790 /nfs/dbraw/zinc/38/67/90/174386790.db2.gz IMTCOBWJMCMGLU-UHFFFAOYSA-N 1 2 291.443 2.777 10 0 CFAELO CC(=O)Nc1cccc([C@H](C)Nc2cc(C)[nH+]cn2)c1 ZINC000040727304 174387765 /nfs/dbraw/zinc/38/77/65/174387765.db2.gz YASGZBFVZJNFIU-NSHDSACASA-N 1 2 270.336 2.917 10 0 CFAELO Cc1ccc(C(N)=S)c(N[C@H](C)c2cccnc2)[nH+]1 ZINC000043396653 175035974 /nfs/dbraw/zinc/03/59/74/175035974.db2.gz BDYIUVMECNKEBL-SNVBAGLBSA-N 1 2 272.377 2.592 10 0 CFAELO COc1cccc(CNc2[nH+]c(C)ccc2C(N)=S)c1 ZINC000043396752 175035978 /nfs/dbraw/zinc/03/59/78/175035978.db2.gz XARYLZRMJUJVFM-UHFFFAOYSA-N 1 2 287.388 2.645 10 0 CFAELO Cc1ccc(C(N)=S)c(N(C)Cc2ccccc2F)[nH+]1 ZINC000043396774 175036173 /nfs/dbraw/zinc/03/61/73/175036173.db2.gz VKFMFBMTDXEZSQ-UHFFFAOYSA-N 1 2 289.379 2.800 10 0 CFAELO CCC[C@@H](C)N(C)c1[nH+]c(C)ccc1C(N)=S ZINC000043396700 175036224 /nfs/dbraw/zinc/03/62/24/175036224.db2.gz FLBQTDOUHSZWPY-SNVBAGLBSA-N 1 2 251.399 2.649 10 0 CFAELO Cc1ccc(C(N)=S)c(NCCc2ccsc2)[nH+]1 ZINC000043396861 175036228 /nfs/dbraw/zinc/03/62/28/175036228.db2.gz QQQHWZLSVRNOHZ-UHFFFAOYSA-N 1 2 277.418 2.740 10 0 CFAELO Cc1ccc(C(N)=S)c(N(CC2CC2)C(C)C)[nH+]1 ZINC000043396996 175036532 /nfs/dbraw/zinc/03/65/32/175036532.db2.gz RAWCHKITYKNDKP-UHFFFAOYSA-N 1 2 263.410 2.649 10 0 CFAELO CC1(C)C[C@@H](O)c2ccc(OCCn3cc[nH+]c3)cc2O1 ZINC000043460741 175051502 /nfs/dbraw/zinc/05/15/02/175051502.db2.gz RSHCCOATQGBVRD-CQSZACIVSA-N 1 2 288.347 2.557 10 0 CFAELO O=C(Cc1[nH]cc[nH+]1)c1ccc(F)c(C(F)(F)F)c1 ZINC000043566410 175067078 /nfs/dbraw/zinc/06/70/78/175067078.db2.gz APYNSTAFDYXIEX-UHFFFAOYSA-N 1 2 272.201 2.993 10 0 CFAELO CCOC(=O)[C@H](C)C[NH2+]c1ccc(OC)c(C)c1 ZINC000043613882 175079223 /nfs/dbraw/zinc/07/92/23/175079223.db2.gz ZSXINCROPXXICF-LLVKDONJSA-N 1 2 251.326 2.615 10 0 CFAELO Nc1cc(-c2ccc(Cl)cc2)[nH+]c(N2CCCC2)n1 ZINC000044263405 175157140 /nfs/dbraw/zinc/15/71/40/175157140.db2.gz ULGORSWGIMTCDC-UHFFFAOYSA-N 1 2 274.755 2.979 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H](C)c2ccc(C)s2)c1N ZINC000044591454 175212888 /nfs/dbraw/zinc/21/28/88/175212888.db2.gz ZMJMNSDCGBEPDL-SECBINFHSA-N 1 2 293.392 2.930 10 0 CFAELO CC[C@H](C)[C@H]([NH2+][C@@H]1CCCc2cc(O)ccc21)C(=O)OC ZINC000044747245 175242534 /nfs/dbraw/zinc/24/25/34/175242534.db2.gz IPDNVGNUGJEAAP-XZJROXQQSA-N 1 2 291.391 2.947 10 0 CFAELO CCCNC(=O)CC[NH2+]c1ccc(N)c(C(F)(F)F)c1 ZINC000045071975 175301647 /nfs/dbraw/zinc/30/16/47/175301647.db2.gz NPHJDTVFHSHQQJ-UHFFFAOYSA-N 1 2 289.301 2.616 10 0 CFAELO CCC[NH2+][C@](C)(CN(CC)c1ccccc1C)C(=O)OC ZINC000045223013 175331281 /nfs/dbraw/zinc/33/12/81/175331281.db2.gz AORPJRBTKCKJGK-QGZVFWFLSA-N 1 2 292.423 2.753 10 0 CFAELO CCCC[NH+](CCCC)C[C@@](C)([NH2+]CCC)C(=O)[O-] ZINC000045232672 175336013 /nfs/dbraw/zinc/33/60/13/175336013.db2.gz NWIDPUYLFCLWNN-OAHLLOKOSA-N 1 2 272.433 2.732 10 0 CFAELO CCC(CC)C[N@H+](CC)C[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045277755 175347516 /nfs/dbraw/zinc/34/75/16/175347516.db2.gz GAJLMGDQNXAKSI-HNNXBMFYSA-N 1 2 272.433 2.586 10 0 CFAELO CCC(CC)C[N@@H+](CC)C[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045277755 175347518 /nfs/dbraw/zinc/34/75/18/175347518.db2.gz GAJLMGDQNXAKSI-HNNXBMFYSA-N 1 2 272.433 2.586 10 0 CFAELO CCC[NH2+][C@H](CN(CC)c1cccc(C)c1)C(=O)OCC ZINC000045420020 175377633 /nfs/dbraw/zinc/37/76/33/175377633.db2.gz MDIBRYJFYIFDQD-MRXNPFEDSA-N 1 2 292.423 2.753 10 0 CFAELO COc1nc2sccn2c1CNc1c[nH+]ccc1C ZINC000071413761 176158927 /nfs/dbraw/zinc/15/89/27/176158927.db2.gz NACGANIMONSJAR-UHFFFAOYSA-N 1 2 274.349 2.720 10 0 CFAELO C[C@@H]1COC[C@@H](C)N1Cc1[nH+]ccn1Cc1ccccc1 ZINC000077367181 177258581 /nfs/dbraw/zinc/25/85/81/177258581.db2.gz JFWSMYMWQBCPPY-HUUCEWRRSA-N 1 2 285.391 2.541 10 0 CFAELO CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000227035268 270257239 /nfs/dbraw/zinc/25/72/39/270257239.db2.gz LDTSBFQYCLSPNV-GHMZBOCLSA-N 1 2 281.318 2.993 10 0 CFAELO CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000227035268 270257241 /nfs/dbraw/zinc/25/72/41/270257241.db2.gz LDTSBFQYCLSPNV-GHMZBOCLSA-N 1 2 281.318 2.993 10 0 CFAELO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)[nH]1 ZINC000392346680 270306793 /nfs/dbraw/zinc/30/67/93/270306793.db2.gz NPLJBYRUWHEEMD-YUMQZZPRSA-N 1 2 266.295 2.803 10 0 CFAELO COC(=O)[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)c1ccccc1 ZINC000397874645 270319815 /nfs/dbraw/zinc/31/98/15/270319815.db2.gz YLHMKNCADDMTMW-IACUBPJLSA-N 1 2 261.365 2.925 10 0 CFAELO C[C@H]([NH2+]Cc1cnn[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000398325487 270321695 /nfs/dbraw/zinc/32/16/95/270321695.db2.gz OJGBCLMQYGSWSH-ZETCQYMHSA-N 1 2 271.151 2.962 10 0 CFAELO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(CC)[nH]2)C12CCCC2 ZINC000181764852 276361657 /nfs/dbraw/zinc/36/16/57/276361657.db2.gz YYGCAXQYTBQFIX-OLZOCXBDSA-N 1 2 292.427 2.537 10 0 CFAELO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(CC)[nH]2)C12CCCC2 ZINC000181764852 276361659 /nfs/dbraw/zinc/36/16/59/276361659.db2.gz YYGCAXQYTBQFIX-OLZOCXBDSA-N 1 2 292.427 2.537 10 0 CFAELO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000249735321 279100040 /nfs/dbraw/zinc/10/00/40/279100040.db2.gz DNDKKOKAULVQTE-ARFHVFGLSA-N 1 2 296.455 2.523 10 0 CFAELO CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000249735321 279100041 /nfs/dbraw/zinc/10/00/41/279100041.db2.gz DNDKKOKAULVQTE-ARFHVFGLSA-N 1 2 296.455 2.523 10 0 CFAELO Cc1cc(N)nc(SCc2noc(-c3ccccc3)n2)[nH+]1 ZINC000078748364 280531200 /nfs/dbraw/zinc/53/12/00/280531200.db2.gz FCBGAXATMKUEFK-UHFFFAOYSA-N 1 2 299.359 2.710 10 0 CFAELO CCn1cc[nH+]c1C[S@@](=O)Cc1cc(C)ccc1C ZINC000081527099 280544544 /nfs/dbraw/zinc/54/45/44/280544544.db2.gz JWAXXFPLXQEKML-LJQANCHMSA-N 1 2 276.405 2.969 10 0 CFAELO COC(=O)c1oc([C@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000247439647 281011775 /nfs/dbraw/zinc/01/17/75/281011775.db2.gz WLWPBGUHEWLWEN-SRVKXCTJSA-N 1 2 281.352 2.545 10 0 CFAELO C[C@H]([NH2+][C@@H]1CC(=O)N(C)c2ccccc21)c1nccs1 ZINC000080265185 289999364 /nfs/dbraw/zinc/99/93/64/289999364.db2.gz NFNOFUWAZSNCIG-CMPLNLGQSA-N 1 2 287.388 2.902 10 0 CFAELO C[C@H]1CC(CC[N@H+](C)Cc2nnc[nH]2)C[C@H](C)C1 ZINC000177103075 290341385 /nfs/dbraw/zinc/34/13/85/290341385.db2.gz JPBRCHZIUMYSLL-VXGBXAGGSA-N 1 2 250.390 2.699 10 0 CFAELO C[C@H]1CC(CC[N@@H+](C)Cc2nnc[nH]2)C[C@H](C)C1 ZINC000177103075 290341386 /nfs/dbraw/zinc/34/13/86/290341386.db2.gz JPBRCHZIUMYSLL-VXGBXAGGSA-N 1 2 250.390 2.699 10 0 CFAELO Cc1cc(N2C[C@@H](C)OC[C@H]2c2ccccc2)nc[nH+]1 ZINC000252587209 301343341 /nfs/dbraw/zinc/34/33/41/301343341.db2.gz WIXIEMHBJVCKJU-HIFRSBDPSA-N 1 2 269.348 2.751 10 0 CFAELO CCn1cc[nH+]c1CSc1nnc(-c2ccccc2)n1C ZINC000195516881 324108181 /nfs/dbraw/zinc/10/81/81/324108181.db2.gz BOLOFVPEPNMZDA-UHFFFAOYSA-N 1 2 299.403 2.991 10 0 CFAELO CC(C)Cc1ncc(C[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000156575863 500576576 /nfs/dbraw/zinc/57/65/76/500576576.db2.gz DMGUNKLNWVTUOK-RYUDHWBXSA-N 1 2 268.426 2.951 10 0 CFAELO CC[NH2+][C@@H](CCOC1CCC(C)CC1)C(=O)OCC ZINC000062544161 520091062 /nfs/dbraw/zinc/09/10/62/520091062.db2.gz DNGMOJWDOUELGH-RUXDESIVSA-N 1 2 271.401 2.513 10 0 CFAELO CCCCCCOCC[C@@H]([NH2+]CC)C(=O)OCC ZINC000062542376 520100743 /nfs/dbraw/zinc/10/07/43/520100743.db2.gz WEFNKOMPSMMIEC-CYBMUJFWSA-N 1 2 259.390 2.515 10 0 CFAELO CCCNc1cc(CSCC(=O)OCC)cc[nH+]1 ZINC000052756417 520138775 /nfs/dbraw/zinc/13/87/75/520138775.db2.gz VVJWNQWZZCLIHC-UHFFFAOYSA-N 1 2 268.382 2.700 10 0 CFAELO CC(C)n1nnnc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000195026866 520141380 /nfs/dbraw/zinc/14/13/80/520141380.db2.gz RACGKCZMNIGEKA-LLVKDONJSA-N 1 2 277.397 2.653 10 0 CFAELO CC(C)n1nnnc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000195026866 520141384 /nfs/dbraw/zinc/14/13/84/520141384.db2.gz RACGKCZMNIGEKA-LLVKDONJSA-N 1 2 277.397 2.653 10 0 CFAELO CCCNc1ccc(Cn2c3ccccc3oc2=O)c[nH+]1 ZINC000050829046 520165104 /nfs/dbraw/zinc/16/51/04/520165104.db2.gz WDYJHFLIZXHNFF-UHFFFAOYSA-N 1 2 283.331 2.860 10 0 CFAELO CCCNc1nc(C[N@H+](C)CCOC)nc2sccc21 ZINC000050817499 520188504 /nfs/dbraw/zinc/18/85/04/520188504.db2.gz JCSKDBYWJBHPKN-UHFFFAOYSA-N 1 2 294.424 2.591 10 0 CFAELO CCCNc1nc(C[N@@H+](C)CCOC)nc2sccc21 ZINC000050817499 520188505 /nfs/dbraw/zinc/18/85/05/520188505.db2.gz JCSKDBYWJBHPKN-UHFFFAOYSA-N 1 2 294.424 2.591 10 0 CFAELO CCNc1cc(C)[nH+]c(Cc2ccc(OC)cc2)n1 ZINC000050848890 520270067 /nfs/dbraw/zinc/27/00/67/520270067.db2.gz NYFMCUYVACPOJU-UHFFFAOYSA-N 1 2 257.337 2.816 10 0 CFAELO CCNc1snnc1C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000050814912 520384543 /nfs/dbraw/zinc/38/45/43/520384543.db2.gz WIOQFXXADBOXIC-VIFPVBQESA-N 1 2 256.419 2.836 10 0 CFAELO CCNc1snnc1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000050814912 520384549 /nfs/dbraw/zinc/38/45/49/520384549.db2.gz WIOQFXXADBOXIC-VIFPVBQESA-N 1 2 256.419 2.836 10 0 CFAELO CCNc1nc(-c2ccc(OC)c(O)c2)[nH+]c(C)c1C ZINC000050865978 520351587 /nfs/dbraw/zinc/35/15/87/520351587.db2.gz RJQBIWDQZFLUIF-UHFFFAOYSA-N 1 2 273.336 2.906 10 0 CFAELO CCNc1nc(-c2ccc3c(c2)OCO3)[nH+]c(C)c1C ZINC000050866031 520352239 /nfs/dbraw/zinc/35/22/39/520352239.db2.gz GBMPGHLEMMGNSR-UHFFFAOYSA-N 1 2 271.320 2.921 10 0 CFAELO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1Cc1ncccn1 ZINC000191986852 520511342 /nfs/dbraw/zinc/51/13/42/520511342.db2.gz GEEOKJLTJHFIKW-HNNXBMFYSA-N 1 2 283.375 2.829 10 0 CFAELO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1Cc1ncccn1 ZINC000191986852 520511347 /nfs/dbraw/zinc/51/13/47/520511347.db2.gz GEEOKJLTJHFIKW-HNNXBMFYSA-N 1 2 283.375 2.829 10 0 CFAELO CC[N@H+](CCCNC(=O)[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000246046393 521018822 /nfs/dbraw/zinc/01/88/22/521018822.db2.gz POHBADODKGVSQK-GDBMZVCRSA-N 1 2 290.407 2.587 10 0 CFAELO CC[N@@H+](CCCNC(=O)[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000246046393 521018825 /nfs/dbraw/zinc/01/88/25/521018825.db2.gz POHBADODKGVSQK-GDBMZVCRSA-N 1 2 290.407 2.587 10 0 CFAELO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000049368521 521027706 /nfs/dbraw/zinc/02/77/06/521027706.db2.gz QBLUPFWIHKVIRA-IUODEOHRSA-N 1 2 261.365 2.995 10 0 CFAELO CCOC(=O)[C@@H](C)[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000049371427 521029094 /nfs/dbraw/zinc/02/90/94/521029094.db2.gz YVHGNPQQOKJJDK-IUODEOHRSA-N 1 2 261.365 2.987 10 0 CFAELO CCOC(=O)[C@@H](CCOC(C)(C)CC)[NH2+]C(C)C ZINC000062543186 521060114 /nfs/dbraw/zinc/06/01/14/521060114.db2.gz VCQIXVPIEFPLPY-GFCCVEGCSA-N 1 2 259.390 2.511 10 0 CFAELO CCOC(=O)[C@H](C)[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000049371425 521210800 /nfs/dbraw/zinc/21/08/00/521210800.db2.gz YVHGNPQQOKJJDK-WFASDCNBSA-N 1 2 261.365 2.987 10 0 CFAELO C[NH2+][C@H](c1nnc([C@H]2CCCCO2)o1)c1ccccc1 ZINC000050973860 522488301 /nfs/dbraw/zinc/48/83/01/522488301.db2.gz MIZKHKFRFXGNEK-OLZOCXBDSA-N 1 2 273.336 2.620 10 0 CFAELO CNc1ccc(CN2C(=O)CCc3ccc(F)cc32)c[nH+]1 ZINC000050828985 522607044 /nfs/dbraw/zinc/60/70/44/522607044.db2.gz WKEPXULLRAEGGL-UHFFFAOYSA-N 1 2 285.322 2.742 10 0 CFAELO CNc1[nH+]c2cc(OC)ccc2cc1CSCCO ZINC000050838702 522687915 /nfs/dbraw/zinc/68/79/15/522687915.db2.gz LSEZQGPSXUAZLC-UHFFFAOYSA-N 1 2 278.377 2.511 10 0 CFAELO CC[C@@H]([NH2+]c1ccc(N)c(C(=O)OC)c1)C(C)C ZINC000049148660 522958398 /nfs/dbraw/zinc/95/83/98/522958398.db2.gz CLOKPHILXUDESD-CYBMUJFWSA-N 1 2 250.342 2.902 10 0 CFAELO COCc1cccc(C[NH2+][C@H](C)c2ncc(C)o2)c1 ZINC000220908295 523059571 /nfs/dbraw/zinc/05/95/71/523059571.db2.gz RGXZVXMGIFOPLT-GFCCVEGCSA-N 1 2 260.337 2.980 10 0 CFAELO COc1ccc(-c2nc(N)c3c([nH+]2)CCCC3)cc1 ZINC000050846817 523219832 /nfs/dbraw/zinc/21/98/32/523219832.db2.gz KOQKYCPYNMLKKA-UHFFFAOYSA-N 1 2 255.321 2.613 10 0 CFAELO CN(Cc1ccccc1Cl)c1cccc(CO)[nH+]1 ZINC000051041938 523365731 /nfs/dbraw/zinc/36/57/31/523365731.db2.gz ICKSHJSWBLSDOP-UHFFFAOYSA-N 1 2 262.740 2.864 10 0 CFAELO C[N@H+](Cc1ccsc1)Cc1nc2sccc2c(N)n1 ZINC000050813528 523487459 /nfs/dbraw/zinc/48/74/59/523487459.db2.gz CDAFETZYRCXCGN-UHFFFAOYSA-N 1 2 290.417 2.967 10 0 CFAELO C[N@@H+](Cc1ccsc1)Cc1nc2sccc2c(N)n1 ZINC000050813528 523487472 /nfs/dbraw/zinc/48/74/72/523487472.db2.gz CDAFETZYRCXCGN-UHFFFAOYSA-N 1 2 290.417 2.967 10 0 CFAELO CCn1cc[nH+]c1CS(=O)(=O)c1ccc(Cl)cc1 ZINC000195516826 523544063 /nfs/dbraw/zinc/54/40/63/523544063.db2.gz OKLHPLSJBVYHRR-UHFFFAOYSA-N 1 2 284.768 2.530 10 0 CFAELO COC(=O)[C@@H](CC(C)C)[NH2+]Cc1ccc(F)cc1C ZINC000050575096 523567239 /nfs/dbraw/zinc/56/72/39/523567239.db2.gz XWGFNLSDAOQTRU-CQSZACIVSA-N 1 2 267.344 2.811 10 0 CFAELO COC(=O)[C@H](CC(C)C)[NH2+]Cc1c[nH]c2ccccc12 ZINC000049138236 523895330 /nfs/dbraw/zinc/89/53/30/523895330.db2.gz QFJTYNIKKPFHPD-HNNXBMFYSA-N 1 2 274.364 2.845 10 0 CFAELO CN(C)C(=O)[C@H]([NH2+][C@@H]1COc2ccccc21)c1ccccc1 ZINC000172085708 524014394 /nfs/dbraw/zinc/01/43/94/524014394.db2.gz FYOPSUIFGLUPFG-NVXWUHKLSA-N 1 2 296.370 2.539 10 0 CFAELO CCc1ccc([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000155764184 524045053 /nfs/dbraw/zinc/04/50/53/524045053.db2.gz XTMQGPJCYCUBGO-XJKSGUPXSA-N 1 2 297.402 2.885 10 0 CFAELO C[C@@H](C(=O)Nc1ccccc1N)[NH+]1Cc2ccccc2C1 ZINC000050909909 524280239 /nfs/dbraw/zinc/28/02/39/524280239.db2.gz VHRKBSMDNYXCQB-LBPRGKRZSA-N 1 2 281.359 2.612 10 0 CFAELO C[C@H](C[NH+]1CCOCC1)n1c2cccc(F)c2[nH]c1=S ZINC000049510160 524360700 /nfs/dbraw/zinc/36/07/00/524360700.db2.gz AZCMBAHMGUSTDX-SNVBAGLBSA-N 1 2 295.383 2.731 10 0 CFAELO COc1ccc(OC)c(C[NH2+][C@H](C)c2ncc(C)o2)c1 ZINC000220901575 524839818 /nfs/dbraw/zinc/83/98/18/524839818.db2.gz NDZUVMKYWHEXHR-LLVKDONJSA-N 1 2 276.336 2.851 10 0 CFAELO Cc1ccc(F)cc1Nc1cc[nH+]c(C(N)=S)c1 ZINC000061812182 524870770 /nfs/dbraw/zinc/87/07/70/524870770.db2.gz KSDIJVFNMXSGBF-UHFFFAOYSA-N 1 2 261.325 2.907 10 0 CFAELO C[C@@H]([NH2+]Cc1nccn1C(F)F)c1cncc(F)c1 ZINC000162259604 525561928 /nfs/dbraw/zinc/56/19/28/525561928.db2.gz WDYYDZNHSKGRMR-MRVPVSSYSA-N 1 2 270.258 2.663 10 0 CFAELO CSC[C@@H](C)Cn1c2ccc(N)cc2[nH+]c1[C@H](C)O ZINC000069444402 525625975 /nfs/dbraw/zinc/62/59/75/525625975.db2.gz UEAFLSBRTCACBY-UWVGGRQHSA-N 1 2 279.409 2.671 10 0 CFAELO C[C@@H](Nc1cc[nH+]c(C(N)=S)c1)c1ccccc1 ZINC000061811863 525721324 /nfs/dbraw/zinc/72/13/24/525721324.db2.gz TXERCQILNARVKA-SNVBAGLBSA-N 1 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CFAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccccc1F ZINC000090226633 375005847 /nfs/dbraw/zinc/00/58/47/375005847.db2.gz QYPDXYHHNPIRPH-HZMBPMFUSA-N 1 2 274.343 2.911 10 0 CFAELO COC(=O)c1ccccc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000093437868 375236740 /nfs/dbraw/zinc/23/67/40/375236740.db2.gz TXTNZLUAGBXWQK-MRXNPFEDSA-N 1 2 299.374 2.924 10 0 CFAELO COC(=O)c1ccccc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000093437868 375236747 /nfs/dbraw/zinc/23/67/47/375236747.db2.gz TXTNZLUAGBXWQK-MRXNPFEDSA-N 1 2 299.374 2.924 10 0 CFAELO CN(c1cccc[nH+]1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074156 375405471 /nfs/dbraw/zinc/40/54/71/375405471.db2.gz OCJPKUBTTOXWDX-ZDUSSCGKSA-N 1 2 291.395 2.917 10 0 CFAELO CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccc[nH+]1 ZINC000095075285 375407039 /nfs/dbraw/zinc/40/70/39/375407039.db2.gz BSKGCRBWMBEMIK-CYBMUJFWSA-N 1 2 291.395 2.917 10 0 CFAELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000101564268 375642026 /nfs/dbraw/zinc/64/20/26/375642026.db2.gz IRKDTWBFGCDVLY-CYBMUJFWSA-N 1 2 296.361 2.846 10 0 CFAELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000101564268 375642033 /nfs/dbraw/zinc/64/20/33/375642033.db2.gz IRKDTWBFGCDVLY-CYBMUJFWSA-N 1 2 296.361 2.846 10 0 CFAELO CC(C)CCOCC[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000111691687 375864399 /nfs/dbraw/zinc/86/43/99/375864399.db2.gz NBSJTOGIWIAQMI-CYBMUJFWSA-N 1 2 284.425 2.579 10 0 CFAELO CC(C)CCOCC[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000111691687 375864404 /nfs/dbraw/zinc/86/44/04/375864404.db2.gz NBSJTOGIWIAQMI-CYBMUJFWSA-N 1 2 284.425 2.579 10 0 CFAELO Cc1cc(NC(=O)[C@@H](C)NC(=O)Nc2ccccc2)cc[nH+]1 ZINC000112298695 375898982 /nfs/dbraw/zinc/89/89/82/375898982.db2.gz QLIZVPWWOHRRIM-GFCCVEGCSA-N 1 2 298.346 2.539 10 0 CFAELO CCCSCC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112668056 375942663 /nfs/dbraw/zinc/94/26/63/375942663.db2.gz OSONSNDCHITFAD-UHFFFAOYSA-N 1 2 295.452 2.571 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccccc1)C2 ZINC000112667926 375942946 /nfs/dbraw/zinc/94/29/46/375942946.db2.gz RLITUKMMNRAXOK-UHFFFAOYSA-N 1 2 283.375 2.742 10 0 CFAELO CCO[C@H]1C[C@@H]([N@H+](C)Cc2noc(CC)n2)C12CCCC2 ZINC000121239158 376789167 /nfs/dbraw/zinc/78/91/67/376789167.db2.gz JHMSNLBSNPRYTB-OLZOCXBDSA-N 1 2 293.411 2.802 10 0 CFAELO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2noc(CC)n2)C12CCCC2 ZINC000121239158 376789179 /nfs/dbraw/zinc/78/91/79/376789179.db2.gz JHMSNLBSNPRYTB-OLZOCXBDSA-N 1 2 293.411 2.802 10 0 CFAELO CCO[C@@H]1C[C@H]([N@H+](C)Cc2noc(C)n2)C12CCCC2 ZINC000121149693 376770966 /nfs/dbraw/zinc/77/09/66/376770966.db2.gz FEJXBOFNDAHUCE-QWHCGFSZSA-N 1 2 279.384 2.548 10 0 CFAELO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2noc(C)n2)C12CCCC2 ZINC000121149693 376770973 /nfs/dbraw/zinc/77/09/73/376770973.db2.gz FEJXBOFNDAHUCE-QWHCGFSZSA-N 1 2 279.384 2.548 10 0 CFAELO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnnn2-c2ccccc2)o1 ZINC000123380564 376952162 /nfs/dbraw/zinc/95/21/62/376952162.db2.gz WEYSEPNECLCLBY-OLZOCXBDSA-N 1 2 297.362 2.976 10 0 CFAELO C[C@H]1COC[C@H](C)[NH+]1Cc1cnn(Cc2ccccc2)c1 ZINC000132366769 377832157 /nfs/dbraw/zinc/83/21/57/377832157.db2.gz GMCSKCTXEURSFP-GJZGRUSLSA-N 1 2 285.391 2.541 10 0 CFAELO Cc1cc(NCCNC(=O)OC(C)(C)C)nc(C(C)C)[nH+]1 ZINC000133365593 377923766 /nfs/dbraw/zinc/92/37/66/377923766.db2.gz LMHJBOQBBWMXJN-UHFFFAOYSA-N 1 2 294.399 2.845 10 0 CFAELO O=C(C[C@H]1CCC[N@@H+]1Cc1ncc[nH]1)c1ccc(F)cc1 ZINC000134832198 378053259 /nfs/dbraw/zinc/05/32/59/378053259.db2.gz HDCFNBLKLZQMMQ-CQSZACIVSA-N 1 2 287.338 2.786 10 0 CFAELO O=C(C[C@H]1CCC[N@H+]1Cc1ncc[nH]1)c1ccc(F)cc1 ZINC000134832198 378053269 /nfs/dbraw/zinc/05/32/69/378053269.db2.gz HDCFNBLKLZQMMQ-CQSZACIVSA-N 1 2 287.338 2.786 10 0 CFAELO CCn1c(C)nnc1C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000170955631 379196600 /nfs/dbraw/zinc/19/66/00/379196600.db2.gz KWKCXBKJAQQSKY-LBPRGKRZSA-N 1 2 270.380 2.726 10 0 CFAELO CCn1c(C)nnc1C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000170955631 379196604 /nfs/dbraw/zinc/19/66/04/379196604.db2.gz KWKCXBKJAQQSKY-LBPRGKRZSA-N 1 2 270.380 2.726 10 0 CFAELO COC[C@@H](C)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000171462326 379314174 /nfs/dbraw/zinc/31/41/74/379314174.db2.gz NZMAECDCCQRHEH-LLVKDONJSA-N 1 2 287.363 2.522 10 0 CFAELO COC(=O)c1cc(F)ccc1C[N@@H+]1CCS[C@@H](C)C1 ZINC000171685917 379374022 /nfs/dbraw/zinc/37/40/22/379374022.db2.gz NGHHJVCNMXUHPZ-JTQLQIEISA-N 1 2 283.368 2.550 10 0 CFAELO COC(=O)c1cc(F)ccc1C[N@H+]1CCS[C@@H](C)C1 ZINC000171685917 379374024 /nfs/dbraw/zinc/37/40/24/379374024.db2.gz NGHHJVCNMXUHPZ-JTQLQIEISA-N 1 2 283.368 2.550 10 0 CFAELO Cc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](C)C2)cc1C ZINC000171702827 379381231 /nfs/dbraw/zinc/38/12/31/379381231.db2.gz UWUBJCBDIWZIPW-ZDUSSCGKSA-N 1 2 278.421 2.679 10 0 CFAELO Cc1ccc(NC(=O)C[N@H+]2CCS[C@@H](C)C2)cc1C ZINC000171702827 379381238 /nfs/dbraw/zinc/38/12/38/379381238.db2.gz UWUBJCBDIWZIPW-ZDUSSCGKSA-N 1 2 278.421 2.679 10 0 CFAELO Cc1cnn([C@H]2CCCN(c3cc[nH+]c(C4CC4)n3)C2)c1 ZINC000171987046 379460363 /nfs/dbraw/zinc/46/03/63/379460363.db2.gz MYGLUCCYCZIZLL-AWEZNQCLSA-N 1 2 283.379 2.700 10 0 CFAELO CC(C)n1ccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)n1 ZINC000172013878 379470363 /nfs/dbraw/zinc/47/03/63/379470363.db2.gz HPAJDJNJTJXCCU-OAHLLOKOSA-N 1 2 273.384 2.535 10 0 CFAELO CC(C)n1ccc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)n1 ZINC000172013878 379470371 /nfs/dbraw/zinc/47/03/71/379470371.db2.gz HPAJDJNJTJXCCU-OAHLLOKOSA-N 1 2 273.384 2.535 10 0 CFAELO CCc1nnc(C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)n1C ZINC000174506573 379898965 /nfs/dbraw/zinc/89/89/65/379898965.db2.gz DGFCGFLVBDJGRO-CHWSQXEVSA-N 1 2 288.395 2.944 10 0 CFAELO CCc1nnc(C[N@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)n1C ZINC000174506573 379898971 /nfs/dbraw/zinc/89/89/71/379898971.db2.gz DGFCGFLVBDJGRO-CHWSQXEVSA-N 1 2 288.395 2.944 10 0 CFAELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)c1ccccc1F ZINC000176431163 380232235 /nfs/dbraw/zinc/23/22/35/380232235.db2.gz KQSKODXNBNDQNU-FZMZJTMJSA-N 1 2 297.370 2.521 10 0 CFAELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)c1ccccc1F ZINC000176431163 380232244 /nfs/dbraw/zinc/23/22/44/380232244.db2.gz KQSKODXNBNDQNU-FZMZJTMJSA-N 1 2 297.370 2.521 10 0 CFAELO Cc1cccc([C@H]2CCC[N@H+]2Cc2nnc(C3CC3)n2C)n1 ZINC000178668335 380474709 /nfs/dbraw/zinc/47/47/09/380474709.db2.gz QAYMVAOZVURZHG-OAHLLOKOSA-N 1 2 297.406 2.733 10 0 CFAELO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nnc(C3CC3)n2C)n1 ZINC000178668335 380474716 /nfs/dbraw/zinc/47/47/16/380474716.db2.gz QAYMVAOZVURZHG-OAHLLOKOSA-N 1 2 297.406 2.733 10 0 CFAELO CC(C)n1cc[nH+]c1CSc1nnc(C(F)F)n1C ZINC000181210776 380758090 /nfs/dbraw/zinc/75/80/90/380758090.db2.gz MJFGBROBEDAAIB-UHFFFAOYSA-N 1 2 287.339 2.822 10 0 CFAELO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000181627649 380845913 /nfs/dbraw/zinc/84/59/13/380845913.db2.gz SMTUHBSEQKKYIP-VIFPVBQESA-N 1 2 293.317 2.874 10 0 CFAELO Cc1cc[nH+]cc1N[C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287866515 380961202 /nfs/dbraw/zinc/96/12/02/380961202.db2.gz XRQQTHPZBFQWME-ONGXEEELSA-N 1 2 260.259 2.912 10 0 CFAELO C[C@H]1C[C@H](C(=O)NCCc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC000183750113 381315779 /nfs/dbraw/zinc/31/57/79/381315779.db2.gz ZPZLBICSCVKQOA-RYUDHWBXSA-N 1 2 263.385 2.531 10 0 CFAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000184166351 381379163 /nfs/dbraw/zinc/37/91/63/381379163.db2.gz ATIMYMDVTWSFPW-AWEZNQCLSA-N 1 2 296.798 2.779 10 0 CFAELO CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000184166351 381379171 /nfs/dbraw/zinc/37/91/71/381379171.db2.gz ATIMYMDVTWSFPW-AWEZNQCLSA-N 1 2 296.798 2.779 10 0 CFAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184385438 381408734 /nfs/dbraw/zinc/40/87/34/381408734.db2.gz XEYRPFJVWATRMM-JSGCOSHPSA-N 1 2 285.395 2.730 10 0 CFAELO CCc1nnc(C[N@H+]2Cc3ccccc3C[C@@H]2CC)n1C ZINC000185793817 381736621 /nfs/dbraw/zinc/73/66/21/381736621.db2.gz FMTSIDODDRJDHK-HNNXBMFYSA-N 1 2 284.407 2.714 10 0 CFAELO CCc1nnc(C[N@@H+]2Cc3ccccc3C[C@@H]2CC)n1C ZINC000185793817 381736629 /nfs/dbraw/zinc/73/66/29/381736629.db2.gz FMTSIDODDRJDHK-HNNXBMFYSA-N 1 2 284.407 2.714 10 0 CFAELO CCC(CC)[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000186437502 381911306 /nfs/dbraw/zinc/91/13/06/381911306.db2.gz KAZVZOFKBSMXBQ-UHFFFAOYSA-N 1 2 274.368 2.662 10 0 CFAELO CCO[C@H]1C[C@@H](Nc2ccc(C)[nH+]c2)C12CCOCC2 ZINC000186466167 381919638 /nfs/dbraw/zinc/91/96/38/381919638.db2.gz DTBIWHHGQKVRKT-CABCVRRESA-N 1 2 276.380 2.776 10 0 CFAELO CCc1ccc([C@H](C)NC(=O)CCc2c[nH+]cn2C)cc1 ZINC000188443533 382415755 /nfs/dbraw/zinc/41/57/55/382415755.db2.gz RHOJZCROZCYYOM-ZDUSSCGKSA-N 1 2 285.391 2.793 10 0 CFAELO C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000189005334 382522963 /nfs/dbraw/zinc/52/29/63/382522963.db2.gz JQRFFDPPUWBPCC-SWLSCSKDSA-N 1 2 299.374 2.841 10 0 CFAELO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000189992753 382648902 /nfs/dbraw/zinc/64/89/02/382648902.db2.gz UKSQJHMYRFDJBN-HNNXBMFYSA-N 1 2 296.436 2.968 10 0 CFAELO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000189992753 382648903 /nfs/dbraw/zinc/64/89/03/382648903.db2.gz UKSQJHMYRFDJBN-HNNXBMFYSA-N 1 2 296.436 2.968 10 0 CFAELO C[C@@H]1COCC[C@@H]1[NH2+]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000195104785 382762007 /nfs/dbraw/zinc/76/20/07/382762007.db2.gz LHRGPYFBIGETGX-KEYYUXOJSA-N 1 2 290.407 2.749 10 0 CFAELO [NH3+][C@H](c1ccns1)c1occc1Br ZINC000575458194 382772229 /nfs/dbraw/zinc/77/22/29/382772229.db2.gz DLJFRNLKXHVBCX-SSDOTTSWSA-N 1 2 259.128 2.547 10 0 CFAELO Cc1cccc(-c2cc(C(F)(F)F)nc(NN)[nH+]2)c1 ZINC000217027636 382785541 /nfs/dbraw/zinc/78/55/41/382785541.db2.gz CUHJBAMLCLDSMR-UHFFFAOYSA-N 1 2 268.242 2.756 10 0 CFAELO CC[NH+](CC)c1ccc(N)cc1C(=O)N1CCCCC1 ZINC000226323686 382826773 /nfs/dbraw/zinc/82/67/73/382826773.db2.gz UMEUWAUGSINPNN-UHFFFAOYSA-N 1 2 275.396 2.741 10 0 CFAELO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2noc(CC)n2)C12CCCC2 ZINC000246936789 383123490 /nfs/dbraw/zinc/12/34/90/383123490.db2.gz JHMSNLBSNPRYTB-CHWSQXEVSA-N 1 2 293.411 2.802 10 0 CFAELO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2noc(CC)n2)C12CCCC2 ZINC000246936789 383123496 /nfs/dbraw/zinc/12/34/96/383123496.db2.gz JHMSNLBSNPRYTB-CHWSQXEVSA-N 1 2 293.411 2.802 10 0 CFAELO CCO[C@@H]1C[C@H]([N@H+](C)Cc2noc(CC)n2)C12CCCC2 ZINC000246936820 383123624 /nfs/dbraw/zinc/12/36/24/383123624.db2.gz JHMSNLBSNPRYTB-QWHCGFSZSA-N 1 2 293.411 2.802 10 0 CFAELO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2noc(CC)n2)C12CCCC2 ZINC000246936820 383123630 /nfs/dbraw/zinc/12/36/30/383123630.db2.gz JHMSNLBSNPRYTB-QWHCGFSZSA-N 1 2 293.411 2.802 10 0 CFAELO C[C@H]1C[C@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C[C@@H](C)C1 ZINC000248547265 383257704 /nfs/dbraw/zinc/25/77/04/383257704.db2.gz JPHTUKRGBWJEMV-FXUDXRNXSA-N 1 2 289.423 2.946 10 0 CFAELO CCn1c(C)nnc1C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000252648865 383423636 /nfs/dbraw/zinc/42/36/36/383423636.db2.gz NKOYILWRTBICAF-LRDDRELGSA-N 1 2 270.380 2.799 10 0 CFAELO CCn1c(C)nnc1C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000252648865 383423640 /nfs/dbraw/zinc/42/36/40/383423640.db2.gz NKOYILWRTBICAF-LRDDRELGSA-N 1 2 270.380 2.799 10 0 CFAELO F[C@@H]1C[NH2+][C@@H](c2nc(C34CC5CC(CC(C5)C3)C4)no2)C1 ZINC000261865919 383571304 /nfs/dbraw/zinc/57/13/04/383571304.db2.gz USVVZZQOBGUNRA-UHUMYNAPSA-N 1 2 291.370 2.910 10 0 CFAELO c1csc([C@H]2CN(c3[nH]c4ccccc4[nH+]3)CCO2)n1 ZINC000270591261 385156462 /nfs/dbraw/zinc/15/64/62/385156462.db2.gz STHDKQBCSSZXCX-GFCCVEGCSA-N 1 2 286.360 2.597 10 0 CFAELO Cn1cccc1C[N@@H+]1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000275426403 385976834 /nfs/dbraw/zinc/97/68/34/385976834.db2.gz FBAUNPMLNIWUMK-QGZVFWFLSA-N 1 2 298.434 2.975 10 0 CFAELO Cn1cccc1C[N@H+]1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000275426403 385976837 /nfs/dbraw/zinc/97/68/37/385976837.db2.gz FBAUNPMLNIWUMK-QGZVFWFLSA-N 1 2 298.434 2.975 10 0 CFAELO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000237219137 131015255 /nfs/dbraw/zinc/01/52/55/131015255.db2.gz SQERQDRKYVREIB-LLVKDONJSA-N 1 2 269.352 2.630 10 0 CFAELO CCn1cc[nH+]c1C[S@@](=O)CC1CCCCC1 ZINC000081526887 393734603 /nfs/dbraw/zinc/73/46/03/393734603.db2.gz JFSKRNARHKFBED-QGZVFWFLSA-N 1 2 254.399 2.732 10 0 CFAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc(O)c1 ZINC000194912000 393723444 /nfs/dbraw/zinc/72/34/44/393723444.db2.gz UJBYWYSNMVOCAU-FZMZJTMJSA-N 1 2 286.379 2.732 10 0 CFAELO Cc1csc([C@H]2C[N@H+](Cc3ccc(C)o3)CCO2)n1 ZINC000092789887 393791307 /nfs/dbraw/zinc/79/13/07/393791307.db2.gz RVEJCBYZLSEJPP-CYBMUJFWSA-N 1 2 278.377 2.926 10 0 CFAELO Cc1csc([C@H]2C[N@@H+](Cc3ccc(C)o3)CCO2)n1 ZINC000092789887 393791313 /nfs/dbraw/zinc/79/13/13/393791313.db2.gz RVEJCBYZLSEJPP-CYBMUJFWSA-N 1 2 278.377 2.926 10 0 CFAELO CCn1c(C)nnc1C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000252648866 393937774 /nfs/dbraw/zinc/93/77/74/393937774.db2.gz NKOYILWRTBICAF-WBMJQRKESA-N 1 2 270.380 2.799 10 0 CFAELO CCn1c(C)nnc1C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000252648866 393937777 /nfs/dbraw/zinc/93/77/77/393937777.db2.gz NKOYILWRTBICAF-WBMJQRKESA-N 1 2 270.380 2.799 10 0 CFAELO CCc1nc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cs1 ZINC000152195823 394273328 /nfs/dbraw/zinc/27/33/28/394273328.db2.gz NLIWOURFCXYEAC-AWEZNQCLSA-N 1 2 289.404 2.754 10 0 CFAELO CCc1nc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)cs1 ZINC000152195823 394273332 /nfs/dbraw/zinc/27/33/32/394273332.db2.gz NLIWOURFCXYEAC-AWEZNQCLSA-N 1 2 289.404 2.754 10 0 CFAELO C[C@@H]1CCCN(c2[nH+]c(CO)cc3ccccc32)C1 ZINC000040864080 134873514 /nfs/dbraw/zinc/87/35/14/134873514.db2.gz BWWGUMQMPPZHRR-GFCCVEGCSA-N 1 2 256.349 2.963 10 0 CFAELO C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177778248 394384998 /nfs/dbraw/zinc/38/49/98/394384998.db2.gz ODSVDAIDBNHCMC-QLFBSQMISA-N 1 2 275.396 2.700 10 0 CFAELO C[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(Cl)s1 ZINC000186908282 543054786 /nfs/dbraw/zinc/05/47/86/543054786.db2.gz OSXQECZJCDPMLW-QMMMGPOBSA-N 1 2 283.784 2.555 10 0 CFAELO CCOC(=O)[C@@H](CC)[NH+]1CCC(c2nccs2)CC1 ZINC000363287106 156169538 /nfs/dbraw/zinc/16/95/38/156169538.db2.gz ZYSACUBSAOTNMK-GFCCVEGCSA-N 1 2 282.409 2.664 10 0 CFAELO Cc1ccc(-c2cc(C[N@@H+]3C[C@@H](F)C[C@H]3CO)on2)cc1 ZINC000346358703 162391885 /nfs/dbraw/zinc/39/18/85/162391885.db2.gz KQEHAFVAUKNJKM-KBPBESRZSA-N 1 2 290.338 2.555 10 0 CFAELO Cc1ccc(-c2cc(C[N@H+]3C[C@@H](F)C[C@H]3CO)on2)cc1 ZINC000346358703 162391890 /nfs/dbraw/zinc/39/18/90/162391890.db2.gz KQEHAFVAUKNJKM-KBPBESRZSA-N 1 2 290.338 2.555 10 0 CFAELO CCOc1ccccc1[C@H](C)[NH2+]Cc1nc(C)c[nH]1 ZINC000657337258 413467980 /nfs/dbraw/zinc/46/79/80/413467980.db2.gz OAEBJXJZUJPFAL-LBPRGKRZSA-N 1 2 259.353 2.968 10 0 CFAELO CCCc1nccnc1NCCc1[nH+]cccc1C ZINC000663966133 413475713 /nfs/dbraw/zinc/47/57/13/413475713.db2.gz XYPVBZSUZBPYHA-UHFFFAOYSA-N 1 2 256.353 2.787 10 0 CFAELO O=Cc1cc(Br)ccc1OCCn1cc[nH+]c1 ZINC000020482853 171222840 /nfs/dbraw/zinc/22/28/40/171222840.db2.gz WAQDYMKUHYAITJ-UHFFFAOYSA-N 1 2 295.136 2.537 10 0 CFAELO c1ccc2c(c1)C[NH2+][C@@H](c1nc(-c3cccnc3)no1)C2 ZINC000020552399 171247726 /nfs/dbraw/zinc/24/77/26/171247726.db2.gz PKYKGIHODJYTPV-CQSZACIVSA-N 1 2 278.315 2.519 10 0 CFAELO C[C@H](C(=O)Nc1c(Cl)cc(N)cc1Cl)n1cc[nH+]c1 ZINC000022210202 171372958 /nfs/dbraw/zinc/37/29/58/171372958.db2.gz OZFZGRPHJBQQNC-SSDOTTSWSA-N 1 2 299.161 2.972 10 0 CFAELO C[C@@H](C(=O)Nc1c(N)cc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000022222586 171378987 /nfs/dbraw/zinc/37/89/87/171378987.db2.gz BRRHPVULCAZYSP-ZETCQYMHSA-N 1 2 299.161 2.972 10 0 CFAELO Cc1[nH+]c2ccccc2n1CC(=O)c1cccn1C ZINC000035183481 172036662 /nfs/dbraw/zinc/03/66/62/172036662.db2.gz ZMTVYWGQSUGCLS-UHFFFAOYSA-N 1 2 253.305 2.566 10 0 CFAELO CC[C@@H]([NH2+][C@H](C(=O)OC)C(C)C)c1ccc(OC)cc1 ZINC000035185743 172039846 /nfs/dbraw/zinc/03/98/46/172039846.db2.gz OALKELOOKPEZNY-CABCVRRESA-N 1 2 279.380 2.934 10 0 CFAELO C[C@@H]1C[NH+](Cc2ccc3ccccc3n2)C[C@@H](C)C1=O ZINC000661549177 414045146 /nfs/dbraw/zinc/04/51/46/414045146.db2.gz MRGPQENVAPIIGP-CHWSQXEVSA-N 1 2 268.360 2.892 10 0 CFAELO Cc1cccn2cc(CSc3ccc(N)cn3)[nH+]c12 ZINC000037191437 173020121 /nfs/dbraw/zinc/02/01/21/173020121.db2.gz PCUGECRPRDYERW-UHFFFAOYSA-N 1 2 270.361 2.912 10 0 CFAELO COC(=O)CCC[NH2+]c1ccc(OC(C)C)cc1 ZINC000037286636 173093082 /nfs/dbraw/zinc/09/30/82/173093082.db2.gz ADRRYHKZDLASMD-UHFFFAOYSA-N 1 2 251.326 2.839 10 0 CFAELO COC(=O)C(C)(C)[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037304533 173109616 /nfs/dbraw/zinc/10/96/16/173109616.db2.gz KRHFBCHQRREGAG-ZDUSSCGKSA-N 1 2 265.328 2.818 10 0 CFAELO COc1ccc(C(=O)C[N@H+](C)C2CC2)cc1Cl ZINC000037334293 173135514 /nfs/dbraw/zinc/13/55/14/173135514.db2.gz WGDNENGRULUIRB-UHFFFAOYSA-N 1 2 253.729 2.626 10 0 CFAELO COc1ccc(C(=O)C[N@@H+](C)C2CC2)cc1Cl ZINC000037334293 173135516 /nfs/dbraw/zinc/13/55/16/173135516.db2.gz WGDNENGRULUIRB-UHFFFAOYSA-N 1 2 253.729 2.626 10 0 CFAELO O=C(Cc1[nH]cc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000037365815 173154890 /nfs/dbraw/zinc/15/48/90/173154890.db2.gz UYRMYEBEUISADC-UHFFFAOYSA-N 1 2 254.211 2.854 10 0 CFAELO C[C@@H](c1ccncc1)n1c(N)[nH+]c2c1cccc2F ZINC000037421493 173198179 /nfs/dbraw/zinc/19/81/79/173198179.db2.gz CPNGUCYTQVMYPY-VIFPVBQESA-N 1 2 256.284 2.762 10 0 CFAELO COC(=O)[C@](C)([NH2+]C(C)C)c1c(C)cc(C)cc1C ZINC000037445716 173212744 /nfs/dbraw/zinc/21/27/44/173212744.db2.gz QHVLNEUOMFOULP-MRXNPFEDSA-N 1 2 263.381 2.998 10 0 CFAELO COc1ccc([NH2+]CCc2ccncc2)c(OC)c1 ZINC000037491859 173233080 /nfs/dbraw/zinc/23/30/80/173233080.db2.gz BXRLPJWOLLSLKG-UHFFFAOYSA-N 1 2 258.321 2.753 10 0 CFAELO Cc1ccc2[nH+]c(COc3cccc(N)c3)cn2c1 ZINC000038055012 174066518 /nfs/dbraw/zinc/06/65/18/174066518.db2.gz ZIYWMCSJFWBTIN-UHFFFAOYSA-N 1 2 253.305 2.804 10 0 CFAELO CC[C@H](C)[NH2+][C@](C)(C(=O)OC)c1ccc(F)cc1 ZINC000038066595 174077558 /nfs/dbraw/zinc/07/75/58/174077558.db2.gz ZURZSNFUKOFMJV-HZMBPMFUSA-N 1 2 253.317 2.602 10 0 CFAELO CC[C@@H](C)[NH2+][C@](CC)(C(=O)OC)c1ccc(F)cc1 ZINC000038066620 174077782 /nfs/dbraw/zinc/07/77/82/174077782.db2.gz CVPKOPBZPSNRGC-ABAIWWIYSA-N 1 2 267.344 2.992 10 0 CFAELO CC[C@H](C)[NH2+][C@@](CC)(C(=O)OC)c1ccc(F)cc1 ZINC000038066623 174078504 /nfs/dbraw/zinc/07/85/04/174078504.db2.gz CVPKOPBZPSNRGC-XHDPSFHLSA-N 1 2 267.344 2.992 10 0 CFAELO CC[C@H](C)[NH2+][C@@H](C(=O)OC)c1cc(C)c(O)c(C)c1 ZINC000038067253 174079275 /nfs/dbraw/zinc/07/92/75/174079275.db2.gz LBPUFILVATWRGE-WCQYABFASA-N 1 2 265.353 2.611 10 0 CFAELO CC(C)(C)NC(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000040295891 174223480 /nfs/dbraw/zinc/22/34/80/174223480.db2.gz VLGFQQKXKCFDCC-UHFFFAOYSA-N 1 2 271.364 2.828 10 0 CFAELO CC(C)[NH2+]CC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000040419748 174257323 /nfs/dbraw/zinc/25/73/23/174257323.db2.gz YZRYSGQXSILCHK-MGPQQGTHSA-N 1 2 255.402 2.988 10 0 CFAELO CC(C)[NH2+]CC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000040419749 174257350 /nfs/dbraw/zinc/25/73/50/174257350.db2.gz YZRYSGQXSILCHK-BFHYXJOUSA-N 1 2 255.402 2.988 10 0 CFAELO Cc1ccnc(Nc2nc[nH+]c(NC(C)(C)C)c2N)c1 ZINC000040680386 174374885 /nfs/dbraw/zinc/37/48/85/174374885.db2.gz DOIMYCUSMQAQLV-UHFFFAOYSA-N 1 2 272.356 2.716 10 0 CFAELO CCNc1[nH+]cnc(N(CC)c2ccccc2)c1N ZINC000040679452 174374916 /nfs/dbraw/zinc/37/49/16/174374916.db2.gz ARBVJDZZYCTJJN-UHFFFAOYSA-N 1 2 257.341 2.649 10 0 CFAELO Cc1cc(Nc2nc[nH+]c(NCCC(C)C)c2N)no1 ZINC000040681099 174375182 /nfs/dbraw/zinc/37/51/82/174375182.db2.gz QETFFNRLWJAEEY-UHFFFAOYSA-N 1 2 276.344 2.557 10 0 CFAELO Nc1c(Nc2ccccn2)nc[nH+]c1NC1CCCCC1 ZINC000040708555 174380013 /nfs/dbraw/zinc/38/00/13/174380013.db2.gz DVJYULIAHPKXCX-UHFFFAOYSA-N 1 2 284.367 2.942 10 0 CFAELO CCN(CC)c1[nH+]cnc(Nc2cc(F)ccc2F)c1N ZINC000040723340 174386184 /nfs/dbraw/zinc/38/61/84/174386184.db2.gz DFPQQBCGXOTACI-UHFFFAOYSA-N 1 2 293.321 2.927 10 0 CFAELO COc1ccc([C@H](C)Nc2cc(C)[nH+]cn2)cc1OC ZINC000040727418 174387762 /nfs/dbraw/zinc/38/77/62/174387762.db2.gz RLFVUKIMQPDCKV-NSHDSACASA-N 1 2 273.336 2.975 10 0 CFAELO Cc1ccc(C(N)=S)c(NCc2ccccc2F)[nH+]1 ZINC000043396438 175036376 /nfs/dbraw/zinc/03/63/76/175036376.db2.gz XALVLNLRZITDPJ-UHFFFAOYSA-N 1 2 275.352 2.775 10 0 CFAELO CCCN(CCC)c1[nH+]c(C)ccc1C(N)=S ZINC000043396198 175036379 /nfs/dbraw/zinc/03/63/79/175036379.db2.gz HPEZISKINACQMS-UHFFFAOYSA-N 1 2 251.399 2.651 10 0 CFAELO Cc1cccc(CNc2[nH+]c(C)ccc2C(N)=S)c1 ZINC000043396739 175036484 /nfs/dbraw/zinc/03/64/84/175036484.db2.gz SYPWWDWHYOZTSW-UHFFFAOYSA-N 1 2 271.389 2.945 10 0 CFAELO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C(=O)[O-])C(C)C)c(C)[nH+]1 ZINC000043431148 175043016 /nfs/dbraw/zinc/04/30/16/175043016.db2.gz LXFXDXXXGJQJAH-TZMCWYRMSA-N 1 2 264.369 2.767 10 0 CFAELO COC(=O)[C@@H]([NH2+]CCSc1ccc(C)cc1)C(C)C ZINC000043442387 175046228 /nfs/dbraw/zinc/04/62/28/175046228.db2.gz DTRBAPLZHJCMIG-AWEZNQCLSA-N 1 2 281.421 2.874 10 0 CFAELO C[C@H](Cn1cc[nH+]c1)Nc1ccc(N)cc1Br ZINC000043597201 175077377 /nfs/dbraw/zinc/07/73/77/175077377.db2.gz CUXPOOYZAPRBNU-SECBINFHSA-N 1 2 295.184 2.728 10 0 CFAELO O[C@@H]1c2ccccc2OC[C@H]1[NH+]1CCCCCCC1 ZINC000044125259 175143789 /nfs/dbraw/zinc/14/37/89/175143789.db2.gz QMODATAVJAPUIG-GDBMZVCRSA-N 1 2 261.365 2.747 10 0 CFAELO CC(C)(C)n1nc(-c2ccccc2O)c2c1nc[nH+]c2N ZINC000044135989 175145964 /nfs/dbraw/zinc/14/59/64/175145964.db2.gz CPZBAYHPGAUAKO-UHFFFAOYSA-N 1 2 283.335 2.536 10 0 in-vitro CFAELO C[C@@H](C[NH+]1CCOCC1)n1c2ccccc2[nH]c1=S ZINC000044388278 175170148 /nfs/dbraw/zinc/17/01/48/175170148.db2.gz IPPTXCVLODIJAY-NSHDSACASA-N 1 2 277.393 2.592 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H](C)CC(C)C)c1N ZINC000044590479 175212144 /nfs/dbraw/zinc/21/21/44/175212144.db2.gz BUGKFQFSIVEURY-VIFPVBQESA-N 1 2 253.346 2.558 10 0 CFAELO c1cc2c(s1)CC[NH2+][C@@H]2c1nnc(C2CCCC2)[nH]1 ZINC000044593031 175214332 /nfs/dbraw/zinc/21/43/32/175214332.db2.gz XMKIKYWAMCQQHM-LBPRGKRZSA-N 1 2 274.393 2.759 10 0 CFAELO COc1ccc([C@@H](C)[NH2+]Cc2cc(C)on2)cc1OC ZINC000044692430 175234067 /nfs/dbraw/zinc/23/40/67/175234067.db2.gz QUHLBZAPMHXIRB-LLVKDONJSA-N 1 2 276.336 2.851 10 0 CFAELO Cc1nccc(CNc2ccc3cc(N)ccc3[nH+]2)n1 ZINC000044987683 175285248 /nfs/dbraw/zinc/28/52/48/175285248.db2.gz MPHWKZKTZJJCDO-UHFFFAOYSA-N 1 2 265.320 2.528 10 0 CFAELO CC(C)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045053509 175298111 /nfs/dbraw/zinc/29/81/11/175298111.db2.gz JHXBFQUUTODUBA-LBPRGKRZSA-N 1 2 257.337 2.647 10 0 CFAELO Cc1ccc(C(N)=S)c(N(C)CC(C)(C)C)[nH+]1 ZINC000045089225 175304844 /nfs/dbraw/zinc/30/48/44/175304844.db2.gz ZMRUTSCEGPVKND-UHFFFAOYSA-N 1 2 251.399 2.507 10 0 CFAELO CCN(CC[C@@](C)([NH2+]C1CC1)C(=O)OC)c1ccccc1 ZINC000045232182 175335410 /nfs/dbraw/zinc/33/54/10/175335410.db2.gz VDCXCGPCKHPAPL-QGZVFWFLSA-N 1 2 290.407 2.587 10 0 CFAELO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000391822381 270306243 /nfs/dbraw/zinc/30/62/43/270306243.db2.gz UMHYRTYEASMYBY-STQMWFEESA-N 1 2 258.369 2.844 10 0 CFAELO C[C@H](NC(=O)N(C)CC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470978 177025511 /nfs/dbraw/zinc/02/55/11/177025511.db2.gz YVXQLPYRNQWXSR-ZDUSSCGKSA-N 1 2 298.390 2.985 10 0 CFAELO Cc1cccn2cc(-c3ccc(S(C)(=O)=O)cc3)[nH+]c12 ZINC000077254557 177243695 /nfs/dbraw/zinc/24/36/95/177243695.db2.gz WUAKPLQIBGMPOI-UHFFFAOYSA-N 1 2 286.356 2.713 10 0 CFAELO CNc1nc(N2CCC[C@@H](C)C2)[nH+]cc1Br ZINC000302186423 277045873 /nfs/dbraw/zinc/04/58/73/277045873.db2.gz UJZATOGWMGNKSD-MRVPVSSYSA-N 1 2 285.189 2.517 10 0 CFAELO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2ccc(F)c(F)c2)C1 ZINC000071652498 277189055 /nfs/dbraw/zinc/18/90/55/277189055.db2.gz QBNNRKZKLMCXLQ-CYBMUJFWSA-N 1 2 298.333 2.846 10 0 CFAELO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cc(F)c(F)c(F)c1 ZINC000164710087 277633653 /nfs/dbraw/zinc/63/36/53/277633653.db2.gz UIQKLVKBPOQGOE-PELKAZGASA-N 1 2 296.296 2.881 10 0 CFAELO C[C@@H]1C[C@@H]1Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000052291973 278938842 /nfs/dbraw/zinc/93/88/42/278938842.db2.gz FADDMDUCESPHPL-MFKMUULPSA-N 1 2 265.320 2.636 10 0 CFAELO C[C@@H]1C[NH+](Cc2cccc(O)c2Cl)C[C@@H](C)O1 ZINC000294936093 288216126 /nfs/dbraw/zinc/21/61/26/288216126.db2.gz PCUGXUQOURASJW-NXEZZACHSA-N 1 2 255.745 2.655 10 0 CFAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000077657781 288379179 /nfs/dbraw/zinc/37/91/79/288379179.db2.gz DSPUWGUYEQUUOR-BETUJISGSA-N 1 2 272.348 2.951 10 0 CFAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1coc(-c2ccccc2)n1 ZINC000077657781 288379182 /nfs/dbraw/zinc/37/91/82/288379182.db2.gz DSPUWGUYEQUUOR-BETUJISGSA-N 1 2 272.348 2.951 10 0 CFAELO Cn1cc([C@@H]2CCCN2c2[nH]c3ccccc3[nH+]2)cn1 ZINC000134939615 294279780 /nfs/dbraw/zinc/27/97/80/294279780.db2.gz RZRSYUJGMZMDSL-AWEZNQCLSA-N 1 2 267.336 2.638 10 0 CFAELO C[C@@H]1CC[C@H](C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)O1 ZINC000190607863 324042139 /nfs/dbraw/zinc/04/21/39/324042139.db2.gz KQUVMFQZUJZQRC-DGCLKSJQSA-N 1 2 291.395 2.873 10 0 CFAELO Cc1occc1-c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000350332868 324212165 /nfs/dbraw/zinc/21/21/65/324212165.db2.gz ATDUWDAGORPFHD-YPMHNXCESA-N 1 2 289.335 2.564 10 0 CFAELO Cc1occc1-c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000350332868 324212170 /nfs/dbraw/zinc/21/21/70/324212170.db2.gz ATDUWDAGORPFHD-YPMHNXCESA-N 1 2 289.335 2.564 10 0 CFAELO CCCNc1ccc(C[N@@H+]2CCOCC2(C)C)cn1 ZINC000050817637 520157524 /nfs/dbraw/zinc/15/75/24/520157524.db2.gz TZCUXIAATINOLT-UHFFFAOYSA-N 1 2 263.385 2.514 10 0 CFAELO CCCNc1ccc(C[N@H+]2CCOCC2(C)C)cn1 ZINC000050817637 520157533 /nfs/dbraw/zinc/15/75/33/520157533.db2.gz TZCUXIAATINOLT-UHFFFAOYSA-N 1 2 263.385 2.514 10 0 CFAELO CCCNc1[nH+]cccc1CN1CCCCCC1=O ZINC000052732792 520196864 /nfs/dbraw/zinc/19/68/64/520196864.db2.gz DQYVGTQESQNTIQ-UHFFFAOYSA-N 1 2 261.369 2.806 10 0 CFAELO CCOC(=O)[C@H](C)[NH2+][C@@H](c1cccs1)C(C)C ZINC000049371417 521211202 /nfs/dbraw/zinc/21/12/02/521211202.db2.gz SDZPJGCJZHFUQL-CMPLNLGQSA-N 1 2 255.383 2.986 10 0 CFAELO CC(C)(C(=O)Nc1ccc(N)[nH+]c1)c1ccccc1 ZINC000061680351 518534909 /nfs/dbraw/zinc/53/49/09/518534909.db2.gz TUJBNSIEJCCTBK-UHFFFAOYSA-N 1 2 255.321 2.580 10 0 CFAELO CC(C)(C)c1[nH+]c(-c2cccc(Cl)c2)c(N)n1N ZINC000052839652 519089417 /nfs/dbraw/zinc/08/94/17/519089417.db2.gz FXQSIPYAZUSNQY-UHFFFAOYSA-N 1 2 264.760 2.797 10 0 CFAELO CC(C)CCC[C@H](C)[NH2+]c1ccc(N)c(C(N)=O)c1 ZINC000049148702 519648381 /nfs/dbraw/zinc/64/83/81/519648381.db2.gz MLVRULSIRJTUQY-NSHDSACASA-N 1 2 263.385 2.994 10 0 CFAELO CC(C)c1ccc(-c2[nH+]c(C3CC3)n(N)c2N)cc1 ZINC000052839090 519833907 /nfs/dbraw/zinc/83/39/07/519833907.db2.gz RVSDJTNSYVDDKB-UHFFFAOYSA-N 1 2 256.353 2.847 10 0 CFAELO CCOCC[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000173705752 519965864 /nfs/dbraw/zinc/96/58/64/519965864.db2.gz OUESTSJKKLLRPV-UHFFFAOYSA-N 1 2 267.373 2.588 10 0 CFAELO CCC[NH2+][C@@H](c1occc1Br)c1cnccn1 ZINC000069324921 520019729 /nfs/dbraw/zinc/01/97/29/520019729.db2.gz MBMOYJIULWKOGG-LLVKDONJSA-N 1 2 296.168 2.921 10 0 CFAELO CCC[NH2+][C@@](C)(COc1cc(C)cc(C)c1C)C(=O)OC ZINC000045520031 520039137 /nfs/dbraw/zinc/03/91/37/520039137.db2.gz QSXPEADVRGMBKT-KRWDZBQOSA-N 1 2 293.407 2.922 10 0 CFAELO CCCCCC[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172755340 520125416 /nfs/dbraw/zinc/12/54/16/520125416.db2.gz KFAXNMVLIXJFCO-JKSUJKDBSA-N 1 2 296.455 2.526 10 0 CFAELO CCCNc1cc(C[N@@H+]2CCOC[C@H]2CC)ccn1 ZINC000052721835 520136113 /nfs/dbraw/zinc/13/61/13/520136113.db2.gz DEBAXJXPBKYYEI-CQSZACIVSA-N 1 2 263.385 2.514 10 0 CFAELO CCCNc1cc(C[N@H+]2CCOC[C@H]2CC)ccn1 ZINC000052721835 520136118 /nfs/dbraw/zinc/13/61/18/520136118.db2.gz DEBAXJXPBKYYEI-CQSZACIVSA-N 1 2 263.385 2.514 10 0 CFAELO CCCNc1[nH+]c2ccccc2cc1Cn1cncn1 ZINC000050818535 520189654 /nfs/dbraw/zinc/18/96/54/520189654.db2.gz USEKGIUHXYYKKW-UHFFFAOYSA-N 1 2 267.336 2.697 10 0 CFAELO CC[NH2+][C@](C)(CCN(C)c1ccccc1C)C(=O)OCC ZINC000049990241 520228948 /nfs/dbraw/zinc/22/89/48/520228948.db2.gz HQDDLXDAXXSCHY-QGZVFWFLSA-N 1 2 292.423 2.753 10 0 CFAELO CC[NH2+][C@](C)(CS[C@H]1CCC[C@H](C)C1)C(=O)OC ZINC000054695827 520233401 /nfs/dbraw/zinc/23/34/01/520233401.db2.gz VXHXLRCWCKYWBW-SGMGOOAPSA-N 1 2 273.442 2.840 10 0 CFAELO CCCCCOCC[C@](C)([NH2+]CC)C(=O)OCC ZINC000045544105 520245450 /nfs/dbraw/zinc/24/54/50/520245450.db2.gz ROYYOEYEMYJEDZ-AWEZNQCLSA-N 1 2 259.390 2.515 10 0 CFAELO CCNc1cc(C)[nH+]c(-c2ccc3c(c2)CCN3C)n1 ZINC000050864662 520268907 /nfs/dbraw/zinc/26/89/07/520268907.db2.gz GROJPYGDTHWUSN-UHFFFAOYSA-N 1 2 268.364 2.876 10 0 CFAELO CCNc1cc(CC)[nH+]c(-c2ccc3c(c2)OCO3)n1 ZINC000050865190 520269141 /nfs/dbraw/zinc/26/91/41/520269141.db2.gz DDOBQVCNPSMIBT-UHFFFAOYSA-N 1 2 271.320 2.867 10 0 CFAELO CCNc1cc(C)[nH+]c(-c2ccc3c(c2)OCCO3)n1 ZINC000050864650 520270405 /nfs/dbraw/zinc/27/04/05/520270405.db2.gz IXUOGVJEWFARFS-UHFFFAOYSA-N 1 2 271.320 2.655 10 0 CFAELO CCCC[N@H+](Cc1nnsc1NCC)C1CC1 ZINC000050815439 520549171 /nfs/dbraw/zinc/54/91/71/520549171.db2.gz AQNNPRXGMKYEAG-UHFFFAOYSA-N 1 2 254.403 2.734 10 0 CFAELO CCCC[N@@H+](Cc1nnsc1NCC)C1CC1 ZINC000050815439 520549175 /nfs/dbraw/zinc/54/91/75/520549175.db2.gz AQNNPRXGMKYEAG-UHFFFAOYSA-N 1 2 254.403 2.734 10 0 CFAELO CCOC(=O)[C@@](C)(CSc1cccc(C)c1)[NH2+]C ZINC000045595657 521146482 /nfs/dbraw/zinc/14/64/82/521146482.db2.gz LFGZMZFPVCTQOA-CQSZACIVSA-N 1 2 267.394 2.628 10 0 CFAELO CCCC[C@H](CC)CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172748955 521165654 /nfs/dbraw/zinc/16/56/54/521165654.db2.gz JCSPBZSXUJVQDH-JKSUJKDBSA-N 1 2 296.455 2.526 10 0 CFAELO CC[N@H+](Cc1ccco1)Cc1nc2sccc2c(N)n1 ZINC000050817381 521399053 /nfs/dbraw/zinc/39/90/53/521399053.db2.gz FXQFCJCRZMMKNV-UHFFFAOYSA-N 1 2 288.376 2.889 10 0 CFAELO CC[N@@H+](Cc1ccco1)Cc1nc2sccc2c(N)n1 ZINC000050817381 521399064 /nfs/dbraw/zinc/39/90/64/521399064.db2.gz FXQFCJCRZMMKNV-UHFFFAOYSA-N 1 2 288.376 2.889 10 0 CFAELO CCCc1nc(C[NH2+][C@@H](C)c2cccs2)no1 ZINC000182551581 521515185 /nfs/dbraw/zinc/51/51/85/521515185.db2.gz YGNIWYWZVMIPDQ-VIFPVBQESA-N 1 2 251.355 2.934 10 0 CFAELO COC(=O)c1ccc(Cl)cc1NCc1c[nH+]c(C)[nH]1 ZINC000054821733 522061715 /nfs/dbraw/zinc/06/17/15/522061715.db2.gz OHGRLMQEWCXPRH-UHFFFAOYSA-N 1 2 279.727 2.770 10 0 CFAELO COC(=O)c1ccc(Cl)cc1NCc1c[nH]c(C)[nH+]1 ZINC000054821733 522061716 /nfs/dbraw/zinc/06/17/16/522061716.db2.gz OHGRLMQEWCXPRH-UHFFFAOYSA-N 1 2 279.727 2.770 10 0 CFAELO CN(C)c1ccc(-c2nc(N)c3c([nH+]2)CCCC3)cc1 ZINC000050867096 522124451 /nfs/dbraw/zinc/12/44/51/522124451.db2.gz PPSNHJBWAFFOHW-UHFFFAOYSA-N 1 2 268.364 2.671 10 0 CFAELO C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)c1ncccn1 ZINC000061703641 522372552 /nfs/dbraw/zinc/37/25/52/522372552.db2.gz PTIRYTYDTOAFNU-NSHDSACASA-N 1 2 283.253 2.684 10 0 CFAELO CN(CC1CC1)C(=O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195371333 522614208 /nfs/dbraw/zinc/61/42/08/522614208.db2.gz VLGVIPGJFYYHSA-CYBMUJFWSA-N 1 2 293.436 2.539 10 0 CFAELO CN(CC1CC1)C(=O)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195371333 522614215 /nfs/dbraw/zinc/61/42/15/522614215.db2.gz VLGVIPGJFYYHSA-CYBMUJFWSA-N 1 2 293.436 2.539 10 0 CFAELO CNc1ccc(Cn2nc(C)c(Cl)c2C)c[nH+]1 ZINC000050829699 522627970 /nfs/dbraw/zinc/62/79/70/522627970.db2.gz DUGKGOMKSDECMC-UHFFFAOYSA-N 1 2 250.733 2.638 10 0 CFAELO CNc1nc(-c2ccc(OC)c(C)c2)[nH+]c2c1CCC2 ZINC000050867626 522673984 /nfs/dbraw/zinc/67/39/84/522673984.db2.gz KSOVOSFWFYMGKA-UHFFFAOYSA-N 1 2 269.348 2.991 10 0 CFAELO CNc1[nH+]cccc1Cn1c(C)nc2ccccc21 ZINC000052732979 522711520 /nfs/dbraw/zinc/71/15/20/522711520.db2.gz PRJVCLLZZGSXSZ-UHFFFAOYSA-N 1 2 252.321 2.830 10 0 CFAELO Cn1c(C[N@@H+]2CCC[C@@H]2c2ccco2)nnc1C1CC1 ZINC000116287534 534687157 /nfs/dbraw/zinc/68/71/57/534687157.db2.gz QTVAAIIIULMXJC-GFCCVEGCSA-N 1 2 272.352 2.623 10 0 CFAELO Cn1c(C[N@H+]2CCC[C@@H]2c2ccco2)nnc1C1CC1 ZINC000116287534 534687162 /nfs/dbraw/zinc/68/71/62/534687162.db2.gz QTVAAIIIULMXJC-GFCCVEGCSA-N 1 2 272.352 2.623 10 0 CFAELO C[N@H+](Cc1ccc(N)nc1)Cc1ccccc1Cl ZINC000050818076 523262495 /nfs/dbraw/zinc/26/24/95/523262495.db2.gz VQABBMZOBMWYEO-UHFFFAOYSA-N 1 2 261.756 2.949 10 0 CFAELO C[N@@H+](Cc1ccc(N)nc1)Cc1ccccc1Cl ZINC000050818076 523262502 /nfs/dbraw/zinc/26/25/02/523262502.db2.gz VQABBMZOBMWYEO-UHFFFAOYSA-N 1 2 261.756 2.949 10 0 CFAELO COC(=O)[C@@H](CC(C)C)[NH2+]Cc1ccc(F)c(C)c1 ZINC000050545269 523567483 /nfs/dbraw/zinc/56/74/83/523567483.db2.gz UOSIPPMSGAYIHK-CQSZACIVSA-N 1 2 267.344 2.811 10 0 CFAELO CCc1c(C)[nH+]c(-c2cc3c(c(Cl)c2)OCO3)nc1N ZINC000050866530 523708333 /nfs/dbraw/zinc/70/83/33/523708333.db2.gz ZMZDCFFWRQTMKC-UHFFFAOYSA-N 1 2 291.738 2.979 10 0 CFAELO CCc1cc(NC)nc(-c2ccc3c(c2)CCO3)[nH+]1 ZINC000050865115 523819996 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ZINC000122090193 187014402 /nfs/dbraw/zinc/01/44/02/187014402.db2.gz DNJUXMXLERNZKZ-RYUDHWBXSA-N 1 2 265.328 2.508 10 0 CFAELO C[C@@H]1COC[C@@H](C)[NH+]1CCC(=O)c1ccc(F)cc1 ZINC000122090411 187014510 /nfs/dbraw/zinc/01/45/10/187014510.db2.gz DNJUXMXLERNZKZ-VXGBXAGGSA-N 1 2 265.328 2.508 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccco1)C2 ZINC000123280027 187082559 /nfs/dbraw/zinc/08/25/59/187082559.db2.gz ZLJCRHRCJUDPRB-UHFFFAOYSA-N 1 2 259.353 2.695 10 0 CFAELO CC[C@H](SC)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000130894082 187527321 /nfs/dbraw/zinc/52/73/21/187527321.db2.gz MEJVISXUYXWRCO-ZDUSSCGKSA-N 1 2 295.452 2.570 10 0 CFAELO c1nn[nH]c1[C@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC000616621984 352387730 /nfs/dbraw/zinc/38/77/30/352387730.db2.gz HJDOLMOUWHHQLX-OAHLLOKOSA-N 1 2 256.353 2.922 10 0 CFAELO c1nn[nH]c1[C@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000616621984 352387734 /nfs/dbraw/zinc/38/77/34/352387734.db2.gz HJDOLMOUWHHQLX-OAHLLOKOSA-N 1 2 256.353 2.922 10 0 CFAELO c1n[nH]nc1[C@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC000616621984 352387737 /nfs/dbraw/zinc/38/77/37/352387737.db2.gz HJDOLMOUWHHQLX-OAHLLOKOSA-N 1 2 256.353 2.922 10 0 CFAELO c1n[nH]nc1[C@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000616621984 352387740 /nfs/dbraw/zinc/38/77/40/352387740.db2.gz HJDOLMOUWHHQLX-OAHLLOKOSA-N 1 2 256.353 2.922 10 0 CFAELO CC(C)(C)OC(=O)N1CCCC[C@@H](c2ccc(N)[nH+]c2)C1 ZINC000616625716 352388903 /nfs/dbraw/zinc/38/89/03/352388903.db2.gz WELGHAWNBZAFHO-CYBMUJFWSA-N 1 2 291.395 2.999 10 0 CFAELO CC(C)(C)OC(=O)N1CCCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616625535 352389241 /nfs/dbraw/zinc/38/92/41/352389241.db2.gz QEPDQQVEIIJJTD-LLVKDONJSA-N 1 2 265.357 2.914 10 0 CFAELO CCOC(=O)c1ccccc1[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000616644838 352396545 /nfs/dbraw/zinc/39/65/45/352396545.db2.gz KAJGPKPMUGVIGO-OAHLLOKOSA-N 1 2 277.364 2.645 10 0 CFAELO CCOC(=O)c1ccccc1[C@H]1C[N@H+](C(C)C)CCO1 ZINC000616644838 352396547 /nfs/dbraw/zinc/39/65/47/352396547.db2.gz KAJGPKPMUGVIGO-OAHLLOKOSA-N 1 2 277.364 2.645 10 0 CFAELO CCOC(=O)N1CCc2ccccc2[C@H]1c1ccc(N)[nH+]c1 ZINC000616679026 352410169 /nfs/dbraw/zinc/41/01/69/352410169.db2.gz IRROERXCAQDMSG-MRXNPFEDSA-N 1 2 297.358 2.598 10 0 CFAELO CCOC(=O)N1c2ccccc2NC[C@@H]1c1c[nH+]c[nH]1 ZINC000616691762 352415399 /nfs/dbraw/zinc/41/53/99/352415399.db2.gz NBYBJQUHDJJMBK-CYBMUJFWSA-N 1 2 272.308 2.539 10 0 CFAELO CCOC(=O)N1c2ccccc2NC[C@@H]1c1c[nH]c[nH+]1 ZINC000616691762 352415403 /nfs/dbraw/zinc/41/54/03/352415403.db2.gz NBYBJQUHDJJMBK-CYBMUJFWSA-N 1 2 272.308 2.539 10 0 CFAELO Cc1cc(NC[C@H]2CCCC[C@H]2O)nc(-c2cccnc2)[nH+]1 ZINC000156862555 188285453 /nfs/dbraw/zinc/28/54/53/188285453.db2.gz WYUZIVSWLBVZFJ-UKRRQHHQSA-N 1 2 298.390 2.810 10 0 CFAELO CCOc1ccccc1[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC000271746391 191303113 /nfs/dbraw/zinc/30/31/13/191303113.db2.gz JQFWFKLRMCSYJA-JTQLQIEISA-N 1 2 261.325 2.628 10 0 CFAELO Brc1cnsc1C[NH2+]Cc1ccco1 ZINC000667413109 540066225 /nfs/dbraw/zinc/06/62/25/540066225.db2.gz GUNLOHQHUUZXGU-UHFFFAOYSA-N 1 2 273.155 2.788 10 0 CFAELO Cc1cnc([C@H](C)[NH2+]Cc2[nH]nc3ccccc32)o1 ZINC000680933859 540305519 /nfs/dbraw/zinc/30/55/19/540305519.db2.gz IDWNHRPRIKYPNN-JTQLQIEISA-N 1 2 256.309 2.710 10 0 CFAELO Cc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)o1 ZINC000192951488 540576634 /nfs/dbraw/zinc/57/66/34/540576634.db2.gz VWAXCOGFRZPLIP-IINYFYTJSA-N 1 2 276.311 2.604 10 0 CFAELO Cc1nc([C@H]2CCCN2Cc2c[nH+]c3cc(C)ccn23)no1 ZINC000329422456 202330061 /nfs/dbraw/zinc/33/00/61/202330061.db2.gz HXJSYHDRLVMIGU-CQSZACIVSA-N 1 2 297.362 2.671 10 0 CFAELO CC(C)CC[C@@H](C)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177341795 189044498 /nfs/dbraw/zinc/04/44/98/189044498.db2.gz QIWYBKFGMJGZJA-HUUCEWRRSA-N 1 2 292.427 2.882 10 0 CFAELO CC1(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CCCC1 ZINC000177507144 189054199 /nfs/dbraw/zinc/05/41/99/189054199.db2.gz VCYBCPNYDZFPGM-CQSZACIVSA-N 1 2 290.411 2.637 10 0 CFAELO O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177778709 189069276 /nfs/dbraw/zinc/06/92/76/189069276.db2.gz KBRSNBHQWSQROM-OAHLLOKOSA-N 1 2 294.358 2.669 10 0 CFAELO CC(C)C[C@H](C)CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177815652 189071699 /nfs/dbraw/zinc/07/16/99/189071699.db2.gz OOYDTHCTASBHDT-LSDHHAIUSA-N 1 2 277.412 2.946 10 0 CFAELO CCc1nnc(C[N@@H+](CC)[C@@H](C)c2cccc(O)c2)n1C ZINC000178378867 189111725 /nfs/dbraw/zinc/11/17/25/189111725.db2.gz NZOKSVWWVOLJLZ-LBPRGKRZSA-N 1 2 288.395 2.666 10 0 CFAELO CCc1nnc(C[N@H+](CC)[C@@H](C)c2cccc(O)c2)n1C ZINC000178378867 189111726 /nfs/dbraw/zinc/11/17/26/189111726.db2.gz NZOKSVWWVOLJLZ-LBPRGKRZSA-N 1 2 288.395 2.666 10 0 CFAELO COCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)n1 ZINC000183039261 189344008 /nfs/dbraw/zinc/34/40/08/189344008.db2.gz ZWPQRPKNAJGYKU-RYUDHWBXSA-N 1 2 275.352 2.936 10 0 CFAELO CC(C)c1nc(N(C)C)nc(N[C@H](C)C(C)(C)C)[nH+]1 ZINC000301974312 201282995 /nfs/dbraw/zinc/28/29/95/201282995.db2.gz VJKFQAYXHQZJTP-SNVBAGLBSA-N 1 2 265.405 2.908 10 0 CFAELO CC(C)c1nc(N[C@H](C)C(C)(C)C)nc(N(C)C)[nH+]1 ZINC000301974312 201282999 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c1ccc(C2=[NH+]Cc3n[nH]nc3-c3ccccc32)cc1 ZINC000027195745 372337901 /nfs/dbraw/zinc/33/79/01/372337901.db2.gz QNQHIWFLURTUTI-UHFFFAOYSA-N 1 2 260.300 2.823 10 0 CFAELO COc1cccc(-c2cncc(C[NH+]3CCOCC3)c2)c1 ZINC000034672820 372512727 /nfs/dbraw/zinc/51/27/27/372512727.db2.gz QMYNATFFNQRECD-UHFFFAOYSA-N 1 2 284.359 2.589 10 0 CFAELO C[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccc(F)cc1F ZINC000036104063 372560378 /nfs/dbraw/zinc/56/03/78/372560378.db2.gz BKTPRBDEZOTYTK-LLVKDONJSA-N 1 2 281.302 2.941 10 0 CFAELO C[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccc(F)cc1F ZINC000036104063 372560386 /nfs/dbraw/zinc/56/03/86/372560386.db2.gz BKTPRBDEZOTYTK-LLVKDONJSA-N 1 2 281.302 2.941 10 0 CFAELO COC[C@@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000089870459 374962994 /nfs/dbraw/zinc/96/29/94/374962994.db2.gz PLVUKMIHWYTJLV-SNVBAGLBSA-N 1 2 287.363 2.672 10 0 CFAELO Cn1nccc1C[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000092973573 375172737 /nfs/dbraw/zinc/17/27/37/375172737.db2.gz NSSGJWCWWQXQSN-INIZCTEOSA-N 1 2 285.391 2.772 10 0 CFAELO Cn1nccc1C[N@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000092973573 375172746 /nfs/dbraw/zinc/17/27/46/375172746.db2.gz NSSGJWCWWQXQSN-INIZCTEOSA-N 1 2 285.391 2.772 10 0 CFAELO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc[nH]n1 ZINC000092973628 375173439 /nfs/dbraw/zinc/17/34/39/375173439.db2.gz TUSIULOILQDCPN-HNNXBMFYSA-N 1 2 271.364 2.762 10 0 CFAELO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1Cc1cc[nH]n1 ZINC000092973628 375173445 /nfs/dbraw/zinc/17/34/45/375173445.db2.gz TUSIULOILQDCPN-HNNXBMFYSA-N 1 2 271.364 2.762 10 0 CFAELO Cc1ccc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)[nH+]c1 ZINC000095090842 375412015 /nfs/dbraw/zinc/41/20/15/375412015.db2.gz YPOBNTXZNOAETO-ZDUSSCGKSA-N 1 2 291.395 2.836 10 0 CFAELO CC(C)c1nc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cs1 ZINC000105898842 375792186 /nfs/dbraw/zinc/79/21/86/375792186.db2.gz FGDLTOGCWHNXHX-CYBMUJFWSA-N 1 2 291.424 2.695 10 0 CFAELO CC(C)c1nc(C[N@H+]2CCC[C@@H](n3cncn3)C2)cs1 ZINC000105898842 375792190 /nfs/dbraw/zinc/79/21/90/375792190.db2.gz 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2.726 10 0 CFAELO COC(=O)[C@@H]1CCCC[N@@H+]1CCOc1cc(C)ccc1C ZINC000105979498 393865483 /nfs/dbraw/zinc/86/54/83/393865483.db2.gz OJRRSRSFZBSYJA-HNNXBMFYSA-N 1 2 291.391 2.710 10 0 CFAELO COC(=O)[C@@H]1CCCC[N@H+]1CCOc1cc(C)ccc1C ZINC000105979498 393865486 /nfs/dbraw/zinc/86/54/86/393865486.db2.gz OJRRSRSFZBSYJA-HNNXBMFYSA-N 1 2 291.391 2.710 10 0 CFAELO Cc1cnn([C@H]2CCCN(c3cc[nH+]c(C(C)C)n3)C2)c1 ZINC000110586118 393881826 /nfs/dbraw/zinc/88/18/26/393881826.db2.gz ZFMQOIPLKANEKY-AWEZNQCLSA-N 1 2 285.395 2.946 10 0 CFAELO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246179003 393851993 /nfs/dbraw/zinc/85/19/93/393851993.db2.gz UKBNGLZAWGQJRC-VHSXEESVSA-N 1 2 269.414 2.865 10 0 CFAELO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCS[C@@H](C)C1 ZINC000246179003 393851998 /nfs/dbraw/zinc/85/19/98/393851998.db2.gz UKBNGLZAWGQJRC-VHSXEESVSA-N 1 2 269.414 2.865 10 0 CFAELO CCc1ccc([C@H](C)[NH2+]Cc2nc(CCOC)no2)cc1 ZINC000103465156 393856615 /nfs/dbraw/zinc/85/66/15/393856615.db2.gz GAZROUSIXPLKCN-LBPRGKRZSA-N 1 2 289.379 2.672 10 0 CFAELO COC(=O)[C@@H]1CCCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000122290757 393967285 /nfs/dbraw/zinc/96/72/85/393967285.db2.gz CRYASZBBENPTMX-RGDDUWESSA-N 1 2 277.339 2.866 10 0 CFAELO COC(=O)[C@@H]1CCCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000122290757 393967290 /nfs/dbraw/zinc/96/72/90/393967290.db2.gz CRYASZBBENPTMX-RGDDUWESSA-N 1 2 277.339 2.866 10 0 CFAELO C[C@@H]1C[NH+](Cc2cc(-c3ccccc3)n[nH]2)C[C@@H](C)O1 ZINC000127021310 394040916 /nfs/dbraw/zinc/04/09/16/394040916.db2.gz UMSNWFKNDXDIDR-CHWSQXEVSA-N 1 2 271.364 2.686 10 0 CFAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccoc1 ZINC000178417770 394388114 /nfs/dbraw/zinc/38/81/14/394388114.db2.gz FRTGPDOLKXHWQZ-ZYHUDNBSSA-N 1 2 260.341 2.619 10 0 CFAELO C[C@H]([NH2+]Cc1nccc(N)n1)c1ccc(F)cc1Cl ZINC000183791394 543040430 /nfs/dbraw/zinc/04/04/30/543040430.db2.gz XZGZFUTZQWHTNM-QMMMGPOBSA-N 1 2 280.734 2.702 10 0 CFAELO Cc1nc(C)c(C[NH2+][C@H](C)c2csc(C)n2)o1 ZINC000382340671 543095750 /nfs/dbraw/zinc/09/57/50/543095750.db2.gz BJWWSVNWKBXJLL-SSDOTTSWSA-N 1 2 251.355 2.907 10 0 CFAELO C[C@@H]1CCCC[C@@H]1[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000021512915 171310860 /nfs/dbraw/zinc/31/08/60/171310860.db2.gz AWSGQNGRVJOHHQ-RISCZKNCSA-N 1 2 257.341 2.653 10 0 CFAELO CC(C)(C)c1noc([C@@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000021520526 171315709 /nfs/dbraw/zinc/31/57/09/171315709.db2.gz XZVJQZSBGRJRFZ-LBPRGKRZSA-N 1 2 257.337 2.754 10 0 CFAELO CC[C@@H]([NH2+][C@H](C(=O)OC)C(C)C)c1ccc(O)cc1 ZINC000035346479 172138904 /nfs/dbraw/zinc/13/89/04/172138904.db2.gz XOBBMYHFMXBBOU-KGLIPLIRSA-N 1 2 265.353 2.631 10 0 CFAELO [NH3+][C@H](c1noc(C2CC2)n1)c1ccccc1Br ZINC000036764412 172683422 /nfs/dbraw/zinc/68/34/22/172683422.db2.gz JIQJQSRUQYKVRB-JTQLQIEISA-N 1 2 294.152 2.758 10 0 CFAELO Nc1ccc2[nH]c(CSc3ccccn3)[nH+]c2c1 ZINC000037285662 173091958 /nfs/dbraw/zinc/09/19/58/173091958.db2.gz QEWVGCJRAAWMGX-UHFFFAOYSA-N 1 2 256.334 2.832 10 0 CFAELO COC(=O)C(C)(C)[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000037304424 173109818 /nfs/dbraw/zinc/10/98/18/173109818.db2.gz BJUWBIVQBBZHSG-AWEZNQCLSA-N 1 2 261.365 2.987 10 0 CFAELO O=C(C[NH+]1CCCCCCC1)c1cc(F)ccc1O ZINC000037331692 173132768 /nfs/dbraw/zinc/13/27/68/173132768.db2.gz TZKNPNDARGAWSL-UHFFFAOYSA-N 1 2 265.328 2.980 10 0 CFAELO CC[C@@H](C(=O)c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000037332451 173133831 /nfs/dbraw/zinc/13/38/31/173133831.db2.gz RPLWXJNUQUVCEK-GUTXKFCHSA-N 1 2 261.365 2.757 10 0 CFAELO CC[C@@H](C(=O)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000037332451 173133834 /nfs/dbraw/zinc/13/38/34/173133834.db2.gz RPLWXJNUQUVCEK-GUTXKFCHSA-N 1 2 261.365 2.757 10 0 CFAELO CC[C@H]1CCC[N@H+](CC(=O)c2cc(F)ccc2O)C1 ZINC000037339546 173140776 /nfs/dbraw/zinc/14/07/76/173140776.db2.gz XUFSINMTWSRMLO-NSHDSACASA-N 1 2 265.328 2.836 10 0 CFAELO CC[C@H]1CCC[N@@H+](CC(=O)c2cc(F)ccc2O)C1 ZINC000037339546 173140779 /nfs/dbraw/zinc/14/07/79/173140779.db2.gz XUFSINMTWSRMLO-NSHDSACASA-N 1 2 265.328 2.836 10 0 CFAELO CC[NH2+][C@@](C)(C(=O)OC)c1ccc2ccccc2c1 ZINC000037446785 173214148 /nfs/dbraw/zinc/21/41/48/173214148.db2.gz QACPJTLGLYOEDJ-MRXNPFEDSA-N 1 2 257.333 2.838 10 0 CFAELO CCC[NH2+][C@@H](C(=O)OCC)c1cc(C)c(O)c(C)c1 ZINC000037513774 173244810 /nfs/dbraw/zinc/24/48/10/173244810.db2.gz CUADZRSMIXGJLU-CYBMUJFWSA-N 1 2 265.353 2.613 10 0 CFAELO CCC[NH2+][C@@](CC)(C(=O)OCC)c1ccc(F)cc1 ZINC000037513472 173244960 /nfs/dbraw/zinc/24/49/60/173244960.db2.gz WETIDUOKZVTQBF-OAHLLOKOSA-N 1 2 267.344 2.994 10 0 CFAELO COC(=O)[C@H]([NH2+]Cc1cccs1)[C@@H]1CC=CCC1 ZINC000037966948 173912925 /nfs/dbraw/zinc/91/29/25/173912925.db2.gz IKVQCVWOYSSQJO-DGCLKSJQSA-N 1 2 265.378 2.736 10 0 CFAELO Nc1ccc(-c2[nH+]ccn2CCc2ccccn2)cc1 ZINC000037974276 173928459 /nfs/dbraw/zinc/92/84/59/173928459.db2.gz WDXOWKFJNMCFHF-UHFFFAOYSA-N 1 2 264.332 2.770 10 0 CFAELO CCOc1ccc([C@H]([NH2+][C@@H](C)CC)C(=O)OC)cc1 ZINC000038067219 174079021 /nfs/dbraw/zinc/07/90/21/174079021.db2.gz NOPHZKBQDOWPKC-FZMZJTMJSA-N 1 2 265.353 2.688 10 0 CFAELO CCc1ccc(NC(=O)[C@H](C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000038430422 174141460 /nfs/dbraw/zinc/14/14/60/174141460.db2.gz LFBMPBHBICIJBX-MCIONIFRSA-N 1 2 290.407 2.685 10 0 CFAELO [NH3+][C@@H](c1nc(Cc2cccc(F)c2)no1)c1ccccc1 ZINC000040677330 174374424 /nfs/dbraw/zinc/37/44/24/174374424.db2.gz OBJMNBHXMJUGSQ-OAHLLOKOSA-N 1 2 283.306 2.848 10 0 CFAELO CCOC1CC[NH+](CC(=O)c2ccc(C)c(C)c2)CC1 ZINC000040689791 174376707 /nfs/dbraw/zinc/37/67/07/174376707.db2.gz PHQZPNBATUACEV-UHFFFAOYSA-N 1 2 275.392 2.987 10 0 CFAELO CCNc1[nH+]cnc(Nc2cccc3cccnc32)c1N ZINC000040707314 174379458 /nfs/dbraw/zinc/37/94/58/174379458.db2.gz RCCCTXUXSORJLJ-UHFFFAOYSA-N 1 2 280.335 2.782 10 0 CFAELO CNc1nc[nH+]c(Nc2cccc(Br)c2)c1N ZINC000040707082 174379574 /nfs/dbraw/zinc/37/95/74/174379574.db2.gz HECJVQCBVQSRAT-UHFFFAOYSA-N 1 2 294.156 2.607 10 0 CFAELO CNc1[nH+]cnc(Nc2cccc(Br)c2)c1N ZINC000040707082 174379575 /nfs/dbraw/zinc/37/95/75/174379575.db2.gz HECJVQCBVQSRAT-UHFFFAOYSA-N 1 2 294.156 2.607 10 0 CFAELO CC(C)Nc1[nH+]cnc(Nc2ccc(F)c(F)c2)c1N ZINC000040708328 174379976 /nfs/dbraw/zinc/37/99/76/174379976.db2.gz JAUWMFDTPXHKRD-UHFFFAOYSA-N 1 2 279.294 2.901 10 0 CFAELO CC(C)Nc1nc[nH+]c(Nc2ccc(F)c(F)c2)c1N ZINC000040708328 174379977 /nfs/dbraw/zinc/37/99/77/174379977.db2.gz JAUWMFDTPXHKRD-UHFFFAOYSA-N 1 2 279.294 2.901 10 0 CFAELO Nc1c(Nc2cccnc2)nc[nH+]c1NC1CCCCC1 ZINC000040708527 174380166 /nfs/dbraw/zinc/38/01/66/174380166.db2.gz DXOWBAVPEUZVTA-UHFFFAOYSA-N 1 2 284.367 2.942 10 0 CFAELO Fc1ccc(NCC[NH+]2CCOCC2)cc1C(F)(F)F ZINC000040713009 174381738 /nfs/dbraw/zinc/38/17/38/174381738.db2.gz QVELUCOIISJAAV-UHFFFAOYSA-N 1 2 292.276 2.589 10 0 CFAELO CCOC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1C ZINC000041569557 174568249 /nfs/dbraw/zinc/56/82/49/174568249.db2.gz FMGKCIORKXZSBP-CYBMUJFWSA-N 1 2 273.336 2.564 10 0 CFAELO CC[C@H](C)[C@H](C)Nc1[nH+]c(C)ccc1C(N)=S ZINC000043396845 175035971 /nfs/dbraw/zinc/03/59/71/175035971.db2.gz DLGNVZBOOMBRBE-WPRPVWTQSA-N 1 2 251.399 2.871 10 0 CFAELO Cc1ccc(C(N)=S)c(NCc2ccccc2)[nH+]1 ZINC000043396237 175036024 /nfs/dbraw/zinc/03/60/24/175036024.db2.gz BBEKNAOJSFEMFB-UHFFFAOYSA-N 1 2 257.362 2.636 10 0 CFAELO CC[C@@H](C)[C@H](C)Nc1[nH+]c(C)ccc1C(N)=S ZINC000043396844 175036240 /nfs/dbraw/zinc/03/62/40/175036240.db2.gz DLGNVZBOOMBRBE-SCZZXKLOSA-N 1 2 251.399 2.871 10 0 CFAELO Cc1ccc(C(N)=S)c(N(C)Cc2ccccc2)[nH+]1 ZINC000043396372 175036302 /nfs/dbraw/zinc/03/63/02/175036302.db2.gz GQPNDDYMPSPUMK-UHFFFAOYSA-N 1 2 271.389 2.661 10 0 CFAELO COc1ccc(CNc2[nH+]c(C)ccc2C(N)=S)cc1 ZINC000043396326 175036361 /nfs/dbraw/zinc/03/63/61/175036361.db2.gz VNFONVGIBXROCA-UHFFFAOYSA-N 1 2 287.388 2.645 10 0 CFAELO COc1ccccc1CN1CCc2cc([NH3+])ccc21 ZINC000043457336 175049935 /nfs/dbraw/zinc/04/99/35/175049935.db2.gz SIXNBLUXSDWTNP-UHFFFAOYSA-N 1 2 254.333 2.840 10 0 CFAELO CCn1ccnc1[C@H]([NH2+]C)c1ccc(Cl)cc1OC ZINC000043566196 175067064 /nfs/dbraw/zinc/06/70/64/175067064.db2.gz LQJGBKISMPLJSG-CYBMUJFWSA-N 1 2 279.771 2.874 10 0 CFAELO CN(C)c1nc(N)cc(-c2cccc(Br)c2)[nH+]1 ZINC000044263217 175157412 /nfs/dbraw/zinc/15/74/12/175157412.db2.gz VHDAWNOVUFCBBF-UHFFFAOYSA-N 1 2 293.168 2.554 10 0 CFAELO CCCC[N@@H+](c1ccc(N)c(C(N)=O)c1)[C@H](C)CC ZINC000044415356 175172894 /nfs/dbraw/zinc/17/28/94/175172894.db2.gz VSQVJMIOBITAEV-LLVKDONJSA-N 1 2 263.385 2.773 10 0 CFAELO CCCC[N@H+](c1ccc(N)c(C(N)=O)c1)[C@H](C)CC ZINC000044415356 175172896 /nfs/dbraw/zinc/17/28/96/175172896.db2.gz VSQVJMIOBITAEV-LLVKDONJSA-N 1 2 263.385 2.773 10 0 CFAELO CC(C)(C)c1noc([C@H]2[NH2+]CCc3sccc32)n1 ZINC000044592972 175214253 /nfs/dbraw/zinc/21/42/53/175214253.db2.gz QXORLUNOBDCAOW-JTQLQIEISA-N 1 2 263.366 2.664 10 0 CFAELO Cc1nc(C[N@@H+](C)Cc2ccc(C)c(N)c2)cs1 ZINC000044609936 175216321 /nfs/dbraw/zinc/21/63/21/175216321.db2.gz JCFGRPGEAPRMLJ-UHFFFAOYSA-N 1 2 261.394 2.974 10 0 CFAELO Cc1nc(C[N@H+](C)Cc2ccc(C)c(N)c2)cs1 ZINC000044609936 175216322 /nfs/dbraw/zinc/21/63/22/175216322.db2.gz JCFGRPGEAPRMLJ-UHFFFAOYSA-N 1 2 261.394 2.974 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H]2C[C@@H]2c2ccccc2)c1N ZINC000044660259 175226187 /nfs/dbraw/zinc/22/61/87/175226187.db2.gz BAZTVYFNTPLMEZ-CHWSQXEVSA-N 1 2 285.347 2.679 10 0 CFAELO CCOC[C@@H](C)n1c(C)c(C)c2c1nc(C)[nH+]c2N ZINC000044727543 175238334 /nfs/dbraw/zinc/23/83/34/175238334.db2.gz NMNCLNGCXSDAHU-MRVPVSSYSA-N 1 2 262.357 2.536 10 0 CFAELO Cc1ccc2c(c1)[nH]c(=S)n2CCc1[nH+]ccn1C ZINC000045135945 175313667 /nfs/dbraw/zinc/31/36/67/175313667.db2.gz CMABQUNIEKJSDV-UHFFFAOYSA-N 1 2 272.377 2.984 10 0 CFAELO CC[NH2+][C@](C)(CCN(CC)c1ccccc1)C(=O)OCC ZINC000045232158 175335830 /nfs/dbraw/zinc/33/58/30/175335830.db2.gz KWOOOTYELQGMTL-QGZVFWFLSA-N 1 2 292.423 2.834 10 0 CFAELO Cc1nc(Nc2ccc(Cl)c(Cl)c2)nc(N)[nH+]1 ZINC000045314968 175357420 /nfs/dbraw/zinc/35/74/20/175357420.db2.gz SWRAGFJRKDLXPG-UHFFFAOYSA-N 1 2 270.123 2.813 10 0 CFAELO CCc1c[nH+]c(C)nc1N[C@H](C)Cc1cccnc1 ZINC000065509153 175745392 /nfs/dbraw/zinc/74/53/92/175745392.db2.gz JRCJWLWNECSMBG-LLVKDONJSA-N 1 2 256.353 2.786 10 0 CFAELO COC(=O)[C@@H]1CC[C@@H](c2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC000079026506 177417762 /nfs/dbraw/zinc/41/77/62/177417762.db2.gz ZBHGKRXYVLPJEF-PWSUYJOCSA-N 1 2 287.281 2.714 10 0 CFAELO CCOc1cccc(C[NH2+][C@@H](CC(C)C)C(=O)OC)c1 ZINC000037678700 260649208 /nfs/dbraw/zinc/64/92/08/260649208.db2.gz ALNRMHGSWDOZFY-HNNXBMFYSA-N 1 2 279.380 2.763 10 0 CFAELO Brc1c[nH]c2nc[nH+]c(N3CCCCC3)c12 ZINC000084680897 276766730 /nfs/dbraw/zinc/76/67/30/276766730.db2.gz VGPNLCQNUOJMHY-UHFFFAOYSA-N 1 2 281.157 2.711 10 0 CFAELO CNc1nc(N2CC[C@H](C)[C@H]2C)[nH+]cc1Br ZINC000133115294 277046330 /nfs/dbraw/zinc/04/63/30/277046330.db2.gz SRWXBMZMGJYUPP-JGVFFNPUSA-N 1 2 285.189 2.516 10 0 CFAELO CNc1nc(N[C@@H]2CCC[C@H]2C)[nH+]cc1Br ZINC000302503915 277046379 /nfs/dbraw/zinc/04/63/79/277046379.db2.gz DICWWGJRXWCOSQ-VXNVDRBHSA-N 1 2 285.189 2.881 10 0 CFAELO COCCc1noc(C[NH2+][C@H](C)c2ccc(Cl)cc2)n1 ZINC000103465144 280582331 /nfs/dbraw/zinc/58/23/31/280582331.db2.gz FQXLLNKDOJJZOB-SNVBAGLBSA-N 1 2 295.770 2.763 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CC[N@H+](C)[C@H](C(=O)O[C@H](C)[C@H]1CCOC1)c1ccccc1 ZINC000248627143 650940764 /nfs/dbraw/zinc/94/07/64/650940764.db2.gz ZBPYCJZRQNBMCD-KBMXLJTQSA-N 1 2 291.391 2.648 10 0 CFAELO CC[N@@H+](C)[C@H](C(=O)O[C@H](C)[C@H]1CCOC1)c1ccccc1 ZINC000248627143 650940765 /nfs/dbraw/zinc/94/07/65/650940765.db2.gz ZBPYCJZRQNBMCD-KBMXLJTQSA-N 1 2 291.391 2.648 10 0 CFAELO Fc1c[nH+]ccc1N1CCC[C@@H](OCc2ccccn2)C1 ZINC000096163914 650985425 /nfs/dbraw/zinc/98/54/25/650985425.db2.gz QATFUBWPWKGGNY-CQSZACIVSA-N 1 2 287.338 2.801 10 0 CFAELO Clc1nnc(NCCc2c[nH]c[nH+]2)c2ccccc12 ZINC000095577013 185010944 /nfs/dbraw/zinc/01/09/44/185010944.db2.gz WPXNANUCGLDPBY-UHFFFAOYSA-N 1 2 273.727 2.661 10 0 CFAELO Clc1nnc(NCCc2c[nH+]c[nH]2)c2ccccc12 ZINC000095577013 185010945 /nfs/dbraw/zinc/01/09/45/185010945.db2.gz WPXNANUCGLDPBY-UHFFFAOYSA-N 1 2 273.727 2.661 10 0 CFAELO CNc1[nH+]ccc2c(N)cc(Br)cc21 ZINC000082765423 178279229 /nfs/dbraw/zinc/27/92/29/178279229.db2.gz RXNFQUBZZLPZCX-UHFFFAOYSA-N 1 2 252.115 2.621 10 0 CFAELO Cc1[nH+]cn(-c2cccc(Br)n2)c1C ZINC000069018734 346880550 /nfs/dbraw/zinc/88/05/50/346880550.db2.gz VBSOZCLFOHFXSZ-UHFFFAOYSA-N 1 2 252.115 2.647 10 0 CFAELO CCn1cc[nH+]c1C[S@](=O)C/C=C/c1ccccc1 ZINC000176820267 529582261 /nfs/dbraw/zinc/58/22/61/529582261.db2.gz MHOWHHLDVRBPPY-MBNRZODZSA-N 1 2 274.389 2.865 10 0 CFAELO COc1ccc2oc(C[NH2+][C@H]3CCCn4ncnc43)cc2c1 ZINC000126443074 187240269 /nfs/dbraw/zinc/24/02/69/187240269.db2.gz UZULZAGREKCHSS-AWEZNQCLSA-N 1 2 298.346 2.658 10 0 CFAELO c1[nH]cc([C@H]2CC[C@@H](COCc3ccccc3)O2)[nH+]1 ZINC000013524102 346231954 /nfs/dbraw/zinc/23/19/54/346231954.db2.gz RETVAMKTDRMQFH-DZGCQCFKSA-N 1 2 258.321 2.847 10 0 CFAELO c1[nH]c([C@H]2CC[C@@H](COCc3ccccc3)O2)c[nH+]1 ZINC000013524102 346231958 /nfs/dbraw/zinc/23/19/58/346231958.db2.gz RETVAMKTDRMQFH-DZGCQCFKSA-N 1 2 258.321 2.847 10 0 CFAELO CCn1cc[nH+]c1CN1CCCc2c(C(=O)OC)cccc21 ZINC000076292544 347132889 /nfs/dbraw/zinc/13/28/89/347132889.db2.gz SFEFBJNBUAGGPC-UHFFFAOYSA-N 1 2 299.374 2.642 10 0 CFAELO Cc1noc(-c2ccnc(NCCc3ccc(C)[nH+]c3)c2)n1 ZINC000080981897 347393497 /nfs/dbraw/zinc/39/34/97/347393497.db2.gz JTNXAUHGDAEYHK-UHFFFAOYSA-N 1 2 295.346 2.798 10 0 CFAELO COC(=O)c1nc(C[NH+](C)C)sc1-c1cccc(C)c1 ZINC000117669082 347793107 /nfs/dbraw/zinc/79/31/07/347793107.db2.gz WMBQRKFNBGCCMU-UHFFFAOYSA-N 1 2 290.388 2.967 10 0 CFAELO CC(=O)c1cc(Br)ccc1-n1cc[nH+]c1 ZINC000131971688 347882274 /nfs/dbraw/zinc/88/22/74/347882274.db2.gz PPPQQTVXPCWROJ-UHFFFAOYSA-N 1 2 265.110 2.837 10 0 CFAELO COc1ccc(F)cc1[C@@H](C)Oc1ccc[nH+]c1N ZINC000139579894 347921796 /nfs/dbraw/zinc/92/17/96/347921796.db2.gz AZXJYYUJABEJPV-SECBINFHSA-N 1 2 262.284 2.952 10 0 CFAELO CCNc1cc(-c2ccnn2C)[nH+]c2ccsc21 ZINC000725257118 539593322 /nfs/dbraw/zinc/59/33/22/539593322.db2.gz IORGKXCSZNRVFZ-UHFFFAOYSA-N 1 2 258.350 2.551 10 0 CFAELO CCCC[C@@H]([NH2+][C@H]1CCCOC1)C(=O)OC(C)(C)C ZINC000154835578 347983576 /nfs/dbraw/zinc/98/35/76/347983576.db2.gz TZAPKRXPKKZWKS-QWHCGFSZSA-N 1 2 271.401 2.656 10 0 CFAELO CC(C)c1nc(Br)cc(-n2cc[nH+]c2)n1 ZINC000162620817 348031242 /nfs/dbraw/zinc/03/12/42/348031242.db2.gz MTOQHTJWFVRGMA-UHFFFAOYSA-N 1 2 267.130 2.548 10 0 CFAELO Clc1cnc(-n2cc[nH+]c2)c(Br)c1 ZINC000162846454 348032101 /nfs/dbraw/zinc/03/21/01/348032101.db2.gz NOUJYXDGJYIKAW-UHFFFAOYSA-N 1 2 258.506 2.683 10 0 CFAELO C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173938528 348111645 /nfs/dbraw/zinc/11/16/45/348111645.db2.gz HZRIFOQWLNPVEZ-HUBLWGQQSA-N 1 2 269.348 2.706 10 0 CFAELO c1cn(Cc2cccc(N[C@@H]3CCCOCC3)c2)c[nH+]1 ZINC000086872692 179364736 /nfs/dbraw/zinc/36/47/36/179364736.db2.gz VNNLLTAIKPVZMT-OAHLLOKOSA-N 1 2 271.364 2.912 10 0 CFAELO CC[C@](C)(CO)Nc1[nH+]ccc(C)c1Br ZINC000234088616 348219470 /nfs/dbraw/zinc/21/94/70/348219470.db2.gz GYKINLXCZSQLNE-LLVKDONJSA-N 1 2 273.174 2.725 10 0 CFAELO Fc1ccc([C@H]2[NH2+]CCS2)c(Br)c1 ZINC000236273160 348232703 /nfs/dbraw/zinc/23/27/03/348232703.db2.gz YEKIBBZNKYKRAP-VIFPVBQESA-N 1 2 262.147 2.923 10 0 CFAELO Nc1nc(NCc2ccccc2)c2ccsc2[nH+]1 ZINC000236385388 348233043 /nfs/dbraw/zinc/23/30/43/348233043.db2.gz NSDKOISXZDPKNC-UHFFFAOYSA-N 1 2 256.334 2.886 10 0 CFAELO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cncnc1 ZINC000130587588 539617378 /nfs/dbraw/zinc/61/73/78/539617378.db2.gz NJRDRQDZQKAJRX-MRXNPFEDSA-N 1 2 283.375 2.829 10 0 CFAELO CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1Cc1cncnc1 ZINC000130587588 539617382 /nfs/dbraw/zinc/61/73/82/539617382.db2.gz NJRDRQDZQKAJRX-MRXNPFEDSA-N 1 2 283.375 2.829 10 0 CFAELO [NH3+][C@H](c1ccco1)c1nscc1Br ZINC000404778303 348595143 /nfs/dbraw/zinc/59/51/43/348595143.db2.gz MDULLTKYXBGELO-SSDOTTSWSA-N 1 2 259.128 2.547 10 0 CFAELO Cc1cc(Br)c2[nH+]cc(N)c(N)c2c1Cl ZINC000584881889 348725767 /nfs/dbraw/zinc/72/57/67/348725767.db2.gz GWDHCPMXXWKHRT-UHFFFAOYSA-N 1 2 286.560 2.954 10 0 CFAELO CC1(C)c2ccc(-c3c[nH]c[nH+]3)cc2N(C2CC2)C1=O ZINC000584625326 348694247 /nfs/dbraw/zinc/69/42/47/348694247.db2.gz BBTSVEQQSOQALV-UHFFFAOYSA-N 1 2 267.332 2.863 10 0 CFAELO Cc1nnc([C@@H](C)Nc2[nH+]c3ccccc3n2C)s1 ZINC000273480485 192168792 /nfs/dbraw/zinc/16/87/92/192168792.db2.gz KCZAEHIGUGIYDD-MRVPVSSYSA-N 1 2 273.365 2.906 10 0 CFAELO Nc1ccc([NH2+]C[C@H]2CCC[C@@H]2O)cc1C(F)(F)F ZINC000089163541 179732141 /nfs/dbraw/zinc/73/21/41/179732141.db2.gz PWHNEVOYOBEIEU-PELKAZGASA-N 1 2 274.286 2.861 10 0 CFAELO CCOc1cc(NCCOCC(F)(F)F)ccc1[NH3+] ZINC000104440212 186003361 /nfs/dbraw/zinc/00/33/61/186003361.db2.gz WBFGHXMNNMXGEJ-UHFFFAOYSA-N 1 2 278.274 2.658 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc(C)c1)C2 ZINC000220589863 539753150 /nfs/dbraw/zinc/75/31/50/539753150.db2.gz VAOWDMZCIMRWPW-LBPRGKRZSA-N 1 2 269.348 2.770 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc(C)c1)CC2 ZINC000220589863 539753154 /nfs/dbraw/zinc/75/31/54/539753154.db2.gz VAOWDMZCIMRWPW-LBPRGKRZSA-N 1 2 269.348 2.770 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc(F)c1)C2 ZINC000220590773 539753197 /nfs/dbraw/zinc/75/31/97/539753197.db2.gz MSGYYRZFCSWZCZ-JTQLQIEISA-N 1 2 273.311 2.601 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc(F)c1)CC2 ZINC000220590773 539753200 /nfs/dbraw/zinc/75/32/00/539753200.db2.gz MSGYYRZFCSWZCZ-JTQLQIEISA-N 1 2 273.311 2.601 10 0 CFAELO CCn1c(C)nnc1C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000111239578 186374543 /nfs/dbraw/zinc/37/45/43/186374543.db2.gz WYHFSMVVSNLBMF-LLVKDONJSA-N 1 2 274.368 2.505 10 0 CFAELO CCn1c(C)nnc1C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000111239578 186374545 /nfs/dbraw/zinc/37/45/45/186374545.db2.gz WYHFSMVVSNLBMF-LLVKDONJSA-N 1 2 274.368 2.505 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cccs1)C2 ZINC000112666302 186514297 /nfs/dbraw/zinc/51/42/97/186514297.db2.gz FGIQYHPQYRYTQQ-UHFFFAOYSA-N 1 2 289.404 2.804 10 0 CFAELO Cc1nc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)cs1 ZINC000120743787 186921783 /nfs/dbraw/zinc/92/17/83/186921783.db2.gz ZJUZKVUIMNEVNP-UHFFFAOYSA-N 1 2 290.436 2.867 10 0 CFAELO c1ccc2nc(C[NH+]3CCN(C4CC4)CC3)ccc2c1 ZINC000124111957 187122637 /nfs/dbraw/zinc/12/26/37/187122637.db2.gz YHFOQWWNFSTKII-UHFFFAOYSA-N 1 2 267.376 2.515 10 0 CFAELO c1cc([C@@H]2CCOCC[N@H+]2Cc2ccccc2)no1 ZINC000616598945 352379179 /nfs/dbraw/zinc/37/91/79/352379179.db2.gz VPFWWNVJZSWISE-HNNXBMFYSA-N 1 2 258.321 2.638 10 0 CFAELO c1cc([C@@H]2CCOCC[N@@H+]2Cc2ccccc2)no1 ZINC000616598945 352379181 /nfs/dbraw/zinc/37/91/81/352379181.db2.gz VPFWWNVJZSWISE-HNNXBMFYSA-N 1 2 258.321 2.638 10 0 CFAELO CCOC(=O)c1cccc([C@H]2COCC[N@@H+]2C(C)C)c1 ZINC000616636336 352394129 /nfs/dbraw/zinc/39/41/29/352394129.db2.gz DVFOKBXBSIFZHC-OAHLLOKOSA-N 1 2 277.364 2.645 10 0 CFAELO CCOC(=O)c1cccc([C@H]2COCC[N@H+]2C(C)C)c1 ZINC000616636336 352394132 /nfs/dbraw/zinc/39/41/32/352394132.db2.gz DVFOKBXBSIFZHC-OAHLLOKOSA-N 1 2 277.364 2.645 10 0 CFAELO CCN1C[C@H](c2ccc[nH+]c2N)Nc2ccccc21 ZINC000616682991 352411867 /nfs/dbraw/zinc/41/18/67/352411867.db2.gz MVMPTRRQOXYQJL-CYBMUJFWSA-N 1 2 254.337 2.657 10 0 CFAELO CCOC(=O)N1C[C@H](c2cc[nH+]c(N)c2)Cc2ccccc21 ZINC000616670667 352406353 /nfs/dbraw/zinc/40/63/53/352406353.db2.gz MRXCTLKIZVQOIP-CQSZACIVSA-N 1 2 297.358 2.797 10 0 CFAELO CCOC(=O)N1CC[C@@H](c2cc[nH+]c(N)c2)c2ccccc21 ZINC000616673290 352407732 /nfs/dbraw/zinc/40/77/32/352407732.db2.gz WOKXMGNWWRIULW-ZDUSSCGKSA-N 1 2 297.358 2.993 10 0 CFAELO COC(=O)N1CC[C@H](c2[nH]cc[nH+]2)c2ccccc21 ZINC000616673813 352407768 /nfs/dbraw/zinc/40/77/68/352407768.db2.gz FWQJBCUOIHHLID-NSHDSACASA-N 1 2 257.293 2.518 10 0 CFAELO Cc1cnc([C@@H](C)[NH2+]Cc2cncc(Cl)c2)o1 ZINC000621278796 353315115 /nfs/dbraw/zinc/31/51/15/353315115.db2.gz YPTZYIMTXSVMSP-SECBINFHSA-N 1 2 251.717 2.882 10 0 CFAELO C[C@@H](NC(=O)C(C)(C)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000158047513 188354805 /nfs/dbraw/zinc/35/48/05/188354805.db2.gz DEKPDKJVBOOMCM-LLVKDONJSA-N 1 2 275.327 2.798 10 0 CFAELO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(Cl)nc1Cl ZINC000296250786 199831158 /nfs/dbraw/zinc/83/11/58/199831158.db2.gz NSWOVOJQPDMZDA-SCZZXKLOSA-N 1 2 275.179 2.734 10 0 CFAELO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(Cl)nc1Cl ZINC000296250786 199831160 /nfs/dbraw/zinc/83/11/60/199831160.db2.gz NSWOVOJQPDMZDA-SCZZXKLOSA-N 1 2 275.179 2.734 10 0 CFAELO CC(C)COc1ccc([C@H](C)[NH2+]Cc2cnn[nH]2)cc1 ZINC000294913920 199244482 /nfs/dbraw/zinc/24/44/82/199244482.db2.gz FZCOFJSPBWZMJR-LBPRGKRZSA-N 1 2 274.368 2.690 10 0 CFAELO CC(C)COc1ccc([C@H](C)[NH2+]Cc2c[nH]nn2)cc1 ZINC000294913920 199244483 /nfs/dbraw/zinc/24/44/83/199244483.db2.gz FZCOFJSPBWZMJR-LBPRGKRZSA-N 1 2 274.368 2.690 10 0 CFAELO CC(C)COc1ccc([C@H](C)[NH2+]Cc2cn[nH]n2)cc1 ZINC000294913920 199244484 /nfs/dbraw/zinc/24/44/84/199244484.db2.gz FZCOFJSPBWZMJR-LBPRGKRZSA-N 1 2 274.368 2.690 10 0 CFAELO Cc1ccc(NC(=O)N2CCC[C@H]2c2cnn(C)c2)c(C)[nH+]1 ZINC000176729067 189006443 /nfs/dbraw/zinc/00/64/43/189006443.db2.gz IBMKSSAGNBSOTR-HNNXBMFYSA-N 1 2 299.378 2.801 10 0 CFAELO O=C(c1cc2ccccc2o1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177759900 189067180 /nfs/dbraw/zinc/06/71/80/189067180.db2.gz DMDDQIOWPSZKPQ-CQSZACIVSA-N 1 2 295.342 2.934 10 0 CFAELO Cc1ccc([C@H](C)NC(=O)NCc2ccn3cc[nH+]c3c2)o1 ZINC000177928603 189080032 /nfs/dbraw/zinc/08/00/32/189080032.db2.gz UHGSYMXJZKCOLA-LBPRGKRZSA-N 1 2 298.346 2.796 10 0 CFAELO CCCCS[C@@H](C)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177773299 189068581 /nfs/dbraw/zinc/06/85/81/189068581.db2.gz MVEVFQUGQVBZGY-UONOGXRCSA-N 1 2 295.452 2.796 10 0 CFAELO O[C@H](C[C@H]1CCC[N@@H+]1Cc1csnn1)c1ccccc1 ZINC000180241628 189245366 /nfs/dbraw/zinc/24/53/66/189245366.db2.gz UXAAAENCPYSKSP-HUUCEWRRSA-N 1 2 289.404 2.626 10 0 CFAELO O[C@H](C[C@H]1CCC[N@H+]1Cc1csnn1)c1ccccc1 ZINC000180241628 189245367 /nfs/dbraw/zinc/24/53/67/189245367.db2.gz UXAAAENCPYSKSP-HUUCEWRRSA-N 1 2 289.404 2.626 10 0 CFAELO C[C@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000183464092 189359770 /nfs/dbraw/zinc/35/97/70/189359770.db2.gz FAXOQGVWCBXITL-GOEBONIOSA-N 1 2 283.375 2.678 10 0 CFAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1cccc(C)c1C ZINC000184164868 189378489 /nfs/dbraw/zinc/37/84/89/189378489.db2.gz CHWQVRGZHMRTIU-MRXNPFEDSA-N 1 2 290.407 2.743 10 0 CFAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1cccc(C)c1C ZINC000184164868 189378490 /nfs/dbraw/zinc/37/84/90/189378490.db2.gz CHWQVRGZHMRTIU-MRXNPFEDSA-N 1 2 290.407 2.743 10 0 CFAELO CC[C@H](Nc1nc(C)[nH+]c2c1CCCC2)c1noc(C)n1 ZINC000302115734 201347314 /nfs/dbraw/zinc/34/73/14/201347314.db2.gz VXIJUTSWXHEAFZ-LBPRGKRZSA-N 1 2 287.367 2.918 10 0 CFAELO c1cn(-c2cccc(N[C@@H]3CO[C@@H](C4CC4)C3)c2)c[nH+]1 ZINC000667468666 541238537 /nfs/dbraw/zinc/23/85/37/541238537.db2.gz CGQNPQJFPZNLTA-GOEBONIOSA-N 1 2 269.348 2.852 10 0 CFAELO CCn1cc(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)cn1 ZINC000275445243 193041332 /nfs/dbraw/zinc/04/13/32/193041332.db2.gz GBQWDDJGSNOTRG-INIZCTEOSA-N 1 2 299.422 2.842 10 0 CFAELO CC(C)(C)OC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000000017075 371508999 /nfs/dbraw/zinc/50/89/99/371508999.db2.gz RXZKCVDQVXZSOH-UHFFFAOYSA-N 1 2 251.330 2.524 10 0 CFAELO CC(C)(C)OC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000000017075 371509005 /nfs/dbraw/zinc/50/90/05/371509005.db2.gz RXZKCVDQVXZSOH-UHFFFAOYSA-N 1 2 251.330 2.524 10 0 CFAELO CC(C)(C)n1nc(-c2ccccc2)c2c1nc[nH+]c2N ZINC000013831190 372051282 /nfs/dbraw/zinc/05/12/82/372051282.db2.gz MVIHEGXCXLFEMC-UHFFFAOYSA-N 1 2 267.336 2.831 10 0 CFAELO C[C@H]1[C@@H]2C(=O)c3ccc(O)cc3[C@@]1(C)CC[N@H+]2CC1CC1 ZINC000027987349 372355785 /nfs/dbraw/zinc/35/57/85/372355785.db2.gz HQBZLVPZOGIAIQ-LSKLOWJMSA-N 1 2 285.387 2.967 10 0 in-vitro CFAELO C[C@H]1[C@@H]2C(=O)c3ccc(O)cc3[C@@]1(C)CC[N@@H+]2CC1CC1 ZINC000027987349 372355791 /nfs/dbraw/zinc/35/57/91/372355791.db2.gz HQBZLVPZOGIAIQ-LSKLOWJMSA-N 1 2 285.387 2.967 10 0 in-vitro CFAELO CC(=O)Nc1ccc(C(=O)[C@H](C)[NH+]2CCCC2)cc1Cl ZINC000033638412 372498589 /nfs/dbraw/zinc/49/85/89/372498589.db2.gz MJKJGALYWSDOTP-JTQLQIEISA-N 1 2 294.782 2.965 10 0 CFAELO Cc1cc(CN(C)c2nc(C3CC3)[nH+]c3c2CCC3)no1 ZINC000333083310 205017903 /nfs/dbraw/zinc/01/79/03/205017903.db2.gz MOQOERQXRAJCEH-UHFFFAOYSA-N 1 2 284.363 2.776 10 0 CFAELO CCOc1cccc(-c2nc(N)c3c([nH+]2)CCC3)c1 ZINC000050844639 373383686 /nfs/dbraw/zinc/38/36/86/373383686.db2.gz FWBZTROJOGLWSU-UHFFFAOYSA-N 1 2 255.321 2.613 10 0 CFAELO CCOc1cc2[nH+]cc3c(=O)[nH][nH]c3c2cc1OCC ZINC000053994699 373493007 /nfs/dbraw/zinc/49/30/07/373493007.db2.gz CAONWUPCRJMCTH-UHFFFAOYSA-N 1 2 273.292 2.614 10 0 CFAELO CCc1c(C)[nH+]c(-c2ccncc2)nc1N1CCC(=O)CC1 ZINC000070452068 374180053 /nfs/dbraw/zinc/18/00/53/374180053.db2.gz NRBJZNMZLCGTCP-UHFFFAOYSA-N 1 2 296.374 2.579 10 0 CFAELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000092708127 375141743 /nfs/dbraw/zinc/14/17/43/375141743.db2.gz BDCSYIVMHPYAQV-HNNXBMFYSA-N 1 2 296.361 2.846 10 0 CFAELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000092708127 375141747 /nfs/dbraw/zinc/14/17/47/375141747.db2.gz BDCSYIVMHPYAQV-HNNXBMFYSA-N 1 2 296.361 2.846 10 0 CFAELO COc1ccccc1C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000092831834 375162533 /nfs/dbraw/zinc/16/25/33/375162533.db2.gz FIWVCVKDJBUBMZ-AWEZNQCLSA-N 1 2 290.388 2.725 10 0 CFAELO COc1ccccc1C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000092831834 375162537 /nfs/dbraw/zinc/16/25/37/375162537.db2.gz FIWVCVKDJBUBMZ-AWEZNQCLSA-N 1 2 290.388 2.725 10 0 CFAELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000101564064 375641142 /nfs/dbraw/zinc/64/11/42/375641142.db2.gz JPBGKSNSURLLOB-ZDUSSCGKSA-N 1 2 295.814 2.616 10 0 CFAELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000101564064 375641143 /nfs/dbraw/zinc/64/11/43/375641143.db2.gz JPBGKSNSURLLOB-ZDUSSCGKSA-N 1 2 295.814 2.616 10 0 CFAELO CC(=O)CC[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000103473213 375749227 /nfs/dbraw/zinc/74/92/27/375749227.db2.gz IRXSDRZTXWSOAJ-GFCCVEGCSA-N 1 2 296.436 2.793 10 0 CFAELO CC(=O)CC[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000103473213 375749232 /nfs/dbraw/zinc/74/92/32/375749232.db2.gz IRXSDRZTXWSOAJ-GFCCVEGCSA-N 1 2 296.436 2.793 10 0 CFAELO Cc1cc(CNc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)on1 ZINC000112076734 375883314 /nfs/dbraw/zinc/88/33/14/375883314.db2.gz FHPWQWCQRBKZMA-LLVKDONJSA-N 1 2 287.367 2.621 10 0 CFAELO Cc1cc(CNc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)on1 ZINC000112076734 375883321 /nfs/dbraw/zinc/88/33/21/375883321.db2.gz FHPWQWCQRBKZMA-LLVKDONJSA-N 1 2 287.367 2.621 10 0 CFAELO c1coc([C@@H]2CCC[N@H+]2Cc2cn3cccnc3n2)c1 ZINC000116296427 376177053 /nfs/dbraw/zinc/17/70/53/376177053.db2.gz PAXGOMQMBVYLQR-ZDUSSCGKSA-N 1 2 268.320 2.659 10 0 CFAELO c1coc([C@@H]2CCC[N@@H+]2Cc2cn3cccnc3n2)c1 ZINC000116296427 376177056 /nfs/dbraw/zinc/17/70/56/376177056.db2.gz PAXGOMQMBVYLQR-ZDUSSCGKSA-N 1 2 268.320 2.659 10 0 CFAELO Cc1cc(NC(=O)N[C@H]2COc3ccccc32)cc[nH+]1 ZINC000119249274 376378774 /nfs/dbraw/zinc/37/87/74/376378774.db2.gz YJJTYBFOSSUDAL-ZDUSSCGKSA-N 1 2 269.304 2.645 10 0 CFAELO CC(C)n1nnnc1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000120707465 376674254 /nfs/dbraw/zinc/67/42/54/376674254.db2.gz IQMMVSQRNFQUJA-SNVBAGLBSA-N 1 2 279.775 2.758 10 0 CFAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccco1 ZINC000131033113 377647773 /nfs/dbraw/zinc/64/77/73/377647773.db2.gz IWXRYTITAPPKQQ-MNOVXSKESA-N 1 2 260.341 2.619 10 0 CFAELO C[C@H]1C[N@H+](CC(=O)c2c[nH]c3ccccc23)CCS1 ZINC000134343301 378003210 /nfs/dbraw/zinc/00/32/10/378003210.db2.gz PIFHZYYHONTHSH-NSHDSACASA-N 1 2 274.389 2.788 10 0 CFAELO C[C@H]1C[N@@H+](CC(=O)c2c[nH]c3ccccc23)CCS1 ZINC000134343301 378003215 /nfs/dbraw/zinc/00/32/15/378003215.db2.gz PIFHZYYHONTHSH-NSHDSACASA-N 1 2 274.389 2.788 10 0 CFAELO CCC[C@H]([NH2+][C@@H]1CCSC1)C(=O)OC(C)(C)C ZINC000154865377 378598411 /nfs/dbraw/zinc/59/84/11/378598411.db2.gz VREAYAFJGJWLCJ-MNOVXSKESA-N 1 2 259.415 2.592 10 0 CFAELO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000155009190 378607947 /nfs/dbraw/zinc/60/79/47/378607947.db2.gz GVJQTXVVNLCIPM-HZPDHXFCSA-N 1 2 289.423 2.948 10 0 CFAELO COC(=O)c1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000163138136 378955277 /nfs/dbraw/zinc/95/52/77/378955277.db2.gz UNHWCFNGRYSDEI-QWHCGFSZSA-N 1 2 295.404 2.678 10 0 CFAELO COC(=O)c1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000163138136 378955284 /nfs/dbraw/zinc/95/52/84/378955284.db2.gz UNHWCFNGRYSDEI-QWHCGFSZSA-N 1 2 295.404 2.678 10 0 CFAELO CC(C)OC(=O)CSCc1[nH+]ccn1C(C)C ZINC000172698788 379626153 /nfs/dbraw/zinc/62/61/53/379626153.db2.gz VLJHEEAMCANMOS-UHFFFAOYSA-N 1 2 256.371 2.649 10 0 CFAELO Cn1c[nH+]cc1COC[C@@H](O)c1cccc2ccccc21 ZINC000000012981 169505938 /nfs/dbraw/zinc/50/59/38/169505938.db2.gz BVJILTZHXVXKLO-QGZVFWFLSA-N 1 2 282.343 2.824 10 0 CFAELO COc1ccc2[nH+]c(N[C@H]3CCCC[C@H]3O)ccc2c1 ZINC000174714307 379931001 /nfs/dbraw/zinc/93/10/01/379931001.db2.gz YGEHYVPWKLHARR-LSDHHAIUSA-N 1 2 272.348 2.959 10 0 CFAELO CCCCCC(C)(C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000175444417 380066398 /nfs/dbraw/zinc/06/63/98/380066398.db2.gz DLFDFDLOZCCCMW-HNNXBMFYSA-N 1 2 296.455 2.526 10 0 CFAELO CCn1cc[nH+]c1CS(=O)(=O)c1ccccc1Cl ZINC000177505778 380349248 /nfs/dbraw/zinc/34/92/48/380349248.db2.gz JHNDVIDUTZTFLF-UHFFFAOYSA-N 1 2 284.768 2.530 10 0 CFAELO CCn1c(C)nnc1C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000179894990 380594609 /nfs/dbraw/zinc/59/46/09/380594609.db2.gz CJLXXDVXAVFTJY-JTQLQIEISA-N 1 2 292.358 2.605 10 0 CFAELO CCCCC[C@@H](CC)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000181083379 380735288 /nfs/dbraw/zinc/73/52/88/380735288.db2.gz SMPHVEVMURFIMF-CVEARBPZSA-N 1 2 296.455 2.526 10 0 CFAELO CC(C)COC(=O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000181460073 380798026 /nfs/dbraw/zinc/79/80/26/380798026.db2.gz WBDMDNJCADQGAO-LBPRGKRZSA-N 1 2 251.326 2.616 10 0 CFAELO CC(C)COC(=O)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000181460073 380798035 /nfs/dbraw/zinc/79/80/35/380798035.db2.gz WBDMDNJCADQGAO-LBPRGKRZSA-N 1 2 251.326 2.616 10 0 CFAELO CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccccc2C)n1 ZINC000181536838 380819270 /nfs/dbraw/zinc/81/92/70/380819270.db2.gz HYOFCLVIHUCXFI-RYUDHWBXSA-N 1 2 275.352 2.936 10 0 CFAELO Cc1cc([C@@H](C)[NH2+]Cc2nnnn2C(C)C)c(C)s1 ZINC000182978357 381193567 /nfs/dbraw/zinc/19/35/67/381193567.db2.gz MSNSSUPFIZRBNH-SNVBAGLBSA-N 1 2 279.413 2.783 10 0 CFAELO C[C@@H]1C[C@H](C(=O)NCCc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC000183750098 381315797 /nfs/dbraw/zinc/31/57/97/381315797.db2.gz ZPZLBICSCVKQOA-NEPJUHHUSA-N 1 2 263.385 2.531 10 0 CFAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1cccc(Cl)c1 ZINC000184165986 381378768 /nfs/dbraw/zinc/37/87/68/381378768.db2.gz DUKKWJQUYIKGGH-AWEZNQCLSA-N 1 2 296.798 2.779 10 0 CFAELO CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1cccc(Cl)c1 ZINC000184165986 381378772 /nfs/dbraw/zinc/37/87/72/381378772.db2.gz DUKKWJQUYIKGGH-AWEZNQCLSA-N 1 2 296.798 2.779 10 0 CFAELO CCn1cc[nH+]c1CN1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000184816168 381482612 /nfs/dbraw/zinc/48/26/12/381482612.db2.gz ACUSKHIJYWQFPJ-LBPRGKRZSA-N 1 2 281.359 2.983 10 0 CFAELO CCc1ccc([C@@H](C)NC(=O)NCCn2cc[nH+]c2)cc1 ZINC000049787165 412950655 /nfs/dbraw/zinc/95/06/55/412950655.db2.gz PNLQOAFKEADBLD-CYBMUJFWSA-N 1 2 286.379 2.506 10 0 CFAELO c1ccc(C[NH2+]Cc2nc(COc3ccccc3)n[nH]2)cc1 ZINC000185761004 381726313 /nfs/dbraw/zinc/72/63/13/381726313.db2.gz AIGIILCAQWRWRP-UHFFFAOYSA-N 1 2 294.358 2.674 10 0 CFAELO C[C@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)C1CCC1 ZINC000186430007 381908778 /nfs/dbraw/zinc/90/87/78/381908778.db2.gz HSPTUAIROGKRPH-LBPRGKRZSA-N 1 2 286.379 2.662 10 0 CFAELO CCO[C@@H]1C[C@@H](Nc2ccc(C)[nH+]c2)C12CCOCC2 ZINC000186466146 381919201 /nfs/dbraw/zinc/91/92/01/381919201.db2.gz DTBIWHHGQKVRKT-HUUCEWRRSA-N 1 2 276.380 2.776 10 0 CFAELO COc1ccc(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)c(C)c1 ZINC000163052713 542314371 /nfs/dbraw/zinc/31/43/71/542314371.db2.gz VKGXYBKVXKZRSJ-GFCCVEGCSA-N 1 2 299.374 2.779 10 0 CFAELO COc1ccc(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)c(C)c1 ZINC000163052713 542314372 /nfs/dbraw/zinc/31/43/72/542314372.db2.gz VKGXYBKVXKZRSJ-GFCCVEGCSA-N 1 2 299.374 2.779 10 0 CFAELO Nc1[nH+]cnc(NC[C@@H](CO)CC2CCCCC2)c1Cl ZINC000302822724 382327551 /nfs/dbraw/zinc/32/75/51/382327551.db2.gz FGOWTROPGHAWML-NSHDSACASA-N 1 2 298.818 2.703 10 0 CFAELO Nc1nc[nH+]c(NC[C@@H](CO)CC2CCCCC2)c1Cl ZINC000302822724 382327557 /nfs/dbraw/zinc/32/75/57/382327557.db2.gz FGOWTROPGHAWML-NSHDSACASA-N 1 2 298.818 2.703 10 0 CFAELO CCn1nc(C)c(C[NH2+][C@H](C)c2ncc(C)o2)c1C ZINC000307977286 382472544 /nfs/dbraw/zinc/47/25/44/382472544.db2.gz APDCRSGQJOGSQM-LLVKDONJSA-N 1 2 262.357 2.667 10 0 CFAELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000189990000 382648820 /nfs/dbraw/zinc/64/88/20/382648820.db2.gz YJCRZUOZJYPHHB-QGZVFWFLSA-N 1 2 299.374 2.604 10 0 CFAELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000189990000 382648823 /nfs/dbraw/zinc/64/88/23/382648823.db2.gz YJCRZUOZJYPHHB-QGZVFWFLSA-N 1 2 299.374 2.604 10 0 CFAELO COC(=O)[C@@H](C)[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000193095595 382715567 /nfs/dbraw/zinc/71/55/67/382715567.db2.gz RZDOQXLOCKENTM-GARJFASQSA-N 1 2 292.404 2.939 10 0 CFAELO CCCCOC[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000193253021 382717379 /nfs/dbraw/zinc/71/73/79/382717379.db2.gz UUQZUKQONPQHKK-AWEZNQCLSA-N 1 2 276.380 2.831 10 0 CFAELO C[C@]([NH3+])(c1cscc1Br)C(F)F ZINC000575470529 382772578 /nfs/dbraw/zinc/77/25/78/382772578.db2.gz BJAVUXJSRGUTJD-ZETCQYMHSA-N 1 2 256.115 2.950 10 0 CFAELO COCc1ccc(C[NH2+][C@H](C)c2ncc(C)o2)o1 ZINC000337255946 382787340 /nfs/dbraw/zinc/78/73/40/382787340.db2.gz NDSHZYVGVVSECR-SNVBAGLBSA-N 1 2 250.298 2.573 10 0 CFAELO CCCOc1cccc2c(N3CCC[C@@H]3CO)cc[nH+]c12 ZINC000194708119 382752668 /nfs/dbraw/zinc/75/26/68/382752668.db2.gz WSLWLJZOQJISAV-CYBMUJFWSA-N 1 2 286.375 2.985 10 0 CFAELO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(CC)[nH]2)C12CCCC2 ZINC000248616072 383272235 /nfs/dbraw/zinc/27/22/35/383272235.db2.gz YYGCAXQYTBQFIX-QWHCGFSZSA-N 1 2 292.427 2.537 10 0 CFAELO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(CC)[nH]2)C12CCCC2 ZINC000248616072 383272241 /nfs/dbraw/zinc/27/22/41/383272241.db2.gz YYGCAXQYTBQFIX-QWHCGFSZSA-N 1 2 292.427 2.537 10 0 CFAELO CCC(=O)N1CC[C@H](c2[nH+]cc(C)n2Cc2ccccc2)C1 ZINC000257178343 383489728 /nfs/dbraw/zinc/48/97/28/383489728.db2.gz BQPVHBLTNGYBDK-INIZCTEOSA-N 1 2 297.402 2.966 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)c1ccccc1)C2 ZINC000163311096 542395784 /nfs/dbraw/zinc/39/57/84/542395784.db2.gz BPJTWBAKQOKPEO-RISCZKNCSA-N 1 2 283.375 2.700 10 0 CFAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)c1ccccc1)CC2 ZINC000163311096 542395787 /nfs/dbraw/zinc/39/57/87/542395787.db2.gz BPJTWBAKQOKPEO-RISCZKNCSA-N 1 2 283.375 2.700 10 0 CFAELO COCCCOC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000270540824 385140800 /nfs/dbraw/zinc/14/08/00/385140800.db2.gz CBCPCDMPEKBMKV-UHFFFAOYSA-N 1 2 289.379 2.585 10 0 CFAELO CC(C)Cc1nsc(N2CCC[C@H]2Cn2cc[nH+]c2)n1 ZINC000274704594 385853454 /nfs/dbraw/zinc/85/34/54/385853454.db2.gz RJTOIAOKTSGWEI-LBPRGKRZSA-N 1 2 291.424 2.602 10 0 CFAELO COc1ccc(C)cc1NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000163980518 542594779 /nfs/dbraw/zinc/59/47/79/542594779.db2.gz USWYQLQBJKQBQG-GFCCVEGCSA-N 1 2 299.374 2.779 10 0 CFAELO COc1ccc(C)cc1NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000163980518 542594782 /nfs/dbraw/zinc/59/47/82/542594782.db2.gz USWYQLQBJKQBQG-GFCCVEGCSA-N 1 2 299.374 2.779 10 0 CFAELO O[C@H]1C[C@@H](c2cc(F)ccc2F)[N@H+](Cc2cccnc2)C1 ZINC000246618570 131095877 /nfs/dbraw/zinc/09/58/77/131095877.db2.gz IGRFGLOXLVYYBC-BBRMVZONSA-N 1 2 290.313 2.668 10 0 CFAELO O[C@H]1C[C@@H](c2cc(F)ccc2F)[N@@H+](Cc2cccnc2)C1 ZINC000246618570 131095878 /nfs/dbraw/zinc/09/58/78/131095878.db2.gz IGRFGLOXLVYYBC-BBRMVZONSA-N 1 2 290.313 2.668 10 0 CFAELO CCCCOC(=O)[C@@H](C)[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000247012487 131098912 /nfs/dbraw/zinc/09/89/12/131098912.db2.gz UGQOTBIESHTTBF-OCCSQVGLSA-N 1 2 279.384 2.669 10 0 CFAELO CCCCOC(=O)[C@@H](C)[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000247012487 131098914 /nfs/dbraw/zinc/09/89/14/131098914.db2.gz UGQOTBIESHTTBF-OCCSQVGLSA-N 1 2 279.384 2.669 10 0 CFAELO CCc1nnc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)o1 ZINC000192502912 393624886 /nfs/dbraw/zinc/62/48/86/393624886.db2.gz DOAPAMAQWMWIBG-MRVPVSSYSA-N 1 2 267.279 2.761 10 0 CFAELO CCc1[nH+]c(I)c2ccccn21 ZINC000068593466 393633922 /nfs/dbraw/zinc/63/39/22/393633922.db2.gz LAEZZXRTKWPTAW-UHFFFAOYSA-N 1 2 272.089 2.501 10 0 CFAELO CCCc1nc(CSCc2[nH+]ccn2CC)no1 ZINC000083633078 393744736 /nfs/dbraw/zinc/74/47/36/393744736.db2.gz PUADMVCGSGCTKY-UHFFFAOYSA-N 1 2 266.370 2.672 10 0 CFAELO Cc1ccc([C@@H](C)[N@@H+](C)Cc2nnnn2C(C)C)cc1 ZINC000195082497 393730764 /nfs/dbraw/zinc/73/07/64/393730764.db2.gz FFUGTJAFJYODSG-CYBMUJFWSA-N 1 2 273.384 2.755 10 0 CFAELO Cc1ccc([C@@H](C)[N@H+](C)Cc2nnnn2C(C)C)cc1 ZINC000195082497 393730766 /nfs/dbraw/zinc/73/07/66/393730766.db2.gz FFUGTJAFJYODSG-CYBMUJFWSA-N 1 2 273.384 2.755 10 0 CFAELO Cc1csc([C@H]2C[N@H+](Cc3ccco3)CCO2)n1 ZINC000092790195 393791583 /nfs/dbraw/zinc/79/15/83/393791583.db2.gz KQPFRSKMMFCDPP-GFCCVEGCSA-N 1 2 264.350 2.618 10 0 CFAELO Cc1csc([C@H]2C[N@@H+](Cc3ccco3)CCO2)n1 ZINC000092790195 393791585 /nfs/dbraw/zinc/79/15/85/393791585.db2.gz KQPFRSKMMFCDPP-GFCCVEGCSA-N 1 2 264.350 2.618 10 0 CFAELO C[C@@H](COCc1ccccc1)Nc1nc[nH+]c(N)c1Cl ZINC000277885433 394058453 /nfs/dbraw/zinc/05/84/53/394058453.db2.gz SPXDTKOHKPTTBL-JTQLQIEISA-N 1 2 292.770 2.729 10 0 CFAELO C[C@@H](COCc1ccccc1)Nc1[nH+]cnc(N)c1Cl ZINC000277885433 394058456 /nfs/dbraw/zinc/05/84/56/394058456.db2.gz SPXDTKOHKPTTBL-JTQLQIEISA-N 1 2 292.770 2.729 10 0 CFAELO CCCC(=O)Nc1cccc(Cl)c1N1CC[NH+](C)CC1 ZINC000020496784 134731661 /nfs/dbraw/zinc/73/16/61/134731661.db2.gz RYRNZGAGYAJGMH-UHFFFAOYSA-N 1 2 295.814 2.830 10 0 CFAELO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC000135108734 394211423 /nfs/dbraw/zinc/21/14/23/394211423.db2.gz OUOZUGSWFOMUBU-NSHDSACASA-N 1 2 297.424 2.632 10 0 CFAELO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1nccs1 ZINC000135108734 394211426 /nfs/dbraw/zinc/21/14/26/394211426.db2.gz OUOZUGSWFOMUBU-NSHDSACASA-N 1 2 297.424 2.632 10 0 CFAELO C[C@@H]1CCCCN1c1[nH+]c2c(cc1C(N)=S)CCCC2 ZINC000043410738 134902080 /nfs/dbraw/zinc/90/20/80/134902080.db2.gz AYYBUYXIXJOHGC-LLVKDONJSA-N 1 2 289.448 2.973 10 0 CFAELO C[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177778276 394384982 /nfs/dbraw/zinc/38/49/82/394384982.db2.gz ODSVDAIDBNHCMC-RBSFLKMASA-N 1 2 275.396 2.700 10 0 CFAELO CCc1nnc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)o1 ZINC000181336045 543021588 /nfs/dbraw/zinc/02/15/88/543021588.db2.gz GKRDQAPMGYRGTH-JTQLQIEISA-N 1 2 263.316 2.930 10 0 CFAELO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000193726624 543090420 /nfs/dbraw/zinc/09/04/20/543090420.db2.gz KITYKQBMZHTGOB-OAHLLOKOSA-N 1 2 287.338 2.675 10 0 CFAELO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000193726624 543090421 /nfs/dbraw/zinc/09/04/21/543090421.db2.gz KITYKQBMZHTGOB-OAHLLOKOSA-N 1 2 287.338 2.675 10 0 CFAELO Cc1ccc2c(c1)[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H](C)C2 ZINC000193782778 543092069 /nfs/dbraw/zinc/09/20/69/543092069.db2.gz IOYSKBNIENAOFS-YVEFUNNKSA-N 1 2 283.375 2.700 10 0 CFAELO Cc1ccc2c(c1)[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H](C)C2 ZINC000193782778 543092070 /nfs/dbraw/zinc/09/20/70/543092070.db2.gz IOYSKBNIENAOFS-YVEFUNNKSA-N 1 2 283.375 2.700 10 0 CFAELO Cc1cc[nH+]c(Nc2cnn(Cc3ccccc3)c2)c1N ZINC000307017299 397643317 /nfs/dbraw/zinc/64/33/17/397643317.db2.gz PYIBRGVTNGSNIV-UHFFFAOYSA-N 1 2 279.347 2.961 10 0 CFAELO Oc1ccc(/C=C2\CCC=C2[NH+]2CCOCC2)cc1 ZINC000103543134 296590827 /nfs/dbraw/zinc/59/08/27/296590827.db2.gz HTXXCKDSYZYQGP-WYMLVPIESA-N 1 2 257.333 2.786 10 0 CFAELO Cn1cccc1C(=O)C[NH+]1CCC(c2nccs2)CC1 ZINC000373973250 157053971 /nfs/dbraw/zinc/05/39/71/157053971.db2.gz OLOBXPOJJWRUNN-UHFFFAOYSA-N 1 2 289.404 2.544 10 0 CFAELO C[C@@H]1CCC[N@H+](CNC(=O)c2cc3ccccc3o2)C1 ZINC000006007638 170167719 /nfs/dbraw/zinc/16/77/19/170167719.db2.gz PEOUGOLUAFNHEE-GFCCVEGCSA-N 1 2 272.348 2.852 10 0 CFAELO C[C@@H]1CCC[N@@H+](CNC(=O)c2cc3ccccc3o2)C1 ZINC000006007638 170167721 /nfs/dbraw/zinc/16/77/21/170167721.db2.gz PEOUGOLUAFNHEE-GFCCVEGCSA-N 1 2 272.348 2.852 10 0 CFAELO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)n1)c1ccncc1 ZINC000020246048 171099503 /nfs/dbraw/zinc/09/95/03/171099503.db2.gz FKITYOSMJBWTIE-ZDUSSCGKSA-N 1 2 279.347 2.513 10 0 CFAELO Nc1cc(Cl)ccc1SCCn1cc[nH+]c1 ZINC000020254157 171107186 /nfs/dbraw/zinc/10/71/86/171107186.db2.gz LNABNAFOLIAMNM-UHFFFAOYSA-N 1 2 253.758 2.911 10 0 CFAELO Nc1ccc(NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000020506326 171228795 /nfs/dbraw/zinc/22/87/95/171228795.db2.gz CSFLUIGWGQTJQT-UHFFFAOYSA-N 1 2 250.733 2.621 10 0 CFAELO C[C@@H]1CCCC[N@@H+]1Cc1cc(Br)no1 ZINC000276647561 287275248 /nfs/dbraw/zinc/27/52/48/287275248.db2.gz YPGBZTXQEHVPSX-MRVPVSSYSA-N 1 2 259.147 2.812 10 0 CFAELO C[C@@H]1CCCC[N@H+]1Cc1cc(Br)no1 ZINC000276647561 287275249 /nfs/dbraw/zinc/27/52/49/287275249.db2.gz YPGBZTXQEHVPSX-MRVPVSSYSA-N 1 2 259.147 2.812 10 0 CFAELO COC(=O)C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000037187560 173018280 /nfs/dbraw/zinc/01/82/80/173018280.db2.gz ROTYTZFNEWFTAF-CYBMUJFWSA-N 1 2 253.367 2.742 10 0 CFAELO Cc1cccc(NC(=O)CSc2ccc(N)[nH+]c2)c1 ZINC000037192676 173021925 /nfs/dbraw/zinc/02/19/25/173021925.db2.gz CCAVYULYFFGQAK-UHFFFAOYSA-N 1 2 273.361 2.703 10 0 CFAELO COc1ccccc1-n1c(N)[nH+]c2c1cccc2F ZINC000037421296 173198561 /nfs/dbraw/zinc/19/85/61/173198561.db2.gz IFBAFSGMLRVADN-UHFFFAOYSA-N 1 2 257.268 2.755 10 0 CFAELO COC(=O)[C@@](C)([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000037514708 173246176 /nfs/dbraw/zinc/24/61/76/173246176.db2.gz AHFZSKZERMZPLI-INIZCTEOSA-N 1 2 255.317 2.701 10 0 CFAELO Cc1[nH+]c2ccccc2n1-c1ccc(CO)cc1F ZINC000040176579 174201536 /nfs/dbraw/zinc/20/15/36/174201536.db2.gz FUZWLEUBOILPTP-UHFFFAOYSA-N 1 2 256.280 2.965 10 0 CFAELO CO[C@@H]1C[NH2+][C@@H](c2nc(C)c(-c3ccc(F)cc3)[nH]2)C1 ZINC000040637872 174361730 /nfs/dbraw/zinc/36/17/30/174361730.db2.gz MXGRFXOBXSVDQL-QWHCGFSZSA-N 1 2 275.327 2.574 10 0 CFAELO Cc1cc(C)cc(Nc2ncnc(-n3cc[nH+]c3)c2N)c1 ZINC000040682286 174375158 /nfs/dbraw/zinc/37/51/58/174375158.db2.gz IQSSCCPBNITVRO-UHFFFAOYSA-N 1 2 280.335 2.605 10 0 CFAELO CCN(CC)c1nc[nH+]c(Nc2cccc(OC)c2)c1N ZINC000040687963 174375612 /nfs/dbraw/zinc/37/56/12/174375612.db2.gz ZVFGEGSBVINMMM-UHFFFAOYSA-N 1 2 287.367 2.657 10 0 CFAELO CCN(CC)c1[nH+]cnc(Nc2cccc(OC)c2)c1N ZINC000040687963 174375613 /nfs/dbraw/zinc/37/56/13/174375613.db2.gz ZVFGEGSBVINMMM-UHFFFAOYSA-N 1 2 287.367 2.657 10 0 CFAELO CCc1ccc(Nc2[nH+]cnc(N3CCCC3)c2N)cc1 ZINC000040688414 174375917 /nfs/dbraw/zinc/37/59/17/174375917.db2.gz XWJBTOQYXCQOIJ-UHFFFAOYSA-N 1 2 283.379 2.965 10 0 CFAELO CCc1ccccc1Nc1[nH+]cnc(N2CCCC2)c1N ZINC000040688191 174376012 /nfs/dbraw/zinc/37/60/12/174376012.db2.gz VACKIVHCTYAQGV-UHFFFAOYSA-N 1 2 283.379 2.965 10 0 CFAELO CCOC1CC[NH+](CC(=O)c2ccccc2C)CC1 ZINC000040689815 174376426 /nfs/dbraw/zinc/37/64/26/174376426.db2.gz XSDRSSWGGLQUDM-UHFFFAOYSA-N 1 2 261.365 2.679 10 0 CFAELO CCNc1[nH+]cnc(Nc2cc(Cl)ccc2OC)c1N ZINC000040702245 174379169 /nfs/dbraw/zinc/37/91/69/174379169.db2.gz VSAGRDKWWXLAFW-UHFFFAOYSA-N 1 2 293.758 2.896 10 0 CFAELO CNc1nc[nH+]c(Nc2ccc(C)c(Cl)c2)c1N ZINC000040703535 174379178 /nfs/dbraw/zinc/37/91/78/174379178.db2.gz GNNYJKSIGKUYRI-UHFFFAOYSA-N 1 2 263.732 2.806 10 0 CFAELO CNc1[nH+]cnc(Nc2ccc(C)c(Cl)c2)c1N ZINC000040703535 174379179 /nfs/dbraw/zinc/37/91/79/174379179.db2.gz GNNYJKSIGKUYRI-UHFFFAOYSA-N 1 2 263.732 2.806 10 0 CFAELO CNc1[nH+]cnc(Nc2cccc(C(F)(F)F)c2)c1N ZINC000040706974 174379855 /nfs/dbraw/zinc/37/98/55/174379855.db2.gz WZNXYCWOSRJCPV-UHFFFAOYSA-N 1 2 283.257 2.863 10 0 CFAELO CNc1nc[nH+]c(Nc2cccc(C(F)(F)F)c2)c1N ZINC000040706974 174379856 /nfs/dbraw/zinc/37/98/56/174379856.db2.gz WZNXYCWOSRJCPV-UHFFFAOYSA-N 1 2 283.257 2.863 10 0 CFAELO CCN(CC)c1nc[nH+]c(Nc2ccccc2C)c1N ZINC000040723223 174385279 /nfs/dbraw/zinc/38/52/79/174385279.db2.gz JGCGRFSHVMICBD-UHFFFAOYSA-N 1 2 271.368 2.957 10 0 CFAELO Cc1ccccc1Nc1[nH+]cnc(N2CCCC2)c1N ZINC000040724371 174386671 /nfs/dbraw/zinc/38/66/71/174386671.db2.gz AWPQLCTWHHTRCY-UHFFFAOYSA-N 1 2 269.352 2.711 10 0 CFAELO Cc1cc(N(Cc2ccccc2N)C2CC2)nc[nH+]1 ZINC000040727594 174387829 /nfs/dbraw/zinc/38/78/29/174387829.db2.gz SZQNECKSMJEGLE-UHFFFAOYSA-N 1 2 254.337 2.536 10 0 CFAELO C[NH2+][C@H](c1nccn1C)c1c(F)cccc1Cl ZINC000041111718 174482464 /nfs/dbraw/zinc/48/24/64/174482464.db2.gz JYHIUKUBCSWCCJ-NSHDSACASA-N 1 2 253.708 2.521 10 0 CFAELO CC[N@H+](CC(=O)c1ccc(OC)c(Cl)c1)[C@H](C)COC ZINC000042774855 174872974 /nfs/dbraw/zinc/87/29/74/174872974.db2.gz PEYUWFJEZDQGPD-LLVKDONJSA-N 1 2 299.798 2.888 10 0 CFAELO CC[N@@H+](CC(=O)c1ccc(OC)c(Cl)c1)[C@H](C)COC ZINC000042774855 174872975 /nfs/dbraw/zinc/87/29/75/174872975.db2.gz PEYUWFJEZDQGPD-LLVKDONJSA-N 1 2 299.798 2.888 10 0 CFAELO CCOC(=O)[C@H](C)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000043614967 175079752 /nfs/dbraw/zinc/07/97/52/175079752.db2.gz BNSYSQJKGPLEIC-GFCCVEGCSA-N 1 2 260.337 2.852 10 0 CFAELO C[N@H+](Cc1ccccc1)[C@@H]1COc2ccccc2[C@@H]1O ZINC000044123466 175143502 /nfs/dbraw/zinc/14/35/02/175143502.db2.gz RPNOOACQTNKIJD-WBVHZDCISA-N 1 2 269.344 2.613 10 0 CFAELO C[N@@H+](Cc1ccccc1)[C@@H]1COc2ccccc2[C@@H]1O ZINC000044123466 175143504 /nfs/dbraw/zinc/14/35/04/175143504.db2.gz RPNOOACQTNKIJD-WBVHZDCISA-N 1 2 269.344 2.613 10 0 CFAELO COc1ccccc1[C@@H](O)C[NH+]1CCCCCCC1 ZINC000044125209 175143611 /nfs/dbraw/zinc/14/36/11/175143611.db2.gz FZIKMLXYIFYGJG-HNNXBMFYSA-N 1 2 263.381 2.995 10 0 CFAELO COC(=O)[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000044136357 175145903 /nfs/dbraw/zinc/14/59/03/175145903.db2.gz STXDBEKVBLXZBK-PWSUYJOCSA-N 1 2 287.281 2.714 10 0 CFAELO C[C@@H](CCc1ccccc1)[NH2+]CC(=O)OC(C)(C)C ZINC000044482657 175180117 /nfs/dbraw/zinc/18/01/17/175180117.db2.gz YUSDVHXLFFROHD-ZDUSSCGKSA-N 1 2 263.381 2.939 10 0 CFAELO C[C@@H](Nc1ccccc1-n1cc[nH+]c1)c1cnn(C)c1 ZINC000044496136 175183120 /nfs/dbraw/zinc/18/31/20/175183120.db2.gz YMQTZRQNCJYMRZ-GFCCVEGCSA-N 1 2 267.336 2.779 10 0 CFAELO C[N@@H+]1CCCC[C@@H]1Cn1c(=O)c2sccc2[nH]c1=S ZINC000044563845 175207332 /nfs/dbraw/zinc/20/73/32/175207332.db2.gz PGCLKFUWBNNHEV-SECBINFHSA-N 1 2 295.433 2.605 10 0 CFAELO C[N@H+]1CCCC[C@@H]1Cn1c(=O)c2sccc2[nH]c1=S ZINC000044563845 175207333 /nfs/dbraw/zinc/20/73/33/175207333.db2.gz PGCLKFUWBNNHEV-SECBINFHSA-N 1 2 295.433 2.605 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H]2CCCC[C@@H]2C)c1N ZINC000044589736 175212072 /nfs/dbraw/zinc/21/20/72/175212072.db2.gz WQPFEJVMEDWYSA-ONGXEEELSA-N 1 2 265.357 2.702 10 0 CFAELO COc1ccc(C[N@H+](C)Cc2csc(C)n2)cc1N ZINC000044595028 175215250 /nfs/dbraw/zinc/21/52/50/175215250.db2.gz INDPVFNGERVUBC-UHFFFAOYSA-N 1 2 277.393 2.674 10 0 CFAELO COc1ccc(C[N@@H+](C)Cc2csc(C)n2)cc1N ZINC000044595028 175215252 /nfs/dbraw/zinc/21/52/52/175215252.db2.gz INDPVFNGERVUBC-UHFFFAOYSA-N 1 2 277.393 2.674 10 0 CFAELO Cc1cc(C[NH2+]Cc2ccccc2OC(F)F)on1 ZINC000044985923 175284845 /nfs/dbraw/zinc/28/48/45/175284845.db2.gz WDECAPJMXOMFKW-UHFFFAOYSA-N 1 2 268.263 2.874 10 0 CFAELO CCC1CCC(C[NH2+]c2ccc(N)c(C(N)=O)c2)CC1 ZINC000045015635 175290878 /nfs/dbraw/zinc/29/08/78/175290878.db2.gz IHXIYOKFBUBLFH-UHFFFAOYSA-N 1 2 275.396 2.996 10 0 CFAELO CCCC[N@H+](C[C@@](C)([NH2+]C(C)C)C(=O)[O-])[C@@H](C)CC ZINC000045282507 175352855 /nfs/dbraw/zinc/35/28/55/175352855.db2.gz QHDSSMVNCFWUHA-DZGCQCFKSA-N 1 2 272.433 2.728 10 0 CFAELO CCCC[N@@H+](C[C@@](C)([NH2+]C(C)C)C(=O)[O-])[C@@H](C)CC ZINC000045282507 175352856 /nfs/dbraw/zinc/35/28/56/175352856.db2.gz QHDSSMVNCFWUHA-DZGCQCFKSA-N 1 2 272.433 2.728 10 0 CFAELO C[C@@H](Nc1ccc(-n2cccn2)cc1)c1[nH+]ccn1C ZINC000070444139 175936169 /nfs/dbraw/zinc/93/61/69/175936169.db2.gz VQGNACRWTUONQD-GFCCVEGCSA-N 1 2 267.336 2.779 10 0 CFAELO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2cc(F)ccc2F)C1 ZINC000071652495 176241730 /nfs/dbraw/zinc/24/17/30/176241730.db2.gz FFGIKYZKXQYOOG-ZDUSSCGKSA-N 1 2 298.333 2.846 10 0 CFAELO CC[NH+](CC)c1ccc(-n2nc3ccc(N)cc3n2)cc1 ZINC000072176789 176334123 /nfs/dbraw/zinc/33/41/23/176334123.db2.gz QRSDPZISHKPRNZ-UHFFFAOYSA-N 1 2 281.363 2.849 10 0 CFAELO C[NH2+]CC(=O)OCc1c(C)cc(C(C)(C)C)cc1C ZINC000076363650 177003225 /nfs/dbraw/zinc/00/32/25/177003225.db2.gz QRHYNVUBSAEYOH-UHFFFAOYSA-N 1 2 263.381 2.864 10 0 CFAELO COC(=O)[C@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)c1ccccc1 ZINC000397874649 270319762 /nfs/dbraw/zinc/31/97/62/270319762.db2.gz YLHMKNCADDMTMW-KWCYVHTRSA-N 1 2 261.365 2.925 10 0 CFAELO C[C@@H](c1cccs1)[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000195084431 270250060 /nfs/dbraw/zinc/25/00/60/270250060.db2.gz WPZUWWBEBQYUIA-JTQLQIEISA-N 1 2 276.409 2.947 10 0 CFAELO C[C@@H](c1cccs1)[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000195084431 270250063 /nfs/dbraw/zinc/25/00/63/270250063.db2.gz WPZUWWBEBQYUIA-JTQLQIEISA-N 1 2 276.409 2.947 10 0 CFAELO COC(=O)[C@@H]1C[C@@H](Oc2ccc(Cl)cc2C(C)C)C[NH2+]1 ZINC000098089398 277368691 /nfs/dbraw/zinc/36/86/91/277368691.db2.gz ZAKXPFFLNLUPBS-YPMHNXCESA-N 1 2 297.782 2.746 10 0 CFAELO CC(C)c1[nH+]c2c(n1C)CCN(c1ccccn1)C2 ZINC000108952613 278076269 /nfs/dbraw/zinc/07/62/69/278076269.db2.gz NBYSEISUEMUSSB-UHFFFAOYSA-N 1 2 256.353 2.501 10 0 CFAELO CC(C)c1nnc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)n1C ZINC000246189851 278099409 /nfs/dbraw/zinc/09/94/09/278099409.db2.gz VHWKXPKQCUAPNA-OLZOCXBDSA-N 1 2 294.468 2.799 10 0 CFAELO CC(C)c1nnc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)n1C ZINC000246189851 278099410 /nfs/dbraw/zinc/09/94/10/278099410.db2.gz VHWKXPKQCUAPNA-OLZOCXBDSA-N 1 2 294.468 2.799 10 0 CFAELO CC(C)c1nnc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)n1C ZINC000186228157 278100328 /nfs/dbraw/zinc/10/03/28/278100328.db2.gz VHCXDPFSKLFBPB-UHFFFAOYSA-N 1 2 296.418 2.986 10 0 CFAELO CC(C)c1nnc(C[N@H+]2Cc3ccccc3C3(CC3)C2)n1C ZINC000186228157 278100330 /nfs/dbraw/zinc/10/03/30/278100330.db2.gz VHCXDPFSKLFBPB-UHFFFAOYSA-N 1 2 296.418 2.986 10 0 CFAELO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249735327 279100445 /nfs/dbraw/zinc/10/04/45/279100445.db2.gz DNDKKOKAULVQTE-XHSDSOJGSA-N 1 2 296.455 2.523 10 0 CFAELO CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249735327 279100449 /nfs/dbraw/zinc/10/04/49/279100449.db2.gz DNDKKOKAULVQTE-XHSDSOJGSA-N 1 2 296.455 2.523 10 0 CFAELO CCn1cc[nH+]c1CS(=O)(=O)[C@@H](C)c1ccccc1 ZINC000131928086 280724864 /nfs/dbraw/zinc/72/48/64/280724864.db2.gz AHGPACVZZRUOGE-LBPRGKRZSA-N 1 2 278.377 2.579 10 0 CFAELO CC(C)n1cc[nH+]c1CN1CCNc2ccccc21 ZINC000334599141 280778757 /nfs/dbraw/zinc/77/87/57/280778757.db2.gz IVPSKJWZNIDJFY-UHFFFAOYSA-N 1 2 256.353 2.896 10 0 CFAELO Cc1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(C)nc32)o1 ZINC000090223855 280981421 /nfs/dbraw/zinc/98/14/21/280981421.db2.gz NUQUDRPAWSYMNU-JQWIXIFHSA-N 1 2 260.341 2.674 10 0 CFAELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cnc(Cl)s2)cn1 ZINC000175427491 294279230 /nfs/dbraw/zinc/27/92/30/294279230.db2.gz UJNQXHBWLGINLB-NSHDSACASA-N 1 2 282.800 2.867 10 0 CFAELO Cn1cc([C@@H]2CCC[N@H+]2Cc2cnc(Cl)s2)cn1 ZINC000175427491 294279233 /nfs/dbraw/zinc/27/92/33/294279233.db2.gz UJNQXHBWLGINLB-NSHDSACASA-N 1 2 282.800 2.867 10 0 CFAELO Cc1nc(N2CCO[C@H]3CCCC[C@@H]32)c2c([nH+]1)CCCC2 ZINC000302115981 302648864 /nfs/dbraw/zinc/64/88/64/302648864.db2.gz WCLPHHRLKSALAI-HOTGVXAUSA-N 1 2 287.407 2.812 10 0 CFAELO NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116287523 303323129 /nfs/dbraw/zinc/32/31/29/303323129.db2.gz ZIXBTPSMXDSJBK-ZFWWWQNUSA-N 1 2 288.322 2.782 10 0 CFAELO NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000116287523 303323131 /nfs/dbraw/zinc/32/31/31/303323131.db2.gz ZIXBTPSMXDSJBK-ZFWWWQNUSA-N 1 2 288.322 2.782 10 0 CFAELO CCCNc1snnc1C[N@@H+]1CCCC[C@@H]1C ZINC000050792282 520201789 /nfs/dbraw/zinc/20/17/89/520201789.db2.gz QJWNIQKQBGHDDF-JTQLQIEISA-N 1 2 254.403 2.734 10 0 CFAELO CCCNc1snnc1C[N@H+]1CCCC[C@@H]1C ZINC000050792282 520201801 /nfs/dbraw/zinc/20/18/01/520201801.db2.gz QJWNIQKQBGHDDF-JTQLQIEISA-N 1 2 254.403 2.734 10 0 CFAELO CCCNc1snnc1C[N@H+](C)C[C@H](C)CC ZINC000050813237 520203325 /nfs/dbraw/zinc/20/33/25/520203325.db2.gz UEKSAXOXNHVUML-SNVBAGLBSA-N 1 2 256.419 2.838 10 0 CFAELO CCCNc1snnc1C[N@@H+](C)C[C@H](C)CC ZINC000050813237 520203336 /nfs/dbraw/zinc/20/33/36/520203336.db2.gz UEKSAXOXNHVUML-SNVBAGLBSA-N 1 2 256.419 2.838 10 0 CFAELO CCOC(=O)[C@@](C)(CCOC1CCCCC1)[NH2+]C1CC1 ZINC000045505226 521144803 /nfs/dbraw/zinc/14/48/03/521144803.db2.gz ZSKZICPYZHMQRJ-MRXNPFEDSA-N 1 2 283.412 2.800 10 0 CFAELO CC(C)N(Cc1ccccc1)c1cccc(CO)[nH+]1 ZINC000051041724 519658264 /nfs/dbraw/zinc/65/82/64/519658264.db2.gz ZUJDEBSKCNDYPJ-UHFFFAOYSA-N 1 2 256.349 2.989 10 0 CFAELO CC(=O)Nc1ccc(NCc2c[nH+]c(C)[nH]2)cc1C ZINC000054821661 519726312 /nfs/dbraw/zinc/72/63/12/519726312.db2.gz YYOIVCVENNKFFV-UHFFFAOYSA-N 1 2 258.325 2.597 10 0 CFAELO CC(=O)Nc1ccc(NCc2c[nH]c(C)[nH+]2)cc1C ZINC000054821661 519726313 /nfs/dbraw/zinc/72/63/13/519726313.db2.gz YYOIVCVENNKFFV-UHFFFAOYSA-N 1 2 258.325 2.597 10 0 CFAELO CC(C)c1nnc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)n1C ZINC000170837998 519886493 /nfs/dbraw/zinc/88/64/93/519886493.db2.gz VJKWZQLNVGJHLP-OAHLLOKOSA-N 1 2 299.422 2.625 10 0 CFAELO CC(C)c1nnc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)n1C ZINC000170837998 519886494 /nfs/dbraw/zinc/88/64/94/519886494.db2.gz VJKWZQLNVGJHLP-OAHLLOKOSA-N 1 2 299.422 2.625 10 0 CFAELO CC(C)n1nnnc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000195096243 520141184 /nfs/dbraw/zinc/14/11/84/520141184.db2.gz AZZIYBLJHHALNN-CQSZACIVSA-N 1 2 289.358 2.730 10 0 CFAELO CC(C)n1nnnc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000195096243 520141188 /nfs/dbraw/zinc/14/11/88/520141188.db2.gz AZZIYBLJHHALNN-CQSZACIVSA-N 1 2 289.358 2.730 10 0 CFAELO CCCNc1ccc(C[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000050814121 520158069 /nfs/dbraw/zinc/15/80/69/520158069.db2.gz WHNGXYNKDRAOTI-UHFFFAOYSA-N 1 2 263.385 2.514 10 0 CFAELO CCCNc1ccc(C[N@H+]2CCOC(C)(C)C2)cn1 ZINC000050814121 520158076 /nfs/dbraw/zinc/15/80/76/520158076.db2.gz WHNGXYNKDRAOTI-UHFFFAOYSA-N 1 2 263.385 2.514 10 0 CFAELO CC[NH2+][C@H](c1nnc(CC(F)(F)F)o1)c1ccccc1 ZINC000050618098 520212574 /nfs/dbraw/zinc/21/25/74/520212574.db2.gz HSBQTIUZAXOQDH-NSHDSACASA-N 1 2 285.269 2.873 10 0 CFAELO CCNc1snnc1C[N@H+]1CCC[C@H](CC)C1 ZINC000050813848 520387262 /nfs/dbraw/zinc/38/72/62/520387262.db2.gz DJUCIUSSYFLPHR-JTQLQIEISA-N 1 2 254.403 2.592 10 0 CFAELO CCNc1nc(-c2ccc(O)c(OC)c2)[nH+]c2c1CCC2 ZINC000050867665 520351323 /nfs/dbraw/zinc/35/13/23/520351323.db2.gz SVOFLYFWPQXTAG-UHFFFAOYSA-N 1 2 285.347 2.778 10 0 CFAELO CCNc1snnc1C[N@@H+]1CCCC[C@H]1CC ZINC000050812901 520386035 /nfs/dbraw/zinc/38/60/35/520386035.db2.gz WNVYTOHOBJTMMO-SNVBAGLBSA-N 1 2 254.403 2.734 10 0 CFAELO CCNc1snnc1C[N@H+]1CCCC[C@H]1CC ZINC000050812901 520386042 /nfs/dbraw/zinc/38/60/42/520386042.db2.gz WNVYTOHOBJTMMO-SNVBAGLBSA-N 1 2 254.403 2.734 10 0 CFAELO CCNc1snnc1C[N@@H+]1CCC[C@H](CC)C1 ZINC000050813848 520387257 /nfs/dbraw/zinc/38/72/57/520387257.db2.gz DJUCIUSSYFLPHR-JTQLQIEISA-N 1 2 254.403 2.592 10 0 CFAELO CCCC[C@@](CC)([NH2+]C[C@@H]1CCCO1)C(=O)OCC ZINC000069381795 521123929 /nfs/dbraw/zinc/12/39/29/521123929.db2.gz YKDVSVZPDLEWCX-DZGCQCFKSA-N 1 2 271.401 2.657 10 0 CFAELO CCOC(=O)[C@@](C)([NH3+])COc1ccccc1[C@H](C)CC ZINC000045519637 521153408 /nfs/dbraw/zinc/15/34/08/521153408.db2.gz TUWAKYIOUGHGPC-WBMJQRKESA-N 1 2 279.380 2.859 10 0 CFAELO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000049368524 521211516 /nfs/dbraw/zinc/21/15/16/521211516.db2.gz QBLUPFWIHKVIRA-SWLSCSKDSA-N 1 2 261.365 2.995 10 0 CFAELO CCOC(=O)[C@H]([NH2+]CC(C)C)c1ccc(F)cc1C ZINC000050580169 521267191 /nfs/dbraw/zinc/26/71/91/521267191.db2.gz PAUATANLBKWTRT-CQSZACIVSA-N 1 2 267.344 2.984 10 0 CFAELO CCCCc1noc([C@@H](C)[N@@H+]2CCS[C@@H](C)C2)n1 ZINC000246186701 521344096 /nfs/dbraw/zinc/34/40/96/521344096.db2.gz VRIOTBVHASCZBO-WDEREUQCSA-N 1 2 269.414 2.911 10 0 CFAELO CCCCc1noc([C@@H](C)[N@H+]2CCS[C@@H](C)C2)n1 ZINC000246186701 521344100 /nfs/dbraw/zinc/34/41/00/521344100.db2.gz VRIOTBVHASCZBO-WDEREUQCSA-N 1 2 269.414 2.911 10 0 CFAELO CCOc1cccc(Nc2cc[nH+]c(C(N)=S)c2)c1 ZINC000061812997 521402044 /nfs/dbraw/zinc/40/20/44/521402044.db2.gz AWTPUPHJXQFJDA-UHFFFAOYSA-N 1 2 273.361 2.858 10 0 CFAELO CCOC(=O)c1c[nH+]c2c(C)c(F)ccc2c1NC ZINC000050843363 521575647 /nfs/dbraw/zinc/57/56/47/521575647.db2.gz AKOCUMACGINAFF-UHFFFAOYSA-N 1 2 262.284 2.901 10 0 CFAELO CC[NH+]1CCN(c2ccc(C(C)=O)cc2Cl)CC1 ZINC000061693616 521697779 /nfs/dbraw/zinc/69/77/79/521697779.db2.gz SQPSWCDWIJBTJA-UHFFFAOYSA-N 1 2 266.772 2.685 10 0 CFAELO 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CC[C@H]1CCCC[C@H]1[NH2+]c1cc2c(cc1N)OCC(=O)N2 ZINC000049118703 523062723 /nfs/dbraw/zinc/06/27/23/523062723.db2.gz NYNZAKSNCJZAMW-CMPLNLGQSA-N 1 2 289.379 2.980 10 0 CFAELO CC[C@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1N ZINC000050442992 523334768 /nfs/dbraw/zinc/33/47/68/523334768.db2.gz ULJPARRJLJCBBO-LBPRGKRZSA-N 1 2 254.761 2.533 10 0 CFAELO CC[C@H]1COCC[N@H+]1Cc1ccc(Cl)cc1N ZINC000050442992 523334772 /nfs/dbraw/zinc/33/47/72/523334772.db2.gz ULJPARRJLJCBBO-LBPRGKRZSA-N 1 2 254.761 2.533 10 0 CFAELO COC(=O)[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000050506512 523624373 /nfs/dbraw/zinc/62/43/73/523624373.db2.gz LRLZBEHIFXCSGC-HNNXBMFYSA-N 1 2 259.349 2.679 10 0 CFAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ncc(C)s1 ZINC000245546920 523785371 /nfs/dbraw/zinc/78/53/71/523785371.db2.gz WVIDJEODZTVTBL-AVGNSLFASA-N 1 2 294.420 2.758 10 0 CFAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ncc(C)s1 ZINC000245546920 523785375 /nfs/dbraw/zinc/78/53/75/523785375.db2.gz WVIDJEODZTVTBL-AVGNSLFASA-N 1 2 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526895705 /nfs/dbraw/zinc/89/57/05/526895705.db2.gz RQVRALZBARSZQC-UHFFFAOYSA-N 1 2 279.727 2.755 10 0 CFAELO NC(=S)c1cc(N2CC[C@@H](c3ccccc3)C2)cc[nH+]1 ZINC000061813285 527115351 /nfs/dbraw/zinc/11/53/51/527115351.db2.gz GVAKIBILZXNRGI-CYBMUJFWSA-N 1 2 283.400 2.710 10 0 CFAELO Cc1nccc(C[NH2+]Cc2ccc(Cl)cc2F)n1 ZINC000160785675 527337449 /nfs/dbraw/zinc/33/74/49/527337449.db2.gz LSAIVKXYWAQNBA-UHFFFAOYSA-N 1 2 265.719 2.867 10 0 CFAELO [NH3+][C@@H](c1noc(C(F)(F)F)n1)c1cc(F)c(F)c(F)c1 ZINC000062720052 527340530 /nfs/dbraw/zinc/34/05/30/527340530.db2.gz GLAQOPXYWKMNMH-SSDOTTSWSA-N 1 2 297.158 2.554 10 0 CFAELO Cn1ccnc1SCc1cc2ccccc2[nH+]c1N ZINC000050833835 527449424 /nfs/dbraw/zinc/44/94/24/527449424.db2.gz KREBMIRAXRJVLM-UHFFFAOYSA-N 1 2 270.361 2.843 10 0 CFAELO Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)c[nH+]1 ZINC000061680429 527491074 /nfs/dbraw/zinc/49/10/74/527491074.db2.gz HZEOJITYJXXSRF-FPYGCLRLSA-N 1 2 273.723 2.969 10 0 CFAELO Nc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c[nH+]1 ZINC000156700592 527494533 /nfs/dbraw/zinc/49/45/33/527494533.db2.gz QMHUZPJMRGIMSP-UHFFFAOYSA-N 1 2 297.236 2.815 10 0 CFAELO Nc1nc(N2CCCC2)[nH+]cc1-c1cccc(Cl)c1 ZINC000061675390 527554630 /nfs/dbraw/zinc/55/46/30/527554630.db2.gz IQEPQIGSVAEAEQ-UHFFFAOYSA-N 1 2 274.755 2.979 10 0 CFAELO OCc1cccc(N2CC[C@H](c3ccccc3)C2)[nH+]1 ZINC000051042502 527636394 /nfs/dbraw/zinc/63/63/94/527636394.db2.gz ZOILCVKVRPCQBI-AWEZNQCLSA-N 1 2 254.333 2.568 10 0 CFAELO CCc1nc(C[N@@H+]2CCC[C@@H](C(C)=O)C2)cs1 ZINC000111690187 618049360 /nfs/dbraw/zinc/04/93/60/618049360.db2.gz JEYAUUFJJNWUNS-LLVKDONJSA-N 1 2 252.383 2.507 10 0 CFAELO CCc1nc(C[N@H+]2CCC[C@@H](C(C)=O)C2)cs1 ZINC000111690187 618049367 /nfs/dbraw/zinc/04/93/67/618049367.db2.gz JEYAUUFJJNWUNS-LLVKDONJSA-N 1 2 252.383 2.507 10 0 CFAELO CCOC[C@H](C)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000190770273 618382118 /nfs/dbraw/zinc/38/21/18/618382118.db2.gz BCIHYKFXDUFPGP-ZFWWWQNUSA-N 1 2 279.380 2.648 10 0 CFAELO CCOC[C@H](C)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000190770273 618382126 /nfs/dbraw/zinc/38/21/26/618382126.db2.gz BCIHYKFXDUFPGP-ZFWWWQNUSA-N 1 2 279.380 2.648 10 0 CFAELO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccc(Cl)s1 ZINC000262911771 620087141 /nfs/dbraw/zinc/08/71/41/620087141.db2.gz FUJUHNBWQOSBGV-BQBZGAKWSA-N 1 2 294.754 2.576 10 0 CFAELO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)c1cn(C)nn1 ZINC000902841729 621189731 /nfs/dbraw/zinc/18/97/31/621189731.db2.gz RKTHLMQQFBWQAR-YPMHNXCESA-N 1 2 286.379 2.768 10 0 CFAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(O)c(F)c2)o1 ZINC000231740325 623367610 /nfs/dbraw/zinc/36/76/10/623367610.db2.gz IKNMTXBYWQLWSU-VIFPVBQESA-N 1 2 250.273 2.679 10 0 CFAELO CC(C)C[C@@H]([NH3+])c1nc(-c2ccc(O)c(F)c2)no1 ZINC000232348922 623408516 /nfs/dbraw/zinc/40/85/16/623408516.db2.gz DYBYBNLRJNICME-SNVBAGLBSA-N 1 2 265.288 2.627 10 0 CFAELO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1ccco1 ZINC000124366041 187134480 /nfs/dbraw/zinc/13/44/80/187134480.db2.gz IVSCTJXKCOIZSJ-CQSZACIVSA-N 1 2 293.411 2.541 10 0 CFAELO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1ccco1 ZINC000124366041 187134481 /nfs/dbraw/zinc/13/44/81/187134481.db2.gz IVSCTJXKCOIZSJ-CQSZACIVSA-N 1 2 293.411 2.541 10 0 CFAELO COC(=O)C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127779764 187332324 /nfs/dbraw/zinc/33/23/24/187332324.db2.gz MCLHSUPYWROHEF-NSHDSACASA-N 1 2 282.409 2.619 10 0 CFAELO COC(=O)C[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127779764 187332327 /nfs/dbraw/zinc/33/23/27/187332327.db2.gz MCLHSUPYWROHEF-NSHDSACASA-N 1 2 282.409 2.619 10 0 CFAELO CCn1cc[nH+]c1C[S@@](=O)c1ccc(Cl)cc1 ZINC000177291023 529582750 /nfs/dbraw/zinc/58/27/50/529582750.db2.gz JQHIHJNTHMLXQO-QGZVFWFLSA-N 1 2 268.769 2.864 10 0 CFAELO Brc1cnc([C@@H]2[NH2+]CCc3occc32)s1 ZINC000714043318 539344488 /nfs/dbraw/zinc/34/44/88/539344488.db2.gz HILVDIZTVWXADP-SECBINFHSA-N 1 2 285.166 2.734 10 0 CFAELO CCOc1ccc(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)cc1 ZINC000220594351 539361189 /nfs/dbraw/zinc/36/11/89/539361189.db2.gz QLLVOYOVFUSDPM-LBPRGKRZSA-N 1 2 299.374 2.860 10 0 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/nfs/dbraw/zinc/99/92/19/393999219.db2.gz MXJNZNDNZYTCDE-CYBMUJFWSA-N 1 2 274.368 2.698 10 0 CFAELO CCc1ccc([C@H]2CCCC[N@H+]2Cc2nncn2C)o1 ZINC000124926004 393999225 /nfs/dbraw/zinc/99/92/25/393999225.db2.gz MXJNZNDNZYTCDE-CYBMUJFWSA-N 1 2 274.368 2.698 10 0 CFAELO C[C@H]1CC[C@H](C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)O1 ZINC000133243347 394172633 /nfs/dbraw/zinc/17/26/33/394172633.db2.gz JGGGCDUFTZUVQW-SMDDNHRTSA-N 1 2 285.347 2.593 10 0 CFAELO COc1ccc[nH+]c1NCC1C[C@H](C)O[C@@H](C)C1 ZINC000528001314 394437539 /nfs/dbraw/zinc/43/75/39/394437539.db2.gz OZCWCVVKIRDZTE-QWRGUYRKSA-N 1 2 250.342 2.706 10 0 CFAELO CCc1nnc(C[NH2+][C@H](C)c2ccc(Cl)s2)n1C ZINC000182994859 543034120 /nfs/dbraw/zinc/03/41/20/543034120.db2.gz CJOMDOROFFDACD-MRVPVSSYSA-N 1 2 284.816 2.943 10 0 CFAELO Cc1nc([C@@H]2CCCN2Cc2[nH+]ccn2C)cs1 ZINC000189828635 543070821 /nfs/dbraw/zinc/07/08/21/543070821.db2.gz MTEJRPJRONYIBH-LBPRGKRZSA-N 1 2 262.382 2.522 10 0 CFAELO CC1(C)C[C@H](NC(=O)CCc2c[nH+]c[nH]2)c2ccccc2O1 ZINC000193541276 543089645 /nfs/dbraw/zinc/08/96/45/543089645.db2.gz SMZZCZNMEQEXIN-AWEZNQCLSA-N 1 2 299.374 2.761 10 0 CFAELO CC1(C)C[C@H](NC(=O)CCc2c[nH]c[nH+]2)c2ccccc2O1 ZINC000193541276 543089651 /nfs/dbraw/zinc/08/96/51/543089651.db2.gz SMZZCZNMEQEXIN-AWEZNQCLSA-N 1 2 299.374 2.761 10 0 CFAELO CC(C)c1nc(N2CCC(c3ccnn3C)CC2)cc[nH+]1 ZINC000110414153 397599203 /nfs/dbraw/zinc/59/92/03/397599203.db2.gz CFGPHCALAXXQLZ-UHFFFAOYSA-N 1 2 285.395 2.718 10 0 CFAELO COc1ccccc1[C@@H](C)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000090223250 286509001 /nfs/dbraw/zinc/50/90/01/286509001.db2.gz LENOVIFSFXZQTJ-RISCZKNCSA-N 1 2 286.379 2.781 10 0 CFAELO [NH3+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000021501238 171305520 /nfs/dbraw/zinc/30/55/20/171305520.db2.gz KFZBBVWTSHCIHB-ZDUSSCGKSA-N 1 2 251.289 2.785 10 0 CFAELO CC(C)(C)n1nc(Cc2ccccc2)c2c1nc[nH+]c2N ZINC000022048112 171350753 /nfs/dbraw/zinc/35/07/53/171350753.db2.gz DCRVCTFFEZBXCK-UHFFFAOYSA-N 1 2 281.363 2.754 10 0 in-vitro CFAELO [NH3+][C@H](c1nc(-c2cccc(F)c2)no1)c1ccccc1 ZINC000035660511 172337322 /nfs/dbraw/zinc/33/73/22/172337322.db2.gz KBEDLUSUZJMCLI-ZDUSSCGKSA-N 1 2 269.279 2.924 10 0 CFAELO Cc1cccn2cc(CSc3ccncc3N)[nH+]c12 ZINC000037189815 173019333 /nfs/dbraw/zinc/01/93/33/173019333.db2.gz INNZGCUGQORFLJ-UHFFFAOYSA-N 1 2 270.361 2.912 10 0 CFAELO COC(=O)c1oc(CSc2ccc(N)[nH+]c2)cc1C ZINC000037192170 173020950 /nfs/dbraw/zinc/02/09/50/173020950.db2.gz NMYYMERWUKQGGB-UHFFFAOYSA-N 1 2 278.333 2.644 10 0 CFAELO COC(=O)c1ccc(CSc2ccc(N)[nH+]c2)cc1 ZINC000037192513 173021762 /nfs/dbraw/zinc/02/17/62/173021762.db2.gz HOBAWTBMKIRIJM-UHFFFAOYSA-N 1 2 274.345 2.743 10 0 CFAELO COC1CC[NH+]([C@H](C)C(=O)c2ccc(F)cc2)CC1 ZINC000037337259 173138441 /nfs/dbraw/zinc/13/84/41/173138441.db2.gz RQOCLRUHYPFESK-LLVKDONJSA-N 1 2 265.328 2.508 10 0 CFAELO CCCCOC(=O)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000037394110 173174494 /nfs/dbraw/zinc/17/44/94/173174494.db2.gz UGNBRVPWIQBGTC-OAHLLOKOSA-N 1 2 261.365 2.997 10 0 CFAELO C[C@@H]1C[NH+](Cc2c(N)cccc2Br)C[C@@H](C)O1 ZINC000037401768 173178174 /nfs/dbraw/zinc/17/81/74/173178174.db2.gz FMZMSQNREDVFIA-NXEZZACHSA-N 1 2 299.212 2.641 10 0 CFAELO C[C@H](c1ccncc1)n1c(N)[nH+]c2c1cccc2F ZINC000037421495 173198309 /nfs/dbraw/zinc/19/83/09/173198309.db2.gz CPNGUCYTQVMYPY-SECBINFHSA-N 1 2 256.284 2.762 10 0 CFAELO CC(=O)N(Cc1ccccc1)Cc1cc(N)ccc1[NH+](C)C ZINC000037440458 173210094 /nfs/dbraw/zinc/21/00/94/173210094.db2.gz YSGGLHNPCWSHPG-UHFFFAOYSA-N 1 2 297.402 2.884 10 0 CFAELO CCOC(=O)[C@@](CC)([NH2+]C(C)C)c1ccc(O)cc1 ZINC000037446092 173213042 /nfs/dbraw/zinc/21/30/42/173213042.db2.gz JWJHXARICUVEJG-HNNXBMFYSA-N 1 2 265.353 2.559 10 0 CFAELO COC(=O)[C@]1([NH2+]C(C)C)CCCCc2ccccc21 ZINC000037445829 173213106 /nfs/dbraw/zinc/21/31/06/173213106.db2.gz IPYPQTQCJUCOEH-INIZCTEOSA-N 1 2 261.365 2.779 10 0 CFAELO CCC[NH2+][C@](C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000037513235 173244045 /nfs/dbraw/zinc/24/40/45/173244045.db2.gz WREUOVRVUMNOER-ZDUSSCGKSA-N 1 2 255.745 2.728 10 0 CFAELO CCOC(=O)[C@@]1([NH2+]C2CC2)C[C@H](C)CC(C)(C)C1 ZINC000037514370 173246188 /nfs/dbraw/zinc/24/61/88/173246188.db2.gz BFAFIMUWEZLXRU-IAQYHMDHSA-N 1 2 253.386 2.887 10 0 CFAELO CC[C@@H]1C[N@H+](Cc2ccc(N)cc2Br)CCO1 ZINC000037515957 173247212 /nfs/dbraw/zinc/24/72/12/173247212.db2.gz ROBRXGALNZSAQW-GFCCVEGCSA-N 1 2 299.212 2.642 10 0 CFAELO CC[C@@H]1C[N@@H+](Cc2ccc(N)cc2Br)CCO1 ZINC000037515957 173247213 /nfs/dbraw/zinc/24/72/13/173247213.db2.gz ROBRXGALNZSAQW-GFCCVEGCSA-N 1 2 299.212 2.642 10 0 CFAELO CC[C@H]1COCC[N@@H+]1Cc1ccc(N)cc1Br ZINC000037516002 173247790 /nfs/dbraw/zinc/24/77/90/173247790.db2.gz PCKGWJZKKJNKJM-LBPRGKRZSA-N 1 2 299.212 2.642 10 0 CFAELO CC[C@H]1COCC[N@H+]1Cc1ccc(N)cc1Br ZINC000037516002 173247791 /nfs/dbraw/zinc/24/77/91/173247791.db2.gz PCKGWJZKKJNKJM-LBPRGKRZSA-N 1 2 299.212 2.642 10 0 CFAELO COc1cccc2cc([C@@H](C)[NH2+]Cc3nc(C)no3)oc21 ZINC000038034212 174032666 /nfs/dbraw/zinc/03/26/66/174032666.db2.gz OSJJIKAGTWWZOW-SECBINFHSA-N 1 2 287.319 2.984 10 0 CFAELO Cc1nccc(C[NH2+][C@@H](C)c2nc3ccccc3n2C)n1 ZINC000038037330 174037896 /nfs/dbraw/zinc/03/78/96/174037896.db2.gz BHIAOOSBOYBAAO-NSHDSACASA-N 1 2 281.363 2.523 10 0 CFAELO CC[C@H](C)[NH2+][C@]1(C(=O)OC)CCCc2ccccc21 ZINC000038066817 174078436 /nfs/dbraw/zinc/07/84/36/174078436.db2.gz ZHGLHVVEEWLKSZ-BLLLJJGKSA-N 1 2 261.365 2.779 10 0 CFAELO CCc1[nH+]c2cc(C(F)(F)F)ccc2n1CCO ZINC000040400864 174253240 /nfs/dbraw/zinc/25/32/40/174253240.db2.gz QOHXYHCBTXPBSS-UHFFFAOYSA-N 1 2 258.243 2.610 10 0 CFAELO CO[C@H]1C[NH2+][C@@H](c2nc(C)c(-c3ccc(F)cc3)[nH]2)C1 ZINC000040637874 174361710 /nfs/dbraw/zinc/36/17/10/174361710.db2.gz MXGRFXOBXSVDQL-CHWSQXEVSA-N 1 2 275.327 2.574 10 0 CFAELO Cc1ccnc(Nc2nc[nH+]c(NC3CCCC3)c2N)c1 ZINC000040701438 174379119 /nfs/dbraw/zinc/37/91/19/174379119.db2.gz GWNKGENVJIMDMZ-UHFFFAOYSA-N 1 2 284.367 2.860 10 0 CFAELO CC(C)Nc1nc[nH+]c(Nc2ccc(F)cc2)c1N ZINC000040708185 174380454 /nfs/dbraw/zinc/38/04/54/174380454.db2.gz GRPBMZBCZLGQRF-UHFFFAOYSA-N 1 2 261.304 2.762 10 0 CFAELO CC[NH+](CC)CCOc1c(C(=O)[O-])c[nH+]c2ccccc21 ZINC000041718907 174616867 /nfs/dbraw/zinc/61/68/67/174616867.db2.gz PYLNTOOHRHJICI-UHFFFAOYSA-N 1 2 288.347 2.654 10 0 CFAELO NC(=O)[C@@H]([NH2+]Cc1cccs1)c1ccc(Cl)c(F)c1 ZINC000043390881 175033689 /nfs/dbraw/zinc/03/36/89/175033689.db2.gz ZLPMFCXLYMWCPK-LBPRGKRZSA-N 1 2 298.770 2.857 10 0 CFAELO COC(=O)[C@H](CC(C)C)Nc1ccc([NH3+])cc1C ZINC000043430623 175043260 /nfs/dbraw/zinc/04/32/60/175043260.db2.gz JPYAOHFEARVCKF-ZDUSSCGKSA-N 1 2 250.342 2.577 10 0 CFAELO CC[C@H](C)[C@@H]([NH2+]Cc1ccc(O)c(Cl)c1)C(=O)OC ZINC000043479444 175055464 /nfs/dbraw/zinc/05/54/64/175055464.db2.gz KXYJPFRUZNNYEZ-TVQRCGJNSA-N 1 2 285.771 2.723 10 0 CFAELO c1ccc(-c2nnc([C@@H]3[NH2+]CCc4ccccc43)[nH]2)cc1 ZINC000043601626 175077862 /nfs/dbraw/zinc/07/78/62/175077862.db2.gz QBCZRKKNEOQUDG-OAHLLOKOSA-N 1 2 276.343 2.707 10 0 CFAELO CC[NH2+][C@@H]1c2c(c(Cl)ccc2Cl)S(=O)(=O)[C@@H]1C ZINC000043636450 175083270 /nfs/dbraw/zinc/08/32/70/175083270.db2.gz FMONOVFHFQZGOR-LDWIPMOCSA-N 1 2 294.203 2.820 10 0 CFAELO CCOC(=O)[C@@H](C)[N@@H+]1CCc2sccc2[C@@H]1C ZINC000043638895 175084030 /nfs/dbraw/zinc/08/40/30/175084030.db2.gz XWUKCMJKDBGCIN-VHSXEESVSA-N 1 2 253.367 2.619 10 0 CFAELO CCOC(=O)[C@@H](C)[N@H+]1CCc2sccc2[C@@H]1C ZINC000043638895 175084032 /nfs/dbraw/zinc/08/40/32/175084032.db2.gz XWUKCMJKDBGCIN-VHSXEESVSA-N 1 2 253.367 2.619 10 0 CFAELO C[C@H](CCc1ccccc1)[NH2+]c1ccc(N)c(C(N)=O)c1 ZINC000044483168 175180074 /nfs/dbraw/zinc/18/00/74/175180074.db2.gz KZSWVHDKGKUOAK-GFCCVEGCSA-N 1 2 283.375 2.801 10 0 CFAELO CCn1cc([C@@H](C)Nc2ccc[nH+]c2N(C)C)cn1 ZINC000044497205 175183963 /nfs/dbraw/zinc/18/39/63/175183963.db2.gz VMQSKWKUAXOWTJ-LLVKDONJSA-N 1 2 259.357 2.537 10 0 CFAELO C[N@@H+]1CCCC[C@H]1Cn1c(=O)c2sccc2[nH]c1=S ZINC000044563846 175207604 /nfs/dbraw/zinc/20/76/04/175207604.db2.gz PGCLKFUWBNNHEV-VIFPVBQESA-N 1 2 295.433 2.605 10 0 CFAELO C[N@H+]1CCCC[C@H]1Cn1c(=O)c2sccc2[nH]c1=S ZINC000044563846 175207606 /nfs/dbraw/zinc/20/76/06/175207606.db2.gz PGCLKFUWBNNHEV-VIFPVBQESA-N 1 2 295.433 2.605 10 0 CFAELO Cc1cccnc1-c1noc([C@@H]2[NH2+]CCc3sccc32)n1 ZINC000044593007 175214181 /nfs/dbraw/zinc/21/41/81/175214181.db2.gz WXZMBDZRABVOIM-CYBMUJFWSA-N 1 2 298.371 2.737 10 0 CFAELO CCC[NH2+]Cc1nc(C)c(-c2ccc(OC)cc2)[nH]1 ZINC000044651887 175225043 /nfs/dbraw/zinc/22/50/43/175225043.db2.gz PUHFIPCYSPYTNL-UHFFFAOYSA-N 1 2 259.353 2.893 10 0 CFAELO NC(=S)c1cc[nH+]c(N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000044660433 175226080 /nfs/dbraw/zinc/22/60/80/175226080.db2.gz BNJVURKWVPMCHV-CHWSQXEVSA-N 1 2 269.373 2.684 10 0 CFAELO O=c1nc(C[NH2+][C@@H]2C[C@@H]2c2ccccc2)[nH]c2ccsc21 ZINC000044677095 175227506 /nfs/dbraw/zinc/22/75/06/175227506.db2.gz PQPVWDMWCLIPJM-DGCLKSJQSA-N 1 2 297.383 2.630 10 0 CFAELO COc1ccc([C@@H](C)[NH2+]Cc2cc(C)on2)c(F)c1 ZINC000044692956 175233902 /nfs/dbraw/zinc/23/39/02/175233902.db2.gz LTEQZBGBYNCGSK-SNVBAGLBSA-N 1 2 264.300 2.982 10 0 CFAELO COC(=O)[C@H]([NH2+][C@H]1CCCc2cc(O)ccc21)C(C)C ZINC000044747053 175242812 /nfs/dbraw/zinc/24/28/12/175242812.db2.gz KDHIVYOANAQCBS-LSDHHAIUSA-N 1 2 277.364 2.557 10 0 CFAELO CC(C)c1n[nH]c(=S)n1CCCCn1cc[nH+]c1 ZINC000045108444 175308783 /nfs/dbraw/zinc/30/87/83/175308783.db2.gz UOXRYWMXSDUWOT-UHFFFAOYSA-N 1 2 265.386 2.741 10 0 CFAELO Cn1cc[nH+]c1CCn1c(=S)[nH]c2ccccc21 ZINC000045135940 175313465 /nfs/dbraw/zinc/31/34/65/175313465.db2.gz WAZPVNXMKIMHKK-UHFFFAOYSA-N 1 2 258.350 2.675 10 0 CFAELO CCN(CC[C@](C)([NH2+]C1CC1)C(=O)OC)c1ccccc1 ZINC000045232180 175335377 /nfs/dbraw/zinc/33/53/77/175335377.db2.gz VDCXCGPCKHPAPL-KRWDZBQOSA-N 1 2 290.407 2.587 10 0 CFAELO CC[NH2+][C@@](C)(CN(CC)c1cccc(F)c1)C(=O)OCC ZINC000045275401 175345676 /nfs/dbraw/zinc/34/56/76/175345676.db2.gz GYAFFUOBZXPDSD-INIZCTEOSA-N 1 2 296.386 2.583 10 0 CFAELO CCC[NH2+][C@@](C)(CN(CC)c1cccc(F)c1)C(=O)OC ZINC000045275410 175345684 /nfs/dbraw/zinc/34/56/84/175345684.db2.gz GIOHYXFFPOADBV-INIZCTEOSA-N 1 2 296.386 2.583 10 0 CFAELO CCC[NH2+][C@](C)(C[N@H+](CC)CC(CC)CC)C(=O)[O-] ZINC000045277754 175347075 /nfs/dbraw/zinc/34/70/75/175347075.db2.gz OFZAELKDWWSIIR-OAHLLOKOSA-N 1 2 272.433 2.587 10 0 CFAELO CCC[NH2+][C@](C)(C[N@@H+](CC)CC(CC)CC)C(=O)[O-] ZINC000045277754 175347076 /nfs/dbraw/zinc/34/70/76/175347076.db2.gz OFZAELKDWWSIIR-OAHLLOKOSA-N 1 2 272.433 2.587 10 0 CFAELO C[NH2+][C@H](C[NH+](C1CCCCC1)C1CCCCC1)C(=O)[O-] ZINC000045369191 175363909 /nfs/dbraw/zinc/36/39/09/175363909.db2.gz RLTPQGLJQREYAL-OAHLLOKOSA-N 1 2 282.428 2.626 10 0 CFAELO COC(=O)c1cc(N[C@H](C)c2[nH+]ccn2C)ccc1F ZINC000070444363 175935974 /nfs/dbraw/zinc/93/59/74/175935974.db2.gz JOUZDKXGKNQLNT-SECBINFHSA-N 1 2 277.299 2.519 10 0 CFAELO Cc1[nH+]c2cc(CC(=O)NC3CC3)ccc2n1C(C)C ZINC000074975150 176644660 /nfs/dbraw/zinc/64/46/60/176644660.db2.gz PLRGFOOVFBEVBC-UHFFFAOYSA-N 1 2 271.364 2.747 10 0 CFAELO Fc1cccc(-c2csc([C@@H]3COCC[NH2+]3)n2)c1 ZINC000076136833 176931623 /nfs/dbraw/zinc/93/16/23/176931623.db2.gz DOAHTCGMKPXPEH-NSHDSACASA-N 1 2 264.325 2.610 10 0 CFAELO CCCN(C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471006 177025740 /nfs/dbraw/zinc/02/57/40/177025740.db2.gz KFIADNOWEHQOPS-CYBMUJFWSA-N 1 2 286.379 2.985 10 0 CFAELO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000392380093 270306621 /nfs/dbraw/zinc/30/66/21/270306621.db2.gz REZUMFRXBHEFFF-QWRGUYRKSA-N 1 2 274.368 2.924 10 0 CFAELO CC(C)(O)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187859945 277316768 /nfs/dbraw/zinc/31/67/68/277316768.db2.gz FNSDBVHOMBJKSN-CYBMUJFWSA-N 1 2 287.762 2.623 10 0 CFAELO CC(C)(O)C[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187859945 277316769 /nfs/dbraw/zinc/31/67/69/277316769.db2.gz FNSDBVHOMBJKSN-CYBMUJFWSA-N 1 2 287.762 2.623 10 0 CFAELO Cc1nc(C)c(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)s1 ZINC000299746447 282006627 /nfs/dbraw/zinc/00/66/27/282006627.db2.gz XLDRHMPDIQKJLF-JTQLQIEISA-N 1 2 290.392 2.535 10 0 CFAELO Cc1nc(C)c(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)s1 ZINC000299746447 282006628 /nfs/dbraw/zinc/00/66/28/282006628.db2.gz XLDRHMPDIQKJLF-JTQLQIEISA-N 1 2 290.392 2.535 10 0 CFAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(C)o1 ZINC000167874281 288635103 /nfs/dbraw/zinc/63/51/03/288635103.db2.gz HFBBRHPCSOPLJD-VXGBXAGGSA-N 1 2 274.368 2.928 10 0 CFAELO C[C@@H]1c2ccccc2CC[N@H+]1Cc1nnc(C2CC2)n1C ZINC000170955325 289075997 /nfs/dbraw/zinc/07/59/97/289075997.db2.gz DDGSRXMEWCVFFE-GFCCVEGCSA-N 1 2 282.391 2.812 10 0 CFAELO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000170955325 289075999 /nfs/dbraw/zinc/07/59/99/289075999.db2.gz DDGSRXMEWCVFFE-GFCCVEGCSA-N 1 2 282.391 2.812 10 0 CFAELO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1cscn1 ZINC000162406559 322364435 /nfs/dbraw/zinc/36/44/35/322364435.db2.gz ZWRDWLMBTGQFTP-VXGBXAGGSA-N 1 2 255.431 2.770 10 0 CFAELO CC(C)CN(CC(C)C)c1cc[nH+]c(C(N)=S)c1 ZINC000061812735 519713790 /nfs/dbraw/zinc/71/37/90/519713790.db2.gz JCQIOBRKUHNEQL-UHFFFAOYSA-N 1 2 265.426 2.834 10 0 CFAELO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ncc(C)o2)cc1 ZINC000220901419 519717908 /nfs/dbraw/zinc/71/79/08/519717908.db2.gz KKOZXEFPJFRNJT-LLVKDONJSA-N 1 2 273.336 2.792 10 0 CFAELO CC(C)c1nc(C2([NH2+]CCOCC3CC3)CCCC2)no1 ZINC000173700548 519859996 /nfs/dbraw/zinc/85/99/96/519859996.db2.gz VSNVAPQUYASWSF-UHFFFAOYSA-N 1 2 293.411 2.979 10 0 CFAELO CC[NH2+][C@@H](CCSc1ccc(C)cc1)C(=O)OC ZINC000062598262 520094047 /nfs/dbraw/zinc/09/40/47/520094047.db2.gz JSEDXYDVNDACDX-ZDUSSCGKSA-N 1 2 267.394 2.628 10 0 CFAELO CCCCCC[C@H](C)OCC[C@H]([NH2+]CC)C(=O)OC ZINC000062542692 520132649 /nfs/dbraw/zinc/13/26/49/520132649.db2.gz RXQQNEKWAYPPIR-KBPBESRZSA-N 1 2 273.417 2.903 10 0 CFAELO CCCCCCc1[nH+]c(-c2ccccc2)n(N)c1N ZINC000052839199 520137705 /nfs/dbraw/zinc/13/77/05/520137705.db2.gz DPBUZGUOZUCPSL-UHFFFAOYSA-N 1 2 258.369 2.969 10 0 CFAELO CC(C)n1nnnc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000195026881 520143030 /nfs/dbraw/zinc/14/30/30/520143030.db2.gz RACGKCZMNIGEKA-NSHDSACASA-N 1 2 277.397 2.653 10 0 CFAELO CC(C)n1nnnc1C[N@H+]1CCC[C@H]1c1cccs1 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CCOC(=O)N1C[C@H](c2ccc[nH+]c2N)Nc2ccccc21 ZINC000616683682 352411842 /nfs/dbraw/zinc/41/18/42/352411842.db2.gz SZKACARALBGJNK-CYBMUJFWSA-N 1 2 298.346 2.794 10 0 CFAELO CCOC(=O)N1C[C@H](c2cccc(N)[nH+]2)Cc2ccccc21 ZINC000616669967 352406021 /nfs/dbraw/zinc/40/60/21/352406021.db2.gz LEUBKVSVBXLLNW-CYBMUJFWSA-N 1 2 297.358 2.967 10 0 CFAELO CCN1C[C@@H](Nc2cccc[nH+]2)Cc2ccccc21 ZINC000616671487 352407022 /nfs/dbraw/zinc/40/70/22/352407022.db2.gz FIZGRPWRULEQCB-AWEZNQCLSA-N 1 2 253.349 2.945 10 0 CFAELO C[C@H](CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1)c1cccnc1 ZINC000329373467 202305769 /nfs/dbraw/zinc/30/57/69/202305769.db2.gz NADXVRKCRVZZNR-TZMCWYRMSA-N 1 2 284.363 2.662 10 0 CFAELO CCC(CC)S(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000176951016 189016121 /nfs/dbraw/zinc/01/61/21/189016121.db2.gz OLRYKEXJDJNYIH-UHFFFAOYSA-N 1 2 258.387 2.567 10 0 CFAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)C2 ZINC000220576669 540870936 /nfs/dbraw/zinc/87/09/36/540870936.db2.gz KLVQOXPORNAMIX-LOWVWBTDSA-N 1 2 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CFAELO c1cc(-c2noc(C[N@@H+]3CCCC[C@@H]3c3cn[nH]c3)n2)co1 ZINC000114482674 376069534 /nfs/dbraw/zinc/06/95/34/376069534.db2.gz YPFRUKUAFHBFFT-CYBMUJFWSA-N 1 2 299.334 2.780 10 0 CFAELO c1cc(-c2noc(C[N@H+]3CCCC[C@@H]3c3cn[nH]c3)n2)co1 ZINC000114482674 376069539 /nfs/dbraw/zinc/06/95/39/376069539.db2.gz YPFRUKUAFHBFFT-CYBMUJFWSA-N 1 2 299.334 2.780 10 0 CFAELO C[C@H](NC(=O)C1(C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000120527611 376633126 /nfs/dbraw/zinc/63/31/26/376633126.db2.gz YBUIURCNNXHLQQ-LBPRGKRZSA-N 1 2 269.348 2.850 10 0 CFAELO CCO[C@H]1C[C@@H]([N@H+](C)Cc2csnn2)C12CCCC2 ZINC000130125270 377511577 /nfs/dbraw/zinc/51/15/77/377511577.db2.gz RRTLXQMHENOELP-OLZOCXBDSA-N 1 2 281.425 2.708 10 0 CFAELO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2csnn2)C12CCCC2 ZINC000130125270 377511584 /nfs/dbraw/zinc/51/15/84/377511584.db2.gz RRTLXQMHENOELP-OLZOCXBDSA-N 1 2 281.425 2.708 10 0 CFAELO Cn1nccc1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000130146632 377513821 /nfs/dbraw/zinc/51/38/21/377513821.db2.gz XRJZOCHTKCXWSX-GFCCVEGCSA-N 1 2 262.382 2.604 10 0 CFAELO Cn1nccc1C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000130146632 377513829 /nfs/dbraw/zinc/51/38/29/377513829.db2.gz XRJZOCHTKCXWSX-GFCCVEGCSA-N 1 2 262.382 2.604 10 0 CFAELO COc1c(C[N@H+](Cc2cccs2)C2CC2)c(C)nn1C ZINC000130251784 377527830 /nfs/dbraw/zinc/52/78/30/377527830.db2.gz FWZYVJFABLWFAU-UHFFFAOYSA-N 1 2 291.420 2.963 10 0 CFAELO COc1c(C[N@@H+](Cc2cccs2)C2CC2)c(C)nn1C ZINC000130251784 377527835 /nfs/dbraw/zinc/52/78/35/377527835.db2.gz FWZYVJFABLWFAU-UHFFFAOYSA-N 1 2 291.420 2.963 10 0 CFAELO Cc1csc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)n1 ZINC000130397155 377550211 /nfs/dbraw/zinc/55/02/11/377550211.db2.gz HNSROANAQVXGQD-LBPRGKRZSA-N 1 2 262.382 2.522 10 0 CFAELO Cc1csc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)n1 ZINC000130397155 377550219 /nfs/dbraw/zinc/55/02/19/377550219.db2.gz HNSROANAQVXGQD-LBPRGKRZSA-N 1 2 262.382 2.522 10 0 CFAELO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1ccco1 ZINC000131033557 377649017 /nfs/dbraw/zinc/64/90/17/377649017.db2.gz 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/nfs/dbraw/zinc/87/25/09/380872509.db2.gz VLNSTFJYVZGAEU-UHFFFAOYSA-N 1 2 295.799 2.553 10 0 CFAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1cc(C)cc(C)c1 ZINC000184173212 381380384 /nfs/dbraw/zinc/38/03/84/381380384.db2.gz LIPCEKFHYNIZNR-INIZCTEOSA-N 1 2 290.407 2.743 10 0 CFAELO CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1cc(C)cc(C)c1 ZINC000184173212 381380388 /nfs/dbraw/zinc/38/03/88/381380388.db2.gz LIPCEKFHYNIZNR-INIZCTEOSA-N 1 2 290.407 2.743 10 0 CFAELO COC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301187002 382101207 /nfs/dbraw/zinc/10/12/07/382101207.db2.gz PVQWZSFSXHGFJN-GFCCVEGCSA-N 1 2 292.383 2.551 10 0 CFAELO CNc1nc(N[C@@H]2CCC[C@@H]2C)[nH+]cc1Br ZINC000302503911 382259221 /nfs/dbraw/zinc/25/92/21/382259221.db2.gz DICWWGJRXWCOSQ-IONNQARKSA-N 1 2 285.189 2.881 10 0 CFAELO Cc1cc(NCCCc2cc[nH]n2)nc(-c2ccncc2)[nH+]1 ZINC000302788305 382319219 /nfs/dbraw/zinc/31/92/19/382319219.db2.gz XFLBAJPVFVQMCV-UHFFFAOYSA-N 1 2 294.362 2.615 10 0 CFAELO C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000188861467 382493874 /nfs/dbraw/zinc/49/38/74/382493874.db2.gz BQNKPHGUDOOJSB-IUODEOHRSA-N 1 2 285.347 2.626 10 0 CFAELO O[C@@H](C[N@@H+]1CCCC[C@@H]1c1nccs1)CC(F)(F)F ZINC000188981146 382516609 /nfs/dbraw/zinc/51/66/09/382516609.db2.gz GDRTWLCSQVQQHF-NXEZZACHSA-N 1 2 294.342 2.983 10 0 CFAELO O[C@@H](C[N@H+]1CCCC[C@@H]1c1nccs1)CC(F)(F)F ZINC000188981146 382516613 /nfs/dbraw/zinc/51/66/13/382516613.db2.gz GDRTWLCSQVQQHF-NXEZZACHSA-N 1 2 294.342 2.983 10 0 CFAELO COc1c(C[NH2+]Cc2ccc(Cl)cc2F)c(C)nn1C ZINC000189192311 382562804 /nfs/dbraw/zinc/56/28/04/382562804.db2.gz QVAMXFLCADTMPK-UHFFFAOYSA-N 1 2 297.761 2.819 10 0 CFAELO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000189987959 382648897 /nfs/dbraw/zinc/64/88/97/382648897.db2.gz JRUUNTXPPKPLCC-FFSVYQOJSA-N 1 2 277.364 2.931 10 0 CFAELO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000189987959 382648898 /nfs/dbraw/zinc/64/88/98/382648898.db2.gz JRUUNTXPPKPLCC-FFSVYQOJSA-N 1 2 277.364 2.931 10 0 CFAELO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2nc(C)cc(=O)[nH]2)s1 ZINC000192782412 382712299 /nfs/dbraw/zinc/71/22/99/382712299.db2.gz UNUVNQSXKNBJDI-NXEZZACHSA-N 1 2 278.381 2.667 10 0 CFAELO COC(=O)[C@@H](C)[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000193097792 382715801 /nfs/dbraw/zinc/71/58/01/382715801.db2.gz SCYSLYUWTKKOKG-HONMWMINSA-N 1 2 265.328 2.613 10 0 CFAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1sccc1Cl ZINC000193141396 382716334 /nfs/dbraw/zinc/71/63/34/382716334.db2.gz XFQXUFQYSFHDQU-JTQLQIEISA-N 1 2 282.800 2.926 10 0 CFAELO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cc(Cl)cs1 ZINC000194495298 382746104 /nfs/dbraw/zinc/74/61/04/382746104.db2.gz MWSLLWSKTIHZAJ-LBPRGKRZSA-N 1 2 273.785 2.929 10 0 CFAELO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cc(Cl)cs1 ZINC000194495298 382746105 /nfs/dbraw/zinc/74/61/05/382746105.db2.gz MWSLLWSKTIHZAJ-LBPRGKRZSA-N 1 2 273.785 2.929 10 0 CFAELO Cc1cnn(CCNc2cc(C(F)(F)F)cc[nH+]2)c1 ZINC000226799963 382831368 /nfs/dbraw/zinc/83/13/68/382831368.db2.gz VCTVDLJJCDMKDQ-UHFFFAOYSA-N 1 2 270.258 2.717 10 0 CFAELO c1ccc2[nH]c(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)nc2c1 ZINC000245514273 383003539 /nfs/dbraw/zinc/00/35/39/383003539.db2.gz FRARNPNDFUHZTB-CABCVRRESA-N 1 2 271.364 2.706 10 0 CFAELO c1ccc2[nH]c(C[N@H+]3CCO[C@H]4CCCC[C@H]43)nc2c1 ZINC000245514273 383003545 /nfs/dbraw/zinc/00/35/45/383003545.db2.gz FRARNPNDFUHZTB-CABCVRRESA-N 1 2 271.364 2.706 10 0 CFAELO COCCN1CC[N@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C[C@@H]1C ZINC000245729729 383028467 /nfs/dbraw/zinc/02/84/67/383028467.db2.gz JMOBQDNICGVGAW-IJEWVQPXSA-N 1 2 292.423 2.556 10 0 CFAELO COCCN1CC[N@@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C[C@@H]1C ZINC000245729729 383028469 /nfs/dbraw/zinc/02/84/69/383028469.db2.gz JMOBQDNICGVGAW-IJEWVQPXSA-N 1 2 292.423 2.556 10 0 CFAELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000248542857 383255955 /nfs/dbraw/zinc/25/59/55/383255955.db2.gz CQXYUCHXZQBCFJ-NWDGAFQWSA-N 1 2 271.401 2.606 10 0 CFAELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000248542857 383255959 /nfs/dbraw/zinc/25/59/59/383255959.db2.gz CQXYUCHXZQBCFJ-NWDGAFQWSA-N 1 2 271.401 2.606 10 0 CFAELO CCN(CC)C(=[NH2+])C(C#N)=NNc1ccc(C)cc1 ZINC000254578119 383469180 /nfs/dbraw/zinc/46/91/80/383469180.db2.gz MWAVANUKKAQYMB-UHFFFAOYSA-N 1 2 257.341 2.606 10 0 CFAELO CC(C)n1cc[nH+]c1CS(=O)(=O)c1cccc(F)c1 ZINC000267598855 384422714 /nfs/dbraw/zinc/42/27/14/384422714.db2.gz DAMBPGKAUOTHTG-UHFFFAOYSA-N 1 2 282.340 2.577 10 0 CFAELO CC[C@H]([NH2+][C@@H]1CCCc2cc(OC)ccc21)C(=O)OC ZINC000279912381 384809263 /nfs/dbraw/zinc/80/92/63/384809263.db2.gz VTIYBEYLNULLPN-LSDHHAIUSA-N 1 2 277.364 2.614 10 0 CFAELO Cc1cccc(C)c1C(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000681904620 542495292 /nfs/dbraw/zinc/49/52/92/542495292.db2.gz WBUGXGHEIVNKSG-OAHLLOKOSA-N 1 2 297.402 2.835 10 0 CFAELO CC(=O)c1cccc(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)c1 ZINC000163976913 542593410 /nfs/dbraw/zinc/59/34/10/542593410.db2.gz ZKLLKCILTWEVFL-CYBMUJFWSA-N 1 2 297.358 2.664 10 0 CFAELO CC(=O)c1cccc(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)c1 ZINC000163976913 542593416 /nfs/dbraw/zinc/59/34/16/542593416.db2.gz ZKLLKCILTWEVFL-CYBMUJFWSA-N 1 2 297.358 2.664 10 0 CFAELO Nc1ccc(NC(=O)[C@H]2CCCO[C@H]2c2ccccc2)c[nH+]1 ZINC000238001694 131071780 /nfs/dbraw/zinc/07/17/80/131071780.db2.gz CLPXCTISXFHGPU-HOCLYGCPSA-N 1 2 297.358 2.770 10 0 CFAELO COC(=O)c1cc(C[NH2+][C@H](C)c2ncc(C)o2)cs1 ZINC000411528061 393723067 /nfs/dbraw/zinc/72/30/67/393723067.db2.gz GUESXZBTPUYBQY-SECBINFHSA-N 1 2 280.349 2.682 10 0 CFAELO CCc1ccc([C@@H]2CCCC[N@@H+]2Cc2nncn2C)o1 ZINC000124925782 393999544 /nfs/dbraw/zinc/99/95/44/393999544.db2.gz MXJNZNDNZYTCDE-ZDUSSCGKSA-N 1 2 274.368 2.698 10 0 CFAELO CCc1ccc([C@@H]2CCCC[N@H+]2Cc2nncn2C)o1 ZINC000124925782 393999548 /nfs/dbraw/zinc/99/95/48/393999548.db2.gz MXJNZNDNZYTCDE-ZDUSSCGKSA-N 1 2 274.368 2.698 10 0 CFAELO CC[C@H]1CCCCN1c1[nH+]c(C)ccc1C(N)=S ZINC000043396607 134900335 /nfs/dbraw/zinc/90/03/35/134900335.db2.gz SYPWLTPTWWABNH-NSHDSACASA-N 1 2 263.410 2.793 10 0 CFAELO Fc1ccc(N2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000071711511 134975243 /nfs/dbraw/zinc/97/52/43/134975243.db2.gz ZEGSIDJPCAOYIS-UHFFFAOYSA-N 1 2 275.302 2.686 10 0 CFAELO c1cc(N2CCOCC2)ccc1[NH2+][C@@H]1CCCOCC1 ZINC000086869994 135048596 /nfs/dbraw/zinc/04/85/96/135048596.db2.gz ZCWAHEYZIOKFEV-CQSZACIVSA-N 1 2 276.380 2.504 10 0 CFAELO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CCC3)n2C)o1 ZINC000182603389 543030648 /nfs/dbraw/zinc/03/06/48/543030648.db2.gz OIONPMWDERNBNQ-LLVKDONJSA-N 1 2 274.368 2.835 10 0 CFAELO C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccc2ccccc2c1 ZINC000186747390 543054222 /nfs/dbraw/zinc/05/42/22/543054222.db2.gz WNYFVUGXUAXWIW-CYBMUJFWSA-N 1 2 293.370 2.993 10 0 CFAELO COc1ccc2nc(C[NH2+]Cc3ccccc3)[nH]c2c1 ZINC000043258097 543065213 /nfs/dbraw/zinc/06/52/13/543065213.db2.gz BVOWXKVLMYSRGC-UHFFFAOYSA-N 1 2 267.332 2.861 10 0 CFAELO CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000218200508 397620548 /nfs/dbraw/zinc/62/05/48/397620548.db2.gz PCJWBASCKPHYKQ-GHMZBOCLSA-N 1 2 281.318 2.993 10 0 CFAELO CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000218200508 397620551 /nfs/dbraw/zinc/62/05/51/397620551.db2.gz PCJWBASCKPHYKQ-GHMZBOCLSA-N 1 2 281.318 2.993 10 0 CFAELO CCCCOC(=O)C[NH+]1CCC(c2nccs2)CC1 ZINC000373992234 157056365 /nfs/dbraw/zinc/05/63/65/157056365.db2.gz LIIKFQDZGOUHOH-UHFFFAOYSA-N 1 2 282.409 2.666 10 0 CFAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCCC2(CCCCC2)C1 ZINC000263296656 304413644 /nfs/dbraw/zinc/41/36/44/304413644.db2.gz WLJDUUZOPFBVAK-GFCCVEGCSA-N 1 2 286.366 2.557 10 0 CFAELO CC(C)c1cc(N2C[C@@H](F)C[C@H]2CO)nc(C(C)C)[nH+]1 ZINC000343996581 161911310 /nfs/dbraw/zinc/91/13/10/161911310.db2.gz ZEUAIPPBBWFJEA-RYUDHWBXSA-N 1 2 281.375 2.633 10 0 CFAELO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(F)cc1F ZINC000176683844 287068516 /nfs/dbraw/zinc/06/85/16/287068516.db2.gz LWPMSUMNLBGLEQ-RNCFNFMXSA-N 1 2 278.306 2.742 10 0 CFAELO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2nnc3ccccn32)o1 ZINC000020185364 171048638 /nfs/dbraw/zinc/04/86/38/171048638.db2.gz NAXZORTVXWHOFN-DGCLKSJQSA-N 1 2 282.347 2.736 10 0 CFAELO Cc1c[nH]c(CN(C)Cc2cc(-c3ccc(C)o3)n[nH]2)[nH+]1 ZINC000020785343 171272804 /nfs/dbraw/zinc/27/28/04/171272804.db2.gz SPFVCHLYEKWAGX-UHFFFAOYSA-N 1 2 285.351 2.642 10 0 CFAELO CCOc1ccc(C[NH2+][C@@H](CC(C)C)C(=O)OC)cc1 ZINC000035046101 171949165 /nfs/dbraw/zinc/94/91/65/171949165.db2.gz BVPXDZILXQIMJG-HNNXBMFYSA-N 1 2 279.380 2.763 10 0 CFAELO COC(=O)[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C(C)C ZINC000035185643 172039358 /nfs/dbraw/zinc/03/93/58/172039358.db2.gz RHEOWBRXJBUMHX-CABCVRRESA-N 1 2 261.365 2.851 10 0 CFAELO COC(=O)[C@@H]([NH2+][C@H]1CCCc2ccccc21)C(C)C ZINC000035185644 172039668 /nfs/dbraw/zinc/03/96/68/172039668.db2.gz RHEOWBRXJBUMHX-GJZGRUSLSA-N 1 2 261.365 2.851 10 0 CFAELO CC1(C)CSC(Nc2ccc3c(c2)OCO3)=[NH+]1 ZINC000035287063 172105070 /nfs/dbraw/zinc/10/50/70/172105070.db2.gz HLHORLGXJAOLNR-UHFFFAOYSA-N 1 2 250.323 2.709 10 0 CFAELO Cc1ccc2[nH+]c(CSc3ncccc3N)cn2c1 ZINC000037190639 173019751 /nfs/dbraw/zinc/01/97/51/173019751.db2.gz YXZRNVIHFLTYRJ-UHFFFAOYSA-N 1 2 270.361 2.912 10 0 CFAELO C[C@H](N[C@@H](c1ccco1)c1[nH+]ccn1C)c1ccccn1 ZINC000037218857 173037136 /nfs/dbraw/zinc/03/71/36/173037136.db2.gz GYAMJPLTISEQIF-WFASDCNBSA-N 1 2 282.347 2.848 10 0 CFAELO C[NH+](C)CCCn1c2ccc(C(=O)[O-])cc2[nH+]c1C1CC1 ZINC000037309489 173112646 /nfs/dbraw/zinc/11/26/46/173112646.db2.gz LACUQTRDCDQXAX-UHFFFAOYSA-N 1 2 287.363 2.564 10 0 CFAELO CCCCOC(=O)CNc1ccc([NH+](C)C)cc1 ZINC000037390684 173173545 /nfs/dbraw/zinc/17/35/45/173173545.db2.gz ALPPWNBNTAIQPU-UHFFFAOYSA-N 1 2 250.342 2.508 10 0 CFAELO C[C@@H]1C[N@@H+](Cc2c(N)cccc2Br)C[C@H](C)O1 ZINC000037401762 173178013 /nfs/dbraw/zinc/17/80/13/173178013.db2.gz FMZMSQNREDVFIA-AOOOYVTPSA-N 1 2 299.212 2.641 10 0 CFAELO C[C@@H]1C[N@H+](Cc2c(N)cccc2Br)C[C@H](C)O1 ZINC000037401762 173178014 /nfs/dbraw/zinc/17/80/14/173178014.db2.gz FMZMSQNREDVFIA-AOOOYVTPSA-N 1 2 299.212 2.641 10 0 CFAELO Cc1nccc(CNc2ccc3ccccc3[nH+]2)n1 ZINC000037999331 173961645 /nfs/dbraw/zinc/96/16/45/173961645.db2.gz YLKQKESPNSEXBF-UHFFFAOYSA-N 1 2 250.305 2.945 10 0 CFAELO Cc1nccc(C[NH2+][C@H](C)c2nc3ccccc3n2C)n1 ZINC000038037331 174037738 /nfs/dbraw/zinc/03/77/38/174037738.db2.gz BHIAOOSBOYBAAO-LLVKDONJSA-N 1 2 281.363 2.523 10 0 CFAELO CC[C@@H](C)[NH2+][C@@](C)(C(=O)OC)c1ccc(F)cc1 ZINC000038066596 174077338 /nfs/dbraw/zinc/07/73/38/174077338.db2.gz ZURZSNFUKOFMJV-QMTHXVAHSA-N 1 2 253.317 2.602 10 0 CFAELO CCc1ccc(-c2[nH]c([C@@H]3C[C@@H](OC)C[NH2+]3)nc2C)cc1 ZINC000040637785 174361718 /nfs/dbraw/zinc/36/17/18/174361718.db2.gz JTHRHNWBDBNQOY-CABCVRRESA-N 1 2 285.391 2.997 10 0 CFAELO CCc1ccccc1Nc1ncnc(-n2cc[nH+]c2)c1N ZINC000040688377 174375872 /nfs/dbraw/zinc/37/58/72/174375872.db2.gz XSOIPZZKVCFXCA-UHFFFAOYSA-N 1 2 280.335 2.551 10 0 CFAELO CCOC1CC[NH+](CC(=O)c2ccc(C)cc2)CC1 ZINC000040689727 174376401 /nfs/dbraw/zinc/37/64/01/174376401.db2.gz VDXSHCFIHYDYTR-UHFFFAOYSA-N 1 2 261.365 2.679 10 0 CFAELO Nc1[nH+]cnc(Nc2cc(Cl)ccc2Cl)c1N ZINC000040723880 174386050 /nfs/dbraw/zinc/38/60/50/174386050.db2.gz YPIWSIHPGILXAQ-UHFFFAOYSA-N 1 2 270.123 2.691 10 0 CFAELO Nc1c(Nc2cc(F)ccc2F)nc[nH+]c1N1CCCC1 ZINC000040724542 174386442 /nfs/dbraw/zinc/38/64/42/174386442.db2.gz XBJLPYPNDSTHPB-UHFFFAOYSA-N 1 2 291.305 2.681 10 0 CFAELO CC(C)CCNc1[nH+]cnc(Nc2cccnc2)c1N ZINC000040759802 174396850 /nfs/dbraw/zinc/39/68/50/174396850.db2.gz BIHNNHYLDWXATQ-UHFFFAOYSA-N 1 2 272.356 2.655 10 0 CFAELO Cc1ccc(CNc2[nH+]c(C)ccc2C(N)=S)cc1 ZINC000043396463 175036180 /nfs/dbraw/zinc/03/61/80/175036180.db2.gz SMWPWRKLIITOHW-UHFFFAOYSA-N 1 2 271.389 2.945 10 0 CFAELO Cc1ccc(C(N)=S)c(N(C)[C@H](C)CC(C)C)[nH+]1 ZINC000043396992 175036781 /nfs/dbraw/zinc/03/67/81/175036781.db2.gz GAXGKPHUFSGQDR-LLVKDONJSA-N 1 2 265.426 2.895 10 0 CFAELO COC(=O)[C@H](CC(C)C)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000043435046 175044461 /nfs/dbraw/zinc/04/44/61/175044461.db2.gz XJEVVUKCWYIBHX-UONOGXRCSA-N 1 2 299.798 2.551 10 0 CFAELO CC(C)OC(=O)C[NH2+][C@@H](c1cccs1)C(C)C ZINC000043446533 175048081 /nfs/dbraw/zinc/04/80/81/175048081.db2.gz BWZKVZWSDCZJFH-CYBMUJFWSA-N 1 2 255.383 2.986 10 0 CFAELO CCOC(=O)C[C@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000043617993 175080520 /nfs/dbraw/zinc/08/05/20/175080520.db2.gz LQQOKPSCEASRLQ-NSHDSACASA-N 1 2 250.342 2.506 10 0 CFAELO CCOC(=O)C[C@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000043617993 175080522 /nfs/dbraw/zinc/08/05/22/175080522.db2.gz LQQOKPSCEASRLQ-NSHDSACASA-N 1 2 250.342 2.506 10 0 CFAELO CC[NH2+][C@H]1c2c(c(Cl)ccc2Cl)S(=O)(=O)[C@@H]1C ZINC000043636451 175083229 /nfs/dbraw/zinc/08/32/29/175083229.db2.gz FMONOVFHFQZGOR-LHLIQPBNSA-N 1 2 294.203 2.820 10 0 CFAELO CC[C@@H]1CCCC[C@@H]1[NH2+]c1ccc(N)c(C(N)=O)c1 ZINC000044386349 175170152 /nfs/dbraw/zinc/17/01/52/175170152.db2.gz FFHRYCNCJGIVJO-YGRLFVJLSA-N 1 2 261.369 2.748 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H]2CCC[C@@H](C)C2)c1N ZINC000044590508 175212306 /nfs/dbraw/zinc/21/23/06/175212306.db2.gz XLHMENIUKCIZTM-KOLCDFICSA-N 1 2 265.357 2.702 10 0 CFAELO CCOC(=O)c1[nH+]c(CC)n(CC2CCCCC2)c1N ZINC000044590530 175212590 /nfs/dbraw/zinc/21/25/90/175212590.db2.gz PJQUXHUMXKTTFS-UHFFFAOYSA-N 1 2 279.384 2.785 10 0 CFAELO O=c1nc(C[NH2+][C@@H]2C[C@H]2c2ccccc2)[nH]c2ccsc21 ZINC000044677094 175227602 /nfs/dbraw/zinc/22/76/02/175227602.db2.gz PQPVWDMWCLIPJM-WCQYABFASA-N 1 2 297.383 2.630 10 0 CFAELO Cc1cc(C[NH2+]Cc2ccccc2N2CCCC2)no1 ZINC000044692868 175234060 /nfs/dbraw/zinc/23/40/60/175234060.db2.gz QAJILJGKBWAXAH-UHFFFAOYSA-N 1 2 271.364 2.873 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H](C)c2cc(C)oc2C)c1N ZINC000044731362 175240631 /nfs/dbraw/zinc/24/06/31/175240631.db2.gz NMYPLPLRSHLDTM-VIFPVBQESA-N 1 2 291.351 2.770 10 0 CFAELO Nc1ccc([NH2+]C[C@H]2CCCOC2)c(Br)c1 ZINC000044981756 175283399 /nfs/dbraw/zinc/28/33/99/175283399.db2.gz GIROYJJDUSPOAN-SECBINFHSA-N 1 2 285.185 2.870 10 0 CFAELO CCN(C[C@@](C)([NH2+]C(C)C)C(=O)OC)c1ccccc1C ZINC000045223023 175331484 /nfs/dbraw/zinc/33/14/84/175331484.db2.gz VUASLPMQVTZRBK-QGZVFWFLSA-N 1 2 292.423 2.751 10 0 CFAELO CCCC[NH+](CCCC)C[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045232675 175336103 /nfs/dbraw/zinc/33/61/03/175336103.db2.gz VYHKUEOTBFEEGG-OAHLLOKOSA-N 1 2 272.433 2.730 10 0 CFAELO CCN(C[C@](C)([NH2+]C(C)C)C(=O)OC)c1cccc(C)c1 ZINC000045273187 175344005 /nfs/dbraw/zinc/34/40/05/175344005.db2.gz SCJYNHBDFDOQSM-KRWDZBQOSA-N 1 2 292.423 2.751 10 0 CFAELO CCCCC[N@H+](C[C@@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045278539 175348717 /nfs/dbraw/zinc/34/87/17/175348717.db2.gz VNILSTUTBUWKAK-OAHLLOKOSA-N 1 2 272.433 2.728 10 0 CFAELO CCCCC[N@@H+](C[C@@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045278539 175348718 /nfs/dbraw/zinc/34/87/18/175348718.db2.gz VNILSTUTBUWKAK-OAHLLOKOSA-N 1 2 272.433 2.728 10 0 CFAELO CCC[NH2+][C@](C)(C[N@H+](C)C1CCC(CC)CC1)C(=O)[O-] ZINC000045281079 175352014 /nfs/dbraw/zinc/35/20/14/175352014.db2.gz ORPXAKGBVKBYGW-ZBCRRDGASA-N 1 2 284.444 2.730 10 0 CFAELO CCC[NH2+][C@](C)(C[N@@H+](C)C1CCC(CC)CC1)C(=O)[O-] ZINC000045281079 175352016 /nfs/dbraw/zinc/35/20/16/175352016.db2.gz ORPXAKGBVKBYGW-ZBCRRDGASA-N 1 2 284.444 2.730 10 0 CFAELO CCN(C(C)=O)c1nc(CNc2c[nH+]ccc2C)cs1 ZINC000071413695 176159288 /nfs/dbraw/zinc/15/92/88/176159288.db2.gz JOXBPNKXPWPYBE-UHFFFAOYSA-N 1 2 290.392 2.831 10 0 CFAELO CNc1[nH+]cccc1CN1CC[C@H](C(C)C)CCC1=O ZINC000079249573 177456659 /nfs/dbraw/zinc/45/66/59/177456659.db2.gz DJMSMAYPYJSHGV-CYBMUJFWSA-N 1 2 275.396 2.908 10 0 CFAELO COC(=O)[C@H]1CCC[N@@H+]1C/C=C/c1ccc(Cl)cc1 ZINC000179898024 260079365 /nfs/dbraw/zinc/07/93/65/260079365.db2.gz QJCXOAJAYJGUIG-KWEXDPCDSA-N 1 2 279.767 2.991 10 0 CFAELO COC(=O)[C@H]1CCC[N@H+]1C/C=C/c1ccc(Cl)cc1 ZINC000179898024 260079366 /nfs/dbraw/zinc/07/93/66/260079366.db2.gz QJCXOAJAYJGUIG-KWEXDPCDSA-N 1 2 279.767 2.991 10 0 CFAELO Cn1ncnc1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000088058527 260253295 /nfs/dbraw/zinc/25/32/95/260253295.db2.gz RHHWFIYPSQBKGF-UHFFFAOYSA-N 1 2 278.359 2.694 10 0 CFAELO CCc1ccc([C@@H](C)[NH2+][C@@H](C(=O)OC)C2CC2)cc1 ZINC000227767410 270257612 /nfs/dbraw/zinc/25/76/12/270257612.db2.gz WQCMQQIOASJCAD-IAQYHMDHSA-N 1 2 261.365 2.851 10 0 CFAELO CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000096593383 265376857 /nfs/dbraw/zinc/37/68/57/265376857.db2.gz LDTSBFQYCLSPNV-WDEREUQCSA-N 1 2 281.318 2.993 10 0 CFAELO CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000096593383 265376861 /nfs/dbraw/zinc/37/68/61/265376861.db2.gz LDTSBFQYCLSPNV-WDEREUQCSA-N 1 2 281.318 2.993 10 0 CFAELO CNc1nc(N2CCC(C)CC2)[nH+]cc1Br ZINC000302138482 277045824 /nfs/dbraw/zinc/04/58/24/277045824.db2.gz IOEVDXWDAJKXAC-UHFFFAOYSA-N 1 2 285.189 2.517 10 0 CFAELO C[C@H]1C[C@H](C(=O)NCCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000182892011 279983076 /nfs/dbraw/zinc/98/30/76/279983076.db2.gz NERSFQODTUYLIQ-KBPBESRZSA-N 1 2 277.412 2.852 10 0 CFAELO C[C@H]1C[C@H]1Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000052291982 280021247 /nfs/dbraw/zinc/02/12/47/280021247.db2.gz FADDMDUCESPHPL-GXFFZTMASA-N 1 2 265.320 2.636 10 0 CFAELO Cc1cc(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)cc[nH+]1 ZINC000079718567 280536512 /nfs/dbraw/zinc/53/65/12/280536512.db2.gz XORGJSQQQMOQLW-OAHLLOKOSA-N 1 2 291.395 2.515 10 0 CFAELO C[C@H]1CC[C@H](C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)O1 ZINC000190607884 324042015 /nfs/dbraw/zinc/04/20/15/324042015.db2.gz KQUVMFQZUJZQRC-WCQYABFASA-N 1 2 291.395 2.873 10 0 CFAELO C[C@H]1CC[C@@H](C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)O1 ZINC000190607910 324042144 /nfs/dbraw/zinc/04/21/44/324042144.db2.gz KQUVMFQZUJZQRC-AAEUAGOBSA-N 1 2 291.395 2.873 10 0 CFAELO CC[N@H+](Cc1nnc(C2CC2)n1C)Cc1ccccc1 ZINC000195010556 324099780 /nfs/dbraw/zinc/09/97/80/324099780.db2.gz VZTWKXKPJKYBPH-UHFFFAOYSA-N 1 2 270.380 2.715 10 0 CFAELO CC[N@@H+](Cc1nnc(C2CC2)n1C)Cc1ccccc1 ZINC000195010556 324099784 /nfs/dbraw/zinc/09/97/84/324099784.db2.gz VZTWKXKPJKYBPH-UHFFFAOYSA-N 1 2 270.380 2.715 10 0 CFAELO CCn1c(C)nnc1C[N@H+](C)Cc1ccc(C)cc1 ZINC000195016918 324100176 /nfs/dbraw/zinc/10/01/76/324100176.db2.gz YWFXEIVGCZMTFA-UHFFFAOYSA-N 1 2 258.369 2.547 10 0 CFAELO CCn1c(C)nnc1C[N@@H+](C)Cc1ccc(C)cc1 ZINC000195016918 324100179 /nfs/dbraw/zinc/10/01/79/324100179.db2.gz YWFXEIVGCZMTFA-UHFFFAOYSA-N 1 2 258.369 2.547 10 0 CFAELO COC(=O)[C@H]1C[C@@H](Oc2ccc(C(C)C)cc2Cl)C[NH2+]1 ZINC000098089370 328701554 /nfs/dbraw/zinc/70/15/54/328701554.db2.gz GANUGZJIPCESOX-DGCLKSJQSA-N 1 2 297.782 2.746 10 0 CFAELO COC(=O)[C@H]1C[C@H](Oc2ccc(C(C)(C)C)cc2C)C[NH2+]1 ZINC000098089353 328701617 /nfs/dbraw/zinc/70/16/17/328701617.db2.gz BGCPRJCXIYSRGV-UONOGXRCSA-N 1 2 291.391 2.575 10 0 CFAELO CCOC(=O)[C@@](C)(COc1ccccc1F)[NH2+]C(C)C ZINC000045514663 521148102 /nfs/dbraw/zinc/14/81/02/521148102.db2.gz DBWWWSSCNZBVMA-OAHLLOKOSA-N 1 2 283.343 2.524 10 0 CFAELO CCC(CC)CN(CC)c1cc[nH+]c(C(N)=S)c1 ZINC000061812815 521523878 /nfs/dbraw/zinc/52/38/78/521523878.db2.gz JEMKTSMGMUBDKB-UHFFFAOYSA-N 1 2 265.426 2.978 10 0 CFAELO CC(=O)c1ccc(N2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000061693864 518349099 /nfs/dbraw/zinc/34/90/99/518349099.db2.gz USLDLXBUXYIJOP-UHFFFAOYSA-N 1 2 278.783 2.827 10 0 CFAELO CC(=O)c1ccc(Sc2nc(N)cc(N)[nH+]2)c(Cl)c1 ZINC000061696879 518410589 /nfs/dbraw/zinc/41/05/89/518410589.db2.gz LIPDIBBHMHDEOB-UHFFFAOYSA-N 1 2 294.767 2.648 10 0 CFAELO CC(C)CCc1noc([C@@](C)([NH3+])c2ccccc2)n1 ZINC000052879469 519699944 /nfs/dbraw/zinc/69/99/44/519699944.db2.gz UOZBSPRWXGPRJU-HNNXBMFYSA-N 1 2 259.353 2.880 10 0 CFAELO CCC[NH2+]Cc1nc2c([nH]1)-c1ccc(OC)cc1CC2 ZINC000069236404 519968727 /nfs/dbraw/zinc/96/87/27/519968727.db2.gz YMVPKGKQGOIPGD-UHFFFAOYSA-N 1 2 271.364 2.684 10 0 CFAELO CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1ccccc1 ZINC000195519946 520034314 /nfs/dbraw/zinc/03/43/14/520034314.db2.gz NTEHZSXOCBOQFV-UHFFFAOYSA-N 1 2 278.377 2.579 10 0 CFAELO CC[NH2+][C@@H](c1nnc([C@@H]2C[C@@H]2C)o1)c1ccccc1 ZINC000050618093 520114634 /nfs/dbraw/zinc/11/46/34/520114634.db2.gz BMTIWJFAXJRRKN-CYZMBNFOSA-N 1 2 257.337 2.892 10 0 CFAELO CCCCCC[C@H](C)OCC[C@@H]([NH2+]CC)C(=O)OC ZINC000062542694 520132512 /nfs/dbraw/zinc/13/25/12/520132512.db2.gz RXQQNEKWAYPPIR-UONOGXRCSA-N 1 2 273.417 2.903 10 0 CFAELO CCCNc1cc(C)[nH+]c(-c2ccc(O)c(OC)c2)n1 ZINC000050864698 520134807 /nfs/dbraw/zinc/13/48/07/520134807.db2.gz BBMRWJWFKXNDLM-UHFFFAOYSA-N 1 2 273.336 2.988 10 0 CFAELO CCCNc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000050813667 520156658 /nfs/dbraw/zinc/15/66/58/520156658.db2.gz BSMZUUXYMAKYGE-STQMWFEESA-N 1 2 263.385 2.513 10 0 CFAELO CCCNc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000050813667 520156666 /nfs/dbraw/zinc/15/66/66/520156666.db2.gz BSMZUUXYMAKYGE-STQMWFEESA-N 1 2 263.385 2.513 10 0 CFAELO CCCNc1ccc(C[N@@H+]2CCO[C@H](CC)C2)cn1 ZINC000050813715 520157784 /nfs/dbraw/zinc/15/77/84/520157784.db2.gz ISZAIEOSWDRALO-CQSZACIVSA-N 1 2 263.385 2.514 10 0 CFAELO CCCNc1ccc(C[N@H+]2CCO[C@H](CC)C2)cn1 ZINC000050813715 520157792 /nfs/dbraw/zinc/15/77/92/520157792.db2.gz ISZAIEOSWDRALO-CQSZACIVSA-N 1 2 263.385 2.514 10 0 CFAELO CCCNc1[nH+]cccc1COC1CCOCC1 ZINC000052755672 520196633 /nfs/dbraw/zinc/19/66/33/520196633.db2.gz 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/nfs/dbraw/zinc/48/58/99/527485899.db2.gz PAZUPRXHJNGKDE-UHFFFAOYSA-N 1 2 273.767 2.876 10 0 CFAELO Nc1ccc(NC(=O)CCCc2ccccc2)c[nH+]1 ZINC000061680588 527492389 /nfs/dbraw/zinc/49/23/89/527492389.db2.gz QLMUPHOKYMAEBB-UHFFFAOYSA-N 1 2 255.321 2.625 10 0 CFAELO Nc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)c[nH+]1 ZINC000061680225 527492455 /nfs/dbraw/zinc/49/24/55/527492455.db2.gz ANQXXKLKLOHDFJ-UHFFFAOYSA-N 1 2 295.264 2.864 10 0 CFAELO Nc1ccc2[nH+]c(-c3ccc4c(c3)OCCCO4)cn2c1 ZINC000069370046 527509510 /nfs/dbraw/zinc/50/95/10/527509510.db2.gz OGUBOYPFHOFULT-UHFFFAOYSA-N 1 2 281.315 2.745 10 0 CFAELO CCCNc1cc(N[C@@H](C)c2ncc(C)o2)nc[nH+]1 ZINC000231761356 623367451 /nfs/dbraw/zinc/36/74/51/623367451.db2.gz PNDKLJXOENZEPK-JTQLQIEISA-N 1 2 261.329 2.768 10 0 CFAELO CCCNc1cc(N[C@@H](C)c2ncc(C)o2)[nH+]cn1 ZINC000231761356 623367458 /nfs/dbraw/zinc/36/74/58/623367458.db2.gz PNDKLJXOENZEPK-JTQLQIEISA-N 1 2 261.329 2.768 10 0 CFAELO Cc1nc(C[NH2+][C@H]2COc3ccccc32)sc1C ZINC000094966043 650966616 /nfs/dbraw/zinc/96/66/16/650966616.db2.gz ZKGDEOFCIXKHDJ-LBPRGKRZSA-N 1 2 260.362 2.983 10 0 CFAELO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2cc(F)cc(F)c2)C1 ZINC000095642323 185017269 /nfs/dbraw/zinc/01/72/69/185017269.db2.gz PMCOHINFZQLKMH-ZDUSSCGKSA-N 1 2 298.333 2.846 10 0 CFAELO Cc1cc(-c2cnn(-c3ccccc3)c2)c[nH+]c1N ZINC000082730070 178247441 /nfs/dbraw/zinc/24/74/41/178247441.db2.gz QNCWBUQEEGZMBB-UHFFFAOYSA-N 1 2 250.305 2.825 10 0 CFAELO Cn1cc[nH+]c1-c1cc(F)cc(Br)c1 ZINC000082739581 178262133 /nfs/dbraw/zinc/26/21/33/178262133.db2.gz YHCQHZGVVYTVOL-UHFFFAOYSA-N 1 2 255.090 2.989 10 0 CFAELO Brc1cccc(C[NH2+]Cc2ccco2)n1 ZINC000083493859 178518111 /nfs/dbraw/zinc/51/81/11/178518111.db2.gz WQZVWCRGRRNLQE-UHFFFAOYSA-N 1 2 267.126 2.727 10 0 CFAELO CCC[C@H](C)CNC(=O)OCCCc1c[nH+]c[nH]1 ZINC000013793902 346232885 /nfs/dbraw/zinc/23/28/85/346232885.db2.gz LPIYSDRZAIUAIP-NSHDSACASA-N 1 2 253.346 2.505 10 0 CFAELO CCC[C@H](C)CNC(=O)OCCCc1c[nH]c[nH+]1 ZINC000013793902 346232888 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CCCCCN1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000117880120 376263748 /nfs/dbraw/zinc/26/37/48/376263748.db2.gz NVICASWMKSGRLT-OAHLLOKOSA-N 1 2 256.434 2.609 10 0 CFAELO COCCCC[N@@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000117876311 376265273 /nfs/dbraw/zinc/26/52/73/376265273.db2.gz HXBFOHFLQSUMLQ-LBPRGKRZSA-N 1 2 267.373 2.757 10 0 CFAELO COCCCC[N@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000117876311 376265279 /nfs/dbraw/zinc/26/52/79/376265279.db2.gz HXBFOHFLQSUMLQ-LBPRGKRZSA-N 1 2 267.373 2.757 10 0 CFAELO C[C@@H]1COC[C@H](C)N1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000120779268 376691864 /nfs/dbraw/zinc/69/18/64/376691864.db2.gz HFWPZTZWCPVQOU-PHIMTYICSA-N 1 2 279.771 2.597 10 0 CFAELO CCn1cc[nH+]c1CNc1cc(Cl)ccc1C(=O)NC ZINC000124167317 377022180 /nfs/dbraw/zinc/02/21/80/377022180.db2.gz WFFDNWICQVIKHG-UHFFFAOYSA-N 1 2 292.770 2.528 10 0 CFAELO Cc1cc[nH+]cc1N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000129525725 377439010 /nfs/dbraw/zinc/43/90/10/377439010.db2.gz MPFURAWHVHLFNL-LBPRGKRZSA-N 1 2 277.368 2.811 10 0 CFAELO Cc1ncccc1C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000131538426 377723945 /nfs/dbraw/zinc/72/39/45/377723945.db2.gz GNTSDVZNPRLULX-GFCCVEGCSA-N 1 2 264.369 2.552 10 0 CFAELO Cc1ncccc1C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000131538426 377723953 /nfs/dbraw/zinc/72/39/53/377723953.db2.gz GNTSDVZNPRLULX-GFCCVEGCSA-N 1 2 264.369 2.552 10 0 CFAELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3[nH]2)cn1 ZINC000131931266 377779686 /nfs/dbraw/zinc/77/96/86/377779686.db2.gz VTXXUNAGNBJFKE-HNNXBMFYSA-N 1 2 281.363 2.634 10 0 CFAELO Cn1cc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3[nH]2)cn1 ZINC000131931266 377779695 /nfs/dbraw/zinc/77/96/95/377779695.db2.gz VTXXUNAGNBJFKE-HNNXBMFYSA-N 1 2 281.363 2.634 10 0 CFAELO Cc1cc(NCCOCC(C)C)nc(C(C)C)[nH+]1 ZINC000132305669 377824988 /nfs/dbraw/zinc/82/49/88/377824988.db2.gz PWZLIXPPMKVBLZ-UHFFFAOYSA-N 1 2 251.374 2.993 10 0 CFAELO CCC[C@@H]([NH2+][C@@H]1CCSC1)C(=O)OC(C)(C)C ZINC000154865487 378598016 /nfs/dbraw/zinc/59/80/16/378598016.db2.gz VREAYAFJGJWLCJ-GHMZBOCLSA-N 1 2 259.415 2.592 10 0 CFAELO Cc1ccc(C[N@@H+](C)Cc2nnc(C(C)C)n2C)s1 ZINC000171159478 379247953 /nfs/dbraw/zinc/24/79/53/379247953.db2.gz YVUTYSHFORYANP-UHFFFAOYSA-N 1 2 278.425 2.940 10 0 CFAELO Cc1ccc(C[N@H+](C)Cc2nnc(C(C)C)n2C)s1 ZINC000171159478 379247960 /nfs/dbraw/zinc/24/79/60/379247960.db2.gz YVUTYSHFORYANP-UHFFFAOYSA-N 1 2 278.425 2.940 10 0 CFAELO C[C@H]1C[N@H+](Cc2nc(-c3ccsc3)no2)CCS1 ZINC000171696778 379374752 /nfs/dbraw/zinc/37/47/52/379374752.db2.gz UPKSUSXOJNLUFS-VIFPVBQESA-N 1 2 281.406 2.735 10 0 CFAELO C[C@H]1C[N@@H+](Cc2nc(-c3ccsc3)no2)CCS1 ZINC000171696778 379374761 /nfs/dbraw/zinc/37/47/61/379374761.db2.gz UPKSUSXOJNLUFS-VIFPVBQESA-N 1 2 281.406 2.735 10 0 CFAELO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCS[C@@H](C)C1 ZINC000171696917 379375623 /nfs/dbraw/zinc/37/56/23/379375623.db2.gz IEVJZHDLMJNYAL-QWRGUYRKSA-N 1 2 282.384 2.590 10 0 CFAELO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCS[C@@H](C)C1 ZINC000171696917 379375631 /nfs/dbraw/zinc/37/56/31/379375631.db2.gz IEVJZHDLMJNYAL-QWRGUYRKSA-N 1 2 282.384 2.590 10 0 CFAELO Cc1cc(C)cc(NC(=O)C[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000171702727 379379616 /nfs/dbraw/zinc/37/96/16/379379616.db2.gz DUCRRBPMGSDGOG-ZDUSSCGKSA-N 1 2 278.421 2.679 10 0 CFAELO Cc1cc(C)cc(NC(=O)C[N@H+]2CCS[C@@H](C)C2)c1 ZINC000171702727 379379630 /nfs/dbraw/zinc/37/96/30/379379630.db2.gz DUCRRBPMGSDGOG-ZDUSSCGKSA-N 1 2 278.421 2.679 10 0 CFAELO CCn1c(C)nnc1C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000175131445 380003794 /nfs/dbraw/zinc/00/37/94/380003794.db2.gz DUKLKSWEKYJRQQ-HNNXBMFYSA-N 1 2 287.411 2.672 10 0 CFAELO CCn1c(C)nnc1C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000175131445 380003797 /nfs/dbraw/zinc/00/37/97/380003797.db2.gz DUKLKSWEKYJRQQ-HNNXBMFYSA-N 1 2 287.411 2.672 10 0 CFAELO Brc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)nc1 ZINC000335971088 380178894 /nfs/dbraw/zinc/17/88/94/380178894.db2.gz RWUTUHXTCFNUCE-JOYOIKCWSA-N 1 2 267.170 2.828 10 0 CFAELO Brc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]32)nc1 ZINC000335971088 380178900 /nfs/dbraw/zinc/17/89/00/380178900.db2.gz RWUTUHXTCFNUCE-JOYOIKCWSA-N 1 2 267.170 2.828 10 0 CFAELO Cc1cc[nH+]cc1N[C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287866506 380961465 /nfs/dbraw/zinc/96/14/65/380961465.db2.gz XRQQTHPZBFQWME-MWLCHTKSSA-N 1 2 260.259 2.912 10 0 CFAELO CCc1ccc([C@H](C)NC(=O)NCCn2cc[nH+]c2)cc1 ZINC000049787166 412950571 /nfs/dbraw/zinc/95/05/71/412950571.db2.gz PNLQOAFKEADBLD-ZDUSSCGKSA-N 1 2 286.379 2.506 10 0 CFAELO CC[C@@H](C)C[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000185756483 381725019 /nfs/dbraw/zinc/72/50/19/381725019.db2.gz ZSFALVFJMHNGBD-GFCCVEGCSA-N 1 2 274.368 2.519 10 0 CFAELO COC(=O)[C@@]1(C)CCC[N@@H+]1CCOc1ccccc1Cl ZINC000186386747 381897853 /nfs/dbraw/zinc/89/78/53/381897853.db2.gz LHZDSRCQXSDNJF-OAHLLOKOSA-N 1 2 297.782 2.746 10 0 CFAELO COC(=O)[C@@]1(C)CCC[N@H+]1CCOc1ccccc1Cl ZINC000186386747 381897855 /nfs/dbraw/zinc/89/78/55/381897855.db2.gz LHZDSRCQXSDNJF-OAHLLOKOSA-N 1 2 297.782 2.746 10 0 CFAELO Cc1nnc(C[NH2+][C@@H](C)c2ccccc2Br)[nH]1 ZINC000293032493 381959220 /nfs/dbraw/zinc/95/92/20/381959220.db2.gz DFFOQRSYFIGCMZ-QMMMGPOBSA-N 1 2 295.184 2.726 10 0 CFAELO Cc1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)c(C)n1 ZINC000187014993 382077818 /nfs/dbraw/zinc/07/78/18/382077818.db2.gz FJTDWXIZWVCRRZ-AWEZNQCLSA-N 1 2 289.404 2.728 10 0 CFAELO Cc1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)c(C)n1 ZINC000187014993 382077823 /nfs/dbraw/zinc/07/78/23/382077823.db2.gz FJTDWXIZWVCRRZ-AWEZNQCLSA-N 1 2 289.404 2.728 10 0 CFAELO CCC[C@H]1C[C@@H]1Nc1nc(NC)c(Br)c[nH+]1 ZINC000302554377 382266480 /nfs/dbraw/zinc/26/64/80/382266480.db2.gz RGCYEYALXUEYJG-CBAPKCEASA-N 1 2 285.189 2.881 10 0 CFAELO CCc1ccc([C@@H](C)NC(=O)CCc2c[nH+]cn2C)cc1 ZINC000188443512 382415281 /nfs/dbraw/zinc/41/52/81/382415281.db2.gz RHOJZCROZCYYOM-CYBMUJFWSA-N 1 2 285.391 2.793 10 0 CFAELO CCOC(=O)C[N@H+](C[C@@H]1CCCCC1(F)F)C1CC1 ZINC000381661941 382523102 /nfs/dbraw/zinc/52/31/02/382523102.db2.gz JVHXIBIMRNDRID-NSHDSACASA-N 1 2 275.339 2.839 10 0 CFAELO CCOC(=O)C[N@@H+](C[C@@H]1CCCCC1(F)F)C1CC1 ZINC000381661941 382523108 /nfs/dbraw/zinc/52/31/08/382523108.db2.gz JVHXIBIMRNDRID-NSHDSACASA-N 1 2 275.339 2.839 10 0 CFAELO Cc1ccc(C(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000328617650 382554705 /nfs/dbraw/zinc/55/47/05/382554705.db2.gz CYWWYHRSRIKINP-HNNXBMFYSA-N 1 2 297.402 2.835 10 0 CFAELO CCc1ccc(C(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000328619335 382556401 /nfs/dbraw/zinc/55/64/01/382556401.db2.gz FTDRGWRPZVDEDI-OAHLLOKOSA-N 1 2 297.402 2.780 10 0 CFAELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000189992738 382648918 /nfs/dbraw/zinc/64/89/18/382648918.db2.gz UKSQJHMYRFDJBN-OAHLLOKOSA-N 1 2 296.436 2.968 10 0 CFAELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000189992738 382648919 /nfs/dbraw/zinc/64/89/19/382648919.db2.gz UKSQJHMYRFDJBN-OAHLLOKOSA-N 1 2 296.436 2.968 10 0 CFAELO CCc1ccc([C@H](C)[NH2+]Cc2nc(N(C)C)no2)cc1 ZINC000192777594 382712066 /nfs/dbraw/zinc/71/20/66/382712066.db2.gz ZYPGUYRMEVXDHV-NSHDSACASA-N 1 2 274.368 2.549 10 0 CFAELO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 ZINC000232398296 382868682 /nfs/dbraw/zinc/86/86/82/382868682.db2.gz HOEAACPCJHAPJL-RQJHMYQMSA-N 1 2 289.162 2.765 10 0 CFAELO Nc1[nH+]cnc(NCCCCC(F)(F)F)c1Cl ZINC000236360964 382893837 /nfs/dbraw/zinc/89/38/37/382893837.db2.gz WTWJGVXDCLQZIG-UHFFFAOYSA-N 1 2 268.670 2.857 10 0 CFAELO Nc1nc[nH+]c(NCCCCC(F)(F)F)c1Cl ZINC000236360964 382893841 /nfs/dbraw/zinc/89/38/41/382893841.db2.gz WTWJGVXDCLQZIG-UHFFFAOYSA-N 1 2 268.670 2.857 10 0 CFAELO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCS[C@H](C)C1 ZINC000246728693 383096928 /nfs/dbraw/zinc/09/69/28/383096928.db2.gz LCARQLDNRNHDCE-GHMZBOCLSA-N 1 2 290.392 2.630 10 0 CFAELO C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCS[C@H](C)C1 ZINC000246728693 383096931 /nfs/dbraw/zinc/09/69/31/383096931.db2.gz LCARQLDNRNHDCE-GHMZBOCLSA-N 1 2 290.392 2.630 10 0 CFAELO COc1cccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1F ZINC000249462376 383346619 /nfs/dbraw/zinc/34/66/19/383346619.db2.gz ZTRPRDQXJWABGL-KGLIPLIRSA-N 1 2 279.355 2.978 10 0 CFAELO COc1cccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c1F ZINC000249462376 383346626 /nfs/dbraw/zinc/34/66/26/383346626.db2.gz ZTRPRDQXJWABGL-KGLIPLIRSA-N 1 2 279.355 2.978 10 0 CFAELO Cn1c2ccccc2nc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249877461 383365842 /nfs/dbraw/zinc/36/58/42/383365842.db2.gz MHEIDZUQUUMBOR-CVEARBPZSA-N 1 2 285.391 2.717 10 0 CFAELO Cn1c2ccccc2nc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249877461 383365847 /nfs/dbraw/zinc/36/58/47/383365847.db2.gz MHEIDZUQUUMBOR-CVEARBPZSA-N 1 2 285.391 2.717 10 0 CFAELO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCS[C@@H](C)C1 ZINC000253540516 383461860 /nfs/dbraw/zinc/46/18/60/383461860.db2.gz CWVAIDQEOQSUCT-WDEREUQCSA-N 1 2 289.404 2.834 10 0 CFAELO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCS[C@@H](C)C1 ZINC000253540516 383461863 /nfs/dbraw/zinc/46/18/63/383461863.db2.gz CWVAIDQEOQSUCT-WDEREUQCSA-N 1 2 289.404 2.834 10 0 CFAELO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1C/C=C\c1ccncc1 ZINC000428151822 383421246 /nfs/dbraw/zinc/42/12/46/383421246.db2.gz NFOSRZCPHLVBBL-MJSXRHKHSA-N 1 2 298.390 2.508 10 0 CFAELO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1C/C=C\c1ccncc1 ZINC000428151822 383421249 /nfs/dbraw/zinc/42/12/49/383421249.db2.gz NFOSRZCPHLVBBL-MJSXRHKHSA-N 1 2 298.390 2.508 10 0 CFAELO CCC(=O)N1CC[C@@H](c2[nH+]cc(C)n2Cc2ccccc2)C1 ZINC000257178344 383489740 /nfs/dbraw/zinc/48/97/40/383489740.db2.gz BQPVHBLTNGYBDK-MRXNPFEDSA-N 1 2 297.402 2.966 10 0 CFAELO Cc1nc2c(c(N3CCC[C@@H]3Cn3cc[nH+]c3)n1)CCCC2 ZINC000272802013 385618821 /nfs/dbraw/zinc/61/88/21/385618821.db2.gz AULTUWGXOLYEOZ-CQSZACIVSA-N 1 2 297.406 2.529 10 0 CFAELO CCOc1ccccc1[C@@H](C)[NH2+]Cc1nnc(CC)[nH]1 ZINC000274676865 385847625 /nfs/dbraw/zinc/84/76/25/385847625.db2.gz VEFMVRNOVYQADK-LLVKDONJSA-N 1 2 274.368 2.617 10 0 CFAELO CC(=O)c1cccc(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)c1 ZINC000163977011 542593304 /nfs/dbraw/zinc/59/33/04/542593304.db2.gz ZKLLKCILTWEVFL-ZDUSSCGKSA-N 1 2 297.358 2.664 10 0 CFAELO CC(=O)c1cccc(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)c1 ZINC000163977011 542593309 /nfs/dbraw/zinc/59/33/09/542593309.db2.gz ZKLLKCILTWEVFL-ZDUSSCGKSA-N 1 2 297.358 2.664 10 0 CFAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3c(=O)n2C)o1 ZINC000192532745 130464999 /nfs/dbraw/zinc/46/49/99/130464999.db2.gz KVUKLODSZKVYFH-GFCCVEGCSA-N 1 2 297.358 2.686 10 0 CFAELO CC(=O)c1c(Cl)cccc1N1CCn2cc[nH+]c2C1 ZINC000388369727 393591822 /nfs/dbraw/zinc/59/18/22/393591822.db2.gz PFDROKFKVMFEHF-UHFFFAOYSA-N 1 2 275.739 2.759 10 0 CFAELO CCO[C@H](C)c1noc(CSCc2[nH+]ccn2CC)n1 ZINC000083633784 393744708 /nfs/dbraw/zinc/74/47/08/393744708.db2.gz DOIBLIYMZWRTGZ-SNVBAGLBSA-N 1 2 296.396 2.817 10 0 CFAELO COC(=O)c1sccc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000088499384 393762503 /nfs/dbraw/zinc/76/25/03/393762503.db2.gz POMRUENNOUCFEC-QWHCGFSZSA-N 1 2 295.404 2.678 10 0 CFAELO COC(=O)c1sccc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000088499384 393762510 /nfs/dbraw/zinc/76/25/10/393762510.db2.gz POMRUENNOUCFEC-QWHCGFSZSA-N 1 2 295.404 2.678 10 0 CFAELO COC(=O)c1cc(C[NH2+][C@@H](C)c2ncc(C)o2)cs1 ZINC000411528063 393723036 /nfs/dbraw/zinc/72/30/36/393723036.db2.gz GUESXZBTPUYBQY-VIFPVBQESA-N 1 2 280.349 2.682 10 0 CFAELO Cn1c(C[N@H+](Cc2ccccc2)C2CC2)nnc1C1CC1 ZINC000195053601 393729781 /nfs/dbraw/zinc/72/97/81/393729781.db2.gz GVCRCHMBZYHSSR-UHFFFAOYSA-N 1 2 282.391 2.857 10 0 CFAELO Cn1c(C[N@@H+](Cc2ccccc2)C2CC2)nnc1C1CC1 ZINC000195053601 393729785 /nfs/dbraw/zinc/72/97/85/393729785.db2.gz GVCRCHMBZYHSSR-UHFFFAOYSA-N 1 2 282.391 2.857 10 0 CFAELO CCc1ccc(CNc2nc[nH+]c(N)c2Cl)cc1 ZINC000234181968 393782275 /nfs/dbraw/zinc/78/22/75/393782275.db2.gz DYIXOCVMLZUEAA-UHFFFAOYSA-N 1 2 262.744 2.887 10 0 CFAELO CCc1ccc(CNc2[nH+]cnc(N)c2Cl)cc1 ZINC000234181968 393782277 /nfs/dbraw/zinc/78/22/77/393782277.db2.gz DYIXOCVMLZUEAA-UHFFFAOYSA-N 1 2 262.744 2.887 10 0 CFAELO Cn1ncnc1C[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000178156842 543001401 /nfs/dbraw/zinc/00/14/01/543001401.db2.gz MMUGGAUREVVCRT-AWEZNQCLSA-N 1 2 298.390 2.741 10 0 CFAELO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000164708096 286294392 /nfs/dbraw/zinc/29/43/92/286294392.db2.gz FFVACKVMIYWULQ-TZMCWYRMSA-N 1 2 286.379 2.781 10 0 CFAELO COc1cncc(C[NH2+][C@@H](C)c2csc(C)n2)c1 ZINC000343701436 161841244 /nfs/dbraw/zinc/84/12/44/161841244.db2.gz XJYGURKFQGAWIK-VIFPVBQESA-N 1 2 263.366 2.706 10 0 CFAELO C[C@@H]1CC(CC[NH+]2CCS(=O)CC2)C[C@@H](C)C1 ZINC000089124736 287220414 /nfs/dbraw/zinc/22/04/14/287220414.db2.gz XRPCWDLUXNSUHC-STQMWFEESA-N 1 2 257.443 2.513 10 0 CFAELO C[C@@H]1Cn2c(=O)[nH]c3cccc(c32)C[N@@H+]1Cc1ccco1 ZINC000006488737 170205248 /nfs/dbraw/zinc/20/52/48/170205248.db2.gz RQVOKTDBDMNGCN-LLVKDONJSA-N 1 2 283.331 2.739 10 0 CFAELO C[C@@H]1Cn2c(=O)[nH]c3cccc(c32)C[N@H+]1Cc1ccco1 ZINC000006488737 170205249 /nfs/dbraw/zinc/20/52/49/170205249.db2.gz RQVOKTDBDMNGCN-LLVKDONJSA-N 1 2 283.331 2.739 10 0 CFAELO [NH3+][C@H](c1nnc(Cc2ccc(F)cc2)o1)c1ccccc1 ZINC000011586865 170422682 /nfs/dbraw/zinc/42/26/82/170422682.db2.gz LJZMDIPDJSILHI-HNNXBMFYSA-N 1 2 283.306 2.848 10 0 CFAELO NC(=S)c1ccc[nH+]c1NCc1ccc(Cl)cc1 ZINC000020213029 171075833 /nfs/dbraw/zinc/07/58/33/171075833.db2.gz NYFPUSZTGXAWBK-UHFFFAOYSA-N 1 2 277.780 2.981 10 0 CFAELO CCc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000021821913 171334719 /nfs/dbraw/zinc/33/47/19/171334719.db2.gz LFBMPBHBICIJBX-IHRRRGAJSA-N 1 2 290.407 2.685 10 0 CFAELO Cc1cc2[nH+]cn(Cc3csc(N)n3)c2cc1C ZINC000034960609 171905659 /nfs/dbraw/zinc/90/56/59/171905659.db2.gz GZMQPBOLGKVKKH-UHFFFAOYSA-N 1 2 258.350 2.740 10 0 CFAELO C[NH+](C)c1ccc(NCC(=O)Nc2cccc(F)c2)cc1 ZINC000035164851 172026679 /nfs/dbraw/zinc/02/66/79/172026679.db2.gz QADZMKBAQQMINU-UHFFFAOYSA-N 1 2 287.338 2.942 10 0 CFAELO C[NH2+][C@H](C)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000035644146 172322353 /nfs/dbraw/zinc/32/23/53/172322353.db2.gz NIJLDSFCNPTYHH-SNVBAGLBSA-N 1 2 296.417 2.829 10 0 CFAELO COc1cccc(-c2noc([C@H]([NH3+])c3ccccc3)n2)c1 ZINC000035676592 172347151 /nfs/dbraw/zinc/34/71/51/172347151.db2.gz URJZSKIEUQBCEB-CQSZACIVSA-N 1 2 281.315 2.793 10 0 CFAELO Cc1ccccc1NC(=O)CSc1ccc(N)[nH+]c1 ZINC000037192677 173022259 /nfs/dbraw/zinc/02/22/59/173022259.db2.gz SEJWQMZXSIGSNC-UHFFFAOYSA-N 1 2 273.361 2.703 10 0 CFAELO C[C@H](Sc1ccc(N)[nH+]c1)C(=O)Nc1ccccc1 ZINC000037192571 173022449 /nfs/dbraw/zinc/02/24/49/173022449.db2.gz IENPXYMPOYRNRV-JTQLQIEISA-N 1 2 273.361 2.783 10 0 CFAELO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccccc21)c1ccco1 ZINC000037260234 173070289 /nfs/dbraw/zinc/07/02/89/173070289.db2.gz FLMVVVZGLZKXLV-WCQYABFASA-N 1 2 291.372 2.849 10 0 CFAELO CN(c1ccc2[nH+]cccc2c1N)[C@H]1CCSC1 ZINC000037377948 173166161 /nfs/dbraw/zinc/16/61/61/173166161.db2.gz QTLFJLWVBNTZKI-JTQLQIEISA-N 1 2 259.378 2.759 10 0 CFAELO C[C@H]1C[NH+](Cc2c(N)cccc2Br)C[C@H](C)O1 ZINC000037401765 173178402 /nfs/dbraw/zinc/17/84/02/173178402.db2.gz FMZMSQNREDVFIA-UWVGGRQHSA-N 1 2 299.212 2.641 10 0 CFAELO CCC[NH2+][C@H](C(=O)OCC)c1cc(C)c(O)c(C)c1 ZINC000037513773 173244830 /nfs/dbraw/zinc/24/48/30/173244830.db2.gz CUADZRSMIXGJLU-ZDUSSCGKSA-N 1 2 265.353 2.613 10 0 CFAELO C[C@@H]1C[NH+](Cc2ccc(N)cc2Br)C[C@@H](C)O1 ZINC000037515881 173247569 /nfs/dbraw/zinc/24/75/69/173247569.db2.gz CBNCMHBLDWTWBG-NXEZZACHSA-N 1 2 299.212 2.641 10 0 CFAELO Cc1ccc2[nH+]c(COc3ccccc3N)cn2c1 ZINC000038055939 174066867 /nfs/dbraw/zinc/06/68/67/174066867.db2.gz KNBBCEJVZUJFSM-UHFFFAOYSA-N 1 2 253.305 2.804 10 0 CFAELO CCOC(=O)[C@]1([NH2+][C@@H](C)CC)CCc2ccccc21 ZINC000038067729 174079727 /nfs/dbraw/zinc/07/97/27/174079727.db2.gz RXZYGOAJKGWZJJ-LRDDRELGSA-N 1 2 261.365 2.779 10 0 CFAELO Cc1[nH+]c2cc(C(F)(F)F)ccc2n1CCCO ZINC000040402113 174253180 /nfs/dbraw/zinc/25/31/80/174253180.db2.gz SAUAMALHLIIEMR-UHFFFAOYSA-N 1 2 258.243 2.746 10 0 CFAELO CCNc1[nH+]cnc(N(CC)c2cccc(C)c2)c1N ZINC000040661723 174366045 /nfs/dbraw/zinc/36/60/45/174366045.db2.gz LPWVDJOWICWWMQ-UHFFFAOYSA-N 1 2 271.368 2.957 10 0 CFAELO Cc1cccnc1Nc1nc[nH+]c(NC(C)(C)C)c1N ZINC000040680537 174374930 /nfs/dbraw/zinc/37/49/30/174374930.db2.gz KOZITYPHWAGEEM-UHFFFAOYSA-N 1 2 272.356 2.716 10 0 CFAELO COc1ccc(C)cc1Nc1nc[nH+]c(NC(C)C)c1N ZINC000040684158 174375420 /nfs/dbraw/zinc/37/54/20/174375420.db2.gz KQZQUFUWYIKHOO-UHFFFAOYSA-N 1 2 287.367 2.940 10 0 CFAELO Cc1ccc(C)c(Nc2ncnc(-n3cc[nH+]c3)c2N)c1 ZINC000040704754 174379149 /nfs/dbraw/zinc/37/91/49/174379149.db2.gz WMSBMEJANVBMAX-UHFFFAOYSA-N 1 2 280.335 2.605 10 0 CFAELO CNc1nc[nH+]c(Nc2ccc(F)c(Cl)c2)c1N ZINC000040707086 174379452 /nfs/dbraw/zinc/37/94/52/174379452.db2.gz KHJQOMNUSDDPRB-UHFFFAOYSA-N 1 2 267.695 2.637 10 0 CFAELO CNc1[nH+]cnc(Nc2ccc(F)c(Cl)c2)c1N ZINC000040707086 174379454 /nfs/dbraw/zinc/37/94/54/174379454.db2.gz KHJQOMNUSDDPRB-UHFFFAOYSA-N 1 2 267.695 2.637 10 0 CFAELO CCN(CC)c1[nH+]cnc(Nc2ccc(C(C)=O)cc2)c1N ZINC000040723237 174385549 /nfs/dbraw/zinc/38/55/49/174385549.db2.gz CESBSNBQWYMXDY-UHFFFAOYSA-N 1 2 299.378 2.851 10 0 CFAELO CCN(CC)c1nc[nH+]c(Nc2ccc(C(C)=O)cc2)c1N ZINC000040723237 174385551 /nfs/dbraw/zinc/38/55/51/174385551.db2.gz CESBSNBQWYMXDY-UHFFFAOYSA-N 1 2 299.378 2.851 10 0 CFAELO CCN(CC)c1nc[nH+]c(Nc2ccc(F)cc2)c1N ZINC000040723234 174385562 /nfs/dbraw/zinc/38/55/62/174385562.db2.gz VEFYPRZCNSIUDG-UHFFFAOYSA-N 1 2 275.331 2.788 10 0 CFAELO Cc1nn(-c2c(C(N)=S)c[nH+]c3ccccc32)c(C)c1C ZINC000040730150 174388239 /nfs/dbraw/zinc/38/82/39/174388239.db2.gz XJKPEGVATYCRST-UHFFFAOYSA-N 1 2 296.399 2.980 10 0 CFAELO COc1ccc([C@H](C)[NH2+]Cc2coc(C)n2)cc1OC ZINC000660190126 414679061 /nfs/dbraw/zinc/67/90/61/414679061.db2.gz UAJSNFJNSZZVKP-JTQLQIEISA-N 1 2 276.336 2.851 10 0 CFAELO [NH3+][C@H](c1nc2c(s1)CCC2)c1c(F)cccc1F ZINC000041183466 174506422 /nfs/dbraw/zinc/50/64/22/174506422.db2.gz CZBWLFLZNGXNBW-LBPRGKRZSA-N 1 2 266.316 2.958 10 0 CFAELO Cc1ccc(C(N)=S)c(N(C)CCC(C)C)[nH+]1 ZINC000043396796 175036152 /nfs/dbraw/zinc/03/61/52/175036152.db2.gz AHYRSCFWPIUEAL-UHFFFAOYSA-N 1 2 251.399 2.507 10 0 CFAELO Cc1ccc(C(N)=S)c(N(C)Cc2ccsc2)[nH+]1 ZINC000043396661 175036338 /nfs/dbraw/zinc/03/63/38/175036338.db2.gz AMHSUMNKPADYPH-UHFFFAOYSA-N 1 2 277.418 2.722 10 0 CFAELO Cc1ccc(C(N)=S)c(NCCOc2ccccc2)[nH+]1 ZINC000043398524 175036862 /nfs/dbraw/zinc/03/68/62/175036862.db2.gz YJJXYRUOWVJXBE-UHFFFAOYSA-N 1 2 287.388 2.515 10 0 CFAELO COC(=O)[C@@H](CC(C)C)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000043435048 175044492 /nfs/dbraw/zinc/04/44/92/175044492.db2.gz XJEVVUKCWYIBHX-ZIAGYGMSSA-N 1 2 299.798 2.551 10 0 CFAELO CCCNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000043467427 175053097 /nfs/dbraw/zinc/05/30/97/175053097.db2.gz RQVMHLMMUPAHSV-UHFFFAOYSA-N 1 2 295.814 2.577 10 0 CFAELO CCOC(=O)[C@@H](C)Cn1cc[nH+]c1-c1ccccc1 ZINC000043615032 175079693 /nfs/dbraw/zinc/07/96/93/175079693.db2.gz MEZSJCYYIFXCMH-LBPRGKRZSA-N 1 2 258.321 2.749 10 0 CFAELO Cc1c(C)n(CC[C@@H]2CCCO2)c2nc(C)[nH+]c(N)c12 ZINC000044510608 175187718 /nfs/dbraw/zinc/18/77/18/175187718.db2.gz REEKUMOLOLSFOI-LBPRGKRZSA-N 1 2 274.368 2.508 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H](C)[C@@H](C)CC)c1N ZINC000044591062 175212618 /nfs/dbraw/zinc/21/26/18/175212618.db2.gz IVWOJWYODDRZDR-DTWKUNHWSA-N 1 2 253.346 2.558 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@@H](C)[C@H](C)CC)c1N ZINC000044591064 175212727 /nfs/dbraw/zinc/21/27/27/175212727.db2.gz IVWOJWYODDRZDR-BDAKNGLRSA-N 1 2 253.346 2.558 10 0 CFAELO CCOC(=O)c1[nH+]c(C)n([C@H](C)c2ccc(F)cc2)c1N ZINC000044591112 175212739 /nfs/dbraw/zinc/21/27/39/175212739.db2.gz DXDAZLLFKCLPRF-SECBINFHSA-N 1 2 291.326 2.699 10 0 CFAELO Cc1ccc(C(N)=S)c(N[C@H]2C[C@@H]2c2ccccc2)[nH+]1 ZINC000044660481 175226205 /nfs/dbraw/zinc/22/62/05/175226205.db2.gz IXQDXNYWSCYOKU-KGLIPLIRSA-N 1 2 283.400 2.992 10 0 CFAELO COc1ccc2c(c1)[C@H]([NH2+]Cc1cc(C)no1)CCO2 ZINC000044987257 175284694 /nfs/dbraw/zinc/28/46/94/175284694.db2.gz DMATUZMEIODRNM-CQSZACIVSA-N 1 2 274.320 2.605 10 0 CFAELO Cc1cc(CNc2ccc3[nH+]cccc3c2N)on1 ZINC000044988370 175284965 /nfs/dbraw/zinc/28/49/65/175284965.db2.gz XNTXCTJBWKSUQU-UHFFFAOYSA-N 1 2 254.293 2.726 10 0 CFAELO CCCc1[nH+]c2cc(C(=O)[O-])ccc2n1C[C@@H](C)[NH+](C)C ZINC000045108973 175308977 /nfs/dbraw/zinc/30/89/77/175308977.db2.gz HXSCRSLGRCXJKD-LLVKDONJSA-N 1 2 289.379 2.637 10 0 CFAELO CC[NH2+][C@](C)(CCN(CC)c1ccccc1C)C(=O)OC ZINC000045223094 175331130 /nfs/dbraw/zinc/33/11/30/175331130.db2.gz SZNJWGDFVLUFKC-QGZVFWFLSA-N 1 2 292.423 2.753 10 0 CFAELO CN1C(N)=[NH+]C(C2CCCCC2)(C2CCCCC2)C1=O ZINC000045337578 175360988 /nfs/dbraw/zinc/36/09/88/175360988.db2.gz IAMIFCZOYVOTFD-UHFFFAOYSA-N 1 2 277.412 2.673 10 0 CFAELO CC[N@H+](CCCC[C@@](C)([NH3+])C(=O)[O-])c1ccccc1C ZINC000045369622 175363706 /nfs/dbraw/zinc/36/37/06/175363706.db2.gz FNYDOIBKJOGOBQ-MRXNPFEDSA-N 1 2 278.396 2.794 10 0 CFAELO CC[N@@H+](CCCC[C@@](C)([NH3+])C(=O)[O-])c1ccccc1C ZINC000045369622 175363707 /nfs/dbraw/zinc/36/37/07/175363707.db2.gz FNYDOIBKJOGOBQ-MRXNPFEDSA-N 1 2 278.396 2.794 10 0 CFAELO CCc1nnc(C[N@H+](C)[C@H](C)c2cccs2)n1C ZINC000195084478 270250067 /nfs/dbraw/zinc/25/00/67/270250067.db2.gz YQSKDLJSOPZFPH-SNVBAGLBSA-N 1 2 264.398 2.632 10 0 CFAELO CCc1nnc(C[N@@H+](C)[C@H](C)c2cccs2)n1C ZINC000195084478 270250069 /nfs/dbraw/zinc/25/00/69/270250069.db2.gz YQSKDLJSOPZFPH-SNVBAGLBSA-N 1 2 264.398 2.632 10 0 CFAELO CC(C)(C)OC(=O)N1CC[C@]2(C1)Nc1ccccc1C[NH2+]2 ZINC000085347918 277192419 /nfs/dbraw/zinc/19/24/19/277192419.db2.gz MATCZRKLOVSVEV-MRXNPFEDSA-N 1 2 289.379 2.539 10 0 CFAELO COc1cccc(-c2[nH]nc3c2C[N@@H+](C2CCC2)CC3)c1 ZINC000012299894 278005954 /nfs/dbraw/zinc/00/59/54/278005954.db2.gz FBQKCUFRGSSPBH-UHFFFAOYSA-N 1 2 283.375 2.996 10 0 CFAELO COc1cccc(-c2[nH]nc3c2C[N@H+](C2CCC2)CC3)c1 ZINC000012299894 278005956 /nfs/dbraw/zinc/00/59/56/278005956.db2.gz FBQKCUFRGSSPBH-UHFFFAOYSA-N 1 2 283.375 2.996 10 0 CFAELO COc1cc2c(c(C[NH+]3C[C@H](C)O[C@@H](C)C3)c1)O[C@@H](C)C2 ZINC000246245790 280978704 /nfs/dbraw/zinc/97/87/04/280978704.db2.gz UMPNJNHIKGDVRU-AVGNSLFASA-N 1 2 291.391 2.628 10 0 CFAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCc2occc21 ZINC000192947963 281522323 /nfs/dbraw/zinc/52/23/23/281522323.db2.gz YXXNABGLRGGZMN-OLZOCXBDSA-N 1 2 286.379 2.936 10 0 CFAELO Cc1cnc(C)c(N2CCc3c([nH+]c(C(C)C)n3C)C2)n1 ZINC000302212790 302338966 /nfs/dbraw/zinc/33/89/66/302338966.db2.gz HLDLBMJQKBGQRT-UHFFFAOYSA-N 1 2 285.395 2.513 10 0 CFAELO Cc1nc(N2CCO[C@@H]3CCCC[C@H]32)c2c([nH+]1)CCCC2 ZINC000302115987 302648948 /nfs/dbraw/zinc/64/89/48/302648948.db2.gz WCLPHHRLKSALAI-HZPDHXFCSA-N 1 2 287.407 2.812 10 0 CFAELO CCn1c(C)nnc1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000195035869 324100123 /nfs/dbraw/zinc/10/01/23/324100123.db2.gz ZKOIRFZWPOVMAT-UHFFFAOYSA-N 1 2 288.370 2.910 10 0 CFAELO CCn1c(C)nnc1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000195035869 324100127 /nfs/dbraw/zinc/10/01/27/324100127.db2.gz ZKOIRFZWPOVMAT-UHFFFAOYSA-N 1 2 288.370 2.910 10 0 CFAELO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)n1C ZINC000195019501 324100328 /nfs/dbraw/zinc/10/03/28/324100328.db2.gz RIRDCHXNIGDGMP-SNVBAGLBSA-N 1 2 290.333 2.713 10 0 CFAELO CC(C)c1nnc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)n1C ZINC000195019501 324100332 /nfs/dbraw/zinc/10/03/32/324100332.db2.gz RIRDCHXNIGDGMP-SNVBAGLBSA-N 1 2 290.333 2.713 10 0 CFAELO