smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2noc([C@H](C)O)c2C(=O)NCC[NH+]2CCOCC2)cc1OC ZINC000253396135 291196212 /nfs/dbraw/zinc/19/62/12/291196212.db2.gz DEHSMTLZKJGXFJ-ZDUSSCGKSA-N 1 2 405.451 1.474 40 0 biogenic,in-vitro HDABLO Nc1nc(N2CCOCC2)[nH+]c2c1[C@H](C(=O)Nc1cccc(Cl)c1)CC(=O)N2 ZINC000020635745 558395926 /nfs/dbraw/zinc/39/59/26/558395926.db2.gz XKRYCSPFGPATOA-GFCCVEGCSA-N 1 2 402.842 1.613 40 0 HDABLO CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@](Cc1ccc(O)cc1)(C(=O)OC)[NH2+][C@@H]2c1ccc(O)cc1 ZINC000012496522 558423735 /nfs/dbraw/zinc/42/37/35/558423735.db2.gz TYLZOQAXNXQEBE-ISJRUSPKSA-N 1 2 424.453 1.518 40 0 HDABLO O=[S@@]1c2ccccc2C(N2CC[NH+](CCOCCO)CC2)=Nc2ccc(O)cc21 ZINC000022061168 558460744 /nfs/dbraw/zinc/46/07/44/558460744.db2.gz PUDUSSVBGMRCCM-LJAQVGFWSA-N 1 2 415.515 1.577 40 0 in-vitro HDABLO O=C(NCC[NH+]1CCOCC1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000022520466 558494480 /nfs/dbraw/zinc/49/44/80/558494480.db2.gz IWCUGKNZLSRWOJ-FQEVSTJZSA-N 1 2 423.579 1.109 40 0 HDABLO O[C@@H]1c2cc(Br)ccc2OC[C@]1(C[NH+]1CCOCC1)N1CCOCC1 ZINC000022859993 558517426 /nfs/dbraw/zinc/51/74/26/558517426.db2.gz JLFKVUBNGKUVHH-MSOLQXFVSA-N 1 2 413.312 1.278 40 0 HDABLO Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000022873943 558518434 /nfs/dbraw/zinc/51/84/34/558518434.db2.gz UNOHOINNSRVBQT-CQSZACIVSA-N 1 2 403.932 1.251 40 0 HDABLO CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCCn2cc[nH+]c2)cc1Cl ZINC000016692519 558800354 /nfs/dbraw/zinc/80/03/54/558800354.db2.gz NVVYAALDEYFHCL-UHFFFAOYSA-N 1 2 414.915 1.762 40 0 HDABLO O=C(NCC[NH+]1CCN(c2cccc3c2OC[C@@H](CO)O3)CC1)c1ccc(F)cc1 ZINC000053122860 558862680 /nfs/dbraw/zinc/86/26/80/558862680.db2.gz NYSDRDDQELAVKP-GOSISDBHSA-N 1 2 415.465 1.510 40 0 investigational HDABLO COc1cc(C(=O)N2CCN([C@H](c3[nH+]ccn3C)c3ccccc3)CC2)nc(OC)n1 ZINC000019291312 558863821 /nfs/dbraw/zinc/86/38/21/558863821.db2.gz MBHWUNQYHHTCRI-IBGZPJMESA-N 1 2 422.489 1.775 40 0 HDABLO CCn1cc(C[NH+]2CCN(C(=O)[C@H](C)N3c4ccccc4O[C@H](C)C3=O)CC2)cn1 ZINC000019524945 558906222 /nfs/dbraw/zinc/90/62/22/558906222.db2.gz ZTKDMWJLPSDWJA-DLBZAZTESA-N 1 2 411.506 1.750 40 0 HDABLO COc1cc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)ccc1OCC(N)=O ZINC000019550189 558915002 /nfs/dbraw/zinc/91/50/02/558915002.db2.gz RIIAAVQLZVIXIV-UHFFFAOYSA-N 1 2 421.457 1.263 40 0 HDABLO COc1cc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)ccc1OCC(N)=O ZINC000019550189 558915004 /nfs/dbraw/zinc/91/50/04/558915004.db2.gz RIIAAVQLZVIXIV-UHFFFAOYSA-N 1 2 421.457 1.263 40 0 HDABLO CS(=O)(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3Cc3cccs3)[nH]c(=O)c2C1 ZINC000019572650 558930832 /nfs/dbraw/zinc/93/08/32/558930832.db2.gz XOPOZRWWRSSWHS-INIZCTEOSA-N 1 2 408.549 1.876 40 0 HDABLO CS(=O)(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3Cc3cccs3)[nH]c(=O)c2C1 ZINC000019572650 558930836 /nfs/dbraw/zinc/93/08/36/558930836.db2.gz XOPOZRWWRSSWHS-INIZCTEOSA-N 1 2 408.549 1.876 40 0 HDABLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Cn2c(C)nc3ccccc3c2=O)CC1 ZINC000019664982 558955216 /nfs/dbraw/zinc/95/52/16/558955216.db2.gz QJTCVQGQJMCVQP-UHFFFAOYSA-N 1 2 408.506 1.400 40 0 HDABLO CCn1nccc1C(=O)N1CCC(c2ccc(C(=O)N3CC[NH+](C)CC3)cn2)CC1 ZINC000019705835 558968312 /nfs/dbraw/zinc/96/83/12/558968312.db2.gz WPZBNTPFNAPDNI-UHFFFAOYSA-N 1 2 410.522 1.705 40 0 HDABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1)C1CC1 ZINC000019708129 558970141 /nfs/dbraw/zinc/97/01/41/558970141.db2.gz YGKIPIRFQDXBJM-SFHVURJKSA-N 1 2 417.535 1.835 40 0 HDABLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1)C1CC1 ZINC000019708130 558970178 /nfs/dbraw/zinc/97/01/78/558970178.db2.gz YGKIPIRFQDXBJM-GOSISDBHSA-N 1 2 417.535 1.835 40 0 HDABLO O=C(NCc1cccnc1)[C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000096251049 559105188 /nfs/dbraw/zinc/10/51/88/559105188.db2.gz BYAKTBKVSALJKX-GUDVDZBRSA-N 1 2 400.504 1.028 40 0 HDABLO O=C(NCc1cccnc1)[C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000096251049 559105189 /nfs/dbraw/zinc/10/51/89/559105189.db2.gz BYAKTBKVSALJKX-GUDVDZBRSA-N 1 2 400.504 1.028 40 0 HDABLO CS(=O)(=O)Nc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(CO)o3)n2)ccn1 ZINC000035425567 560080882 /nfs/dbraw/zinc/08/08/82/560080882.db2.gz DYZCMISTOQYSRS-HNNXBMFYSA-N 1 2 419.463 1.926 40 0 biogenic,in-vitro HDABLO CS(=O)(=O)Nc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(CO)o3)n2)ccn1 ZINC000035425567 560080883 /nfs/dbraw/zinc/08/08/83/560080883.db2.gz DYZCMISTOQYSRS-HNNXBMFYSA-N 1 2 419.463 1.926 40 0 biogenic,in-vitro HDABLO O=c1[nH]c(NC2CC[NH+](Cc3nnnn3Cc3ccccc3)CC2)nc2c1CCCC2 ZINC000005626386 560628020 /nfs/dbraw/zinc/62/80/20/560628020.db2.gz WEOVKUGVKWMDTO-UHFFFAOYSA-N 1 2 420.521 1.760 40 0 HDABLO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(N)=O ZINC000102337278 560731018 /nfs/dbraw/zinc/73/10/18/560731018.db2.gz CMRUCAPWVGLMEN-MKXGPGLRSA-N 1 2 417.421 1.474 40 0 HDABLO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(N)=O ZINC000102337278 560731020 /nfs/dbraw/zinc/73/10/20/560731020.db2.gz CMRUCAPWVGLMEN-MKXGPGLRSA-N 1 2 417.421 1.474 40 0 HDABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2=O)C1 ZINC000014607431 560846987 /nfs/dbraw/zinc/84/69/87/560846987.db2.gz WNCNBJCXNFPBIT-DZGCQCFKSA-N 1 2 420.462 1.619 40 0 HDABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2=O)C1 ZINC000014607431 560846989 /nfs/dbraw/zinc/84/69/89/560846989.db2.gz WNCNBJCXNFPBIT-DZGCQCFKSA-N 1 2 420.462 1.619 40 0 HDABLO C[NH+]1CCN(C(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)CC1 ZINC000026113283 568539746 /nfs/dbraw/zinc/53/97/46/568539746.db2.gz LCMOWKVCXQEBJU-HXUWFJFHSA-N 1 2 415.515 1.558 40 0 HDABLO Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)ncn1 ZINC000257244564 568788678 /nfs/dbraw/zinc/78/86/78/568788678.db2.gz ILWXMFTXNWFAAR-QFIPXVFZSA-N 1 2 406.490 1.743 40 0 HDABLO CNC(=O)c1cccc([C@@H]2CN(CC(=O)N3CC(=O)Nc4ccccc43)CC[N@@H+]2C)c1 ZINC000257321854 568811100 /nfs/dbraw/zinc/81/11/00/568811100.db2.gz WDNYMSQOCYPGFK-FQEVSTJZSA-N 1 2 421.501 1.320 40 0 HDABLO CNC(=O)c1cccc([C@@H]2CN(CC(=O)N3CC(=O)Nc4ccccc43)CC[N@H+]2C)c1 ZINC000257321854 568811101 /nfs/dbraw/zinc/81/11/01/568811101.db2.gz WDNYMSQOCYPGFK-FQEVSTJZSA-N 1 2 421.501 1.320 40 0 HDABLO Cn1c[nH+]c([C@@H]2CN(C(=O)c3ccn(C)n3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306131894 568894154 /nfs/dbraw/zinc/89/41/54/568894154.db2.gz KSFGFKZVVWDDRL-JTSKRJEESA-N 1 2 419.489 1.207 40 0 HDABLO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(O)cc1)[NH2+][C@]2(Cc1ccc(O)cc1)C(=O)OC ZINC000229994966 569287271 /nfs/dbraw/zinc/28/72/71/569287271.db2.gz TYLZOQAXNXQEBE-KGYLXKDPSA-N 1 2 424.453 1.518 40 0 HDABLO COc1cc(/C=C\C(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)cc(OC)c1OC ZINC000038605257 571314046 /nfs/dbraw/zinc/31/40/46/571314046.db2.gz RCUDFXMNPQNBDU-SREVYHEPSA-N 1 2 417.506 1.492 40 0 HDABLO Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](Cc4ccc(F)cc4)C3)C2=O)o1 ZINC000225397597 291198635 /nfs/dbraw/zinc/19/86/35/291198635.db2.gz RXZWCUNCFFSLRU-MJGOQNOKSA-N 1 2 413.449 1.286 40 0 biogenic,in-vitro HDABLO COCc1nn2c(nnc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccc(OC)cc1 ZINC000040372623 523248298 /nfs/dbraw/zinc/24/82/98/523248298.db2.gz GIEMFGUDGWWTTA-UHFFFAOYSA-N 1 2 410.478 1.642 40 0 HDABLO COCc1nn2c(nnc3c2ccn(N2CC[NH+](C)CC2)c3=O)c1-c1ccc(F)cc1 ZINC000040392187 523249889 /nfs/dbraw/zinc/24/98/89/523249889.db2.gz CXFFGWHUNLOANQ-UHFFFAOYSA-N 1 2 423.452 1.275 40 0 HDABLO Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2[nH+]c(N3CCOCC3)nc(N)c21 ZINC000020800044 525774117 /nfs/dbraw/zinc/77/41/17/525774117.db2.gz UPCDTZADGVETNE-LLVKDONJSA-N 1 2 416.869 1.922 40 0 HDABLO CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408604206 557525111 /nfs/dbraw/zinc/52/51/11/557525111.db2.gz LKCKPPAQRVLBLG-QGZVFWFLSA-N 1 2 417.531 1.706 40 0 HDABLO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1I ZINC000408621177 557546094 /nfs/dbraw/zinc/54/60/94/557546094.db2.gz ONNFXSLFTXPJAT-UHFFFAOYSA-N 1 2 421.260 1.865 40 0 HDABLO C[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036048077 557827343 /nfs/dbraw/zinc/82/73/43/557827343.db2.gz QWXDSDVTYRVFCY-HNNXBMFYSA-N 1 2 401.554 1.186 40 0 HDABLO Cc1ccc(=O)n(CC(=O)N2CCC(Cc3cc(N4CCCC4)nc(C)[nH+]3)CC2)n1 ZINC000019758604 558274966 /nfs/dbraw/zinc/27/49/66/558274966.db2.gz CMIUEKKKDYTEAC-UHFFFAOYSA-N 1 2 410.522 1.732 40 0 HDABLO C[C@@H](CN1CCOCC1)OC(=O)CCCCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000019798112 558284755 /nfs/dbraw/zinc/28/47/55/558284755.db2.gz RQMDUBJYRUZZRE-ROUUACIJSA-N 1 2 400.516 1.075 40 0 HDABLO Cc1oc2c(c1CC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)C(=O)CC(C)(C)C2 ZINC000012360910 558387062 /nfs/dbraw/zinc/38/70/62/558387062.db2.gz PKWGPMGVJSCMBL-HNNXBMFYSA-N 1 2 424.563 1.863 40 0 HDABLO O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCC[NH+]1CCOCC1 ZINC000016479540 558794036 /nfs/dbraw/zinc/79/40/36/558794036.db2.gz DUAYRMHTUBGIIV-UHFFFAOYSA-N 1 2 417.531 1.326 40 0 HDABLO COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000036300630 558798969 /nfs/dbraw/zinc/79/89/69/558798969.db2.gz JXUQGUMXIAUAAU-UHFFFAOYSA-N 1 2 419.503 1.892 40 0 HDABLO CCN(CC(=O)NCC[NH+]1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000039985996 558823677 /nfs/dbraw/zinc/82/36/77/558823677.db2.gz WTQYYIJKFSBXIM-UHFFFAOYSA-N 1 2 405.520 1.299 40 0 HDABLO Cc1cc(-c2cnc(N3CC[NH+](CC(=O)NC(C)C)CC3)nc2[C@@H]2CCCO2)on1 ZINC000019122626 558843926 /nfs/dbraw/zinc/84/39/26/558843926.db2.gz XBTKAIILWVZFPO-KRWDZBQOSA-N 1 2 414.510 1.938 40 0 HDABLO COc1cccc(C[N@@H+]2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)c1 ZINC000019565192 558925198 /nfs/dbraw/zinc/92/51/98/558925198.db2.gz KQBCEDHBNAHWMV-GOSISDBHSA-N 1 2 418.519 1.846 40 0 HDABLO COc1cccc(C[N@H+]2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)c1 ZINC000019565192 558925200 /nfs/dbraw/zinc/92/52/00/558925200.db2.gz KQBCEDHBNAHWMV-GOSISDBHSA-N 1 2 418.519 1.846 40 0 HDABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NCCCOC3CCCC3)c2)CC1 ZINC000061255926 558944918 /nfs/dbraw/zinc/94/49/18/558944918.db2.gz DPWJZWLCQGARGX-UHFFFAOYSA-N 1 2 409.552 1.702 40 0 HDABLO CC(=O)N1CCO[C@H](c2c3ccccc3sc2C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000072352674 558949263 /nfs/dbraw/zinc/94/92/63/558949263.db2.gz KLJCPXLCJONUEG-KRWDZBQOSA-N 1 2 417.531 1.571 40 0 HDABLO NC(=O)C1([NH+]2CCOCC2)CCN(c2nnc(N3CCCCC3)c3ccccc32)CC1 ZINC000019656838 558949479 /nfs/dbraw/zinc/94/94/79/558949479.db2.gz FIGUYKMHWYZZCJ-UHFFFAOYSA-N 1 2 424.549 1.777 40 0 HDABLO Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000019708750 558971289 /nfs/dbraw/zinc/97/12/89/558971289.db2.gz ITJZUXRWPQCRSE-HXUWFJFHSA-N 1 2 411.506 1.980 40 0 HDABLO CNc1nc(C2CCN(C(=O)CN3CCCCCC3=O)CC2)nc2c1C[N@H+](C)CC2 ZINC000019711409 558973761 /nfs/dbraw/zinc/97/37/61/558973761.db2.gz NXJQTVKIKKCTEY-UHFFFAOYSA-N 1 2 414.554 1.615 40 0 HDABLO CNc1nc(C2CCN(C(=O)CN3CCCCCC3=O)CC2)nc2c1C[N@@H+](C)CC2 ZINC000019711409 558973764 /nfs/dbraw/zinc/97/37/64/558973764.db2.gz NXJQTVKIKKCTEY-UHFFFAOYSA-N 1 2 414.554 1.615 40 0 HDABLO CN1CC[N@H+](C[C@H]2CC3(CO2)CCN(C(=O)Cc2ccc(O)cc2)CC3)CC1=O ZINC000585104495 559026983 /nfs/dbraw/zinc/02/69/83/559026983.db2.gz PFOMQQAAZOPEGG-LJQANCHMSA-N 1 2 401.507 1.106 40 0 HDABLO CN1CC[N@@H+](C[C@H]2CC3(CO2)CCN(C(=O)Cc2ccc(O)cc2)CC3)CC1=O ZINC000585104495 559026984 /nfs/dbraw/zinc/02/69/84/559026984.db2.gz PFOMQQAAZOPEGG-LJQANCHMSA-N 1 2 401.507 1.106 40 0 HDABLO C[N@@H+]1CCO[C@@H](CNC(=O)c2nc3c(o2)CCN(Cc2ccc(F)cc2F)C3)C1 ZINC000585111432 559030464 /nfs/dbraw/zinc/03/04/64/559030464.db2.gz AKTKRBCBRQTMGB-HNNXBMFYSA-N 1 2 406.433 1.572 40 0 HDABLO C[N@H+]1CCO[C@@H](CNC(=O)c2nc3c(o2)CCN(Cc2ccc(F)cc2F)C3)C1 ZINC000585111432 559030465 /nfs/dbraw/zinc/03/04/65/559030465.db2.gz AKTKRBCBRQTMGB-HNNXBMFYSA-N 1 2 406.433 1.572 40 0 HDABLO COc1ccc(CN2CCc3oc(C(=O)NC[C@@H]4C[N@H+](C)CCO4)nc3C2)c(F)c1 ZINC000585111857 559030722 /nfs/dbraw/zinc/03/07/22/559030722.db2.gz HRFFGBZIYGXGHS-MRXNPFEDSA-N 1 2 418.469 1.441 40 0 HDABLO COc1ccc(CN2CCc3oc(C(=O)NC[C@@H]4C[N@@H+](C)CCO4)nc3C2)c(F)c1 ZINC000585111857 559030724 /nfs/dbraw/zinc/03/07/24/559030724.db2.gz HRFFGBZIYGXGHS-MRXNPFEDSA-N 1 2 418.469 1.441 40 0 HDABLO COc1ccc(S(=O)(=O)N2CCc3[nH+]c(N4CCCC4)nc(N(C)C)c3C2)cc1 ZINC000096253984 559105676 /nfs/dbraw/zinc/10/56/76/559105676.db2.gz UCDYXZLZBSXVPJ-UHFFFAOYSA-N 1 2 417.535 1.898 40 0 HDABLO CCOC(=O)CNC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(OC)cc1 ZINC000004230921 560602809 /nfs/dbraw/zinc/60/28/09/560602809.db2.gz PYBQGLMUZWKEEI-UHFFFAOYSA-N 1 2 401.448 1.596 40 0 HDABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000220199308 568503391 /nfs/dbraw/zinc/50/33/91/568503391.db2.gz QKFYNYXHKFZUFK-ZDUSSCGKSA-N 1 2 423.457 1.308 40 0 HDABLO COCCn1c(C)cc(O)c([C@H](c2ccccc2)[NH+]2CCN(CCO)CC2)c1=O ZINC000021097654 568665277 /nfs/dbraw/zinc/66/52/77/568665277.db2.gz LRCCPTKNXCKSLU-NRFANRHFSA-N 1 2 401.507 1.208 40 0 HDABLO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH+]3CCOCC3)C2)c1 ZINC000225924113 568686444 /nfs/dbraw/zinc/68/64/44/568686444.db2.gz NCMSRMVPUXFAJP-GOSISDBHSA-N 1 2 409.552 1.153 40 0 HDABLO COCCN1CC[C@]2(CN(C(=O)c3ccc(C)s3)C[C@@H]2c2cn(C)c[nH+]2)C1=O ZINC000306127305 568889952 /nfs/dbraw/zinc/88/99/52/568889952.db2.gz FUUHDWYXOCSQGM-FOIQADDNSA-N 1 2 402.520 1.895 40 0 HDABLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC2(CC[C@@H]3ON=C(C(=O)N4CC(F)C4)[C@@H]32)CC1 ZINC000306127443 568890172 /nfs/dbraw/zinc/89/01/72/568890172.db2.gz FYSOXGOYZFCFCL-PHQDNCEWSA-N 1 2 401.442 1.377 40 0 HDABLO CCNC(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1ccnc(N3CCOCC3)c1)CCO2 ZINC000306129538 568892041 /nfs/dbraw/zinc/89/20/41/568892041.db2.gz IGNKNYGXORJREN-KNQAVFIVSA-N 1 2 417.554 1.751 40 0 HDABLO CCNC(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1ccnc(N3CCOCC3)c1)CCO2 ZINC000306129538 568892044 /nfs/dbraw/zinc/89/20/44/568892044.db2.gz IGNKNYGXORJREN-KNQAVFIVSA-N 1 2 417.554 1.751 40 0 HDABLO Nc1ncc(C[N@@H+]2CCO[C@@]3(CCCC[C@@H]3NC(=O)Cc3cccs3)C2)cn1 ZINC000306138974 568900844 /nfs/dbraw/zinc/90/08/44/568900844.db2.gz SMCSSZOKYQWBHI-PXNSSMCTSA-N 1 2 401.536 1.993 40 0 HDABLO Nc1ncc(C[N@H+]2CCO[C@@]3(CCCC[C@@H]3NC(=O)Cc3cccs3)C2)cn1 ZINC000306138974 568900847 /nfs/dbraw/zinc/90/08/47/568900847.db2.gz SMCSSZOKYQWBHI-PXNSSMCTSA-N 1 2 401.536 1.993 40 0 HDABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4ccn(C)n4)CC2)C[N@@H+](C)C3)cc1 ZINC000306141829 568903327 /nfs/dbraw/zinc/90/33/27/568903327.db2.gz WHPHLVGLDMVWQG-UHFFFAOYSA-N 1 2 421.505 1.764 40 0 HDABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4ccn(C)n4)CC2)C[N@H+](C)C3)cc1 ZINC000306141829 568903328 /nfs/dbraw/zinc/90/33/28/568903328.db2.gz WHPHLVGLDMVWQG-UHFFFAOYSA-N 1 2 421.505 1.764 40 0 HDABLO Cn1c[nH+]c([C@@H]2CN(C(=O)c3ccnn3C)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306142124 568903730 /nfs/dbraw/zinc/90/37/30/568903730.db2.gz WQHGIWIZKMFLMU-JTSKRJEESA-N 1 2 419.489 1.207 40 0 HDABLO Cc1csc2c([C@H]3CCCN(S(=O)(=O)[C@H]4CCS(=O)(=O)C4)C3)[nH+]c(C)n12 ZINC000247925145 569315807 /nfs/dbraw/zinc/31/58/07/569315807.db2.gz APSQMUISCWFQLH-KBPBESRZSA-N 1 2 417.578 1.709 40 0 HDABLO Cc1csc2c([C@@H]3CCCN(S(=O)(=O)[C@H]4CCS(=O)(=O)C4)C3)[nH+]c(C)n12 ZINC000247925148 569315828 /nfs/dbraw/zinc/31/58/28/569315828.db2.gz APSQMUISCWFQLH-KGLIPLIRSA-N 1 2 417.578 1.709 40 0 HDABLO CS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1cc(Cl)ccc1Cl ZINC000005060213 569328477 /nfs/dbraw/zinc/32/84/77/569328477.db2.gz NYSKXXSXGGXLFX-UHFFFAOYSA-N 1 2 410.323 1.208 40 0 HDABLO Cc1nn2c(nccc2[C@@H]2CN(C(=O)c3cccnc3)CCO2)c1C[NH+]1CCOCC1 ZINC000019707723 569347944 /nfs/dbraw/zinc/34/79/44/569347944.db2.gz BIDRPQINJNBBIA-FQEVSTJZSA-N 1 2 422.489 1.479 40 0 HDABLO COc1ccc(C[NH+]2CC3(C2)C(=O)N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H](O)CN23)cc1 ZINC000225381656 291196515 /nfs/dbraw/zinc/19/65/15/291196515.db2.gz AOOCFDLHZPYZFT-CTNGQTDRSA-N 1 2 421.497 1.254 40 0 biogenic,in-vitro HDABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3F)C2)C(=O)N1Cc1ccccc1 ZINC000225386090 291201820 /nfs/dbraw/zinc/20/18/20/291201820.db2.gz NSVKMBGPZRTQKS-QUCCMNQESA-N 1 2 409.461 1.384 40 0 biogenic,in-vitro HDABLO CNc1nc(C2CCN(C(=O)COC[C@@H]3CCCO3)CC2)nc2c1C[N@H+](C)CC2 ZINC000019752420 558271969 /nfs/dbraw/zinc/27/19/69/558271969.db2.gz MHLNSORBXSBLKE-INIZCTEOSA-N 1 2 403.527 1.408 40 0 HDABLO CNc1nc(C2CCN(C(=O)COC[C@@H]3CCCO3)CC2)nc2c1C[N@@H+](C)CC2 ZINC000019752420 558271973 /nfs/dbraw/zinc/27/19/73/558271973.db2.gz MHLNSORBXSBLKE-INIZCTEOSA-N 1 2 403.527 1.408 40 0 HDABLO COc1ccc([C@@H]2NC3=[NH+]CN(CCCO)CN3c3nc4ccccc4n32)c(OC)c1 ZINC000019960418 558315498 /nfs/dbraw/zinc/31/54/98/558315498.db2.gz OSOINOLTGBCIBM-HXUWFJFHSA-N 1 2 422.489 1.979 40 0 HDABLO COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)[NH+](C)C ZINC000012239225 558359923 /nfs/dbraw/zinc/35/99/23/558359923.db2.gz MWHBIHDHDOEFLZ-MRXNPFEDSA-N 1 2 405.476 1.721 40 0 HDABLO Nc1nc(N2CCOCC2)[nH+]c2c1[C@@H](C(=O)Nc1cccc(Cl)c1)CC(=O)N2 ZINC000020635748 558395977 /nfs/dbraw/zinc/39/59/77/558395977.db2.gz XKRYCSPFGPATOA-LBPRGKRZSA-N 1 2 402.842 1.613 40 0 HDABLO CCN1C(=O)[C@H]2[C@H](c3ccc(O)cc3)[NH2+][C@@](Cc3ccc(O)cc3)(C(=O)OC)[C@@H]2C1=O ZINC000012496530 558423728 /nfs/dbraw/zinc/42/37/28/558423728.db2.gz TYLZOQAXNXQEBE-GKAYAJSDSA-N 1 2 424.453 1.518 40 0 HDABLO Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1NS(=O)(=O)c1ccccc1 ZINC000022874437 558518444 /nfs/dbraw/zinc/51/84/44/558518444.db2.gz SFQOIWOOOABFPY-UHFFFAOYSA-N 1 2 403.504 1.858 40 0 HDABLO O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCC[NH+]1CCOCC1 ZINC000016491263 558794612 /nfs/dbraw/zinc/79/46/12/558794612.db2.gz RZFASACGPIISFS-UHFFFAOYSA-N 1 2 409.552 1.458 40 0 HDABLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cn(CC(=O)NC(C)C)c2ccccc12 ZINC000036741497 558802283 /nfs/dbraw/zinc/80/22/83/558802283.db2.gz UHTGGBPEDFVEND-GOSISDBHSA-N 1 2 400.479 1.029 40 0 HDABLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cn(CC(=O)NC(C)C)c2ccccc12 ZINC000036741497 558802285 /nfs/dbraw/zinc/80/22/85/558802285.db2.gz UHTGGBPEDFVEND-GOSISDBHSA-N 1 2 400.479 1.029 40 0 HDABLO Cc1ccc([C@H](CNC(=O)Cn2cnc3sccc3c2=O)[NH+]2CCOCC2)cc1 ZINC000036748783 558802559 /nfs/dbraw/zinc/80/25/59/558802559.db2.gz GGXWDDDRVVDYQR-SFHVURJKSA-N 1 2 412.515 1.956 40 0 HDABLO Cc1cccnc1C[NH+]1CCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 ZINC000019237814 558856913 /nfs/dbraw/zinc/85/69/13/558856913.db2.gz NCLNWCRPWKUEEA-UHFFFAOYSA-N 1 2 414.531 1.670 40 0 HDABLO Cn1c2ccc(S(=O)(=O)N3CCCN(c4cccc[nH+]4)CC3)cc2n(C)c1=O ZINC000019289818 558862321 /nfs/dbraw/zinc/86/23/21/558862321.db2.gz VSDRJIABPTUBPD-UHFFFAOYSA-N 1 2 401.492 1.173 40 0 HDABLO C[C@H]1Oc2ccc(S(=O)(=O)Nc3ccc4c(c3)[nH+]cn4CCO)cc2NC1=O ZINC000019462270 558893889 /nfs/dbraw/zinc/89/38/89/558893889.db2.gz SDHBXNZAPWNJPU-LLVKDONJSA-N 1 2 402.432 1.549 40 0 HDABLO CCc1nc(N2CCN(CC(=O)N3CCC[C@H](c4csnn4)C3)CC2)cc(C)[nH+]1 ZINC000019523149 558904422 /nfs/dbraw/zinc/90/44/22/558904422.db2.gz FLUHRGTWDUACSU-INIZCTEOSA-N 1 2 415.567 1.727 40 0 HDABLO Cn1cc(C(=O)N2CCC(c3ccc(C(=O)N4CC[NH+](C)CC4)cn3)CC2)ccc1=O ZINC000019705828 558968303 /nfs/dbraw/zinc/96/83/03/558968303.db2.gz KJRWGAUXSOGRIZ-UHFFFAOYSA-N 1 2 423.517 1.188 40 0 HDABLO C[C@]12C[N@H+](Cc3ccc(N4CCOCC4)nc3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000072395035 558973745 /nfs/dbraw/zinc/97/37/45/558973745.db2.gz OQKOCTXZACNTSS-XXBNENTESA-N 1 2 406.486 1.735 40 0 HDABLO C[C@]12C[N@@H+](Cc3ccc(N4CCOCC4)nc3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000072395035 558973748 /nfs/dbraw/zinc/97/37/48/558973748.db2.gz OQKOCTXZACNTSS-XXBNENTESA-N 1 2 406.486 1.735 40 0 HDABLO COc1ncc(C[N@@H+]2CCO[C@]3(CO[C@@H](C(=O)NCc4ccon4)C3)C2)cc1C ZINC000585102178 559025409 /nfs/dbraw/zinc/02/54/09/559025409.db2.gz JCHZKKPEXLTCIL-XLIONFOSSA-N 1 2 402.451 1.063 40 0 HDABLO COc1ncc(C[N@H+]2CCO[C@]3(CO[C@@H](C(=O)NCc4ccon4)C3)C2)cc1C ZINC000585102178 559025410 /nfs/dbraw/zinc/02/54/10/559025410.db2.gz JCHZKKPEXLTCIL-XLIONFOSSA-N 1 2 402.451 1.063 40 0 HDABLO COc1ccc(C[NH+]2CC3(C2)CN(C(=O)c2cccnc2)C[C@@H]2C[C@@H](O)CN23)cc1 ZINC000514289827 560031472 /nfs/dbraw/zinc/03/14/72/560031472.db2.gz PBDREGGGGXFPCL-VQTJNVASSA-N 1 2 408.502 1.236 40 0 biogenic,in-vitro HDABLO Cn1cc[nH+]c1CN1CCOC[C@H]1c1nc(-c2ccc(S(C)(=O)=O)cc2)c[nH]1 ZINC000072321997 560076303 /nfs/dbraw/zinc/07/63/03/560076303.db2.gz WMDXSDDKEACTIK-KRWDZBQOSA-N 1 2 401.492 1.787 40 0 biogenic,in-vitro HDABLO O=C(Nc1cccc(F)c1)[C@H]1C=C([O-])NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+]1 ZINC000014606984 560846704 /nfs/dbraw/zinc/84/67/04/560846704.db2.gz SNVABVMJABROEU-LJQANCHMSA-N 1 2 409.465 1.827 40 0 HDABLO COCCn1nnnc1[C@H](CC(C)C)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019446866 560873042 /nfs/dbraw/zinc/87/30/42/560873042.db2.gz XTVKMROBMQGCLR-SFHVURJKSA-N 1 2 416.526 1.953 40 0 HDABLO CCn1cc(Br)c(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1 ZINC000022418916 560890976 /nfs/dbraw/zinc/89/09/76/560890976.db2.gz XPRKTSFZEXATMN-UHFFFAOYSA-N 1 2 409.332 1.974 40 0 HDABLO CC[C@@H](c1nnnn1CCOC)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057674939 568493792 /nfs/dbraw/zinc/49/37/92/568493792.db2.gz OPZSTKBUWAGAEN-IBGZPJMESA-N 1 2 414.510 1.805 40 0 HDABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057674939 568493793 /nfs/dbraw/zinc/49/37/93/568493793.db2.gz OPZSTKBUWAGAEN-IBGZPJMESA-N 1 2 414.510 1.805 40 0 HDABLO Cc1ccc(N([C@@H](C)C(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)cc1Cl ZINC000220366060 568505256 /nfs/dbraw/zinc/50/52/56/568505256.db2.gz KVWWBKQCTRRJHW-AWEZNQCLSA-N 1 2 403.932 1.251 40 0 HDABLO CS(=O)(=O)N(CCCC(=O)NCCCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000225260515 568626250 /nfs/dbraw/zinc/62/62/50/568626250.db2.gz XLZZWAQQPKVQSS-UHFFFAOYSA-N 1 2 400.451 1.914 40 0 HDABLO CN(c1ccc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1)S(C)(=O)=O ZINC000225677736 568663379 /nfs/dbraw/zinc/66/33/79/568663379.db2.gz KKDNQGJKSFEMME-UHFFFAOYSA-N 1 2 414.487 1.963 40 0 HDABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(N2CCCC2)cc(N2CCCCC2)n1 ZINC000225903040 568684771 /nfs/dbraw/zinc/68/47/71/568684771.db2.gz RXSDWDFPBIITBU-UHFFFAOYSA-N 1 2 419.599 1.686 40 0 HDABLO COCc1nnc(NC(=O)C[N@@H+]2CCC[C@](O)(COc3ccccc3)CC2)s1 ZINC000257242166 568788149 /nfs/dbraw/zinc/78/81/49/568788149.db2.gz IBJKAGIHVWKZJW-LJQANCHMSA-N 1 2 406.508 1.919 40 0 HDABLO COCc1nnc(NC(=O)C[N@H+]2CCC[C@](O)(COc3ccccc3)CC2)s1 ZINC000257242166 568788151 /nfs/dbraw/zinc/78/81/51/568788151.db2.gz IBJKAGIHVWKZJW-LJQANCHMSA-N 1 2 406.508 1.919 40 0 HDABLO CN(C(=O)c1cccc(Cc2ccccc2)n1)[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257305843 568806243 /nfs/dbraw/zinc/80/62/43/568806243.db2.gz SRUPBYJWQDGIMA-KCZVDYSFSA-N 1 2 408.502 1.068 40 0 HDABLO CN(C(=O)c1cccc(Cc2ccccc2)n1)[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257305843 568806246 /nfs/dbraw/zinc/80/62/46/568806246.db2.gz SRUPBYJWQDGIMA-KCZVDYSFSA-N 1 2 408.502 1.068 40 0 HDABLO Cn1c2ccc(NC(=O)C[N@@H+]3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)cc2n(C)c1=O ZINC000257312881 568807933 /nfs/dbraw/zinc/80/79/33/568807933.db2.gz UQAJNUZKOPLQLP-REWPJTCUSA-N 1 2 424.501 1.720 40 0 HDABLO Cn1c2ccc(NC(=O)C[N@H+]3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)cc2n(C)c1=O ZINC000257312881 568807934 /nfs/dbraw/zinc/80/79/34/568807934.db2.gz UQAJNUZKOPLQLP-REWPJTCUSA-N 1 2 424.501 1.720 40 0 HDABLO Cc1ccc2[nH]c(C(=O)[O-])c(C[N@@H+]3CCOC[C@]4(Cc5c(nc(N)[nH+]c5N)O4)C3)c2c1 ZINC000257319912 568810561 /nfs/dbraw/zinc/81/05/61/568810561.db2.gz VUORYPVYGKKBDY-NRFANRHFSA-N 1 2 424.461 1.335 40 0 HDABLO Cc1ccc2[nH]c(C(=O)[O-])c(C[N@H+]3CCOC[C@]4(Cc5c(nc(N)[nH+]c5N)O4)C3)c2c1 ZINC000257319912 568810564 /nfs/dbraw/zinc/81/05/64/568810564.db2.gz VUORYPVYGKKBDY-NRFANRHFSA-N 1 2 424.461 1.335 40 0 HDABLO Cn1c[nH+]c([C@@H]2CN(C(=O)c3ccn(C)n3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306131893 568894223 /nfs/dbraw/zinc/89/42/23/568894223.db2.gz KSFGFKZVVWDDRL-HTAPYJJXSA-N 1 2 419.489 1.207 40 0 HDABLO CCCS(=O)(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(CCOC)C2=O)C1 ZINC000306132991 568895058 /nfs/dbraw/zinc/89/50/58/568895058.db2.gz LYMAGILTPBDABV-APWZRJJASA-N 1 2 412.556 1.468 40 0 HDABLO CN(C)C(=O)N1CCC[C@H]1c1nc(C(=O)NCC[NH+]2CCOCC2)c2ccccn21 ZINC000306138662 568900535 /nfs/dbraw/zinc/90/05/35/568900535.db2.gz SDVHCEWRLBLSRL-KRWDZBQOSA-N 1 2 414.510 1.215 40 0 HDABLO COCCN1CC[C@]2(CN(C(=O)N3CCCC3)C[C@@H]2c2cn(C(C)C)c[nH+]2)C1=O ZINC000306142787 568904584 /nfs/dbraw/zinc/90/45/84/568904584.db2.gz XKBUASBGWYKRGA-DYESRHJHSA-N 1 2 403.527 1.944 40 0 HDABLO CC(C)n1c[nH+]c([C@@H]2CN(S(=O)(=O)N(C)C)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306144819 568906262 /nfs/dbraw/zinc/90/62/62/568906262.db2.gz ZPHYPYHDWCWKCT-QFBILLFUSA-N 1 2 409.556 1.298 40 0 HDABLO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1cccs1)[NH2+][C@]2(Cc1ccc(O)cc1)C(=O)OC ZINC000229994987 569287245 /nfs/dbraw/zinc/28/72/45/569287245.db2.gz OVMFQWRYXSAZGP-IAGYGMIVSA-N 1 2 414.483 1.874 40 0 HDABLO CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)[C@@H]3C1=O ZINC000248138910 569316408 /nfs/dbraw/zinc/31/64/08/569316408.db2.gz PNEAVYGCPZHBQC-MXBGAEMTSA-N 1 2 424.476 1.955 40 0 HDABLO Cc1nn2c(nccc2[C@@H]2CN(C(=O)C3CCCC3)CCO2)c1C[NH+]1CCOCC1 ZINC000019707765 569347932 /nfs/dbraw/zinc/34/79/32/569347932.db2.gz HEQFJMDMRCFIPR-FQEVSTJZSA-N 1 2 413.522 1.960 40 0 HDABLO Cc1nn2c(nccc2[C@@H]2CN(C(=O)c3ccccn3)CCO2)c1C[NH+]1CCOCC1 ZINC000019707744 569347982 /nfs/dbraw/zinc/34/79/82/569347982.db2.gz RWETXSAMNCFSCA-FQEVSTJZSA-N 1 2 422.489 1.479 40 0 HDABLO COc1ccc(Nc2nc(N[C@H]3CCS(=O)(=O)C3)[nH+]c(N3CCOCC3)n2)cc1 ZINC000032603935 524720499 /nfs/dbraw/zinc/72/04/99/524720499.db2.gz PATCOPZUJCFYQJ-AWEZNQCLSA-N 1 2 420.495 1.059 40 0 HDABLO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000408592125 557505264 /nfs/dbraw/zinc/50/52/64/557505264.db2.gz KEZDDYZLXKOPDW-QGZVFWFLSA-N 1 2 420.535 1.807 40 0 HDABLO CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408607862 557520857 /nfs/dbraw/zinc/52/08/57/557520857.db2.gz QRSCMFMDRMUHOR-INIZCTEOSA-N 1 2 408.524 1.791 40 0 HDABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)C2CCCCC2)cc1 ZINC000408621686 557547823 /nfs/dbraw/zinc/54/78/23/557547823.db2.gz PENQGQBRPMOILC-UHFFFAOYSA-N 1 2 423.579 1.767 40 0 HDABLO COc1ccc([C@H]2NC3=[NH+]CN(CCCO)CN3c3nc4ccccc4n32)c(OC)c1 ZINC000019960422 558315508 /nfs/dbraw/zinc/31/55/08/558315508.db2.gz OSOINOLTGBCIBM-FQEVSTJZSA-N 1 2 422.489 1.979 40 0 HDABLO CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCC4)nc(N)c32)cc1 ZINC000019974096 558317043 /nfs/dbraw/zinc/31/70/43/558317043.db2.gz MJMJMYUFKYNEIY-AWEZNQCLSA-N 1 2 409.450 1.682 40 0 HDABLO O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020174394 558343532 /nfs/dbraw/zinc/34/35/32/558343532.db2.gz WTFOCZLHEMANKJ-UHFFFAOYSA-N 1 2 413.499 1.847 40 0 HDABLO c1ccc2c(c1)nc1n2[C@@H](c2cccnc2)NC2=NCN(CC[NH+]3CCOCC3)CN12 ZINC000020638630 558396881 /nfs/dbraw/zinc/39/68/81/558396881.db2.gz MKLCWWYEHCCZKM-FQEVSTJZSA-N 1 2 418.505 1.307 40 0 HDABLO CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2[nH+]c(N3CCOCC3)nc(N)c21 ZINC000020674134 558399015 /nfs/dbraw/zinc/39/90/15/558399015.db2.gz BSAQNIFWFXWTGY-LBPRGKRZSA-N 1 2 412.450 1.359 40 0 HDABLO COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCCCn2cc[nH+]c2)c1 ZINC000022230269 558469013 /nfs/dbraw/zinc/46/90/13/558469013.db2.gz LIZSJRDYBNSNEO-KRWDZBQOSA-N 1 2 406.508 1.560 40 0 HDABLO CN(C)S(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000030757279 558737565 /nfs/dbraw/zinc/73/75/65/558737565.db2.gz DHMLJMZMVDBKAH-UHFFFAOYSA-N 1 2 413.503 1.802 40 0 HDABLO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCCn2cc[nH+]c2)cc1C ZINC000016678164 558799091 /nfs/dbraw/zinc/79/90/91/558799091.db2.gz TYZUYOXGIPNHAP-UHFFFAOYSA-N 1 2 408.524 1.807 40 0 HDABLO Cn1c2ccc(S(=O)(=O)NCc3ccccc3C[NH+]3CCOCC3)cc2oc1=O ZINC000019289853 558862358 /nfs/dbraw/zinc/86/23/58/558862358.db2.gz MWEOQPDUIWOYBO-UHFFFAOYSA-N 1 2 417.487 1.442 40 0 HDABLO O=C(CCC[NH+]1CCOCC1)N1CCC[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000019375630 558881711 /nfs/dbraw/zinc/88/17/11/558881711.db2.gz FMTKXELQHCEPGY-MRXNPFEDSA-N 1 2 420.535 1.360 40 0 HDABLO COCCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)CC1 ZINC000019448147 558887176 /nfs/dbraw/zinc/88/71/76/558887176.db2.gz WIYREMXYAPNAHZ-UHFFFAOYSA-N 1 2 401.511 1.944 40 0 HDABLO COCCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)CC1 ZINC000019448147 558887177 /nfs/dbraw/zinc/88/71/77/558887177.db2.gz WIYREMXYAPNAHZ-UHFFFAOYSA-N 1 2 401.511 1.944 40 0 HDABLO COc1cc2nc3n(c(=O)c2cc1OC)CCN(C(=O)CCCn1cc[nH+]c1)CC3 ZINC000019550815 558915385 /nfs/dbraw/zinc/91/53/85/558915385.db2.gz CXRBHYJGZNKRPK-UHFFFAOYSA-N 1 2 411.462 1.475 40 0 HDABLO CS(=O)(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ncccn4)CC3)ccc21 ZINC000019572511 558930676 /nfs/dbraw/zinc/93/06/76/558930676.db2.gz UXEBXWOCOCMBOQ-LJQANCHMSA-N 1 2 417.535 1.044 40 0 HDABLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1 ZINC000072346912 558943550 /nfs/dbraw/zinc/94/35/50/558943550.db2.gz DWZOXCDRWABTSY-UHFFFAOYSA-N 1 2 422.489 1.104 40 0 HDABLO Cc1ncc(C(=O)N2CCC[C@H]2c2ccc(C(=O)N3CC[NH+](C)CC3)cn2)c(C)n1 ZINC000019708195 558970417 /nfs/dbraw/zinc/97/04/17/558970417.db2.gz SQXNLSDOKGUBDX-FQEVSTJZSA-N 1 2 408.506 1.853 40 0 HDABLO CC(C)n1cc(CN2CCC[C@@]3(CC(C(=O)NCCCn4cc[nH+]c4)=NO3)C2)cn1 ZINC000585101341 559024725 /nfs/dbraw/zinc/02/47/25/559024725.db2.gz ZFGUJFUKNRKDGL-OAQYLSRUSA-N 1 2 413.526 1.978 40 0 HDABLO Cc1nc(C)c(CN2CCO[C@@]3(CO[C@H](C(=O)NCCCn4cc[nH+]c4)C3)C2)s1 ZINC000585102288 559026063 /nfs/dbraw/zinc/02/60/63/559026063.db2.gz WDXQUHNZIWISKH-FXAWDEMLSA-N 1 2 419.551 1.523 40 0 HDABLO C[N@@H+]1CCO[C@H](CNC(=O)c2nc3c(o2)CCN(C(=O)c2ccccc2F)C3)C1 ZINC000585112330 559030849 /nfs/dbraw/zinc/03/08/49/559030849.db2.gz ORVCRUVBCLEXAQ-CYBMUJFWSA-N 1 2 402.426 1.073 40 0 HDABLO C[N@H+]1CCO[C@H](CNC(=O)c2nc3c(o2)CCN(C(=O)c2ccccc2F)C3)C1 ZINC000585112330 559030850 /nfs/dbraw/zinc/03/08/50/559030850.db2.gz ORVCRUVBCLEXAQ-CYBMUJFWSA-N 1 2 402.426 1.073 40 0 HDABLO NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC000585286879 559122009 /nfs/dbraw/zinc/12/20/09/559122009.db2.gz RYTMCDQAEYQXQC-FQEVSTJZSA-N 1 2 420.897 1.869 40 0 HDABLO NC(=O)C[C@]1(COc2ccc(Cl)cc2)CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC000585286883 559122045 /nfs/dbraw/zinc/12/20/45/559122045.db2.gz RYTMCDQAEYQXQC-HXUWFJFHSA-N 1 2 420.897 1.869 40 0 HDABLO O=C(CNS(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000409087327 560674880 /nfs/dbraw/zinc/67/48/80/560674880.db2.gz YICINVDWQVPKTC-UHFFFAOYSA-N 1 2 417.487 1.038 40 0 HDABLO CCOc1ccc(N([C@@H](CC)C(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)cc1 ZINC000220675094 568508364 /nfs/dbraw/zinc/50/83/64/568508364.db2.gz CYNPIRASSKBHON-SFHVURJKSA-N 1 2 413.540 1.078 40 0 HDABLO O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CC[NH+](Cc2c[nH]c(=O)[nH]c2=O)CC1 ZINC000223809484 568559606 /nfs/dbraw/zinc/55/96/06/568559606.db2.gz UOTKHGVTDQASER-UHFFFAOYSA-N 1 2 415.837 1.330 40 0 HDABLO CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)s1 ZINC000224580871 568586118 /nfs/dbraw/zinc/58/61/18/568586118.db2.gz QEJLYNNWRMXFSG-UHFFFAOYSA-N 1 2 413.550 1.448 40 0 HDABLO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000257203057 568777021 /nfs/dbraw/zinc/77/70/21/568777021.db2.gz AOMRJQUINBYRPI-CGXNFDGLSA-N 1 2 418.440 1.976 40 0 HDABLO CN(C(=O)CCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257280794 568798827 /nfs/dbraw/zinc/79/88/27/568798827.db2.gz OMLRHHJONVLVAS-JFIYKMOQSA-N 1 2 417.510 1.441 40 0 HDABLO Cn1c[nH+]c([C@H]2CN(C(=O)Cc3ccco3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306127072 568890008 /nfs/dbraw/zinc/89/00/08/568890008.db2.gz FNYORWHKVPNNKW-XXBNENTESA-N 1 2 419.485 1.996 40 0 HDABLO CCNC(=O)N[C@H]1CCCC[C@@]12C[N@H+](Cc1ccnc(N3CCOCC3)c1)CCO2 ZINC000306129539 568892121 /nfs/dbraw/zinc/89/21/21/568892121.db2.gz IGNKNYGXORJREN-SIKLNZKXSA-N 1 2 417.554 1.751 40 0 HDABLO CCNC(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1ccnc(N3CCOCC3)c1)CCO2 ZINC000306129539 568892122 /nfs/dbraw/zinc/89/21/22/568892122.db2.gz IGNKNYGXORJREN-SIKLNZKXSA-N 1 2 417.554 1.751 40 0 HDABLO Nc1ncc(C[N@@H+]2CCO[C@]3(CCCC[C@H]3NC(=O)Cc3cccs3)C2)cn1 ZINC000306138976 568900960 /nfs/dbraw/zinc/90/09/60/568900960.db2.gz SMCSSZOKYQWBHI-YLJYHZDGSA-N 1 2 401.536 1.993 40 0 HDABLO Nc1ncc(C[N@H+]2CCO[C@]3(CCCC[C@H]3NC(=O)Cc3cccs3)C2)cn1 ZINC000306138976 568900961 /nfs/dbraw/zinc/90/09/61/568900961.db2.gz SMCSSZOKYQWBHI-YLJYHZDGSA-N 1 2 401.536 1.993 40 0 HDABLO COCCN1CC[C@]2(CN(C(=O)c3ccn(C)n3)C[C@H]2c2cn(C(C)C)c[nH+]2)C1=O ZINC000306143869 568905102 /nfs/dbraw/zinc/90/51/02/568905102.db2.gz YOVQVINSDROZBO-HRAATJIYSA-N 1 2 414.510 1.302 40 0 HDABLO COCCN1CC[C@@]2(CN(C(=O)c3ccn(C)n3)C[C@@H]2c2cn(C(C)C)c[nH+]2)C1=O ZINC000306143870 568905244 /nfs/dbraw/zinc/90/52/44/568905244.db2.gz YOVQVINSDROZBO-IERDGZPVSA-N 1 2 414.510 1.302 40 0 HDABLO C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N2CC[NH+](C)CC2)n1C ZINC000166334252 569355361 /nfs/dbraw/zinc/35/53/61/569355361.db2.gz XYDWATNILCOCBG-AWEZNQCLSA-N 1 2 402.524 1.172 40 0 HDABLO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CC[N@@H+]3C(C)C)N2C)cc1 ZINC000035442418 291196510 /nfs/dbraw/zinc/19/65/10/291196510.db2.gz QBTJUOYHJSLNLF-DSKINZAPSA-N 1 2 402.539 1.373 40 0 biogenic,in-vitro HDABLO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CC[N@H+]3C(C)C)N2C)cc1 ZINC000035442418 291196511 /nfs/dbraw/zinc/19/65/11/291196511.db2.gz QBTJUOYHJSLNLF-DSKINZAPSA-N 1 2 402.539 1.373 40 0 biogenic,in-vitro HDABLO COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](Cc4ccccc4)C3)C2=O)cc1 ZINC000225383597 291196517 /nfs/dbraw/zinc/19/65/17/291196517.db2.gz RZJLVVNUPUDVBA-CTNGQTDRSA-N 1 2 421.497 1.254 40 0 biogenic,in-vitro HDABLO O=C(NCc1ccccc1)N1CCC(O)(c2csc(C[N@H+]3CC[C@@H](O)C3)n2)CC1 ZINC000225465614 291200136 /nfs/dbraw/zinc/20/01/36/291200136.db2.gz GCRYPGGHWGKWKX-QGZVFWFLSA-N 1 2 416.547 1.903 40 0 biogenic,in-vitro HDABLO O=C(NCc1ccccc1)N1CCC(O)(c2csc(C[N@@H+]3CC[C@@H](O)C3)n2)CC1 ZINC000225465614 291200137 /nfs/dbraw/zinc/20/01/37/291200137.db2.gz GCRYPGGHWGKWKX-QGZVFWFLSA-N 1 2 416.547 1.903 40 0 biogenic,in-vitro HDABLO CCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019940468 519902887 /nfs/dbraw/zinc/90/28/87/519902887.db2.gz NJWBTGMOPORAII-UHFFFAOYSA-N 1 2 418.519 1.285 40 0 HDABLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1)C1CC1 ZINC000019749265 558268387 /nfs/dbraw/zinc/26/83/87/558268387.db2.gz DFIDOFPSULAXKK-HXUWFJFHSA-N 1 2 411.506 1.912 40 0 HDABLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccn(CC(=O)NC2CCCCC2)c1=O)C1CC1 ZINC000019750040 558270149 /nfs/dbraw/zinc/27/01/49/558270149.db2.gz NYILLYFXUUZNNR-LJQANCHMSA-N 1 2 411.506 1.912 40 0 HDABLO Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)cc1Cl ZINC000020635769 558395964 /nfs/dbraw/zinc/39/59/64/558395964.db2.gz CCQXUANWGYQANT-GFCCVEGCSA-N 1 2 416.869 1.922 40 0 HDABLO COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000020836739 558417010 /nfs/dbraw/zinc/41/70/10/558417010.db2.gz RORICGHRUUJNKJ-UHFFFAOYSA-N 1 2 417.487 1.662 40 0 HDABLO O[C@H]1c2cc(Br)ccc2OC[C@]1(C[NH+]1CCOCC1)N1CCOCC1 ZINC000022859990 558517631 /nfs/dbraw/zinc/51/76/31/558517631.db2.gz JLFKVUBNGKUVHH-ROUUACIJSA-N 1 2 413.312 1.278 40 0 HDABLO Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000022873951 558518386 /nfs/dbraw/zinc/51/83/86/558518386.db2.gz UNOHOINNSRVBQT-AWEZNQCLSA-N 1 2 403.932 1.251 40 0 HDABLO COc1ccc([C@H](c2c(N)n(CC(C)C)c(=O)n(C)c2=O)[NH+]2CCOCC2)cc1 ZINC000016739845 558803094 /nfs/dbraw/zinc/80/30/94/558803094.db2.gz BDTCICCVUNNZOW-GOSISDBHSA-N 1 2 402.495 1.215 40 0 HDABLO CC(=O)N1CCC(N(CC[NH+]2CCOCC2)C(=O)c2cn3ccc(C)cc3n2)CC1 ZINC000019238158 558857177 /nfs/dbraw/zinc/85/71/77/558857177.db2.gz UFXOGOZTKFZPDK-UHFFFAOYSA-N 1 2 413.522 1.428 40 0 HDABLO Cc1csc2c([C@H]3CCCN(S(=O)(=O)[C@@H]4CCS(=O)(=O)C4)C3)[nH+]c(C)n12 ZINC000019240470 558859086 /nfs/dbraw/zinc/85/90/86/558859086.db2.gz APSQMUISCWFQLH-UONOGXRCSA-N 1 2 417.578 1.709 40 0 HDABLO CCS(=O)(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)C1 ZINC000019520306 558901274 /nfs/dbraw/zinc/90/12/74/558901274.db2.gz QFKWEVPUPMAWFD-AWEZNQCLSA-N 1 2 407.540 1.731 40 0 HDABLO CCS(=O)(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)C1 ZINC000019520306 558901276 /nfs/dbraw/zinc/90/12/76/558901276.db2.gz QFKWEVPUPMAWFD-AWEZNQCLSA-N 1 2 407.540 1.731 40 0 HDABLO CCc1[nH+]ccn1CC(=O)N1CCC[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000019523494 558904698 /nfs/dbraw/zinc/90/46/98/558904698.db2.gz YGZHGKDCEMGFQH-AWEZNQCLSA-N 1 2 401.492 1.706 40 0 HDABLO COc1ccccc1N1C[C@@H](c2cc(=O)[nH]c(NCC[NH+]3CCOCC3)n2)CC1=O ZINC000019571085 558929705 /nfs/dbraw/zinc/92/97/05/558929705.db2.gz JXHWGFXDCGZZDW-HNNXBMFYSA-N 1 2 413.478 1.043 40 0 HDABLO CS(=O)(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4cnccn4)CC3)ccc21 ZINC000019572503 558930600 /nfs/dbraw/zinc/93/06/00/558930600.db2.gz XJTZHQYHVQYXOT-IBGZPJMESA-N 1 2 417.535 1.044 40 0 HDABLO C[NH+]1CCN(C(=O)[C@@H]2[C@H](C(=O)NC(C)(C)C)[C@]2(C)C(=O)c2ccccc2N)CC1 ZINC000019575359 558932531 /nfs/dbraw/zinc/93/25/31/558932531.db2.gz KPPRFSMLAPNMGX-JLHGSKIFSA-N 1 2 400.523 1.393 40 0 HDABLO C[C@@H](CC(=O)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1)n1cc[nH+]c1 ZINC000072338858 558938357 /nfs/dbraw/zinc/93/83/57/558938357.db2.gz JUWBCGNYRPFIRT-IFXJQAMLSA-N 1 2 403.508 1.803 40 0 HDABLO COc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)Nc1[nH]nc2nc(C)ccc21 ZINC000019661268 558952283 /nfs/dbraw/zinc/95/22/83/558952283.db2.gz DIIAAGRUPIXPOL-MRXNPFEDSA-N 1 2 408.462 1.604 40 0 HDABLO COc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)Nc1[nH]nc2nc(C)ccc21 ZINC000019661268 558952285 /nfs/dbraw/zinc/95/22/85/558952285.db2.gz DIIAAGRUPIXPOL-MRXNPFEDSA-N 1 2 408.462 1.604 40 0 HDABLO COc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)Nc1[nH]nc2nc(C)ccc21 ZINC000019661266 558952291 /nfs/dbraw/zinc/95/22/91/558952291.db2.gz DIIAAGRUPIXPOL-INIZCTEOSA-N 1 2 408.462 1.604 40 0 HDABLO COc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)Nc1[nH]nc2nc(C)ccc21 ZINC000019661266 558952293 /nfs/dbraw/zinc/95/22/93/558952293.db2.gz DIIAAGRUPIXPOL-INIZCTEOSA-N 1 2 408.462 1.604 40 0 HDABLO COc1ccc(C(=O)N2CCC[C@H]2c2ccc(C(=O)N3CC[NH+](C)CC3)cn2)cn1 ZINC000019708761 558971242 /nfs/dbraw/zinc/97/12/42/558971242.db2.gz BNTAAJFKNNSKNP-IBGZPJMESA-N 1 2 409.490 1.850 40 0 HDABLO COc1ccc(CN2CCc3oc(C(=O)NC[C@H]4C[N@H+](C)CCO4)nc3C2)c(F)c1 ZINC000585111855 559030697 /nfs/dbraw/zinc/03/06/97/559030697.db2.gz HRFFGBZIYGXGHS-INIZCTEOSA-N 1 2 418.469 1.441 40 0 HDABLO COc1ccc(CN2CCc3oc(C(=O)NC[C@H]4C[N@@H+](C)CCO4)nc3C2)c(F)c1 ZINC000585111855 559030699 /nfs/dbraw/zinc/03/06/99/559030699.db2.gz HRFFGBZIYGXGHS-INIZCTEOSA-N 1 2 418.469 1.441 40 0 HDABLO Cn1c2cc(C(=O)NCC[NH+]3CCOCC3)n(-c3ncccn3)c2c2ccccc21 ZINC000096146323 559097756 /nfs/dbraw/zinc/09/77/56/559097756.db2.gz XRFUPHLALMWOJP-UHFFFAOYSA-N 1 2 404.474 1.974 40 0 HDABLO Cn1cc(C[N@@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5cccc(Cl)c5)S4(=O)=O)(C2)O3)cn1 ZINC000096264009 559107413 /nfs/dbraw/zinc/10/74/13/559107413.db2.gz MQVHACNOIPXDCC-QYZOEREBSA-N 1 2 422.938 1.631 40 0 HDABLO Cn1cc(C[N@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5cccc(Cl)c5)S4(=O)=O)(C2)O3)cn1 ZINC000096264009 559107415 /nfs/dbraw/zinc/10/74/15/559107415.db2.gz MQVHACNOIPXDCC-QYZOEREBSA-N 1 2 422.938 1.631 40 0 HDABLO CN1CC[NH+](C[C@@H]2OC[C@H](NC(=O)Nc3cccc(C(F)(F)F)c3)[C@H]2O)CC1 ZINC000514289557 560032477 /nfs/dbraw/zinc/03/24/77/560032477.db2.gz UYMAYWCWURKEEV-HRCADAONSA-N 1 2 402.417 1.203 40 0 biogenic,in-vitro HDABLO CC(C)CC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3[nH+]ccn3C)[C@@H]2CO)cc1 ZINC000072321493 560076501 /nfs/dbraw/zinc/07/65/01/560076501.db2.gz JQEUIZLSUOJUFN-DYESRHJHSA-N 1 2 400.479 1.866 40 0 biogenic,in-vitro HDABLO COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000170551436 560767255 /nfs/dbraw/zinc/76/72/55/560767255.db2.gz YJNYQRKCUHMNSP-UHFFFAOYSA-N 1 2 419.503 1.892 40 0 HDABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2=O)C1 ZINC000014607430 560847024 /nfs/dbraw/zinc/84/70/24/560847024.db2.gz WNCNBJCXNFPBIT-UKRRQHHQSA-N 1 2 420.462 1.619 40 0 HDABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2=O)C1 ZINC000014607430 560847026 /nfs/dbraw/zinc/84/70/26/560847026.db2.gz WNCNBJCXNFPBIT-UKRRQHHQSA-N 1 2 420.462 1.619 40 0 HDABLO Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](CC(C)C)N2CC[NH+](C)CC2)cc1 ZINC000019211187 560872056 /nfs/dbraw/zinc/87/20/56/560872056.db2.gz CNGCHJRGTIZQDV-GOSISDBHSA-N 1 2 406.556 1.748 40 0 HDABLO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000025767304 568535273 /nfs/dbraw/zinc/53/52/73/568535273.db2.gz UQYDROAALDNSID-CLOLKSBNSA-N 1 2 405.564 1.906 40 0 HDABLO COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223134293 568538972 /nfs/dbraw/zinc/53/89/72/568538972.db2.gz QZHRILMNJJSWAE-UXHICEINSA-N 1 2 415.563 1.834 40 0 HDABLO CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000224749074 568594934 /nfs/dbraw/zinc/59/49/34/568594934.db2.gz MAYFDKZADOQEOB-UHFFFAOYSA-N 1 2 423.564 1.859 40 0 HDABLO CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)s1 ZINC000224749074 568594936 /nfs/dbraw/zinc/59/49/36/568594936.db2.gz MAYFDKZADOQEOB-UHFFFAOYSA-N 1 2 423.564 1.859 40 0 HDABLO C[NH+]1CCC(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)CC1 ZINC000225107197 568615003 /nfs/dbraw/zinc/61/50/03/568615003.db2.gz QWQXLQREZDSYSM-UHFFFAOYSA-N 1 2 415.928 1.816 40 0 HDABLO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCC[NH+]3CCOCC3)C2)c1 ZINC000260828241 568740457 /nfs/dbraw/zinc/74/04/57/568740457.db2.gz NCMSRMVPUXFAJP-SFHVURJKSA-N 1 2 409.552 1.153 40 0 HDABLO CNc1nc([C@@H]2CCN(S(=O)(=O)CCc3ccccc3)C2)nc2c1C[N@H+](C)CC2 ZINC000257218906 568781614 /nfs/dbraw/zinc/78/16/14/568781614.db2.gz DEUXWIUJJMSZPF-QGZVFWFLSA-N 1 2 415.563 1.868 40 0 HDABLO CNc1nc([C@@H]2CCN(S(=O)(=O)CCc3ccccc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257218906 568781616 /nfs/dbraw/zinc/78/16/16/568781616.db2.gz DEUXWIUJJMSZPF-QGZVFWFLSA-N 1 2 415.563 1.868 40 0 HDABLO O=C(c1ccc(-c2ccc(F)cc2)o1)N1CC[C@@H](O)[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257226358 568783959 /nfs/dbraw/zinc/78/39/59/568783959.db2.gz FKILRDZFQORXML-HLIPFELVSA-N 1 2 404.438 1.354 40 0 HDABLO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CC[N@H+](Cc3nccs3)C1)C2 ZINC000306129064 568891668 /nfs/dbraw/zinc/89/16/68/568891668.db2.gz HTJQRFKZEZUCMK-HXUWFJFHSA-N 1 2 417.535 1.617 40 0 HDABLO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CC[N@@H+](Cc3nccs3)C1)C2 ZINC000306129064 568891669 /nfs/dbraw/zinc/89/16/69/568891669.db2.gz HTJQRFKZEZUCMK-HXUWFJFHSA-N 1 2 417.535 1.617 40 0 HDABLO CCCS(=O)(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(CCOC)C2=O)C1 ZINC000306132992 568895181 /nfs/dbraw/zinc/89/51/81/568895181.db2.gz LYMAGILTPBDABV-LPHOPBHVSA-N 1 2 412.556 1.468 40 0 HDABLO COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCCc3c[nH+]c[nH]3)CC2)cc1 ZINC000101507417 569014036 /nfs/dbraw/zinc/01/40/36/569014036.db2.gz IOGNWZBOJUYTKV-IYBDPMFKSA-N 1 2 420.535 1.862 40 0 HDABLO COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCCc3c[nH]c[nH+]3)CC2)cc1 ZINC000101507417 569014037 /nfs/dbraw/zinc/01/40/37/569014037.db2.gz IOGNWZBOJUYTKV-IYBDPMFKSA-N 1 2 420.535 1.862 40 0 HDABLO CCN1C(=O)[C@@H]2[C@H](c3cccs3)[NH2+][C@@](Cc3ccc(O)cc3)(C(=O)OC)[C@H]2C1=O ZINC000245230300 569313935 /nfs/dbraw/zinc/31/39/35/569313935.db2.gz OVMFQWRYXSAZGP-GRXQJBFDSA-N 1 2 414.483 1.874 40 0 HDABLO CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)[C@H]3C1=O ZINC000248138911 569316379 /nfs/dbraw/zinc/31/63/79/569316379.db2.gz PNEAVYGCPZHBQC-YGDRQDSZSA-N 1 2 424.476 1.955 40 0 HDABLO C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N2CC[NH+](C)CC2)n1C ZINC000166334380 569355349 /nfs/dbraw/zinc/35/53/49/569355349.db2.gz XYDWATNILCOCBG-CQSZACIVSA-N 1 2 402.524 1.172 40 0 HDABLO COc1ccccc1C[NH+]1CC2(C1)C(=O)N(Cc1ccccc1)C(=O)[C@@H]1C[C@@H](O)CN12 ZINC000225386289 291197324 /nfs/dbraw/zinc/19/73/24/291197324.db2.gz PZGFTULLNKRIKJ-UXHICEINSA-N 1 2 421.497 1.254 40 0 biogenic,in-vitro HDABLO COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2[nH+]c(N3CCOCC3)nc(N)c21 ZINC000020800052 523836866 /nfs/dbraw/zinc/83/68/66/523836866.db2.gz DKHPMMMZZSIYGN-GFCCVEGCSA-N 1 2 412.450 1.277 40 0 HDABLO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCn3cc[nH+]c3)C2)cc1C ZINC000408590523 557501426 /nfs/dbraw/zinc/50/14/26/557501426.db2.gz HRNPTFORUFQETN-QGZVFWFLSA-N 1 2 420.535 1.807 40 0 HDABLO O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCC[NH+]1CCOCC1 ZINC000408614491 557538502 /nfs/dbraw/zinc/53/85/02/557538502.db2.gz CVOPAUMEDHVTMZ-UHFFFAOYSA-N 1 2 421.494 1.469 40 0 HDABLO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(N)=O)[N@H+]2C=Cc4ccccc4[C@@H]32)c1 ZINC000036498759 557849106 /nfs/dbraw/zinc/84/91/06/557849106.db2.gz KWNKGIMQBJAHEY-ZRNYENFQSA-N 1 2 419.437 1.705 40 0 HDABLO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(N)=O)[N@@H+]2C=Cc4ccccc4[C@@H]32)c1 ZINC000036498759 557849107 /nfs/dbraw/zinc/84/91/07/557849107.db2.gz KWNKGIMQBJAHEY-ZRNYENFQSA-N 1 2 419.437 1.705 40 0 HDABLO Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCC[NH+]1CCOCC1 ZINC000013683581 558568177 /nfs/dbraw/zinc/56/81/77/558568177.db2.gz KCJWMWUGDTUSDY-UHFFFAOYSA-N 1 2 403.504 1.858 40 0 HDABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)CC1 ZINC000016018679 558767418 /nfs/dbraw/zinc/76/74/18/558767418.db2.gz NVDXXAQAMRYRNC-UHFFFAOYSA-N 1 2 403.460 1.604 40 0 HDABLO O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCCn1cc[nH+]c1 ZINC000016428876 558791027 /nfs/dbraw/zinc/79/10/27/558791027.db2.gz IHVBWOYFJKRGMS-UHFFFAOYSA-N 1 2 406.508 1.643 40 0 HDABLO Cn1ccnc1-c1cc2nc3c(c(NC[C@H](O)C[NH+]4CCOCC4)n2n1)CCCC3 ZINC000019291788 558864318 /nfs/dbraw/zinc/86/43/18/558864318.db2.gz GHHWFHNBWJRPAU-HNNXBMFYSA-N 1 2 411.510 1.114 40 0 HDABLO O=C(C[NH+]1CCC(O)(Cn2cnc3ccccc3c2=O)CC1)OCc1ccccc1 ZINC000019372699 558879774 /nfs/dbraw/zinc/87/97/74/558879774.db2.gz MKLVCPPKGVCQSG-UHFFFAOYSA-N 1 2 407.470 1.967 40 0 HDABLO CCn1cc(C[NH+]2CCN(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)CC2)c(C)n1 ZINC000019524570 558905763 /nfs/dbraw/zinc/90/57/63/558905763.db2.gz ULUHHRBFHXERBP-UHFFFAOYSA-N 1 2 416.526 1.110 40 0 HDABLO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@H](O)c3ccc4c(c3)CCO4)CC2)cc1 ZINC000019557083 558919432 /nfs/dbraw/zinc/91/94/32/558919432.db2.gz WDQQSCWCBBTXQI-FQEVSTJZSA-N 1 2 418.515 1.670 40 0 HDABLO COc1ccc(OC)c(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)c1 ZINC000072347260 558943867 /nfs/dbraw/zinc/94/38/67/558943867.db2.gz SCOGHUZTZNZGLT-GASCZTMLSA-N 1 2 414.506 1.959 40 0 HDABLO COc1ccc(OC)c(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)c1 ZINC000072347260 558943869 /nfs/dbraw/zinc/94/38/69/558943869.db2.gz SCOGHUZTZNZGLT-GASCZTMLSA-N 1 2 414.506 1.959 40 0 HDABLO CC(C)n1cc(CN2CCC[C@]3(CC(C(=O)NCCCn4cc[nH+]c4)=NO3)C2)cn1 ZINC000585101340 559024713 /nfs/dbraw/zinc/02/47/13/559024713.db2.gz ZFGUJFUKNRKDGL-NRFANRHFSA-N 1 2 413.526 1.978 40 0 HDABLO COc1ncc(C[N@@H+]2CCO[C@@]3(CO[C@H](C(=O)NCc4ccon4)C3)C2)cc1C ZINC000585102176 559025381 /nfs/dbraw/zinc/02/53/81/559025381.db2.gz JCHZKKPEXLTCIL-FXAWDEMLSA-N 1 2 402.451 1.063 40 0 HDABLO COc1ncc(C[N@H+]2CCO[C@@]3(CO[C@H](C(=O)NCc4ccon4)C3)C2)cc1C ZINC000585102176 559025382 /nfs/dbraw/zinc/02/53/82/559025382.db2.gz JCHZKKPEXLTCIL-FXAWDEMLSA-N 1 2 402.451 1.063 40 0 HDABLO Cc1nc(C)c(CN2CCO[C@]3(CO[C@H](C(=O)NCCCn4cc[nH+]c4)C3)C2)s1 ZINC000585102289 559026012 /nfs/dbraw/zinc/02/60/12/559026012.db2.gz WDXQUHNZIWISKH-PXNSSMCTSA-N 1 2 419.551 1.523 40 0 HDABLO CCOC(=O)[C@@H]1CN(c2ncccn2)C[C@H]2CN(C(=O)c3ccccc3C)CC[N@@H+]2C1 ZINC000585108182 559030041 /nfs/dbraw/zinc/03/00/41/559030041.db2.gz NBXLKEDMGWZQFE-RBUKOAKNSA-N 1 2 423.517 1.611 40 0 HDABLO CCOC(=O)[C@@H]1CN(c2ncccn2)C[C@H]2CN(C(=O)c3ccccc3C)CC[N@H+]2C1 ZINC000585108182 559030042 /nfs/dbraw/zinc/03/00/42/559030042.db2.gz NBXLKEDMGWZQFE-RBUKOAKNSA-N 1 2 423.517 1.611 40 0 HDABLO Cn1cc(C(=O)NCc2cc(=O)n3c(n2)C[N@@H+](Cc2ccc(F)cc2)CCC3)cn1 ZINC000096059660 559094167 /nfs/dbraw/zinc/09/41/67/559094167.db2.gz XWURPHTWBZJPAO-UHFFFAOYSA-N 1 2 410.453 1.452 40 0 HDABLO Cn1cc(C(=O)NCc2cc(=O)n3c(n2)C[N@H+](Cc2ccc(F)cc2)CCC3)cn1 ZINC000096059660 559094169 /nfs/dbraw/zinc/09/41/69/559094169.db2.gz XWURPHTWBZJPAO-UHFFFAOYSA-N 1 2 410.453 1.452 40 0 HDABLO CCOC(=O)C[NH+]1CCC2(CC1)O[C@@H](C(=O)Nc1cccnc1C)Cn1ccnc12 ZINC000096243887 559105003 /nfs/dbraw/zinc/10/50/03/559105003.db2.gz DVGWJJZWCGHMDV-QGZVFWFLSA-N 1 2 413.478 1.478 40 0 HDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)c1ccc(F)c(F)c1)CC2 ZINC000096254909 559105859 /nfs/dbraw/zinc/10/58/59/559105859.db2.gz CYQNVSCVCGXHMO-UHFFFAOYSA-N 1 2 417.460 1.898 40 0 HDABLO O=C(c1cccc(O)c1)N1CC2(C1)C[N@H+](CC1CC1)[C@H](C(=O)N1CCCCO1)CO2 ZINC000575406660 560547558 /nfs/dbraw/zinc/54/75/58/560547558.db2.gz ZPKVFEUSGMZUTG-IBGZPJMESA-N 1 2 415.490 1.252 40 0 HDABLO O=C(c1cccc(O)c1)N1CC2(C1)C[N@@H+](CC1CC1)[C@H](C(=O)N1CCCCO1)CO2 ZINC000575406660 560547560 /nfs/dbraw/zinc/54/75/60/560547560.db2.gz ZPKVFEUSGMZUTG-IBGZPJMESA-N 1 2 415.490 1.252 40 0 HDABLO O=C(c1cccc(O)c1)N1CC2(C1)C[N@H+](CC1CC1)[C@@H](C(=O)N1CCCCO1)CO2 ZINC000575406663 560547570 /nfs/dbraw/zinc/54/75/70/560547570.db2.gz ZPKVFEUSGMZUTG-LJQANCHMSA-N 1 2 415.490 1.252 40 0 HDABLO O=C(c1cccc(O)c1)N1CC2(C1)C[N@@H+](CC1CC1)[C@@H](C(=O)N1CCCCO1)CO2 ZINC000575406663 560547572 /nfs/dbraw/zinc/54/75/72/560547572.db2.gz ZPKVFEUSGMZUTG-LJQANCHMSA-N 1 2 415.490 1.252 40 0 HDABLO Cc1ccc(N([C@H](C)C(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)cc1Cl ZINC000220366129 568505262 /nfs/dbraw/zinc/50/52/62/568505262.db2.gz KVWWBKQCTRRJHW-CQSZACIVSA-N 1 2 403.932 1.251 40 0 HDABLO Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCCn2cc[nH+]c2)s1 ZINC000223630529 568554111 /nfs/dbraw/zinc/55/41/11/568554111.db2.gz YVPYVKAXKDZJGU-UHFFFAOYSA-N 1 2 406.493 1.664 40 0 HDABLO CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)s1 ZINC000225656261 568660714 /nfs/dbraw/zinc/66/07/14/568660714.db2.gz XYTBIXQRWKXMGX-UHFFFAOYSA-N 1 2 406.493 1.859 40 0 HDABLO O=C(c1csc(Cc2ccccc2)n1)N1CC[C@@H](O)[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257210679 568779172 /nfs/dbraw/zinc/77/91/72/568779172.db2.gz BVRMFUHNTHABPH-GGPKGHCWSA-N 1 2 417.531 1.002 40 0 HDABLO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CC[C@@H](O)[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257257341 568792075 /nfs/dbraw/zinc/79/20/75/568792075.db2.gz KPDAEULZTOYTDE-OPYAIIAOSA-N 1 2 401.507 1.362 40 0 HDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](CC(=O)Nc1ccc3c(c1)CCCC3)C[C@@H]2O ZINC000257290847 568801594 /nfs/dbraw/zinc/80/15/94/568801594.db2.gz QEPFVFXAWFXJGH-FPOVZHCZSA-N 1 2 421.563 1.365 40 0 HDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@@H+](CC(=O)Nc1ccc3c(c1)CCCC3)C[C@@H]2O ZINC000257290847 568801595 /nfs/dbraw/zinc/80/15/95/568801595.db2.gz QEPFVFXAWFXJGH-FPOVZHCZSA-N 1 2 421.563 1.365 40 0 HDABLO CN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257290511 568801630 /nfs/dbraw/zinc/80/16/30/568801630.db2.gz QDGAOWXHHZXOLV-VAMGGRTRSA-N 1 2 402.470 1.902 40 0 HDABLO Cc1cn([C@H]2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC[C@@H]2O)c(=O)[nH]c1=O ZINC000257294898 568802993 /nfs/dbraw/zinc/80/29/93/568802993.db2.gz QWEORQZELNGHQU-OALUTQOASA-N 1 2 423.473 1.340 40 0 HDABLO O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC[C@](O)(C[NH+]2CCOCC2)CC1 ZINC000257334660 568814487 /nfs/dbraw/zinc/81/44/87/568814487.db2.gz YGWKXGXYYVJHOS-OAQYLSRUSA-N 1 2 402.470 1.905 40 0 HDABLO CCc1nnc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)CNC(C)=O)CCO3)c2)s1 ZINC000257344187 568817385 /nfs/dbraw/zinc/81/73/85/568817385.db2.gz ZWCMBCLXXVAGAA-HNNXBMFYSA-N 1 2 404.496 1.584 40 0 HDABLO Cn1cc(C[N@@H+]2CCO[C@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)cn1 ZINC000306125250 568888110 /nfs/dbraw/zinc/88/81/10/568888110.db2.gz CKMWQCOQDLLEAM-KRWDZBQOSA-N 1 2 405.466 1.599 40 0 HDABLO Cn1cc(C[N@H+]2CCO[C@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)cn1 ZINC000306125250 568888111 /nfs/dbraw/zinc/88/81/11/568888111.db2.gz CKMWQCOQDLLEAM-KRWDZBQOSA-N 1 2 405.466 1.599 40 0 HDABLO O=S1(=O)c2cccnc2O[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]2N1Cc1ccccn1 ZINC000306134486 568896494 /nfs/dbraw/zinc/89/64/94/568896494.db2.gz NPDFRZXFQITTDF-ZWKOTPCHSA-N 1 2 412.471 1.906 40 0 HDABLO O=S1(=O)c2cccnc2O[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2N1Cc1ccccn1 ZINC000306134486 568896496 /nfs/dbraw/zinc/89/64/96/568896496.db2.gz NPDFRZXFQITTDF-ZWKOTPCHSA-N 1 2 412.471 1.906 40 0 HDABLO COCCN1CC[C@]2(CN(C(=O)Cc3ccccc3C)C[C@@H]2c2cn(C)c[nH+]2)C1=O ZINC000306143986 568905339 /nfs/dbraw/zinc/90/53/39/568905339.db2.gz YSSRWHLJTYYKLJ-AUSIDOKSSA-N 1 2 410.518 1.762 40 0 HDABLO COCCNC(=O)C[N@@H+]1CCCC[C@@H]1c1nc(C)ncc1C(=O)N1CCCCC1 ZINC000019752072 569348749 /nfs/dbraw/zinc/34/87/49/569348749.db2.gz HWQJZNDQOQDTFY-GOSISDBHSA-N 1 2 403.527 1.701 40 0 HDABLO COCCNC(=O)C[N@H+]1CCCC[C@@H]1c1nc(C)ncc1C(=O)N1CCCCC1 ZINC000019752072 569348750 /nfs/dbraw/zinc/34/87/50/569348750.db2.gz HWQJZNDQOQDTFY-GOSISDBHSA-N 1 2 403.527 1.701 40 0 HDABLO CS(=O)(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CCN(C4CCCC4)C(=O)C3)ccc21 ZINC000012291483 132358002 /nfs/dbraw/zinc/35/80/02/132358002.db2.gz SMXZRXLATHWDEY-HXUWFJFHSA-N 1 2 421.563 1.519 40 0 HDABLO CS(=O)(=O)N1CCCc2cc([C@H](O)C[N@H+]3CCN(C4CCCC4)C(=O)C3)ccc21 ZINC000012291483 132358003 /nfs/dbraw/zinc/35/80/03/132358003.db2.gz SMXZRXLATHWDEY-HXUWFJFHSA-N 1 2 421.563 1.519 40 0 HDABLO Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)c(F)c1 ZINC000019974072 525219727 /nfs/dbraw/zinc/21/97/27/525219727.db2.gz LMUIMFGHSSUVQA-NSHDSACASA-N 1 2 400.414 1.407 40 0 HDABLO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCn3cc[nH+]c3)C2)cc1 ZINC000408591127 557503199 /nfs/dbraw/zinc/50/31/99/557503199.db2.gz IXFGTRUHGJGFLQ-KRWDZBQOSA-N 1 2 420.535 1.889 40 0 HDABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000007709713 557757293 /nfs/dbraw/zinc/75/72/93/557757293.db2.gz IILXCHHBTZECJW-UHFFFAOYSA-N 1 2 413.496 1.563 40 0 HDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1 ZINC000036048072 557827314 /nfs/dbraw/zinc/82/73/14/557827314.db2.gz KKONKUHKTMSBKT-UHFFFAOYSA-N 1 2 401.554 1.234 40 0 HDABLO Cn1cc[nH+]c1[C@H](NC(=O)Cn1cccc(C(=O)NC2CCCCC2)c1=O)C1CC1 ZINC000019750656 558270547 /nfs/dbraw/zinc/27/05/47/558270547.db2.gz RJQCFOZRQBHKCQ-LJQANCHMSA-N 1 2 411.506 1.912 40 0 HDABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)CC1 ZINC000016023269 558768386 /nfs/dbraw/zinc/76/83/86/558768386.db2.gz LOIOFTZTAWRMMQ-UHFFFAOYSA-N 1 2 417.487 1.281 40 0 HDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 ZINC000036312374 558798981 /nfs/dbraw/zinc/79/89/81/558798981.db2.gz FMOHDJZWOKBNMG-UHFFFAOYSA-N 1 2 415.581 1.578 40 0 HDABLO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1)NCCCc1nc2ccc(F)cc2[nH]1 ZINC000019346125 558873401 /nfs/dbraw/zinc/87/34/01/558873401.db2.gz GWPQJVRPMOODOZ-GOSISDBHSA-N 1 2 401.486 1.884 40 0 HDABLO O=C(C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1)NCCCc1nc2ccc(F)cc2[nH]1 ZINC000019346125 558873402 /nfs/dbraw/zinc/87/34/02/558873402.db2.gz GWPQJVRPMOODOZ-GOSISDBHSA-N 1 2 401.486 1.884 40 0 HDABLO CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000019718481 558981771 /nfs/dbraw/zinc/98/17/71/558981771.db2.gz VPAGLYAMCJEAKH-MRXNPFEDSA-N 1 2 419.551 1.645 40 0 HDABLO CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C[C@H](O)C[NH+]1CCN(Cc3ccccc3)CC1)C2=O ZINC000022465645 558996234 /nfs/dbraw/zinc/99/62/34/558996234.db2.gz KJKAHKQPGIOZFJ-REHUZNOOSA-N 1 2 413.562 1.976 40 0 HDABLO Cc1nc(C)c(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCN(C)C(=O)C4)C3)CC2)s1 ZINC000585104224 559026000 /nfs/dbraw/zinc/02/60/00/559026000.db2.gz NCTWEIGKEMJIHY-MRXNPFEDSA-N 1 2 406.552 1.545 40 0 HDABLO Cc1nc(C)c(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCN(C)C(=O)C4)C3)CC2)s1 ZINC000585104224 559026002 /nfs/dbraw/zinc/02/60/02/559026002.db2.gz NCTWEIGKEMJIHY-MRXNPFEDSA-N 1 2 406.552 1.545 40 0 HDABLO O=C(Cc1ccccc1)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1C[C@@H](O)C[N@H+]12 ZINC000514289540 560032432 /nfs/dbraw/zinc/03/24/32/560032432.db2.gz NUPGFMGZJBGFKB-LEWJYISDSA-N 1 2 405.498 1.401 40 0 biogenic,in-vitro HDABLO O=C(Cc1ccccc1)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1C[C@@H](O)C[N@@H+]12 ZINC000514289540 560032433 /nfs/dbraw/zinc/03/24/33/560032433.db2.gz NUPGFMGZJBGFKB-LEWJYISDSA-N 1 2 405.498 1.401 40 0 biogenic,in-vitro HDABLO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(C(=O)c3ccccc3)C2)C1 ZINC000514288862 560033783 /nfs/dbraw/zinc/03/37/83/560033783.db2.gz GCVFHXIBAMLJGT-LEWJYISDSA-N 1 2 405.498 1.401 40 0 biogenic,in-vitro HDABLO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(C(=O)c3ccccc3)C2)C1 ZINC000514288862 560033785 /nfs/dbraw/zinc/03/37/85/560033785.db2.gz GCVFHXIBAMLJGT-LEWJYISDSA-N 1 2 405.498 1.401 40 0 biogenic,in-vitro HDABLO C[N@@H+]1CC[C@@H](COCc2cccnc2)CC12CN(S(=O)(=O)c1cccnc1)C2 ZINC000575405209 560547316 /nfs/dbraw/zinc/54/73/16/560547316.db2.gz XENBCSFWDFYJOY-QGZVFWFLSA-N 1 2 402.520 1.778 40 0 HDABLO C[N@H+]1CC[C@@H](COCc2cccnc2)CC12CN(S(=O)(=O)c1cccnc1)C2 ZINC000575405209 560547317 /nfs/dbraw/zinc/54/73/17/560547317.db2.gz XENBCSFWDFYJOY-QGZVFWFLSA-N 1 2 402.520 1.778 40 0 HDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)C[N@@H+]1CC1CC1 ZINC000575406039 560547422 /nfs/dbraw/zinc/54/74/22/560547422.db2.gz WWYXAQZVPQQKET-ONUXSRJRSA-N 1 2 401.551 1.641 40 0 HDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)C[N@H+]1CC1CC1 ZINC000575406039 560547424 /nfs/dbraw/zinc/54/74/24/560547424.db2.gz WWYXAQZVPQQKET-ONUXSRJRSA-N 1 2 401.551 1.641 40 0 HDABLO O=C(c1ccc(N2C(=O)c3nccnc3C2=O)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000408974996 560660071 /nfs/dbraw/zinc/66/00/71/560660071.db2.gz HFDKHEWSEOMHGW-UHFFFAOYSA-N 1 2 414.425 1.635 40 0 HDABLO COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223134227 568538930 /nfs/dbraw/zinc/53/89/30/568538930.db2.gz QZHRILMNJJSWAE-WOJBJXKFSA-N 1 2 415.563 1.834 40 0 HDABLO COCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000026100403 568539141 /nfs/dbraw/zinc/53/91/41/568539141.db2.gz QMJQZPOORSSEEM-UHFFFAOYSA-N 1 2 418.563 1.492 40 0 HDABLO CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000223168594 568539953 /nfs/dbraw/zinc/53/99/53/568539953.db2.gz NLDULSYUWVMUTH-UHFFFAOYSA-N 1 2 406.493 1.797 40 0 HDABLO O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCC[NH+]1CCOCC1 ZINC000027772842 568576062 /nfs/dbraw/zinc/57/60/62/568576062.db2.gz PNXLVPNKNBUMDX-UHFFFAOYSA-N 1 2 409.552 1.242 40 0 HDABLO Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCCn3cc[nH+]c3)s2)cc1 ZINC000225192604 568621705 /nfs/dbraw/zinc/62/17/05/568621705.db2.gz MZJNFNLXRFTLEP-UHFFFAOYSA-N 1 2 406.493 1.664 40 0 HDABLO CNc1nc([C@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)nc2c1C[N@H+](C)CC2 ZINC000257227392 568784071 /nfs/dbraw/zinc/78/40/71/568784071.db2.gz FPBSSJZHJUHMNZ-HNNXBMFYSA-N 1 2 409.490 1.907 40 0 HDABLO CNc1nc([C@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)nc2c1C[N@@H+](C)CC2 ZINC000257227392 568784073 /nfs/dbraw/zinc/78/40/73/568784073.db2.gz FPBSSJZHJUHMNZ-HNNXBMFYSA-N 1 2 409.490 1.907 40 0 HDABLO CN(C)c1cc(N2CCC[C@](C)(C(=O)N3CCN(c4ncccn4)CC3)C2)nc[nH+]1 ZINC000257257482 568792231 /nfs/dbraw/zinc/79/22/31/568792231.db2.gz KPUWHIQWSJHXAL-NRFANRHFSA-N 1 2 410.526 1.288 40 0 HDABLO CN(C)c1cc(N2CCC[C@](C)(C(=O)N3CCN(c4ncccn4)CC3)C2)[nH+]cn1 ZINC000257257482 568792233 /nfs/dbraw/zinc/79/22/33/568792233.db2.gz KPUWHIQWSJHXAL-NRFANRHFSA-N 1 2 410.526 1.288 40 0 HDABLO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)N1C[C@@H](O)[C@H](n2cnc3c2ncnc3N)C1 ZINC000257292443 568802235 /nfs/dbraw/zinc/80/22/35/568802235.db2.gz QLMNJTJQTTVTTA-IAGOWNOFSA-N 1 2 420.477 1.128 40 0 HDABLO CCc1c2cc(C)ccc2[nH]c1C(=O)N1CC[C@@H](O)[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257297902 568803687 /nfs/dbraw/zinc/80/36/87/568803687.db2.gz RJHMBIRSOMGGAB-SBHAEUEKSA-N 1 2 401.507 1.307 40 0 HDABLO CCOc1ccc2[nH]c(C(=O)N3CC[C@@H](O)[C@@H](O)[C@H]([NH+]4CCOCC4)C3)c(C)c2c1 ZINC000257306653 568806596 /nfs/dbraw/zinc/80/65/96/568806596.db2.gz SVFXEVHLBGBEHC-SBHAEUEKSA-N 1 2 417.506 1.144 40 0 HDABLO Cc1cn([C@@H]2CN(C(=O)Cn3c4ccccc4[nH+]c3C(C)C)C[C@H]2O)c(=O)[nH]c1=O ZINC000257332248 568813835 /nfs/dbraw/zinc/81/38/35/568813835.db2.gz XWKSIDKQCXSYDF-IAGOWNOFSA-N 1 2 411.462 1.175 40 0 HDABLO CNC(=O)c1cccc([C@@H]2CN(CC(=O)Nc3ccc4c(c3)OCCO4)CC[N@@H+]2C)c1 ZINC000257339325 568815791 /nfs/dbraw/zinc/81/57/91/568815791.db2.gz ZBGHLBKLJMDVFF-IBGZPJMESA-N 1 2 424.501 1.745 40 0 HDABLO CNC(=O)c1cccc([C@@H]2CN(CC(=O)Nc3ccc4c(c3)OCCO4)CC[N@H+]2C)c1 ZINC000257339325 568815792 /nfs/dbraw/zinc/81/57/92/568815792.db2.gz ZBGHLBKLJMDVFF-IBGZPJMESA-N 1 2 424.501 1.745 40 0 HDABLO Cn1c[nH+]c([C@@H]2CN(C(=O)Cc3ccco3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306127070 568889972 /nfs/dbraw/zinc/88/99/72/568889972.db2.gz FNYORWHKVPNNKW-CVDCTZTESA-N 1 2 419.485 1.996 40 0 HDABLO COCCN1CC[C@]2(CN(C(=O)c3ccc(C)s3)C[C@H]2c2cn(C)c[nH+]2)C1=O ZINC000306127306 568889999 /nfs/dbraw/zinc/88/99/99/568889999.db2.gz FUUHDWYXOCSQGM-MGPUTAFESA-N 1 2 402.520 1.895 40 0 HDABLO O=S(=O)(/C=C/c1ccccc1)N1CCOC[C@@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000306128204 568891009 /nfs/dbraw/zinc/89/10/09/568891009.db2.gz GUCHNIISDCQEBD-NPHOPMJSSA-N 1 2 422.547 1.569 40 0 HDABLO COCCN1C[C@@]2(CC[N@H+](Cc3cnn(C)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306130575 568893008 /nfs/dbraw/zinc/89/30/08/568893008.db2.gz JJYIVERKVCAWFE-IBGZPJMESA-N 1 2 406.508 1.094 40 0 HDABLO COCCN1C[C@@]2(CC[N@@H+](Cc3cnn(C)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306130575 568893009 /nfs/dbraw/zinc/89/30/09/568893009.db2.gz JJYIVERKVCAWFE-IBGZPJMESA-N 1 2 406.508 1.094 40 0 HDABLO O=S1(=O)c2cccnc2O[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2N1Cc1ccccn1 ZINC000306131285 568893758 /nfs/dbraw/zinc/89/37/58/568893758.db2.gz KABNOXYMXHEHNU-RBUKOAKNSA-N 1 2 423.498 1.708 40 0 HDABLO O=S1(=O)c2cccnc2O[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2N1Cc1ccccn1 ZINC000306131285 568893760 /nfs/dbraw/zinc/89/37/60/568893760.db2.gz KABNOXYMXHEHNU-RBUKOAKNSA-N 1 2 423.498 1.708 40 0 HDABLO COCCN1CC[C@]2(CN(C(=O)c3cnccn3)C[C@H]2c2cn(C(C)C)c[nH+]2)C1=O ZINC000306135424 568897199 /nfs/dbraw/zinc/89/71/99/568897199.db2.gz OQHWIGIXEKKVFT-HRAATJIYSA-N 1 2 412.494 1.359 40 0 HDABLO CN1CC=CC[C@]2(C[N@H+](CC(=O)N3CCC(Cc4ccccc4)CC3)CCO2)C1=O ZINC000019704452 569347676 /nfs/dbraw/zinc/34/76/76/569347676.db2.gz CIAZLTCQGHZLDH-DEOSSOPVSA-N 1 2 411.546 1.957 40 0 HDABLO CN1CC=CC[C@]2(C[N@@H+](CC(=O)N3CCC(Cc4ccccc4)CC3)CCO2)C1=O ZINC000019704452 569347677 /nfs/dbraw/zinc/34/76/77/569347677.db2.gz CIAZLTCQGHZLDH-DEOSSOPVSA-N 1 2 411.546 1.957 40 0 HDABLO Cc1nn2c(nccc2[C@H]2CN(C(=O)C3CCCC3)CCO2)c1C[NH+]1CCOCC1 ZINC000019707766 569347973 /nfs/dbraw/zinc/34/79/73/569347973.db2.gz HEQFJMDMRCFIPR-HXUWFJFHSA-N 1 2 413.522 1.960 40 0 HDABLO CCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC000026112004 569349921 /nfs/dbraw/zinc/34/99/21/569349921.db2.gz NIRNDZSLNWQHPE-UHFFFAOYSA-N 1 2 417.531 1.951 40 0 HDABLO Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)N3CC[NH+](C)CC3)n2C)c1 ZINC000143116637 569355079 /nfs/dbraw/zinc/35/50/79/569355079.db2.gz RUWFNPBVNUQHNR-HNNXBMFYSA-N 1 2 416.551 1.481 40 0 HDABLO COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000408594267 557512100 /nfs/dbraw/zinc/51/21/00/557512100.db2.gz PKOPWNBGSZGYHY-UHFFFAOYSA-N 1 2 420.535 1.807 40 0 HDABLO CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000408629810 557564726 /nfs/dbraw/zinc/56/47/26/557564726.db2.gz IIKIQYNQMOLPJJ-UHFFFAOYSA-N 1 2 415.313 1.618 40 0 HDABLO C[C@H](C(=O)NCCCn1cc[nH+]c1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408703353 557728460 /nfs/dbraw/zinc/72/84/60/557728460.db2.gz FKTKKNGWFKJIER-CQSZACIVSA-N 1 2 408.480 1.015 40 0 HDABLO CN(CC(=O)NCCCn1cc[nH+]c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000016187827 558776326 /nfs/dbraw/zinc/77/63/26/558776326.db2.gz SXBXJGRRYPIWDU-UHFFFAOYSA-N 1 2 415.313 1.473 40 0 HDABLO CC(=O)N1CCc2cc(S(=O)(=O)N3CCCN(c4cccc[nH+]4)CC3)ccc21 ZINC000019019259 558837504 /nfs/dbraw/zinc/83/75/04/558837504.db2.gz WMJNFEFSGHGXRJ-UHFFFAOYSA-N 1 2 400.504 1.892 40 0 HDABLO CS(=O)(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019572393 558930607 /nfs/dbraw/zinc/93/06/07/558930607.db2.gz AVWNRUWFBSYCRZ-KRWDZBQOSA-N 1 2 406.483 1.976 40 0 HDABLO CS(=O)(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019572393 558930610 /nfs/dbraw/zinc/93/06/10/558930610.db2.gz AVWNRUWFBSYCRZ-KRWDZBQOSA-N 1 2 406.483 1.976 40 0 HDABLO COc1ccc(C[N@@H+]2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C2)c(OC)c1 ZINC000072347243 558943932 /nfs/dbraw/zinc/94/39/32/558943932.db2.gz HGMXCAOEUFYHJO-GJZGRUSLSA-N 1 2 414.506 1.959 40 0 HDABLO COc1ccc(C[N@H+]2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C2)c(OC)c1 ZINC000072347243 558943933 /nfs/dbraw/zinc/94/39/33/558943933.db2.gz HGMXCAOEUFYHJO-GJZGRUSLSA-N 1 2 414.506 1.959 40 0 HDABLO COc1ccc(OC)c(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)c1 ZINC000072347262 558944124 /nfs/dbraw/zinc/94/41/24/558944124.db2.gz SCOGHUZTZNZGLT-HUUCEWRRSA-N 1 2 414.506 1.959 40 0 HDABLO COc1ccc(OC)c(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)c1 ZINC000072347262 558944128 /nfs/dbraw/zinc/94/41/28/558944128.db2.gz SCOGHUZTZNZGLT-HUUCEWRRSA-N 1 2 414.506 1.959 40 0 HDABLO CC(=O)N1CCO[C@@H](c2c3ccccc3sc2C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000072352675 558949166 /nfs/dbraw/zinc/94/91/66/558949166.db2.gz KLJCPXLCJONUEG-QGZVFWFLSA-N 1 2 417.531 1.571 40 0 HDABLO Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000019659492 558950899 /nfs/dbraw/zinc/95/08/99/558950899.db2.gz LXYHHUADACBHRX-MRXNPFEDSA-N 1 2 422.551 1.127 40 0 HDABLO CS(=O)(=O)N1CCC[C@H](c2ccc(C(=O)NCCNc3cccc[nH+]3)cn2)C1 ZINC000019706039 558968758 /nfs/dbraw/zinc/96/87/58/558968758.db2.gz XZMMTULALKOKQB-INIZCTEOSA-N 1 2 403.508 1.458 40 0 HDABLO CNc1nc([C@H]2CCC[N@@H+]2CC(=O)N2CCC(C)CC2)nc2c1CCN(C(C)=O)C2 ZINC000019708608 558970978 /nfs/dbraw/zinc/97/09/78/558970978.db2.gz KZGFVPNPHDTKBW-LJQANCHMSA-N 1 2 414.554 1.818 40 0 HDABLO CNc1nc([C@H]2CCC[N@H+]2CC(=O)N2CCC(C)CC2)nc2c1CCN(C(C)=O)C2 ZINC000019708608 558970979 /nfs/dbraw/zinc/97/09/79/558970979.db2.gz KZGFVPNPHDTKBW-LJQANCHMSA-N 1 2 414.554 1.818 40 0 HDABLO CN1CC[N@H+](C[C@@H]2CC3(CO2)CCN(C(=O)Cc2ccc(O)cc2)CC3)CC1=O ZINC000585104493 559027051 /nfs/dbraw/zinc/02/70/51/559027051.db2.gz PFOMQQAAZOPEGG-IBGZPJMESA-N 1 2 401.507 1.106 40 0 HDABLO CN1CC[N@@H+](C[C@@H]2CC3(CO2)CCN(C(=O)Cc2ccc(O)cc2)CC3)CC1=O ZINC000585104493 559027053 /nfs/dbraw/zinc/02/70/53/559027053.db2.gz PFOMQQAAZOPEGG-IBGZPJMESA-N 1 2 401.507 1.106 40 0 HDABLO CCOC(=O)[C@H]1CN(c2ncccn2)C[C@H]2CN(C(=O)c3ccccc3C)CC[N@@H+]2C1 ZINC000585108183 559029981 /nfs/dbraw/zinc/02/99/81/559029981.db2.gz NBXLKEDMGWZQFE-RTBURBONSA-N 1 2 423.517 1.611 40 0 HDABLO CCOC(=O)[C@H]1CN(c2ncccn2)C[C@H]2CN(C(=O)c3ccccc3C)CC[N@H+]2C1 ZINC000585108183 559029982 /nfs/dbraw/zinc/02/99/82/559029982.db2.gz NBXLKEDMGWZQFE-RTBURBONSA-N 1 2 423.517 1.611 40 0 HDABLO Cc1cc(CN2CCc3oc(C(=O)NC[C@H]4C[N@H+](C)CCO4)nc3C2)ccc1F ZINC000585113035 559030974 /nfs/dbraw/zinc/03/09/74/559030974.db2.gz XPINUTUTHIMVKP-INIZCTEOSA-N 1 2 402.470 1.741 40 0 HDABLO Cc1cc(CN2CCc3oc(C(=O)NC[C@H]4C[N@@H+](C)CCO4)nc3C2)ccc1F ZINC000585113035 559030976 /nfs/dbraw/zinc/03/09/76/559030976.db2.gz XPINUTUTHIMVKP-INIZCTEOSA-N 1 2 402.470 1.741 40 0 HDABLO CCOC(=O)C[NH+]1CCC2(CC1)O[C@H](C(=O)Nc1cccnc1C)Cn1ccnc12 ZINC000096243888 559104987 /nfs/dbraw/zinc/10/49/87/559104987.db2.gz DVGWJJZWCGHMDV-KRWDZBQOSA-N 1 2 413.478 1.478 40 0 HDABLO COc1cccc(C(=O)N2CCc3[nH+]c(N4CCOCC4)nc(N(C)C)c3CC2)c1 ZINC000096254903 559105836 /nfs/dbraw/zinc/10/58/36/559105836.db2.gz IISPHVYSQVYLMX-UHFFFAOYSA-N 1 2 411.506 1.629 40 0 HDABLO CC[N@H+](CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C)cc1 ZINC000096256732 559105909 /nfs/dbraw/zinc/10/59/09/559105909.db2.gz ROMWZBLKBJMART-GOSISDBHSA-N 1 2 410.584 1.846 40 0 HDABLO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C)cc1 ZINC000096256732 559105911 /nfs/dbraw/zinc/10/59/11/559105911.db2.gz ROMWZBLKBJMART-GOSISDBHSA-N 1 2 410.584 1.846 40 0 HDABLO O=C(c1ccc(N2C(=O)c3cnncc3C2=O)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000408975428 560660220 /nfs/dbraw/zinc/66/02/20/560660220.db2.gz KBIUQDZMDSSPMC-UHFFFAOYSA-N 1 2 414.425 1.635 40 0 HDABLO C[NH+]1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)CC1 ZINC000409152278 560685108 /nfs/dbraw/zinc/68/51/08/560685108.db2.gz DUCITWGJDBWIKD-UHFFFAOYSA-N 1 2 401.323 1.832 40 0 HDABLO COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH+](Cc4cccnc4)C3)C2)cc1 ZINC000604381741 568489217 /nfs/dbraw/zinc/48/92/17/568489217.db2.gz MJKNLCUNXUWOSQ-HXUWFJFHSA-N 1 2 408.502 1.501 40 0 biogenic,in-vitro HDABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220254811 568504030 /nfs/dbraw/zinc/50/40/30/568504030.db2.gz AZTDXXJYMBISGJ-GFCCVEGCSA-N 1 2 424.350 1.596 40 0 HDABLO CCOc1ccc(N([C@H](CC)C(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)cc1 ZINC000220675154 568508351 /nfs/dbraw/zinc/50/83/51/568508351.db2.gz CYNPIRASSKBHON-GOSISDBHSA-N 1 2 413.540 1.078 40 0 HDABLO CCOc1ccc(-c2cc(C(=O)N3CC[C@H](O)[C@@H]([NH+]4CCOCC4)CC3)n[nH]2)cc1 ZINC000257200276 568776082 /nfs/dbraw/zinc/77/60/82/568776082.db2.gz ACSDYXPMDVBTHL-SFTDATJTSA-N 1 2 414.506 1.773 40 0 HDABLO C[N@H+](CC(=O)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1)Cc1ccccn1 ZINC000257235891 568786594 /nfs/dbraw/zinc/78/65/94/568786594.db2.gz GZZLOAFCMMAQJT-SFTDATJTSA-N 1 2 408.502 1.194 40 0 HDABLO C[N@@H+](CC(=O)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1)Cc1ccccn1 ZINC000257235891 568786595 /nfs/dbraw/zinc/78/65/95/568786595.db2.gz GZZLOAFCMMAQJT-SFTDATJTSA-N 1 2 408.502 1.194 40 0 HDABLO Cn1c(=O)oc2ccc(C(=O)N3CCC[C@H](CC(=O)NCCn4cc[nH+]c4)C3)cc21 ZINC000257240823 568787696 /nfs/dbraw/zinc/78/76/96/568787696.db2.gz HVIHCRSDUVKUEH-OAHLLOKOSA-N 1 2 411.462 1.387 40 0 HDABLO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cn[nH]c4)n3)C2)ccc1OCC(N)=O ZINC000257268941 568795413 /nfs/dbraw/zinc/79/54/13/568795413.db2.gz MNWQUKDIBXFRLK-OAQYLSRUSA-N 1 2 423.473 1.918 40 0 HDABLO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4cn[nH]c4)n3)C2)ccc1OCC(N)=O ZINC000257268941 568795414 /nfs/dbraw/zinc/79/54/14/568795414.db2.gz MNWQUKDIBXFRLK-OAQYLSRUSA-N 1 2 423.473 1.918 40 0 HDABLO O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CC[C@@H](O)[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257273444 568796632 /nfs/dbraw/zinc/79/66/32/568796632.db2.gz NGPNWVDQJMWWFI-HLIPFELVSA-N 1 2 420.893 1.869 40 0 HDABLO O=C(N[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cccc(F)c1)C(Cl)(Cl)Cl ZINC000575421888 569026046 /nfs/dbraw/zinc/02/60/46/569026046.db2.gz SPYWMNHQTAKZCK-QWRGUYRKSA-N 1 2 403.690 1.567 40 0 HDABLO Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)N3CC[NH+](C)CC3)n2C)cc1 ZINC000139306198 569354462 /nfs/dbraw/zinc/35/44/62/569354462.db2.gz JOTAACKKNBHJBA-HNNXBMFYSA-N 1 2 416.551 1.481 40 0 HDABLO COc1cc2c(N)[nH+]c(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nc2c(C)c1OC ZINC000584577144 571310833 /nfs/dbraw/zinc/31/08/33/571310833.db2.gz VUHQSEUAZPGEEX-AWEZNQCLSA-N 1 2 401.467 1.365 40 0 HDABLO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCCN4Cc4[nH]cc[nH+]4)n3)ccn2)CC1 ZINC000049155034 291190591 /nfs/dbraw/zinc/19/05/91/291190591.db2.gz FRVZHYJWUFWVDA-KRWDZBQOSA-N 1 2 422.493 1.860 40 0 biogenic,in-vitro HDABLO CN(C)c1ccc(NC2=[NH+][C@@H]3[C@H](S2)[C@@H](C(=O)N2CCCCC2)C[C@@H](O)[C@@H]3O)cc1 ZINC000008636486 291193272 /nfs/dbraw/zinc/19/32/72/291193272.db2.gz JWWFMRFIGFYANN-XCDZQEORSA-N 1 2 418.563 1.759 40 0 biogenic,in-vitro HDABLO C[NH+](C)c1ccc(NC2=N[C@@H]3[C@H](S2)[C@@H](C(=O)N2CCCCC2)C[C@@H](O)[C@@H]3O)cc1 ZINC000008636486 291193275 /nfs/dbraw/zinc/19/32/75/291193275.db2.gz JWWFMRFIGFYANN-XCDZQEORSA-N 1 2 418.563 1.759 40 0 biogenic,in-vitro HDABLO O=C(Nc1ccccc1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCN(c3ccccc3)CC2)[C@H]1O ZINC000012489774 132361139 /nfs/dbraw/zinc/36/11/39/132361139.db2.gz KQFKNZNNBIFYEZ-CSEOROSGSA-N 1 2 424.501 1.484 40 0 biogenic,in-vitro HDABLO CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000408592157 557505628 /nfs/dbraw/zinc/50/56/28/557505628.db2.gz KHWQCQYGGNQAPS-UHFFFAOYSA-N 1 2 414.915 1.809 40 0 HDABLO COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000408607783 557520292 /nfs/dbraw/zinc/52/02/92/557520292.db2.gz QKYZRXOZGMRAOS-UHFFFAOYSA-N 1 2 419.503 1.649 40 0 HDABLO CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000408621868 557547989 /nfs/dbraw/zinc/54/79/89/557547989.db2.gz PPDRFEPYQDDUMJ-UHFFFAOYSA-N 1 2 415.313 1.618 40 0 HDABLO COCCn1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000004537577 557564656 /nfs/dbraw/zinc/56/46/56/557564656.db2.gz JCPJIJPXBMOMBP-LJQANCHMSA-N 1 2 412.494 1.991 40 0 HDABLO CS(=O)(=O)N(CCCC(=O)NCCCn1cc[nH+]c1)c1ccc2c(c1)OCO2 ZINC000408704352 557729648 /nfs/dbraw/zinc/72/96/48/557729648.db2.gz MIRRSRRNXAZPSO-UHFFFAOYSA-N 1 2 408.480 1.365 40 0 HDABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1C ZINC000013510275 558535357 /nfs/dbraw/zinc/53/53/57/558535357.db2.gz NDNBZCKXIRZYPG-UHFFFAOYSA-N 1 2 423.458 1.540 40 0 HDABLO Cc1ccc(Cl)cc1N(CCCC(=O)NCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000013678155 558565125 /nfs/dbraw/zinc/56/51/25/558565125.db2.gz IUSHRBCYFJPTKN-UHFFFAOYSA-N 1 2 417.959 1.643 40 0 HDABLO COc1cccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)c1 ZINC000038752794 558813719 /nfs/dbraw/zinc/81/37/19/558813719.db2.gz FTXSWPOWDDTDRP-UHFFFAOYSA-N 1 2 414.487 1.963 40 0 HDABLO Cc1cc(N2CCN(CC(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)[nH+]c2ccccc12 ZINC000019119001 558842724 /nfs/dbraw/zinc/84/27/24/558842724.db2.gz STQPMSQEWVRGEE-KRWDZBQOSA-N 1 2 416.547 1.311 40 0 HDABLO Cn1c2ccc(S(=O)(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)cc2sc1=O ZINC000019289857 558862348 /nfs/dbraw/zinc/86/23/48/558862348.db2.gz HQIAXVVSWFTXFS-CQSZACIVSA-N 1 2 411.549 1.333 40 0 HDABLO C[C@@H]1Oc2ccc(S(=O)(=O)Nc3ccc4c(c3)[nH+]cn4CCO)cc2NC1=O ZINC000019462268 558893918 /nfs/dbraw/zinc/89/39/18/558893918.db2.gz SDHBXNZAPWNJPU-NSHDSACASA-N 1 2 402.432 1.549 40 0 HDABLO CC1CCN(S(=O)(=O)N2CC[NH+](C[C@@H](O)c3ccc4c(c3)CCO4)CC2)CC1 ZINC000019496936 558895601 /nfs/dbraw/zinc/89/56/01/558895601.db2.gz NKDIVDOQTNVMDK-LJQANCHMSA-N 1 2 409.552 1.249 40 0 HDABLO CCS(=O)(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)C1 ZINC000019520305 558901309 /nfs/dbraw/zinc/90/13/09/558901309.db2.gz QFKWEVPUPMAWFD-CQSZACIVSA-N 1 2 407.540 1.731 40 0 HDABLO CCS(=O)(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)C1 ZINC000019520305 558901310 /nfs/dbraw/zinc/90/13/10/558901310.db2.gz QFKWEVPUPMAWFD-CQSZACIVSA-N 1 2 407.540 1.731 40 0 HDABLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1c(C)n(CC(=O)NC2CC2)c2ccccc12 ZINC000019581900 558937177 /nfs/dbraw/zinc/93/71/77/558937177.db2.gz DAVXZOITZJHLAJ-LJQANCHMSA-N 1 2 412.490 1.092 40 0 HDABLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1c(C)n(CC(=O)NC2CC2)c2ccccc12 ZINC000019581900 558937180 /nfs/dbraw/zinc/93/71/80/558937180.db2.gz DAVXZOITZJHLAJ-LJQANCHMSA-N 1 2 412.490 1.092 40 0 HDABLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000019592484 558943281 /nfs/dbraw/zinc/94/32/81/558943281.db2.gz QZRQKQBEDPKVBL-LJQANCHMSA-N 1 2 412.490 1.127 40 0 HDABLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000019592484 558943283 /nfs/dbraw/zinc/94/32/83/558943283.db2.gz QZRQKQBEDPKVBL-LJQANCHMSA-N 1 2 412.490 1.127 40 0 HDABLO COc1ccccc1N1CCN(CC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C1=O ZINC000019659025 558950773 /nfs/dbraw/zinc/95/07/73/558950773.db2.gz SDPCSFPNUAVRRR-SFHVURJKSA-N 1 2 423.517 1.476 40 0 HDABLO Cc1nnsc1C(=O)N1CCC(c2ccc(C(=O)N3CC[NH+](C)CC3)cn2)CC1 ZINC000019705774 558968157 /nfs/dbraw/zinc/96/81/57/558968157.db2.gz SBKUHXCEOMDABH-UHFFFAOYSA-N 1 2 414.535 1.649 40 0 HDABLO CNc1nc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC(C)CC2)nc2c1CCN(C(C)=O)C2 ZINC000019708607 558970933 /nfs/dbraw/zinc/97/09/33/558970933.db2.gz KZGFVPNPHDTKBW-IBGZPJMESA-N 1 2 414.554 1.818 40 0 HDABLO CNc1nc([C@@H]2CCC[N@H+]2CC(=O)N2CCC(C)CC2)nc2c1CCN(C(C)=O)C2 ZINC000019708607 558970937 /nfs/dbraw/zinc/97/09/37/558970937.db2.gz KZGFVPNPHDTKBW-IBGZPJMESA-N 1 2 414.554 1.818 40 0 HDABLO CNc1nc([C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)nc2c1C[N@H+](C)CC2 ZINC000019710526 558972581 /nfs/dbraw/zinc/97/25/81/558972581.db2.gz XZTJRTJHSVJALC-CQSZACIVSA-N 1 2 420.539 1.679 40 0 HDABLO CNc1nc([C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710526 558972584 /nfs/dbraw/zinc/97/25/84/558972584.db2.gz XZTJRTJHSVJALC-CQSZACIVSA-N 1 2 420.539 1.679 40 0 HDABLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@@]2(CO[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC000585102187 559024485 /nfs/dbraw/zinc/02/44/85/559024485.db2.gz KYJLASQYRGHULG-MAUKXSAKSA-N 1 2 412.412 1.681 40 0 HDABLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@@]2(CO[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC000585102187 559024487 /nfs/dbraw/zinc/02/44/87/559024487.db2.gz KYJLASQYRGHULG-MAUKXSAKSA-N 1 2 412.412 1.681 40 0 HDABLO Cc1nc(C)c(CN2CCO[C@@]3(CO[C@@H](C(=O)NCCCn4cc[nH+]c4)C3)C2)s1 ZINC000585102293 559025937 /nfs/dbraw/zinc/02/59/37/559025937.db2.gz WDXQUHNZIWISKH-YLJYHZDGSA-N 1 2 419.551 1.523 40 0 HDABLO Cc1cc(CN2CCc3oc(C(=O)NC[C@@H]4C[N@H+](C)CCO4)nc3C2)ccc1F ZINC000585113036 559030983 /nfs/dbraw/zinc/03/09/83/559030983.db2.gz XPINUTUTHIMVKP-MRXNPFEDSA-N 1 2 402.470 1.741 40 0 HDABLO Cc1cc(CN2CCc3oc(C(=O)NC[C@@H]4C[N@@H+](C)CCO4)nc3C2)ccc1F ZINC000585113036 559030985 /nfs/dbraw/zinc/03/09/85/559030985.db2.gz XPINUTUTHIMVKP-MRXNPFEDSA-N 1 2 402.470 1.741 40 0 HDABLO Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)NCc2cccnc2)o1 ZINC000096251046 559105184 /nfs/dbraw/zinc/10/51/84/559105184.db2.gz MNBKRGPJPKRGHU-GUDVDZBRSA-N 1 2 403.504 1.535 40 0 HDABLO Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)NCc2cccnc2)o1 ZINC000096251046 559105185 /nfs/dbraw/zinc/10/51/85/559105185.db2.gz MNBKRGPJPKRGHU-GUDVDZBRSA-N 1 2 403.504 1.535 40 0 HDABLO O=C(CC1CC1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251491 559105439 /nfs/dbraw/zinc/10/54/39/559105439.db2.gz CTPUTQMNDJQCAW-CVDCTZTESA-N 1 2 412.534 1.786 40 0 HDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)NCc1ccccc1)CC2 ZINC000096254918 559105821 /nfs/dbraw/zinc/10/58/21/559105821.db2.gz BQJDUVLVGSSAPP-UHFFFAOYSA-N 1 2 410.522 1.690 40 0 HDABLO CO[C@H]1CC[C@H](C(=O)NCCc2cc(N3CCOCC3)nc(N3CCCC3)[nH+]2)CC1 ZINC000100224176 559132504 /nfs/dbraw/zinc/13/25/04/559132504.db2.gz KOLCKJUALRPGHQ-IZAXUBKRSA-N 1 2 417.554 1.777 40 0 HDABLO O=C(Cc1ccccc1)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@H]1C[C@@H](O)C[N@H+]12 ZINC000514289541 560032501 /nfs/dbraw/zinc/03/25/01/560032501.db2.gz NUPGFMGZJBGFKB-NHCUHLMSSA-N 1 2 405.498 1.401 40 0 biogenic,in-vitro HDABLO O=C(Cc1ccccc1)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@H]1C[C@@H](O)C[N@@H+]12 ZINC000514289541 560032503 /nfs/dbraw/zinc/03/25/03/560032503.db2.gz NUPGFMGZJBGFKB-NHCUHLMSSA-N 1 2 405.498 1.401 40 0 biogenic,in-vitro HDABLO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(N)=O)c1 ZINC000004371780 560605392 /nfs/dbraw/zinc/60/53/92/560605392.db2.gz KWNKGIMQBJAHEY-WTGUMLROSA-N 1 2 419.437 1.705 40 0 HDABLO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(N)=O)c1 ZINC000004371780 560605393 /nfs/dbraw/zinc/60/53/93/560605393.db2.gz KWNKGIMQBJAHEY-WTGUMLROSA-N 1 2 419.437 1.705 40 0 HDABLO CCOc1ccc(OCC)c(NC(=O)CN2CC[NH+](CC(=O)NC(C)C)CC2)c1 ZINC000022587018 568487187 /nfs/dbraw/zinc/48/71/87/568487187.db2.gz WPHNQIAREWRYOI-UHFFFAOYSA-N 1 2 406.527 1.565 40 0 HDABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220254749 568504008 /nfs/dbraw/zinc/50/40/08/568504008.db2.gz AZTDXXJYMBISGJ-LBPRGKRZSA-N 1 2 424.350 1.596 40 0 HDABLO CS(=O)(=O)N(CCCC(=O)NCCCn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000223183512 568540352 /nfs/dbraw/zinc/54/03/52/568540352.db2.gz UPWJNZROWKPRIQ-UHFFFAOYSA-N 1 2 422.507 1.407 40 0 HDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](CC(=O)Nc1cccc3ccccc31)C[C@@H]2O ZINC000257251774 568790759 /nfs/dbraw/zinc/79/07/59/568790759.db2.gz JSDLJCUBCQYMDW-FPOVZHCZSA-N 1 2 417.531 1.639 40 0 HDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@@H+](CC(=O)Nc1cccc3ccccc31)C[C@@H]2O ZINC000257251774 568790760 /nfs/dbraw/zinc/79/07/60/568790760.db2.gz JSDLJCUBCQYMDW-FPOVZHCZSA-N 1 2 417.531 1.639 40 0 HDABLO Cc1cc2[nH]c(CCC(=O)N3C[C@@H](O)[C@H](n4cc(C)c(=O)[nH]c4=O)C3)[nH+]c2cc1C ZINC000257255323 568791724 /nfs/dbraw/zinc/79/17/24/568791724.db2.gz KHATUCXEGGKLHR-IAGOWNOFSA-N 1 2 411.462 1.127 40 0 HDABLO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@@H](c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 ZINC000257273614 568796667 /nfs/dbraw/zinc/79/66/67/568796667.db2.gz NHKZNNUVMWTZIK-LJQANCHMSA-N 1 2 423.473 1.164 40 0 HDABLO CC(=O)Nc1ccc(C[N@H+]2CCO[C@@H](c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 ZINC000257273614 568796671 /nfs/dbraw/zinc/79/66/71/568796671.db2.gz NHKZNNUVMWTZIK-LJQANCHMSA-N 1 2 423.473 1.164 40 0 HDABLO CCCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](n2cnc3c2ncnc3N)C1 ZINC000257273792 568796804 /nfs/dbraw/zinc/79/68/04/568796804.db2.gz NIEWDIHVYVJWHD-HZPDHXFCSA-N 1 2 420.477 1.155 40 0 HDABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1C[C@@H](O)[C@H](n2cnc3c2ncnc3N)C1 ZINC000257282439 568799224 /nfs/dbraw/zinc/79/92/24/568799224.db2.gz OTUAFZWIMJFGAR-IAGOWNOFSA-N 1 2 420.477 1.291 40 0 HDABLO Cc1cc2[nH+]c(CCC(=O)N3C[C@@H](O)[C@H](n4cnc5c4ncnc5N)C3)[nH]c2c(C)c1 ZINC000257292464 568802270 /nfs/dbraw/zinc/80/22/70/568802270.db2.gz QLOLANVSQUXMOJ-HUUCEWRRSA-N 1 2 420.477 1.279 40 0 HDABLO O=C(C[C@H]1CCCN(C(=O)c2ccnc(N3CCCC3)c2)C1)NCCn1cc[nH+]c1 ZINC000257318241 568809921 /nfs/dbraw/zinc/80/99/21/568809921.db2.gz VNBHAELRHMRBJV-GOSISDBHSA-N 1 2 410.522 1.937 40 0 HDABLO COCCN1CC[C@]2(CN(C(=O)c3csc(C)n3)C[C@@H]2c2cn(C)c[nH+]2)C1=O ZINC000306136770 568898641 /nfs/dbraw/zinc/89/86/41/568898641.db2.gz QCWABCPADLHJAB-AUUYWEPGSA-N 1 2 403.508 1.290 40 0 HDABLO COCCN1CC[C@]2(CN(C(=O)c3csc(C)n3)C[C@H]2c2cn(C)c[nH+]2)C1=O ZINC000306136771 568898705 /nfs/dbraw/zinc/89/87/05/568898705.db2.gz QCWABCPADLHJAB-IFXJQAMLSA-N 1 2 403.508 1.290 40 0 HDABLO C[N@@H+]1CC[C@H](COc2ncccc2F)CC12CN(S(=O)(=O)c1cccnc1)C2 ZINC000306143255 568904641 /nfs/dbraw/zinc/90/46/41/568904641.db2.gz XXFSTWGDBHZULB-HNNXBMFYSA-N 1 2 406.483 1.780 40 0 HDABLO C[N@H+]1CC[C@H](COc2ncccc2F)CC12CN(S(=O)(=O)c1cccnc1)C2 ZINC000306143255 568904642 /nfs/dbraw/zinc/90/46/42/568904642.db2.gz XXFSTWGDBHZULB-HNNXBMFYSA-N 1 2 406.483 1.780 40 0 HDABLO COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[NH2+]CC2=O ZINC000253407486 569366171 /nfs/dbraw/zinc/36/61/71/569366171.db2.gz WMTMRWZMIWBZQP-GNRZLHGISA-N 1 2 401.507 1.342 40 0 HDABLO CN1[C@@H]2CC[N@H+](Cc3cccs3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccco1 ZINC000022922560 291194203 /nfs/dbraw/zinc/19/42/03/291194203.db2.gz LUYZLBDRLGAFKC-CVAIRZPRSA-N 1 2 416.547 1.811 40 0 biogenic,in-vitro HDABLO CN1[C@@H]2CC[N@@H+](Cc3cccs3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccco1 ZINC000022922560 291194204 /nfs/dbraw/zinc/19/42/04/291194204.db2.gz LUYZLBDRLGAFKC-CVAIRZPRSA-N 1 2 416.547 1.811 40 0 biogenic,in-vitro HDABLO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCC[NH+]1CCOCC1 ZINC000408596320 557514219 /nfs/dbraw/zinc/51/42/19/557514219.db2.gz UFNRTUZRGIUBRE-NSHDSACASA-N 1 2 410.323 1.109 40 0 HDABLO C[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000006177110 557692864 /nfs/dbraw/zinc/69/28/64/557692864.db2.gz MRPXBRCLVCMLPG-UHFFFAOYSA-N 1 2 417.487 1.646 40 0 HDABLO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036048076 557827275 /nfs/dbraw/zinc/82/72/75/557827275.db2.gz QWXDSDVTYRVFCY-OAHLLOKOSA-N 1 2 401.554 1.186 40 0 HDABLO CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1OC ZINC000020452067 558366279 /nfs/dbraw/zinc/36/62/79/558366279.db2.gz BNFZFKDBMXIEHQ-UHFFFAOYSA-N 1 2 400.460 1.719 40 0 HDABLO CCN(c1cc(OC)c(OC)cc1C(=O)NCCCn1cc[nH+]c1)S(C)(=O)=O ZINC000022252302 558473587 /nfs/dbraw/zinc/47/35/87/558473587.db2.gz BCBXBAJCQSOONH-UHFFFAOYSA-N 1 2 410.496 1.506 40 0 HDABLO O[C@@H]1c2cc(Br)ccc2OC[C@@]1(C[NH+]1CCOCC1)N1CCOCC1 ZINC000022859995 558517429 /nfs/dbraw/zinc/51/74/29/558517429.db2.gz JLFKVUBNGKUVHH-QZTJIDSGSA-N 1 2 413.312 1.278 40 0 HDABLO CCS(=O)(=O)N1CC[NH+](Cc2c(C)n(CC(=O)NC3CC3)c3ccccc32)CC1 ZINC000036741480 558802205 /nfs/dbraw/zinc/80/22/05/558802205.db2.gz GKIKVWVJYAPRQS-UHFFFAOYSA-N 1 2 418.563 1.696 40 0 HDABLO CN(C)C(=O)Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000036751978 558802720 /nfs/dbraw/zinc/80/27/20/558802720.db2.gz HJZQPJABYSDFIZ-FQEVSTJZSA-N 1 2 401.532 1.995 40 0 HDABLO CN(C)C(=O)Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000036751978 558802722 /nfs/dbraw/zinc/80/27/22/558802722.db2.gz HJZQPJABYSDFIZ-FQEVSTJZSA-N 1 2 401.532 1.995 40 0 HDABLO COc1ccc([C@@H](c2c(N)n(CC(C)C)c(=O)n(C)c2=O)[NH+]2CCOCC2)cc1 ZINC000016739846 558803115 /nfs/dbraw/zinc/80/31/15/558803115.db2.gz BDTCICCVUNNZOW-SFHVURJKSA-N 1 2 402.495 1.215 40 0 HDABLO CC(C)(CN1CCC[C@H](c2nnsc2S(C)(=O)=O)C1)C[NH+]1CCOCC1 ZINC000019084970 558840949 /nfs/dbraw/zinc/84/09/49/558840949.db2.gz YFJGRIJVRZMGBQ-AWEZNQCLSA-N 1 2 402.586 1.479 40 0 HDABLO CN(C)c1ncc(C[NH+]2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)cn1 ZINC000019291356 558863755 /nfs/dbraw/zinc/86/37/55/558863755.db2.gz UADYHYROLPAJPG-FQEVSTJZSA-N 1 2 407.522 1.680 40 0 HDABLO O=C1CCc2cc(S(=O)(=O)NC3(C[NH+]4CCOCC4)CCCCC3)ccc2N1 ZINC000019346322 558873638 /nfs/dbraw/zinc/87/36/38/558873638.db2.gz BIKBQVRHWWRWNN-UHFFFAOYSA-N 1 2 407.536 1.885 40 0 HDABLO COc1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1NC(=O)C[NH+]1CCCC1 ZINC000057823171 558891139 /nfs/dbraw/zinc/89/11/39/558891139.db2.gz JCYZNSMYRHTQDH-UHFFFAOYSA-N 1 2 407.496 1.572 40 0 HDABLO Cc1nc(C)c(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCN(C)C(=O)C4)C3)CC2)s1 ZINC000585104222 559025877 /nfs/dbraw/zinc/02/58/77/559025877.db2.gz NCTWEIGKEMJIHY-INIZCTEOSA-N 1 2 406.552 1.545 40 0 HDABLO Cc1nc(C)c(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCN(C)C(=O)C4)C3)CC2)s1 ZINC000585104222 559025878 /nfs/dbraw/zinc/02/58/78/559025878.db2.gz NCTWEIGKEMJIHY-INIZCTEOSA-N 1 2 406.552 1.545 40 0 HDABLO COc1cccc(CCNC(=O)[C@H]2c3c([nH+]cn3C(C)C)CCN2S(C)(=O)=O)c1 ZINC000096147260 559098247 /nfs/dbraw/zinc/09/82/47/559098247.db2.gz OLOFEWBZZBZZFY-LJQANCHMSA-N 1 2 420.535 1.690 40 0 HDABLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NCC3CC3)cn21 ZINC000096156655 559100612 /nfs/dbraw/zinc/10/06/12/559100612.db2.gz QPYHXFRQJNHCGK-LJQANCHMSA-N 1 2 405.506 1.753 40 0 HDABLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NCC3CC3)cn21 ZINC000096156655 559100613 /nfs/dbraw/zinc/10/06/13/559100613.db2.gz QPYHXFRQJNHCGK-LJQANCHMSA-N 1 2 405.506 1.753 40 0 HDABLO CC(C)CS(=O)(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251285 559105392 /nfs/dbraw/zinc/10/53/92/559105392.db2.gz QJPJRMDVGWXCQK-XLIONFOSSA-N 1 2 408.568 1.674 40 0 HDABLO O=C(Nc1ccccc1F)[C@H]1C=C([O-])NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+]1 ZINC000014606982 560846714 /nfs/dbraw/zinc/84/67/14/560846714.db2.gz LYSXFQOCRIWBKS-LJQANCHMSA-N 1 2 409.465 1.827 40 0 HDABLO COCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000019822738 560875941 /nfs/dbraw/zinc/87/59/41/560875941.db2.gz KLVZUQOVUVIMDY-UHFFFAOYSA-N 1 2 418.563 1.492 40 0 HDABLO CC[C@H](c1nnnn1CCOC)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057674944 568493855 /nfs/dbraw/zinc/49/38/55/568493855.db2.gz OPZSTKBUWAGAEN-LJQANCHMSA-N 1 2 414.510 1.805 40 0 HDABLO CC[C@H](c1nnnn1CCOC)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057674944 568493856 /nfs/dbraw/zinc/49/38/56/568493856.db2.gz OPZSTKBUWAGAEN-LJQANCHMSA-N 1 2 414.510 1.805 40 0 HDABLO CCOc1ccccc1N(CCCC(=O)NCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000222613734 568520707 /nfs/dbraw/zinc/52/07/07/568520707.db2.gz HMXMHQMDWBJFFO-UHFFFAOYSA-N 1 2 413.540 1.080 40 0 HDABLO CCOc1ccc(N(CCCC(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)cc1 ZINC000222621750 568521021 /nfs/dbraw/zinc/52/10/21/568521021.db2.gz PYULSBGJIKXXCE-UHFFFAOYSA-N 1 2 413.540 1.080 40 0 HDABLO O=C(c1csc(-c2ccccc2)n1)N1CC[C@@H](O)[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257313553 568808325 /nfs/dbraw/zinc/80/83/25/568808325.db2.gz UTCZERNIIQARHR-KURKYZTESA-N 1 2 403.504 1.079 40 0 HDABLO O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC[C@@](O)(C[NH+]2CCOCC2)CC1 ZINC000257334659 568814287 /nfs/dbraw/zinc/81/42/87/568814287.db2.gz YGWKXGXYYVJHOS-NRFANRHFSA-N 1 2 402.470 1.905 40 0 HDABLO O=C(NCC[NH+]1CCOCC1)c1nc([C@@H]2CCCN2c2ncccn2)n2ccccc12 ZINC000306143004 568904797 /nfs/dbraw/zinc/90/47/97/568904797.db2.gz XQKAMJDJDNSICU-SFHVURJKSA-N 1 2 421.505 1.528 40 0 HDABLO COCCN1CC[C@@]2(CN(C(=O)Cc3ccccc3C)C[C@@H]2c2cn(C)c[nH+]2)C1=O ZINC000306143989 568905476 /nfs/dbraw/zinc/90/54/76/568905476.db2.gz YSSRWHLJTYYKLJ-XXBNENTESA-N 1 2 410.518 1.762 40 0 HDABLO CN(C)c1nc(N2CCOCC2)[nH+]cc1NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000224148660 569052890 /nfs/dbraw/zinc/05/28/90/569052890.db2.gz BEEITMPMWLYXJK-UHFFFAOYSA-N 1 2 400.439 1.794 40 0 HDABLO Nc1nc(N2CCOCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccc(F)c(F)c1)CC(=O)N2 ZINC000019974074 527556743 /nfs/dbraw/zinc/55/67/43/527556743.db2.gz SUTCGVFSEMSHAV-JTQLQIEISA-N 1 2 404.377 1.238 40 0 HDABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000408615075 557540398 /nfs/dbraw/zinc/54/03/98/557540398.db2.gz LOTXVOVSLXVAGT-UHFFFAOYSA-N 1 2 417.531 1.639 40 0 HDABLO Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)c(F)c1 ZINC000019974071 558317008 /nfs/dbraw/zinc/31/70/08/558317008.db2.gz LMUIMFGHSSUVQA-LLVKDONJSA-N 1 2 400.414 1.407 40 0 HDABLO Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)c(Cl)c1 ZINC000019974085 558317144 /nfs/dbraw/zinc/31/71/44/558317144.db2.gz RIPGHZZGFJIIBA-LLVKDONJSA-N 1 2 416.869 1.922 40 0 HDABLO CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)cc1 ZINC000020635728 558395879 /nfs/dbraw/zinc/39/58/79/558395879.db2.gz ZFJVLMKXVPPHBT-CQSZACIVSA-N 1 2 412.450 1.359 40 0 HDABLO CNS(=O)(=O)c1cccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000026935347 558667279 /nfs/dbraw/zinc/66/72/79/558667279.db2.gz OCQMATIYLZLEQR-UHFFFAOYSA-N 1 2 417.487 1.281 40 0 HDABLO O=C(NCC[NH+]1CCN(c2cccc3c2OC[C@H](CO)O3)CC1)c1ccc(F)cc1 ZINC000053257919 558863054 /nfs/dbraw/zinc/86/30/54/558863054.db2.gz NYSDRDDQELAVKP-SFHVURJKSA-N 1 2 415.465 1.510 40 0 in-man HDABLO CC(C)n1c2ccc(S(=O)(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2oc1=O ZINC000019454712 558891463 /nfs/dbraw/zinc/89/14/63/558891463.db2.gz LFDLHLSZPUCWEN-INIZCTEOSA-N 1 2 423.535 1.908 40 0 HDABLO C[C@@H](CC(=O)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1)n1cc[nH+]c1 ZINC000072338860 558938481 /nfs/dbraw/zinc/93/84/81/558938481.db2.gz JUWBCGNYRPFIRT-LIRRHRJNSA-N 1 2 403.508 1.803 40 0 HDABLO Cc1noc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)n1 ZINC000019719168 558983000 /nfs/dbraw/zinc/98/30/00/558983000.db2.gz OUUCJHUIPVJEFS-UHFFFAOYSA-N 1 2 407.496 1.194 40 0 HDABLO COc1ncc(C[N@@H+]2CCO[C@@]3(CO[C@@H](C(=O)NCc4ccon4)C3)C2)cc1C ZINC000585102179 559025401 /nfs/dbraw/zinc/02/54/01/559025401.db2.gz JCHZKKPEXLTCIL-YLJYHZDGSA-N 1 2 402.451 1.063 40 0 HDABLO COc1ncc(C[N@H+]2CCO[C@@]3(CO[C@@H](C(=O)NCc4ccon4)C3)C2)cc1C ZINC000585102179 559025402 /nfs/dbraw/zinc/02/54/02/559025402.db2.gz JCHZKKPEXLTCIL-YLJYHZDGSA-N 1 2 402.451 1.063 40 0 HDABLO O=C(NCC[NH+]1CCOCC1)c1nc(-c2cn(C[C@@H]3CCCO3)cn2)n2ccccc12 ZINC000096155153 559099395 /nfs/dbraw/zinc/09/93/95/559099395.db2.gz KTIFTFDNTBPGBS-KRWDZBQOSA-N 1 2 424.505 1.439 40 0 HDABLO CC(C)NC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251497 559105548 /nfs/dbraw/zinc/10/55/48/559105548.db2.gz NKJIVZTVZOBNRD-AVRDEDQJSA-N 1 2 415.538 1.577 40 0 HDABLO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000585262422 559111032 /nfs/dbraw/zinc/11/10/32/559111032.db2.gz XLTFFULPCKXHLF-CGXNFDGLSA-N 1 2 400.450 1.837 40 0 HDABLO CC(C)NC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3[nH+]ccn3C)[C@@H]2CO)cc1 ZINC000072321492 560076413 /nfs/dbraw/zinc/07/64/13/560076413.db2.gz JLWDQPRBFWFDCN-VQIMIIECSA-N 1 2 401.467 1.411 40 0 biogenic,in-vitro HDABLO C[N@@H+]1CC[C@H](COCc2cccnc2)CC12CN(S(=O)(=O)c1cccnc1)C2 ZINC000575405206 560547310 /nfs/dbraw/zinc/54/73/10/560547310.db2.gz XENBCSFWDFYJOY-KRWDZBQOSA-N 1 2 402.520 1.778 40 0 HDABLO C[N@H+]1CC[C@H](COCc2cccnc2)CC12CN(S(=O)(=O)c1cccnc1)C2 ZINC000575405206 560547312 /nfs/dbraw/zinc/54/73/12/560547312.db2.gz XENBCSFWDFYJOY-KRWDZBQOSA-N 1 2 402.520 1.778 40 0 HDABLO O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)NCCc2c[nH+]c[nH]2)CC1 ZINC000101442584 560728802 /nfs/dbraw/zinc/72/88/02/560728802.db2.gz QIIIERFXPQPNPZ-MAEOIBBWSA-N 1 2 411.506 1.421 40 0 HDABLO O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)NCCc2c[nH]c[nH+]2)CC1 ZINC000101442584 560728803 /nfs/dbraw/zinc/72/88/03/560728803.db2.gz QIIIERFXPQPNPZ-MAEOIBBWSA-N 1 2 411.506 1.421 40 0 HDABLO O=C(NCC[NH+]1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000105058366 560737285 /nfs/dbraw/zinc/73/72/85/560737285.db2.gz ZCIOIOIFXUDNKH-HNNXBMFYSA-N 1 2 415.943 1.189 40 0 HDABLO CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000222868546 568529076 /nfs/dbraw/zinc/52/90/76/568529076.db2.gz BWNDUVGZJISWQY-UHFFFAOYSA-N 1 2 406.493 1.859 40 0 HDABLO COC(=O)CSc1nnc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000225008102 568608723 /nfs/dbraw/zinc/60/87/23/568608723.db2.gz FPKHIMPEWZIAQO-UHFFFAOYSA-N 1 2 408.505 1.888 40 0 HDABLO C[NH+]1CCN(C(=O)c2c(O)ccc3c2O[C@@H]2C[C@H]4C[C@H](C4(C)C)[C@]2(O)[C@H]3O)CC1 ZINC000257253706 568791267 /nfs/dbraw/zinc/79/12/67/568791267.db2.gz JZYZYQQQYVMOKK-RIWTYHDTSA-N 1 2 402.491 1.371 40 0 HDABLO CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000257319046 568809990 /nfs/dbraw/zinc/80/99/90/568809990.db2.gz VQKYZLFXDVFLSQ-JOCHJYFZSA-N 1 2 406.490 1.825 40 0 HDABLO COCCN1CC[C@@]2(CN(C(=O)c3ccc(C)s3)C[C@@H]2c2cn(C)c[nH+]2)C1=O ZINC000306127307 568889929 /nfs/dbraw/zinc/88/99/29/568889929.db2.gz FUUHDWYXOCSQGM-QRWLVFNGSA-N 1 2 402.520 1.895 40 0 HDABLO CCNC(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1ccnc(N3CCOCC3)c1)CCO2 ZINC000306129540 568892128 /nfs/dbraw/zinc/89/21/28/568892128.db2.gz IGNKNYGXORJREN-UGKGYDQZSA-N 1 2 417.554 1.751 40 0 HDABLO CCNC(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1ccnc(N3CCOCC3)c1)CCO2 ZINC000306129540 568892129 /nfs/dbraw/zinc/89/21/29/568892129.db2.gz IGNKNYGXORJREN-UGKGYDQZSA-N 1 2 417.554 1.751 40 0 HDABLO CCCS(=O)(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(CCOC)C2=O)C1 ZINC000306132994 568894973 /nfs/dbraw/zinc/89/49/73/568894973.db2.gz LYMAGILTPBDABV-VQIMIIECSA-N 1 2 412.556 1.468 40 0 HDABLO Cc1nc(C[N@H+]2C[C@@H]3C(N4CCC(C(=O)NC5CCC5)CC4)=NO[C@@H]3C2)cs1 ZINC000306133561 568895702 /nfs/dbraw/zinc/89/57/02/568895702.db2.gz MPLYCEKUXJSVMT-ZWKOTPCHSA-N 1 2 403.552 1.976 40 0 HDABLO Cc1nc(C[N@@H+]2C[C@@H]3C(N4CCC(C(=O)NC5CCC5)CC4)=NO[C@@H]3C2)cs1 ZINC000306133561 568895705 /nfs/dbraw/zinc/89/57/05/568895705.db2.gz MPLYCEKUXJSVMT-ZWKOTPCHSA-N 1 2 403.552 1.976 40 0 HDABLO CN(C)C(=O)N1CCC[C@@H]1c1nc(C(=O)NCC[NH+]2CCOCC2)c2ccccn21 ZINC000306138663 568900612 /nfs/dbraw/zinc/90/06/12/568900612.db2.gz SDVHCEWRLBLSRL-QGZVFWFLSA-N 1 2 414.510 1.215 40 0 HDABLO COCCN1CC[C@@]2(CN(C(=O)N3CCCC3)C[C@H]2c2cn(C(C)C)c[nH+]2)C1=O ZINC000306142790 568904442 /nfs/dbraw/zinc/90/44/42/568904442.db2.gz XKBUASBGWYKRGA-UWJYYQICSA-N 1 2 403.527 1.944 40 0 HDABLO CC(C)n1c[nH+]c([C@H]2CN(S(=O)(=O)N(C)C)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306144817 568906267 /nfs/dbraw/zinc/90/62/67/568906267.db2.gz ZPHYPYHDWCWKCT-APWZRJJASA-N 1 2 409.556 1.298 40 0 HDABLO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(N)=O)[N@H+]2C=Cc4ccccc4[C@@H]32)cc1 ZINC000101621253 569014378 /nfs/dbraw/zinc/01/43/78/569014378.db2.gz CDAIJJBBUPFJTH-ZRNYENFQSA-N 1 2 401.422 1.890 40 0 HDABLO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(N)=O)[N@@H+]2C=Cc4ccccc4[C@@H]32)cc1 ZINC000101621253 569014379 /nfs/dbraw/zinc/01/43/79/569014379.db2.gz CDAIJJBBUPFJTH-ZRNYENFQSA-N 1 2 401.422 1.890 40 0 HDABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2=O)C1 ZINC000250706749 569317010 /nfs/dbraw/zinc/31/70/10/569317010.db2.gz WNCNBJCXNFPBIT-HIFRSBDPSA-N 1 2 420.462 1.619 40 0 HDABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2=O)C1 ZINC000250706749 569317011 /nfs/dbraw/zinc/31/70/11/569317011.db2.gz WNCNBJCXNFPBIT-HIFRSBDPSA-N 1 2 420.462 1.619 40 0 HDABLO Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)N3CC[NH+](C)CC3)n2C)c1 ZINC000143116835 569355094 /nfs/dbraw/zinc/35/50/94/569355094.db2.gz RUWFNPBVNUQHNR-OAHLLOKOSA-N 1 2 416.551 1.481 40 0 HDABLO C[NH+](C)CCCNc1nc(NNc2ccc(S(=O)(=O)[O-])cc2)cc(C2CC2)[nH+]1 ZINC000328982238 571304526 /nfs/dbraw/zinc/30/45/26/571304526.db2.gz GYZHVJYJZZAYFM-UHFFFAOYSA-N 1 2 406.512 2.403 40 0 HDABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)N3CCOCC3)CC[N@@H+]21 ZINC000253400286 291192047 /nfs/dbraw/zinc/19/20/47/291192047.db2.gz LBFUGVSNBUNMRD-IBGZPJMESA-N 1 2 415.538 1.429 40 0 biogenic,in-vitro HDABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)N3CCOCC3)CC[N@H+]21 ZINC000253400286 291192049 /nfs/dbraw/zinc/19/20/49/291192049.db2.gz LBFUGVSNBUNMRD-IBGZPJMESA-N 1 2 415.538 1.429 40 0 biogenic,in-vitro HDABLO CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3cnc4ccccc4c3)C2)C1=O ZINC000225384356 291192490 /nfs/dbraw/zinc/19/24/90/291192490.db2.gz WLOVVNVEOHFIDO-QUCCMNQESA-N 1 2 408.502 1.393 40 0 biogenic,in-vitro HDABLO Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](Cc4cccs4)C3)C2=O)o1 ZINC000225398340 291198613 /nfs/dbraw/zinc/19/86/13/291198613.db2.gz AUIHWPQVFYFORZ-PBHICJAKSA-N 1 2 401.488 1.208 40 0 biogenic,in-vitro HDABLO COc1ccccc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000044903827 524528787 /nfs/dbraw/zinc/52/87/87/524528787.db2.gz QCLQBSLHIGVVHL-UHFFFAOYSA-N 1 2 414.487 1.963 40 0 HDABLO Nc1nc(N2CCOCC2)[nH+]c2c1[C@H](C(=O)Nc1ccccc1Cl)CC(=O)N2 ZINC000020800020 527556243 /nfs/dbraw/zinc/55/62/43/527556243.db2.gz VCBYATUJWZWNHT-SNVBAGLBSA-N 1 2 402.842 1.613 40 0 HDABLO CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1cc(OC)cc(OC)c1 ZINC000408558164 557455236 /nfs/dbraw/zinc/45/52/36/557455236.db2.gz SARJFTDNBVMYTB-UHFFFAOYSA-N 1 2 405.524 1.848 40 0 HDABLO COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCn2cc[nH+]c2)cc1Cl ZINC000408587861 557491346 /nfs/dbraw/zinc/49/13/46/557491346.db2.gz CMFUMLYBRPVYJT-GFCCVEGCSA-N 1 2 400.888 1.418 40 0 HDABLO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCn3cc[nH+]c3)C2)cc1C ZINC000408590521 557501385 /nfs/dbraw/zinc/50/13/85/557501385.db2.gz HRNPTFORUFQETN-KRWDZBQOSA-N 1 2 420.535 1.807 40 0 HDABLO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000408591755 557504583 /nfs/dbraw/zinc/50/45/83/557504583.db2.gz KEZDDYZLXKOPDW-KRWDZBQOSA-N 1 2 420.535 1.807 40 0 HDABLO CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)[C@@H]3C1=O ZINC000036748644 557852180 /nfs/dbraw/zinc/85/21/80/557852180.db2.gz PNEAVYGCPZHBQC-BANDYGIESA-N 1 2 424.476 1.955 40 0 HDABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)CC(=O)N2 ZINC000019819897 558290197 /nfs/dbraw/zinc/29/01/97/558290197.db2.gz PLCSLKGMRHPPBX-ZDUSSCGKSA-N 1 2 424.461 1.885 40 0 HDABLO COc1ccccc1[C@H](CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)[NH+](C)C ZINC000012239228 558359911 /nfs/dbraw/zinc/35/99/11/558359911.db2.gz MWHBIHDHDOEFLZ-INIZCTEOSA-N 1 2 405.476 1.721 40 0 HDABLO COc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1S(=O)(=O)N1CCCCC1 ZINC000014291856 558651882 /nfs/dbraw/zinc/65/18/82/558651882.db2.gz CVCMAPSHNAVMGA-UHFFFAOYSA-N 1 2 406.508 1.886 40 0 HDABLO COc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)c1OC ZINC000016740347 558803288 /nfs/dbraw/zinc/80/32/88/558803288.db2.gz YJHNXGDSIZDQDR-UHFFFAOYSA-N 1 2 419.503 1.892 40 0 HDABLO O=C1C[C@H](c2ccco2)Cc2c1cnc1nc(NCC[NH+]3CCOCC3)[nH]c(=O)c12 ZINC000038829493 558816255 /nfs/dbraw/zinc/81/62/55/558816255.db2.gz GWIZYTWTHXGKIF-CYBMUJFWSA-N 1 2 409.446 1.568 40 0 HDABLO CCOc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000048376579 558844979 /nfs/dbraw/zinc/84/49/79/558844979.db2.gz BWLYNFXKOHYJSD-UHFFFAOYSA-N 1 2 417.531 1.951 40 0 HDABLO Cc1csc2c([C@@H]3CCCN(S(=O)(=O)[C@@H]4CCS(=O)(=O)C4)C3)[nH+]c(C)n12 ZINC000019240469 558859052 /nfs/dbraw/zinc/85/90/52/558859052.db2.gz APSQMUISCWFQLH-ZIAGYGMSSA-N 1 2 417.578 1.709 40 0 HDABLO CC1CCN(S(=O)(=O)N2CC[NH+](C[C@H](O)c3c[nH]c4ccc(F)cc43)CC2)CC1 ZINC000019496929 558895730 /nfs/dbraw/zinc/89/57/30/558895730.db2.gz OCJLFMSNGJKANU-FQEVSTJZSA-N 1 2 424.542 1.935 40 0 HDABLO CC1CCN(S(=O)(=O)N2CC[NH+](C[C@@H](O)c3c[nH]c4ccc(F)cc43)CC2)CC1 ZINC000019496928 558895772 /nfs/dbraw/zinc/89/57/72/558895772.db2.gz OCJLFMSNGJKANU-HXUWFJFHSA-N 1 2 424.542 1.935 40 0 HDABLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1sc(N)nc1-c1ccc2c(c1)OCCO2 ZINC000019719221 558982987 /nfs/dbraw/zinc/98/29/87/558982987.db2.gz UCMCDRMXKKCIGY-CYBMUJFWSA-N 1 2 418.519 1.543 40 0 HDABLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(C(=O)c4ccnnc4)CC3)C2=O)cs1 ZINC000096050112 559092074 /nfs/dbraw/zinc/09/20/74/559092074.db2.gz BJFUNKXWRMUREB-UHFFFAOYSA-N 1 2 400.508 1.191 40 0 HDABLO Cc1nc(CN2CC[N@H+](C)C3(CCN(C(=O)c4ccnnc4)CC3)C2=O)cs1 ZINC000096050112 559092077 /nfs/dbraw/zinc/09/20/77/559092077.db2.gz BJFUNKXWRMUREB-UHFFFAOYSA-N 1 2 400.508 1.191 40 0 HDABLO O=C(c1ccoc1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251478 559105423 /nfs/dbraw/zinc/10/54/23/559105423.db2.gz RBVDLURTGDSKBH-CVDCTZTESA-N 1 2 424.501 1.892 40 0 HDABLO Cc1cccc(C[N@@H+]2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC000096252049 559105713 /nfs/dbraw/zinc/10/57/13/559105713.db2.gz BWJFSVIKFBCMPE-RBUKOAKNSA-N 1 2 414.531 1.518 40 0 HDABLO Cc1cccc(C[N@H+]2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC000096252049 559105714 /nfs/dbraw/zinc/10/57/14/559105714.db2.gz BWJFSVIKFBCMPE-RBUKOAKNSA-N 1 2 414.531 1.518 40 0 HDABLO Cn1c(C(=O)N2CC[NH+](C)CC2)nc2c1CCN(c1ccc(C(F)(F)F)cn1)C2 ZINC000096264870 559107528 /nfs/dbraw/zinc/10/75/28/559107528.db2.gz FECYMJZFEUAJDM-UHFFFAOYSA-N 1 2 408.428 1.784 40 0 HDABLO CN1CC[NH+](CC(C)(C)CNC(=O)[C@@H]2[C@H]3C(=O)Nc4ccccc4C(=O)[C@]23C)CC1 ZINC000100217330 559132052 /nfs/dbraw/zinc/13/20/52/559132052.db2.gz ZGXLLZCZEVILQJ-IUKKYPGJSA-N 1 2 412.534 1.464 40 0 HDABLO COc1ccc([C@H]2CC(=O)c3cnc(N4CC[NH+](CCO)CC4)nc3C2)cc1OC ZINC000021123171 568461669 /nfs/dbraw/zinc/46/16/69/568461669.db2.gz LVOAZAUYBJNQRT-MRXNPFEDSA-N 1 2 412.490 1.521 40 0 HDABLO O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(CN(Cc3c[nH+]c[nH]3)C2)C1 ZINC000604382005 568489408 /nfs/dbraw/zinc/48/94/08/568489408.db2.gz YMYHWURGQMNOSB-GOSISDBHSA-N 1 2 401.898 1.474 40 0 biogenic,in-vitro HDABLO O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(CN(Cc3c[nH]c[nH+]3)C2)C1 ZINC000604382005 568489409 /nfs/dbraw/zinc/48/94/09/568489409.db2.gz YMYHWURGQMNOSB-GOSISDBHSA-N 1 2 401.898 1.474 40 0 biogenic,in-vitro HDABLO COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH+](Cc4cccnc4)C3)C2)c1 ZINC000604382324 568489576 /nfs/dbraw/zinc/48/95/76/568489576.db2.gz OBPIMWJCOCODCV-HXUWFJFHSA-N 1 2 408.502 1.501 40 0 biogenic,in-vitro HDABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCC(O)CC3)cc2c1 ZINC000057531009 568493554 /nfs/dbraw/zinc/49/35/54/568493554.db2.gz BTQHRABFPHDVAL-SFHVURJKSA-N 1 2 412.494 1.824 40 0 HDABLO CC(=O)NCC(=O)N1CC[C@H](c2n[nH]cc2-c2cc[nH+]c(NCC3=CCCOC3)c2)C1 ZINC000257301136 568804627 /nfs/dbraw/zinc/80/46/27/568804627.db2.gz RXDFHJPOHPDAER-SFHVURJKSA-N 1 2 424.505 1.682 40 0 HDABLO O=C(C[C@@H]1CCCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1)NCCn1cc[nH+]c1 ZINC000257306227 568806359 /nfs/dbraw/zinc/80/63/59/568806359.db2.gz STJOOCNMWBLWNU-AWEZNQCLSA-N 1 2 412.416 1.544 40 0 HDABLO Cn1c(=O)oc2cc(NC(=O)C[N@@H+]3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)ccc21 ZINC000257319853 568810545 /nfs/dbraw/zinc/81/05/45/568810545.db2.gz VUHWIAXDRWBHHJ-UGKGYDQZSA-N 1 2 411.458 1.974 40 0 HDABLO Cn1c(=O)oc2cc(NC(=O)C[N@H+]3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)ccc21 ZINC000257319853 568810547 /nfs/dbraw/zinc/81/05/47/568810547.db2.gz VUHWIAXDRWBHHJ-UGKGYDQZSA-N 1 2 411.458 1.974 40 0 HDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](CC(=O)Nc1cccc3c1CCCC3)C[C@@H]2O ZINC000257338188 568815460 /nfs/dbraw/zinc/81/54/60/568815460.db2.gz YWIYMHXULKDYIU-FPOVZHCZSA-N 1 2 421.563 1.365 40 0 HDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@@H+](CC(=O)Nc1cccc3c1CCCC3)C[C@@H]2O ZINC000257338188 568815463 /nfs/dbraw/zinc/81/54/63/568815463.db2.gz YWIYMHXULKDYIU-FPOVZHCZSA-N 1 2 421.563 1.365 40 0 HDABLO Cn1c[nH+]cc1CNc1ncc2c(n1)[C@@]1(CCN(C(=O)C3CC(F)(F)C3)C1)COC2 ZINC000306139553 568901281 /nfs/dbraw/zinc/90/12/81/568901281.db2.gz TTWRLQBEEVHQFO-LJQANCHMSA-N 1 2 418.448 1.868 40 0 HDABLO COCCN1CC[C@]2(CN(C(=O)N3CCCC3)C[C@H]2c2cn(C(C)C)c[nH+]2)C1=O ZINC000306142788 568904399 /nfs/dbraw/zinc/90/43/99/568904399.db2.gz XKBUASBGWYKRGA-LAUBAEHRSA-N 1 2 403.527 1.944 40 0 HDABLO Cn1nnc2c1ncnc2N1CC[NH+](CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000013533795 569255792 /nfs/dbraw/zinc/25/57/92/569255792.db2.gz PNNXDWTURMPTQT-UHFFFAOYSA-N 1 2 420.399 1.538 40 0 HDABLO CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)N1CC[NH+](C)CC1 ZINC000166331851 569355356 /nfs/dbraw/zinc/35/53/56/569355356.db2.gz XPUIHFYKHVQTJT-UHFFFAOYSA-N 1 2 416.551 1.403 40 0 HDABLO O=C(CCc1nc(-c2ccc(Br)cc2)no1)NCC[NH+]1CCOCC1 ZINC000225821147 526644087 /nfs/dbraw/zinc/64/40/87/526644087.db2.gz SJJDOTJGPVWUEJ-UHFFFAOYSA-N 1 2 409.284 1.880 40 0 HDABLO CCOC(=O)Nc1cc(S(=O)(=O)NCCC[NH+]2CCOCC2)ccc1OC ZINC000408588036 557491697 /nfs/dbraw/zinc/49/16/97/557491697.db2.gz WKNQIIZHTYRQCN-UHFFFAOYSA-N 1 2 401.485 1.264 40 0 HDABLO Cc1cccc(N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2ccccc2)c1 ZINC000408631031 557568966 /nfs/dbraw/zinc/56/89/66/557568966.db2.gz ZFHGBBNIEDLYQC-UHFFFAOYSA-N 1 2 417.531 1.639 40 0 HDABLO CCOCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C ZINC000010363837 557861658 /nfs/dbraw/zinc/86/16/58/557861658.db2.gz DQILFIYBUFLERG-UHFFFAOYSA-N 1 2 414.441 1.317 40 0 HDABLO Nc1nc(N2CCOCC2)[nH+]c2c1[C@H](C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 ZINC000019974079 558317103 /nfs/dbraw/zinc/31/71/03/558317103.db2.gz KHNPMHIHRAPOFL-SNVBAGLBSA-N 1 2 420.832 1.752 40 0 HDABLO COc1cc(C[NH+]2CCN(C(=O)c3ccc(C)n(C)c3=O)CC2)cc(OC)c1OC ZINC000019131683 558845508 /nfs/dbraw/zinc/84/55/08/558845508.db2.gz PRPCXGWXUUDXTP-UHFFFAOYSA-N 1 2 415.490 1.678 40 0 HDABLO Cc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)C3)c2N)cc1 ZINC000019213201 558849045 /nfs/dbraw/zinc/84/90/45/558849045.db2.gz VKGKHOYFTMUHTD-QGZVFWFLSA-N 1 2 411.506 1.516 40 0 HDABLO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000019456221 558892159 /nfs/dbraw/zinc/89/21/59/558892159.db2.gz WXBGNPRQUYMVEN-OAHLLOKOSA-N 1 2 415.490 1.407 40 0 HDABLO Cc1c(C[NH+]2CCN(S(=O)(=O)N3CCCC3)CC2)c(-c2ccccc2)nn1C ZINC000019715870 558977393 /nfs/dbraw/zinc/97/73/93/558977393.db2.gz VMIQBSCWLNTTTG-UHFFFAOYSA-N 1 2 403.552 1.854 40 0 HDABLO CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000095883187 559088794 /nfs/dbraw/zinc/08/87/94/559088794.db2.gz BRPOJDIKCJVRRZ-IBGZPJMESA-N 1 2 423.579 1.586 40 0 HDABLO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccccc3)[C@H]([NH+]3CCOCC3)[C@H]2O)c1 ZINC000585262332 559110848 /nfs/dbraw/zinc/11/08/48/559110848.db2.gz IKGOKKSJPRLRPJ-CZYKHXBRSA-N 1 2 412.486 1.707 40 0 HDABLO COc1ccc([C@H]2[NH+]=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)c(OC)c1OC ZINC000104279799 559159883 /nfs/dbraw/zinc/15/98/83/559159883.db2.gz YGKNEUARSGEGQE-SFHVURJKSA-N 1 2 415.450 1.238 40 0 HDABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCCO)Cc3nnnn3Cc3ccco3)cc2c1 ZINC000004847543 560609377 /nfs/dbraw/zinc/60/93/77/560609377.db2.gz MVVBRURQLVOPDX-UHFFFAOYSA-N 1 2 408.462 1.849 40 0 HDABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)Cc3nnnn3Cc3ccco3)cc2c1 ZINC000004847543 560609378 /nfs/dbraw/zinc/60/93/78/560609378.db2.gz MVVBRURQLVOPDX-UHFFFAOYSA-N 1 2 408.462 1.849 40 0 HDABLO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1cccs1)[NH2+][C@@]2(Cc1ccc(O)cc1)C(=O)OC ZINC000100420812 560724525 /nfs/dbraw/zinc/72/45/25/560724525.db2.gz OVMFQWRYXSAZGP-NWZZKEMCSA-N 1 2 414.483 1.874 40 0 HDABLO Cc1nn2c(ncc(C(=O)N3CC[NH+](CCOc4cccc(C)c4C)CC3)c2=O)[nH]1 ZINC000100772981 560726356 /nfs/dbraw/zinc/72/63/56/560726356.db2.gz MSQILXMGSVMONU-UHFFFAOYSA-N 1 2 410.478 1.180 40 0 HDABLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000105058367 560737262 /nfs/dbraw/zinc/73/72/62/560737262.db2.gz ZCIOIOIFXUDNKH-OAHLLOKOSA-N 1 2 415.943 1.189 40 0 HDABLO O=C(Nc1ccc(F)cc1)[C@H]1C=C([O-])NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+]1 ZINC000014606978 560846698 /nfs/dbraw/zinc/84/66/98/560846698.db2.gz YUJYDMYJADHEMA-LJQANCHMSA-N 1 2 409.465 1.827 40 0 HDABLO CCC[C@@H](c1nnnn1CCOC)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020140173 560881358 /nfs/dbraw/zinc/88/13/58/560881358.db2.gz OGHGDKLWEHTQIC-KRWDZBQOSA-N 1 2 402.499 1.707 40 0 HDABLO O=C(NCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000218785403 568483636 /nfs/dbraw/zinc/48/36/36/568483636.db2.gz JCLOQQQOAUQVEB-UHFFFAOYSA-N 1 2 423.579 1.109 40 0 HDABLO Cc1c(Cl)cccc1N(CCCC(=O)NCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000222667801 568522888 /nfs/dbraw/zinc/52/28/88/568522888.db2.gz VCFYQXPHNILNHP-UHFFFAOYSA-N 1 2 417.959 1.643 40 0 HDABLO COc1cc(C[NH+]2CCN(C(=S)NC[C@H]3CCCO3)CC2)cc(OC)c1OC ZINC000225225015 568624568 /nfs/dbraw/zinc/62/45/68/568624568.db2.gz JZQCLTFKQYVSBQ-MRXNPFEDSA-N 1 2 409.552 1.884 40 0 HDABLO COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCCn1cc[nH+]c1 ZINC000225585676 568654653 /nfs/dbraw/zinc/65/46/53/568654653.db2.gz DZOPTEFTFSUKAB-UHFFFAOYSA-N 1 2 420.535 1.815 40 0 HDABLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(Nc3ccc(F)cn3)n2)C1)N1CCOCC1 ZINC000257200232 568776194 /nfs/dbraw/zinc/77/61/94/568776194.db2.gz ACNKNUNARGHDMI-SFHVURJKSA-N 1 2 415.469 1.982 40 0 HDABLO O=C(CC[N@H+]1CCO[C@H](c2cccc(Nc3ccc(F)cn3)n2)C1)N1CCOCC1 ZINC000257200232 568776197 /nfs/dbraw/zinc/77/61/97/568776197.db2.gz ACNKNUNARGHDMI-SFHVURJKSA-N 1 2 415.469 1.982 40 0 HDABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@](C)(O)[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000257261256 568793254 /nfs/dbraw/zinc/79/32/54/568793254.db2.gz LGLCJKQRGABZFQ-DYESRHJHSA-N 1 2 411.462 1.140 40 0 HDABLO CC(C)(C)c1ccccc1OCC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257286660 568800453 /nfs/dbraw/zinc/80/04/53/568800453.db2.gz PMLGDGXYKALUKB-OPYAIIAOSA-N 1 2 406.523 1.018 40 0 HDABLO Cn1cc(C[N@@H+]2CCO[C@@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)cn1 ZINC000306125251 568888213 /nfs/dbraw/zinc/88/82/13/568888213.db2.gz CKMWQCOQDLLEAM-QGZVFWFLSA-N 1 2 405.466 1.599 40 0 HDABLO Cn1cc(C[N@H+]2CCO[C@@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)cn1 ZINC000306125251 568888214 /nfs/dbraw/zinc/88/82/14/568888214.db2.gz CKMWQCOQDLLEAM-QGZVFWFLSA-N 1 2 405.466 1.599 40 0 HDABLO O=S1(=O)c2cccnc2O[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]2N1Cc1ccccn1 ZINC000306131283 568893601 /nfs/dbraw/zinc/89/36/01/568893601.db2.gz KABNOXYMXHEHNU-MOPGFXCFSA-N 1 2 423.498 1.708 40 0 HDABLO O=S1(=O)c2cccnc2O[C@H]2C[N@H+](Cc3ccncc3)C[C@H]2N1Cc1ccccn1 ZINC000306131283 568893603 /nfs/dbraw/zinc/89/36/03/568893603.db2.gz KABNOXYMXHEHNU-MOPGFXCFSA-N 1 2 423.498 1.708 40 0 HDABLO Cn1c[nH+]c([C@H]2CN(C(=O)c3ccn(C)n3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306131895 568894273 /nfs/dbraw/zinc/89/42/73/568894273.db2.gz KSFGFKZVVWDDRL-VGOFRKELSA-N 1 2 419.489 1.207 40 0 HDABLO CN1CC=CC[C@@]2(C[N@H+](CC(=O)N3CCC(Cc4ccccc4)CC3)CCO2)C1=O ZINC000019704451 569347622 /nfs/dbraw/zinc/34/76/22/569347622.db2.gz CIAZLTCQGHZLDH-XMMPIXPASA-N 1 2 411.546 1.957 40 0 HDABLO CN1CC=CC[C@@]2(C[N@@H+](CC(=O)N3CCC(Cc4ccccc4)CC3)CCO2)C1=O ZINC000019704451 569347623 /nfs/dbraw/zinc/34/76/23/569347623.db2.gz CIAZLTCQGHZLDH-XMMPIXPASA-N 1 2 411.546 1.957 40 0 HDABLO NC(=O)c1ccc(C2CCN(C(=O)[C@@H]3CCCN(c4cccc[nH+]4)C3)CC2)nc1N ZINC000019765998 569349071 /nfs/dbraw/zinc/34/90/71/569349071.db2.gz WOGDTUHAXLNPLS-MRXNPFEDSA-N 1 2 408.506 1.780 40 0 HDABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccoc3)C2)C(=O)N1Cc1cccc(Cl)c1 ZINC000225388701 291201827 /nfs/dbraw/zinc/20/18/27/291201827.db2.gz YMTGXJBATRHRRL-MSOLQXFVSA-N 1 2 415.877 1.492 40 0 biogenic,in-vitro HDABLO C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000408587650 557490990 /nfs/dbraw/zinc/49/09/90/557490990.db2.gz BTVMUEQIRJVHEK-GFCCVEGCSA-N 1 2 415.313 1.519 40 0 HDABLO Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000408629543 557571363 /nfs/dbraw/zinc/57/13/63/557571363.db2.gz DBSJLEJYCIEEBJ-UHFFFAOYSA-N 1 2 417.531 1.882 40 0 HDABLO CCN1C(=O)[C@H]2[C@H](c3cccs3)[NH2+][C@@](Cc3ccc(O)cc3)(C(=O)OC)[C@@H]2C1=O ZINC000020150541 558340609 /nfs/dbraw/zinc/34/06/09/558340609.db2.gz OVMFQWRYXSAZGP-MXTNKPTQSA-N 1 2 414.483 1.874 40 0 HDABLO O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCC[NH+]1CCOCC1 ZINC000016490351 558794621 /nfs/dbraw/zinc/79/46/21/558794621.db2.gz LWKALEKSVAYPNQ-UHFFFAOYSA-N 1 2 419.503 1.315 40 0 HDABLO COc1cc2ncn(CC3(O)CC[NH+](CC(=O)OC(C)C)CC3)c(=O)c2cc1OC ZINC000019450372 558888904 /nfs/dbraw/zinc/88/89/04/558888904.db2.gz ZXOHWEYVKRQPSK-UHFFFAOYSA-N 1 2 419.478 1.192 40 0 HDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(N4C[C@@H](C)O[C@H](C)C4)nc3C2)cc1CO ZINC000072347285 558944265 /nfs/dbraw/zinc/94/42/65/558944265.db2.gz CHKVKIQUPYAFCR-HUUCEWRRSA-N 1 2 414.506 1.855 40 0 HDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(N4C[C@@H](C)O[C@H](C)C4)nc3C2)cc1CO ZINC000072347285 558944267 /nfs/dbraw/zinc/94/42/67/558944267.db2.gz CHKVKIQUPYAFCR-HUUCEWRRSA-N 1 2 414.506 1.855 40 0 HDABLO Cc1nnsc1C(=O)N1CCC[C@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000019708162 558970201 /nfs/dbraw/zinc/97/02/01/558970201.db2.gz FIYOCFOVSHKBFA-INIZCTEOSA-N 1 2 400.508 1.606 40 0 HDABLO Cc1ccc(S(=O)(=O)N2Cc3c[nH+]cn3[C@H](C(=O)NCc3ccco3)C2)cc1 ZINC000585096095 559023475 /nfs/dbraw/zinc/02/34/75/559023475.db2.gz QNJHIMHCICZWQM-SFHVURJKSA-N 1 2 400.460 1.847 40 0 HDABLO CCOC(=O)[C@@H]1CN(c2ncccn2)C[C@@H]2CN(C(=O)c3ccccc3C)CC[N@@H+]2C1 ZINC000585108181 559029998 /nfs/dbraw/zinc/02/99/98/559029998.db2.gz NBXLKEDMGWZQFE-OALUTQOASA-N 1 2 423.517 1.611 40 0 HDABLO CCOC(=O)[C@@H]1CN(c2ncccn2)C[C@@H]2CN(C(=O)c3ccccc3C)CC[N@H+]2C1 ZINC000585108181 559029999 /nfs/dbraw/zinc/02/99/99/559029999.db2.gz NBXLKEDMGWZQFE-OALUTQOASA-N 1 2 423.517 1.611 40 0 HDABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)C1CCOCC1)CCC2 ZINC000096056136 559094013 /nfs/dbraw/zinc/09/40/13/559094013.db2.gz PFSFKHCSEIXGNM-AVRDEDQJSA-N 1 2 400.523 1.641 40 0 HDABLO CC[N@@H+]1CCN(c2ccc(C)nc2)C(=O)C12CCN(C(=O)C1CCOCC1)CC2 ZINC000096230370 559102996 /nfs/dbraw/zinc/10/29/96/559102996.db2.gz XQUDGAQISIHMAW-UHFFFAOYSA-N 1 2 400.523 1.846 40 0 HDABLO CC[N@H+]1CCN(c2ccc(C)nc2)C(=O)C12CCN(C(=O)C1CCOCC1)CC2 ZINC000096230370 559102997 /nfs/dbraw/zinc/10/29/97/559102997.db2.gz XQUDGAQISIHMAW-UHFFFAOYSA-N 1 2 400.523 1.846 40 0 HDABLO Cc1ccsc1C(=O)N1CCc2[nH+]c(N3CCOCC3)nc(N(C)C)c2CC1 ZINC000096254896 559105842 /nfs/dbraw/zinc/10/58/42/559105842.db2.gz WVQHVUDEMLCDRX-UHFFFAOYSA-N 1 2 401.536 1.990 40 0 HDABLO COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1OC ZINC000170551438 560767383 /nfs/dbraw/zinc/76/73/83/560767383.db2.gz VMFVIRAFJQTMTF-UHFFFAOYSA-N 1 2 419.503 1.892 40 0 HDABLO Cn1c[nH+]cc1CN1CC2(C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@H]1COCCN12 ZINC000604381780 568489231 /nfs/dbraw/zinc/48/92/31/568489231.db2.gz OCTZETUGFAZCEW-LJQANCHMSA-N 1 2 415.925 1.485 40 0 biogenic,in-vitro HDABLO CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C[C@@H](O)C[NH+]1CCN(Cc3ccccc3)CC1)C2=O ZINC000022935448 568500721 /nfs/dbraw/zinc/50/07/21/568500721.db2.gz KJKAHKQPGIOZFJ-ROKPMTFOSA-N 1 2 413.562 1.976 40 0 HDABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220436119 568505598 /nfs/dbraw/zinc/50/55/98/568505598.db2.gz ZJRQCYKESRWLHD-LBPRGKRZSA-N 1 2 424.350 1.596 40 0 HDABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1S(N)(=O)=O ZINC000223039882 568535239 /nfs/dbraw/zinc/53/52/39/568535239.db2.gz SFMBHRZJFSGQAK-VMPITWQZSA-N 1 2 415.515 1.814 40 0 HDABLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCn3cc[nH+]c3)CC2)cc1 ZINC000028201769 568594343 /nfs/dbraw/zinc/59/43/43/568594343.db2.gz VTIHSDZBKBRNBP-UHFFFAOYSA-N 1 2 420.535 1.889 40 0 HDABLO COC(=O)c1ccccc1NC(=S)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000225218823 568624081 /nfs/dbraw/zinc/62/40/81/568624081.db2.gz OXJUORYJMJSCID-UHFFFAOYSA-N 1 2 400.508 1.372 40 0 HDABLO CCn1c(C)nc2cc(C(=O)N(C)[C@@H]3CCC[C@@H]([N@@H+]4CCNC(=O)C4)[C@@H]3O)ccc21 ZINC000257213104 568779982 /nfs/dbraw/zinc/77/99/82/568779982.db2.gz CGEVJBVQBMNLQZ-SFHLNBCPSA-N 1 2 413.522 1.150 40 0 HDABLO CCn1c(C)nc2cc(C(=O)N(C)[C@@H]3CCC[C@@H]([N@H+]4CCNC(=O)C4)[C@@H]3O)ccc21 ZINC000257213104 568779984 /nfs/dbraw/zinc/77/99/84/568779984.db2.gz CGEVJBVQBMNLQZ-SFHLNBCPSA-N 1 2 413.522 1.150 40 0 HDABLO CCn1ccc(C(=O)N2CCC[C@H](CC(=O)N3CC[NH+](Cc4ccccn4)CC3)C2)n1 ZINC000257227534 568784112 /nfs/dbraw/zinc/78/41/12/568784112.db2.gz FPUJBAUALRINNS-LJQANCHMSA-N 1 2 424.549 1.885 40 0 HDABLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@@](C)(O)[C@H](n2ccc(=O)[nH]c2=O)C1 ZINC000257266156 568794370 /nfs/dbraw/zinc/79/43/70/568794370.db2.gz MBUVNPGMVIXEIE-DYESRHJHSA-N 1 2 411.462 1.222 40 0 HDABLO CCc1[nH+]c2ccccc2n1CCC(=O)N1C[C@@H](O)[C@H](n2cnc3c2ncnc3N)C1 ZINC000257311966 568807880 /nfs/dbraw/zinc/80/78/80/568807880.db2.gz ULTXVXMSEUACSA-HZPDHXFCSA-N 1 2 420.477 1.155 40 0 HDABLO COCCN1CC[C@@]2(CN(C(=O)c3ccc(C)s3)C[C@H]2c2cn(C)c[nH+]2)C1=O ZINC000306127308 568890040 /nfs/dbraw/zinc/89/00/40/568890040.db2.gz FUUHDWYXOCSQGM-YWZLYKJASA-N 1 2 402.520 1.895 40 0 HDABLO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@]1(CC[N@H+](Cc3nccs3)C1)C2 ZINC000306129063 568891683 /nfs/dbraw/zinc/89/16/83/568891683.db2.gz HTJQRFKZEZUCMK-FQEVSTJZSA-N 1 2 417.535 1.617 40 0 HDABLO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@]1(CC[N@@H+](Cc3nccs3)C1)C2 ZINC000306129063 568891684 /nfs/dbraw/zinc/89/16/84/568891684.db2.gz HTJQRFKZEZUCMK-FQEVSTJZSA-N 1 2 417.535 1.617 40 0 HDABLO COc1ccc([C@H](CNC(=S)N[C@]2(C)CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575420484 569026009 /nfs/dbraw/zinc/02/60/09/569026009.db2.gz CCQMUMNXXNIPPC-PKOBYXMFSA-N 1 2 411.593 1.873 40 0 HDABLO COc1ccc([C@@H](CNC(=S)N[C@]2(C)CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575420482 569026017 /nfs/dbraw/zinc/02/60/17/569026017.db2.gz CCQMUMNXXNIPPC-IEBWSBKVSA-N 1 2 411.593 1.873 40 0 HDABLO CCN1C(=O)[C@@H]2[C@H](c3cccs3)[NH2+][C@](Cc3ccc(O)cc3)(C(=O)OC)[C@H]2C1=O ZINC000245230299 569313794 /nfs/dbraw/zinc/31/37/94/569313794.db2.gz OVMFQWRYXSAZGP-DLRJPAPCSA-N 1 2 414.483 1.874 40 0 HDABLO NC(=O)c1cccc(-c2ccc([C@@H]3C[N@H+](CCC(=O)N4CCOCC4)CCO3)nc2)c1 ZINC000019692552 569346094 /nfs/dbraw/zinc/34/60/94/569346094.db2.gz RVWIJWOVUYNOPZ-NRFANRHFSA-N 1 2 424.501 1.470 40 0 HDABLO NC(=O)c1cccc(-c2ccc([C@@H]3C[N@@H+](CCC(=O)N4CCOCC4)CCO3)nc2)c1 ZINC000019692552 569346095 /nfs/dbraw/zinc/34/60/95/569346095.db2.gz RVWIJWOVUYNOPZ-NRFANRHFSA-N 1 2 424.501 1.470 40 0 HDABLO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000025767308 569349955 /nfs/dbraw/zinc/34/99/55/569349955.db2.gz UQYDROAALDNSID-FXVWLTTGSA-N 1 2 405.564 1.906 40 0 HDABLO CCc1nnc(Nc2cnc([C@H]3CCCN(C(=O)/C=C/C[NH+](C)C)C3)cn2)s1 ZINC000585292580 571310045 /nfs/dbraw/zinc/31/00/45/571310045.db2.gz OZIDVIRDBQWIBV-OWNNVSBGSA-N 1 2 401.540 2.458 40 0 HDABLO Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](Cc4cccc(F)c4)C3)C2=O)o1 ZINC000225397536 291198599 /nfs/dbraw/zinc/19/85/99/291198599.db2.gz YCEQAQVXRBDAGO-MJGOQNOKSA-N 1 2 413.449 1.286 40 0 biogenic,in-vitro HDABLO O=C(Nc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1)N1CCCCC1 ZINC000408587396 557490687 /nfs/dbraw/zinc/49/06/87/557490687.db2.gz BQZKBKWVHQMPQT-UHFFFAOYSA-N 1 2 410.540 1.705 40 0 HDABLO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH+]3CCOCC3)C2)c(C)c1 ZINC000408593287 557504572 /nfs/dbraw/zinc/50/45/72/557504572.db2.gz NEZPRYQXUCGLSZ-LJQANCHMSA-N 1 2 423.579 1.461 40 0 HDABLO O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCC[NH+]1CCOCC1 ZINC000408624694 557554443 /nfs/dbraw/zinc/55/44/43/557554443.db2.gz TXIFQVVBZJGFLB-UHFFFAOYSA-N 1 2 403.504 1.330 40 0 HDABLO CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCC[NH+]1CCOCC1 ZINC000408630457 557568727 /nfs/dbraw/zinc/56/87/27/557568727.db2.gz UWYGQQIYTPSMDQ-UHFFFAOYSA-N 1 2 417.531 1.715 40 0 HDABLO [NH3+][C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2ccccc2c1 ZINC000002560996 557730840 /nfs/dbraw/zinc/73/08/40/557730840.db2.gz YLDILTQDSGGAFE-ROUUACIJSA-N 1 2 409.446 1.421 40 0 HDABLO [NH3+][C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc2ccccc2c1 ZINC000002560996 557730843 /nfs/dbraw/zinc/73/08/43/557730843.db2.gz YLDILTQDSGGAFE-ROUUACIJSA-N 1 2 409.446 1.421 40 0 HDABLO Cn1c(=O)c2c(C(F)(F)F)cc(C3CC[NH+](Cc4ncc[nH]4)CC3)nc2n(C)c1=O ZINC000019744943 558265529 /nfs/dbraw/zinc/26/55/29/558265529.db2.gz GBFVXYXNCGNQBW-UHFFFAOYSA-N 1 2 422.411 1.754 40 0 HDABLO CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000022253048 558474031 /nfs/dbraw/zinc/47/40/31/558474031.db2.gz QISFWTDEPUARLK-UHFFFAOYSA-N 1 2 410.496 1.506 40 0 HDABLO CC[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714969 558578554 /nfs/dbraw/zinc/57/85/54/558578554.db2.gz WTDFBHQNFWOCKM-INIZCTEOSA-N 1 2 403.932 1.333 40 0 HDABLO CC[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714967 558578576 /nfs/dbraw/zinc/57/85/76/558578576.db2.gz WTDFBHQNFWOCKM-MRXNPFEDSA-N 1 2 403.932 1.333 40 0 HDABLO COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000016740340 558803319 /nfs/dbraw/zinc/80/33/19/558803319.db2.gz WXXGJBOZSRFTJE-UHFFFAOYSA-N 1 2 419.503 1.892 40 0 HDABLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccn2)cc1S(=O)(=O)N1CCOCC1 ZINC000019214691 558849786 /nfs/dbraw/zinc/84/97/86/558849786.db2.gz SEIJRAPGZFMWAC-UHFFFAOYSA-N 1 2 418.519 1.481 40 0 HDABLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccn2)cc1S(=O)(=O)N1CCOCC1 ZINC000019214691 558849787 /nfs/dbraw/zinc/84/97/87/558849787.db2.gz SEIJRAPGZFMWAC-UHFFFAOYSA-N 1 2 418.519 1.481 40 0 HDABLO CN(CCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000053207177 558862975 /nfs/dbraw/zinc/86/29/75/558862975.db2.gz MNAFCDRBXBQYPZ-UHFFFAOYSA-N 1 2 416.547 1.489 40 0 HDABLO O=C1C[C@@H](c2cc(=O)[nH]c(NCC[NH+]3CCOCC3)n2)CN1c1ccc(F)cc1 ZINC000019335293 558869688 /nfs/dbraw/zinc/86/96/88/558869688.db2.gz CGOXMZZKRHWYDC-CQSZACIVSA-N 1 2 401.442 1.174 40 0 HDABLO O=c1[nH]c(-c2cccnc2)nc2c1C[N@H+](Cc1ccnc(N3CCSCC3)n1)CC2 ZINC000019341214 558871819 /nfs/dbraw/zinc/87/18/19/558871819.db2.gz ZKJPXELWINAXNK-UHFFFAOYSA-N 1 2 421.530 1.733 40 0 HDABLO O=c1[nH]c(-c2cccnc2)nc2c1C[N@@H+](Cc1ccnc(N3CCSCC3)n1)CC2 ZINC000019341214 558871823 /nfs/dbraw/zinc/87/18/23/558871823.db2.gz ZKJPXELWINAXNK-UHFFFAOYSA-N 1 2 421.530 1.733 40 0 HDABLO CCc1[nH]c(=O)c(C(=O)N2CC[NH+](Cc3cc(-c4cccnc4)nn3C)CC2)cc1C ZINC000019521451 558902606 /nfs/dbraw/zinc/90/26/06/558902606.db2.gz MHXATJINQBOSKA-UHFFFAOYSA-N 1 2 420.517 1.999 40 0 HDABLO COc1ccccc1N1C[C@H](c2cc(=O)[nH]c(NCC[NH+]3CCOCC3)n2)CC1=O ZINC000019571088 558929652 /nfs/dbraw/zinc/92/96/52/558929652.db2.gz JXHWGFXDCGZZDW-OAHLLOKOSA-N 1 2 413.478 1.043 40 0 HDABLO CS(=O)(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019572390 558930709 /nfs/dbraw/zinc/93/07/09/558930709.db2.gz AVWNRUWFBSYCRZ-QGZVFWFLSA-N 1 2 406.483 1.976 40 0 HDABLO CS(=O)(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019572390 558930711 /nfs/dbraw/zinc/93/07/11/558930711.db2.gz AVWNRUWFBSYCRZ-QGZVFWFLSA-N 1 2 406.483 1.976 40 0 HDABLO CN(C)c1nc([C@H]2CCCCN2C(=O)CN2CCCC2=O)nc2c1C[N@H+](C)CC2 ZINC000019710251 558972121 /nfs/dbraw/zinc/97/21/21/558972121.db2.gz ZBQGLNUBQRHSRT-QGZVFWFLSA-N 1 2 400.527 1.207 40 0 HDABLO CN(C)c1nc([C@H]2CCCCN2C(=O)CN2CCCC2=O)nc2c1C[N@@H+](C)CC2 ZINC000019710251 558972123 /nfs/dbraw/zinc/97/21/23/558972123.db2.gz ZBQGLNUBQRHSRT-QGZVFWFLSA-N 1 2 400.527 1.207 40 0 HDABLO Cc1ccc([C@]2(O)CCN(C(=O)c3cccc(-n4nnnc4C[NH+](C)C)c3)C2)cc1 ZINC000019717753 558980722 /nfs/dbraw/zinc/98/07/22/558980722.db2.gz SVGCRWVHHWLGTD-QFIPXVFZSA-N 1 2 406.490 1.766 40 0 HDABLO CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+](Cc2nccs2)CC3)C1=O ZINC000096036533 559090323 /nfs/dbraw/zinc/09/03/23/559090323.db2.gz QFFPJBYSLWBLPW-GOSISDBHSA-N 1 2 412.581 1.239 40 0 HDABLO Cc1cc(NC(=O)c2ccc3nnc([C@H]4CN(C(=O)N(C)C)CCN4C)n3c2)cc[nH+]1 ZINC000096156773 559100692 /nfs/dbraw/zinc/10/06/92/559100692.db2.gz ODZDSFCUPAGIIV-QGZVFWFLSA-N 1 2 422.493 1.655 40 0 HDABLO C[NH+]1CCN(C(=O)c2ccc3c(c2)[C@H](c2nnc[nH]2)CN3C(=O)c2ccccc2)CC1 ZINC000096267834 559108373 /nfs/dbraw/zinc/10/83/73/559108373.db2.gz NLAPGAGNQHHGFF-LJQANCHMSA-N 1 2 416.485 1.985 40 0 HDABLO C[NH+]1CCN(C(=O)c2ccc3c(c2)[C@H](c2nc[nH]n2)CN3C(=O)c2ccccc2)CC1 ZINC000096267834 559108375 /nfs/dbraw/zinc/10/83/75/559108375.db2.gz NLAPGAGNQHHGFF-LJQANCHMSA-N 1 2 416.485 1.985 40 0 HDABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000220009416 568501228 /nfs/dbraw/zinc/50/12/28/568501228.db2.gz PNKFSQIHFIKCSF-UHFFFAOYSA-N 1 2 417.487 1.912 40 0 HDABLO CCC(=O)Nc1nnc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000223037455 568535130 /nfs/dbraw/zinc/53/51/30/568535130.db2.gz IHRBIUUIXUKUKU-UHFFFAOYSA-N 1 2 409.537 1.613 40 0 HDABLO CCC(=O)Nc1nnc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)s1 ZINC000223037455 568535131 /nfs/dbraw/zinc/53/51/31/568535131.db2.gz IHRBIUUIXUKUKU-UHFFFAOYSA-N 1 2 409.537 1.613 40 0 HDABLO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000025767296 568535231 /nfs/dbraw/zinc/53/52/31/568535231.db2.gz CJHYLDRDEFXBEE-QGZVFWFLSA-N 1 2 423.535 1.121 40 0 HDABLO COC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000223795047 568559312 /nfs/dbraw/zinc/55/93/12/568559312.db2.gz KLRAYHIZTZEONJ-UHFFFAOYSA-N 1 2 417.487 1.662 40 0 HDABLO COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000224462880 568581929 /nfs/dbraw/zinc/58/19/29/568581929.db2.gz IEELLYWLFOTJTH-UHFFFAOYSA-N 1 2 414.487 1.818 40 0 HDABLO Cc1nc2sccn2c(=O)c1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020516267 568623710 /nfs/dbraw/zinc/62/37/10/568623710.db2.gz NQLVJSUXORZBKX-UHFFFAOYSA-N 1 2 404.517 1.571 40 0 HDABLO Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225882576 568683162 /nfs/dbraw/zinc/68/31/62/568683162.db2.gz CAVCCNLORRDMHP-UHFFFAOYSA-N 1 2 408.549 1.805 40 0 HDABLO Cc1cc2nc(CCC(=O)N3CC[C@H](O)[C@@H]([NH+]4CCOCC4)CC3)[nH]c2c(C)c1 ZINC000257285167 568799944 /nfs/dbraw/zinc/79/99/44/568799944.db2.gz PFXUUBBEKZFASN-OALUTQOASA-N 1 2 400.523 1.796 40 0 HDABLO NC(=O)[C@]1(c2ccccn2)CCCN1C(=O)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000257295857 568803189 /nfs/dbraw/zinc/80/31/89/568803189.db2.gz RAECCGDFQQJOHU-HSZRJFAPSA-N 1 2 424.501 1.409 40 0 HDABLO CC(=O)N1CC[NH+]([C@@H]2[C@@H](O)[C@H](Oc3cccnc3)C[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000257330874 568813501 /nfs/dbraw/zinc/81/35/01/568813501.db2.gz XQJKPHICVVPUDJ-YRXWBPOGSA-N 1 2 420.510 1.020 40 0 HDABLO C[N@@H+]1CC[C@@H](COCc2ccccn2)CC12CN(S(=O)(=O)c1cccnc1)C2 ZINC000306131271 568893514 /nfs/dbraw/zinc/89/35/14/568893514.db2.gz JZSHUJZKILGCCY-QGZVFWFLSA-N 1 2 402.520 1.778 40 0 HDABLO C[N@H+]1CC[C@@H](COCc2ccccn2)CC12CN(S(=O)(=O)c1cccnc1)C2 ZINC000306131271 568893516 /nfs/dbraw/zinc/89/35/16/568893516.db2.gz JZSHUJZKILGCCY-QGZVFWFLSA-N 1 2 402.520 1.778 40 0 HDABLO CC(=O)N1C[C@]2(CCN(S(C)(=O)=O)C2)[C@@H]2[C@H]1CCC[N@@H+]2Cc1csc(C)n1 ZINC000306132561 568894891 /nfs/dbraw/zinc/89/48/91/568894891.db2.gz LMLOEFQUNVLSNJ-FGTMMUONSA-N 1 2 412.581 1.298 40 0 HDABLO CC(=O)N1C[C@]2(CCN(S(C)(=O)=O)C2)[C@@H]2[C@H]1CCC[N@H+]2Cc1csc(C)n1 ZINC000306132561 568894892 /nfs/dbraw/zinc/89/48/92/568894892.db2.gz LMLOEFQUNVLSNJ-FGTMMUONSA-N 1 2 412.581 1.298 40 0 HDABLO Cc1nc(C[N@@H+]2C[C@@H]3ON=C(N4CCC(C(=O)NC5CCC5)CC4)[C@H]3C2)cs1 ZINC000306133560 568895637 /nfs/dbraw/zinc/89/56/37/568895637.db2.gz MPLYCEKUXJSVMT-ROUUACIJSA-N 1 2 403.552 1.976 40 0 HDABLO Cc1nc(C[N@H+]2C[C@@H]3ON=C(N4CCC(C(=O)NC5CCC5)CC4)[C@H]3C2)cs1 ZINC000306133560 568895639 /nfs/dbraw/zinc/89/56/39/568895639.db2.gz MPLYCEKUXJSVMT-ROUUACIJSA-N 1 2 403.552 1.976 40 0 HDABLO COCCN1CC[C@@]2(CN(C(=O)c3ccn(C)n3)C[C@H]2c2cn(C(C)C)c[nH+]2)C1=O ZINC000306143872 568905174 /nfs/dbraw/zinc/90/51/74/568905174.db2.gz YOVQVINSDROZBO-KKSFZXQISA-N 1 2 414.510 1.302 40 0 HDABLO NC(=O)Cn1c(CCSc2nc3ccccc3n2CC(N)=O)[nH+]c2ccccc21 ZINC000017086976 569273266 /nfs/dbraw/zinc/27/32/66/569273266.db2.gz QOJXDSPXIRWIML-UHFFFAOYSA-N 1 2 408.487 1.691 40 0 HDABLO CCc1nnc(Nc2cnc([C@@H]3CCCN(C(=O)/C=C/C[NH+](C)C)C3)cn2)s1 ZINC000585292579 571310040 /nfs/dbraw/zinc/31/00/40/571310040.db2.gz OZIDVIRDBQWIBV-IZPAUZPXSA-N 1 2 401.540 2.458 40 0 HDABLO COc1cccc(C[NH+]2CC3(C2)C(=O)N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H](O)CN23)c1 ZINC000225386340 291197151 /nfs/dbraw/zinc/19/71/51/291197151.db2.gz LDOJUNXCTNYEJP-CTNGQTDRSA-N 1 2 421.497 1.254 40 0 biogenic,in-vitro HDABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3)C2)C(=O)N1Cc1ccccc1F ZINC000225389886 291201831 /nfs/dbraw/zinc/20/18/31/291201831.db2.gz YIGBZEREZSTVNU-QUCCMNQESA-N 1 2 409.461 1.384 40 0 biogenic,in-vitro HDABLO Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000072339747 526498706 /nfs/dbraw/zinc/49/87/06/526498706.db2.gz LYSYMZKIILNWSS-UHFFFAOYSA-N 1 2 411.462 1.891 40 0 HDABLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCn2cc[nH+]c2)cc1Cl ZINC000408587867 557491308 /nfs/dbraw/zinc/49/13/08/557491308.db2.gz CMFUMLYBRPVYJT-LBPRGKRZSA-N 1 2 400.888 1.418 40 0 HDABLO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCn3cc[nH+]c3)C2)cc1 ZINC000408590480 557500084 /nfs/dbraw/zinc/50/00/84/557500084.db2.gz HJFRNDVGHGGQQO-MRXNPFEDSA-N 1 2 406.508 1.499 40 0 HDABLO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCC[NH+]1CCOCC1 ZINC000408596316 557514238 /nfs/dbraw/zinc/51/42/38/557514238.db2.gz UFNRTUZRGIUBRE-LLVKDONJSA-N 1 2 410.323 1.109 40 0 HDABLO O=C(NCCCn1cc[nH+]c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408607039 557519073 /nfs/dbraw/zinc/51/90/73/557519073.db2.gz PUENCOCXAJXTDO-HXUWFJFHSA-N 1 2 412.515 1.979 40 0 HDABLO O=C(NCC[NH+]1CCOCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408601087 557521731 /nfs/dbraw/zinc/52/17/31/557521731.db2.gz FDSNDAMTLMXXBE-FQEVSTJZSA-N 1 2 417.531 1.025 40 0 HDABLO CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCn2cc[nH+]c2)cc1Cl ZINC000408612112 557530109 /nfs/dbraw/zinc/53/01/09/557530109.db2.gz YLVDFWCJDHVVLW-CYBMUJFWSA-N 1 2 414.915 1.809 40 0 HDABLO O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCC[NH+]1CCOCC1 ZINC000408702565 557726889 /nfs/dbraw/zinc/72/68/89/557726889.db2.gz BUSMSDPFHRQKRP-UHFFFAOYSA-N 1 2 403.504 1.577 40 0 HDABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccn(CC(=O)NC2CCCCC2)c1=O)C1CC1 ZINC000019750039 558270137 /nfs/dbraw/zinc/27/01/37/558270137.db2.gz NYILLYFXUUZNNR-IBGZPJMESA-N 1 2 411.506 1.912 40 0 HDABLO C[C@H](CN1CCOCC1)OC(=O)CCCCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000019798118 558284798 /nfs/dbraw/zinc/28/47/98/558284798.db2.gz RQMDUBJYRUZZRE-QZTJIDSGSA-N 1 2 400.516 1.075 40 0 HDABLO Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)c(Cl)c1 ZINC000019974086 558317088 /nfs/dbraw/zinc/31/70/88/558317088.db2.gz RIPGHZZGFJIIBA-NSHDSACASA-N 1 2 416.869 1.922 40 0 HDABLO CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCC4)nc(N)c32)cc1 ZINC000019974094 558317152 /nfs/dbraw/zinc/31/71/52/558317152.db2.gz DCQUXDVJYXQROH-AWEZNQCLSA-N 1 2 424.461 1.900 40 0 HDABLO O=C(C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1ccc2c(c1)OCCO2 ZINC000012113742 558327140 /nfs/dbraw/zinc/32/71/40/558327140.db2.gz WBEFBZUZTIJMIS-UHFFFAOYSA-N 1 2 411.462 1.138 40 0 HDABLO O=C(C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1ccc2c(c1)OCCO2 ZINC000012113742 558327143 /nfs/dbraw/zinc/32/71/43/558327143.db2.gz WBEFBZUZTIJMIS-UHFFFAOYSA-N 1 2 411.462 1.138 40 0 HDABLO O=[S@]1c2ccccc2C(N2CC[NH+](CCOCCO)CC2)=Nc2ccc(O)cc21 ZINC000022061165 558460841 /nfs/dbraw/zinc/46/08/41/558460841.db2.gz PUDUSSVBGMRCCM-GDLZYMKVSA-N 1 2 415.515 1.577 40 0 in-vitro HDABLO CCOc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000053163326 558862837 /nfs/dbraw/zinc/86/28/37/558862837.db2.gz HNPVTHGXEAKJHY-UHFFFAOYSA-N 1 2 417.531 1.951 40 0 HDABLO O=C(CCC[NH+]1CCOCC1)N1CCC[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000019375632 558881746 /nfs/dbraw/zinc/88/17/46/558881746.db2.gz FMTKXELQHCEPGY-INIZCTEOSA-N 1 2 420.535 1.360 40 0 HDABLO O=S(=O)(N1CCCC1)N1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000019716355 558978089 /nfs/dbraw/zinc/97/80/89/558978089.db2.gz USDRVOJUPJOAQM-UHFFFAOYSA-N 1 2 409.943 1.984 40 0 HDABLO COCc1c(C)onc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000019718606 558981938 /nfs/dbraw/zinc/98/19/38/558981938.db2.gz DBNXUMUMZILCQQ-UHFFFAOYSA-N 1 2 422.507 1.626 40 0 HDABLO Cc1nc(C)c(C[N@@H+]2CCO[C@@]3(CO[C@H](C(=O)NCc4ncc(C)cn4)C3)C2)s1 ZINC000585102155 559025354 /nfs/dbraw/zinc/02/53/54/559025354.db2.gz DDCUHJFJYJUYQV-OXJNMPFZSA-N 1 2 417.535 1.535 40 0 HDABLO Cc1nc(C)c(C[N@H+]2CCO[C@@]3(CO[C@H](C(=O)NCc4ncc(C)cn4)C3)C2)s1 ZINC000585102155 559025356 /nfs/dbraw/zinc/02/53/56/559025356.db2.gz DDCUHJFJYJUYQV-OXJNMPFZSA-N 1 2 417.535 1.535 40 0 HDABLO Cc1nc(C)c(C[N@@H+]2CCO[C@]3(CO[C@H](C(=O)NCc4ncc(C)cn4)C3)C2)s1 ZINC000585102154 559025404 /nfs/dbraw/zinc/02/54/04/559025404.db2.gz DDCUHJFJYJUYQV-JXFKEZNVSA-N 1 2 417.535 1.535 40 0 HDABLO Cc1nc(C)c(C[N@H+]2CCO[C@]3(CO[C@H](C(=O)NCc4ncc(C)cn4)C3)C2)s1 ZINC000585102154 559025405 /nfs/dbraw/zinc/02/54/05/559025405.db2.gz DDCUHJFJYJUYQV-JXFKEZNVSA-N 1 2 417.535 1.535 40 0 HDABLO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[N@H+]3CCN(C)C(=O)C3)C2)CC1 ZINC000585103174 559026499 /nfs/dbraw/zinc/02/64/99/559026499.db2.gz FGEUEKSZJCJIGF-SFHVURJKSA-N 1 2 421.563 1.329 40 0 HDABLO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[N@@H+]3CCN(C)C(=O)C3)C2)CC1 ZINC000585103174 559026500 /nfs/dbraw/zinc/02/65/00/559026500.db2.gz FGEUEKSZJCJIGF-SFHVURJKSA-N 1 2 421.563 1.329 40 0 HDABLO C[N@@H+]1CCO[C@@H](CNC(=O)c2nc3c(o2)CCN(C(=O)c2ccccc2F)C3)C1 ZINC000585112331 559030824 /nfs/dbraw/zinc/03/08/24/559030824.db2.gz ORVCRUVBCLEXAQ-ZDUSSCGKSA-N 1 2 402.426 1.073 40 0 HDABLO C[N@H+]1CCO[C@@H](CNC(=O)c2nc3c(o2)CCN(C(=O)c2ccccc2F)C3)C1 ZINC000585112331 559030825 /nfs/dbraw/zinc/03/08/25/559030825.db2.gz ORVCRUVBCLEXAQ-ZDUSSCGKSA-N 1 2 402.426 1.073 40 0 HDABLO C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000012773474 560786503 /nfs/dbraw/zinc/78/65/03/560786503.db2.gz IWEVHGNUDGUHBI-PBHICJAKSA-N 1 2 400.504 1.533 40 0 HDABLO C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000012773463 560786520 /nfs/dbraw/zinc/78/65/20/560786520.db2.gz IWEVHGNUDGUHBI-RHSMWYFYSA-N 1 2 400.504 1.533 40 0 HDABLO Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCC[NH+]1CCOCC1 ZINC000219159921 568487468 /nfs/dbraw/zinc/48/74/68/568487468.db2.gz NXCAIARAYDRQKJ-UHFFFAOYSA-N 1 2 415.515 1.619 40 0 HDABLO CC[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220737943 568508934 /nfs/dbraw/zinc/50/89/34/568508934.db2.gz SLIMJUUMJYURQR-QGZVFWFLSA-N 1 2 417.959 1.641 40 0 HDABLO O=C(NCC[NH+]1CCOCC1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000223067814 568536428 /nfs/dbraw/zinc/53/64/28/568536428.db2.gz OBUNVGOXYSJGAD-UHFFFAOYSA-N 1 2 415.515 1.500 40 0 HDABLO O=C(NCCC[NH+]1CCOCC1)c1cn2c3c(cc(Br)cc3c1=O)CC2 ZINC000223102469 568537616 /nfs/dbraw/zinc/53/76/16/568537616.db2.gz ZZMRZQNXBYAQQR-UHFFFAOYSA-N 1 2 420.307 1.772 40 0 HDABLO COC(=O)c1ccc(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000225218459 568624150 /nfs/dbraw/zinc/62/41/50/568624150.db2.gz QIVTWPPRAUAUGF-UHFFFAOYSA-N 1 2 400.508 1.372 40 0 HDABLO CC1(C)C(=O)NCCN1C(=O)CCC(=O)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000257216864 568781007 /nfs/dbraw/zinc/78/10/07/568781007.db2.gz CWKDJWDNIDRUBK-QGZVFWFLSA-N 1 2 424.505 1.448 40 0 HDABLO CN(C(=O)CCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257216854 568781083 /nfs/dbraw/zinc/78/10/83/568781083.db2.gz CWJDTVYFAORUSZ-BFYDXBDKSA-N 1 2 403.483 1.051 40 0 HDABLO O=C(CCCc1nc2ccc(F)cc2[nH]1)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257248696 568789850 /nfs/dbraw/zinc/78/98/50/568789850.db2.gz JEUUULKZPWGJCO-HGHGUNKESA-N 1 2 404.486 1.755 40 0 HDABLO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@H](c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 ZINC000257273613 568796722 /nfs/dbraw/zinc/79/67/22/568796722.db2.gz NHKZNNUVMWTZIK-IBGZPJMESA-N 1 2 423.473 1.164 40 0 HDABLO CC(=O)Nc1ccc(C[N@H+]2CCO[C@H](c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 ZINC000257273613 568796725 /nfs/dbraw/zinc/79/67/25/568796725.db2.gz NHKZNNUVMWTZIK-IBGZPJMESA-N 1 2 423.473 1.164 40 0 HDABLO Cn1c(=O)c2ccc([C@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)nc2n(C)c1=O ZINC000257320500 568810422 /nfs/dbraw/zinc/81/04/22/568810422.db2.gz VXCHXUSWESSFFJ-HXUWFJFHSA-N 1 2 417.469 1.754 40 0 HDABLO Cn1c(=O)c2ccc([C@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)nc2n(C)c1=O ZINC000257320500 568810423 /nfs/dbraw/zinc/81/04/23/568810423.db2.gz VXCHXUSWESSFFJ-HXUWFJFHSA-N 1 2 417.469 1.754 40 0 HDABLO Cn1c[nH+]c([C@H]2CN(C(=O)Cc3ccco3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306127069 568889908 /nfs/dbraw/zinc/88/99/08/568889908.db2.gz FNYORWHKVPNNKW-AUSIDOKSSA-N 1 2 419.485 1.996 40 0 HDABLO Cc1nc(C[N@@H+]2C[C@@H]3ON=C(N4CCC(C(=O)NC5CCC5)CC4)[C@@H]3C2)cs1 ZINC000306133558 568895554 /nfs/dbraw/zinc/89/55/54/568895554.db2.gz MPLYCEKUXJSVMT-MSOLQXFVSA-N 1 2 403.552 1.976 40 0 HDABLO Cc1nc(C[N@H+]2C[C@@H]3ON=C(N4CCC(C(=O)NC5CCC5)CC4)[C@@H]3C2)cs1 ZINC000306133558 568895555 /nfs/dbraw/zinc/89/55/55/568895555.db2.gz MPLYCEKUXJSVMT-MSOLQXFVSA-N 1 2 403.552 1.976 40 0 HDABLO COCCN1CC[C@]2(CN(C(=O)c3cnccn3)C[C@@H]2c2cn(C(C)C)c[nH+]2)C1=O ZINC000306135426 568897228 /nfs/dbraw/zinc/89/72/28/568897228.db2.gz OQHWIGIXEKKVFT-IIBYNOLFSA-N 1 2 412.494 1.359 40 0 HDABLO Nc1ncc(C[N@@H+]2CCO[C@]3(CCCC[C@@H]3NC(=O)Cc3cccs3)C2)cn1 ZINC000306138973 568900808 /nfs/dbraw/zinc/90/08/08/568900808.db2.gz SMCSSZOKYQWBHI-FXAWDEMLSA-N 1 2 401.536 1.993 40 0 HDABLO Nc1ncc(C[N@H+]2CCO[C@]3(CCCC[C@@H]3NC(=O)Cc3cccs3)C2)cn1 ZINC000306138973 568900809 /nfs/dbraw/zinc/90/08/09/568900809.db2.gz SMCSSZOKYQWBHI-FXAWDEMLSA-N 1 2 401.536 1.993 40 0 HDABLO COc1ccc([C@H](CNC(=S)N[C@@]2(C)CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575420481 569025953 /nfs/dbraw/zinc/02/59/53/569025953.db2.gz CCQMUMNXXNIPPC-HKUYNNGSSA-N 1 2 411.593 1.873 40 0 HDABLO COc1cc(C[N@@H+]2CCO[C@H](c3ccc(-c4cc[nH]n4)cn3)C2)ccc1OCC(N)=O ZINC000019693645 569346500 /nfs/dbraw/zinc/34/65/00/569346500.db2.gz DZPBECLCGXNWFU-NRFANRHFSA-N 1 2 423.473 1.918 40 0 HDABLO COc1cc(C[N@H+]2CCO[C@H](c3ccc(-c4cc[nH]n4)cn3)C2)ccc1OCC(N)=O ZINC000019693645 569346501 /nfs/dbraw/zinc/34/65/01/569346501.db2.gz DZPBECLCGXNWFU-NRFANRHFSA-N 1 2 423.473 1.918 40 0 HDABLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccc(-c4cc[nH]n4)cn3)C2)ccc1OCC(N)=O ZINC000019693644 569346535 /nfs/dbraw/zinc/34/65/35/569346535.db2.gz DZPBECLCGXNWFU-OAQYLSRUSA-N 1 2 423.473 1.918 40 0 HDABLO COc1cc(C[N@H+]2CCO[C@@H](c3ccc(-c4cc[nH]n4)cn3)C2)ccc1OCC(N)=O ZINC000019693644 569346536 /nfs/dbraw/zinc/34/65/36/569346536.db2.gz DZPBECLCGXNWFU-OAQYLSRUSA-N 1 2 423.473 1.918 40 0 HDABLO C[N@@H+]1C[C@@H](NS(C)(=O)=O)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464141 575366618 /nfs/dbraw/zinc/36/66/18/575366618.db2.gz BBYNWJYYDTWXGI-JQWIXIFHSA-N 1 2 406.386 1.930 40 0 biogenic,in-vitro HDABLO C[N@H+]1C[C@@H](NS(C)(=O)=O)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464141 575366622 /nfs/dbraw/zinc/36/66/22/575366622.db2.gz BBYNWJYYDTWXGI-JQWIXIFHSA-N 1 2 406.386 1.930 40 0 biogenic,in-vitro HDABLO C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000408587657 557491098 /nfs/dbraw/zinc/49/10/98/557491098.db2.gz BTVMUEQIRJVHEK-LBPRGKRZSA-N 1 2 415.313 1.519 40 0 HDABLO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCn3cc[nH+]c3)C2)cc1 ZINC000408590478 557500104 /nfs/dbraw/zinc/50/01/04/557500104.db2.gz HJFRNDVGHGGQQO-INIZCTEOSA-N 1 2 406.508 1.499 40 0 HDABLO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCn3cc[nH+]c3)CC2)cc1 ZINC000408591644 557504341 /nfs/dbraw/zinc/50/43/41/557504341.db2.gz JULSMRZUDDCYIB-UHFFFAOYSA-N 1 2 406.508 1.499 40 0 HDABLO O=C(NCC[NH+]1CCOCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408601088 557521684 /nfs/dbraw/zinc/52/16/84/557521684.db2.gz FDSNDAMTLMXXBE-HXUWFJFHSA-N 1 2 417.531 1.025 40 0 HDABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1)C1CC1 ZINC000019749264 558268381 /nfs/dbraw/zinc/26/83/81/558268381.db2.gz DFIDOFPSULAXKK-FQEVSTJZSA-N 1 2 411.506 1.912 40 0 HDABLO O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]cn3CCO)cc1 ZINC000012147676 558338321 /nfs/dbraw/zinc/33/83/21/558338321.db2.gz DUGKPILBGOUWIP-UHFFFAOYSA-N 1 2 400.460 1.956 40 0 HDABLO Nc1nnc(SCCN2CC[NH+](CCSc3nnc(N)s3)CC2)s1 ZINC000020506750 558381600 /nfs/dbraw/zinc/38/16/00/558381600.db2.gz DOKACOZICUZFCL-UHFFFAOYSA-N 1 2 404.616 1.056 40 0 HDABLO O[C@H]1c2cc(Br)ccc2OC[C@@]1(C[NH+]1CCOCC1)N1CCOCC1 ZINC000022859991 558517440 /nfs/dbraw/zinc/51/74/40/558517440.db2.gz JLFKVUBNGKUVHH-ZWKOTPCHSA-N 1 2 413.312 1.278 40 0 HDABLO COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000015083351 558719751 /nfs/dbraw/zinc/71/97/51/558719751.db2.gz GGNGMKMCIVYYSU-UHFFFAOYSA-N 1 2 419.503 1.892 40 0 HDABLO O=C1C[C@@H](c2ccco2)Cc2c1cnc1nc(NCC[NH+]3CCOCC3)[nH]c(=O)c12 ZINC000038829495 558816245 /nfs/dbraw/zinc/81/62/45/558816245.db2.gz GWIZYTWTHXGKIF-ZDUSSCGKSA-N 1 2 409.446 1.568 40 0 HDABLO CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000017302411 558826744 /nfs/dbraw/zinc/82/67/44/558826744.db2.gz UFJTVUOASLRCKT-UHFFFAOYSA-N 1 2 416.503 1.833 40 0 HDABLO Cc1csc2c([C@@H]3CCCN(C(=O)CN(C)[C@@H]4CCS(=O)(=O)C4)C3)[nH+]c(C)n12 ZINC000019240420 558858978 /nfs/dbraw/zinc/85/89/78/558858978.db2.gz RGJZCXUBKOPPDW-HZPDHXFCSA-N 1 2 424.592 1.838 40 0 HDABLO c1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)nc(N2CCCC2)n1 ZINC000019404018 558884350 /nfs/dbraw/zinc/88/43/50/558884350.db2.gz DNIVIKLHBKRZCR-FXAWDEMLSA-N 1 2 407.522 1.965 40 0 HDABLO c1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)nc(N2CCCC2)n1 ZINC000019404018 558884353 /nfs/dbraw/zinc/88/43/53/558884353.db2.gz DNIVIKLHBKRZCR-FXAWDEMLSA-N 1 2 407.522 1.965 40 0 HDABLO CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)C[N@H+]3CC=CCC3)[C@]12C ZINC000019450040 558888456 /nfs/dbraw/zinc/88/84/56/558888456.db2.gz RRPUKTFKOMUXFQ-YCRNBWNJSA-N 1 2 423.517 1.498 40 0 HDABLO CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)C[N@@H+]3CC=CCC3)[C@]12C ZINC000019450040 558888457 /nfs/dbraw/zinc/88/84/57/558888457.db2.gz RRPUKTFKOMUXFQ-YCRNBWNJSA-N 1 2 423.517 1.498 40 0 HDABLO CC(C)n1c2ccc(S(=O)(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)cc2oc1=O ZINC000019454714 558891512 /nfs/dbraw/zinc/89/15/12/558891512.db2.gz LFDLHLSZPUCWEN-MRXNPFEDSA-N 1 2 423.535 1.908 40 0 HDABLO CCCc1ncc(C[N@@H+]2C[C@@H](C(=O)OCC)[C@]3(C2)COc2ccccc2C(=O)N3)cn1 ZINC000072334293 558935393 /nfs/dbraw/zinc/93/53/93/558935393.db2.gz GAYMUQWGCSQCEV-MBSDFSHPSA-N 1 2 424.501 1.985 40 0 HDABLO CCCc1ncc(C[N@H+]2C[C@@H](C(=O)OCC)[C@]3(C2)COc2ccccc2C(=O)N3)cn1 ZINC000072334293 558935395 /nfs/dbraw/zinc/93/53/95/558935395.db2.gz GAYMUQWGCSQCEV-MBSDFSHPSA-N 1 2 424.501 1.985 40 0 HDABLO CN(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000019658033 558949965 /nfs/dbraw/zinc/94/99/65/558949965.db2.gz JGHIJUZEERRAQC-UHFFFAOYSA-N 1 2 402.520 1.613 40 0 HDABLO C[N@@H+]1CCO[C@@H](CNC(=O)c2nc3c(o2)CCN(Cc2cc(F)ccc2F)C3)C1 ZINC000585111730 559030715 /nfs/dbraw/zinc/03/07/15/559030715.db2.gz GYUYGXMEYVCBOZ-HNNXBMFYSA-N 1 2 406.433 1.572 40 0 HDABLO C[N@H+]1CCO[C@@H](CNC(=O)c2nc3c(o2)CCN(Cc2cc(F)ccc2F)C3)C1 ZINC000585111730 559030718 /nfs/dbraw/zinc/03/07/18/559030718.db2.gz GYUYGXMEYVCBOZ-HNNXBMFYSA-N 1 2 406.433 1.572 40 0 HDABLO COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[NH+]2CCOCC2)c1 ZINC000585262385 559110844 /nfs/dbraw/zinc/11/08/44/559110844.db2.gz ITXGHEHSMRGGBR-CZYKHXBRSA-N 1 2 412.486 1.707 40 0 HDABLO COc1cc(OC)c([C@@H]2[NH+]=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)cc1OC ZINC000104279823 559159870 /nfs/dbraw/zinc/15/98/70/559159870.db2.gz SWIZMEQCEIPWTC-GOSISDBHSA-N 1 2 415.450 1.238 40 0 HDABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCCC1)OCO3 ZINC000008582665 560637570 /nfs/dbraw/zinc/63/75/70/560637570.db2.gz FZMLUBURPQWWJO-AUUYWEPGSA-N 1 2 424.461 1.608 40 0 HDABLO CCC[C@H](c1nnnn1CCOC)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020140171 560881330 /nfs/dbraw/zinc/88/13/30/560881330.db2.gz OGHGDKLWEHTQIC-QGZVFWFLSA-N 1 2 402.499 1.707 40 0 HDABLO COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223134353 568538951 /nfs/dbraw/zinc/53/89/51/568538951.db2.gz QZHRILMNJJSWAE-VQTJNVASSA-N 1 2 415.563 1.834 40 0 HDABLO COC(=O)Cc1ccc(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000225218519 568624161 /nfs/dbraw/zinc/62/41/61/568624161.db2.gz LQLPLFHRNJFPIH-UHFFFAOYSA-N 1 2 414.535 1.301 40 0 HDABLO COCCn1c(C)cc(O)c([C@@H](c2ccccc2)[NH+]2CCN(CCO)CC2)c1=O ZINC000021097659 568665351 /nfs/dbraw/zinc/66/53/51/568665351.db2.gz LRCCPTKNXCKSLU-OAQYLSRUSA-N 1 2 401.507 1.208 40 0 HDABLO CC[N@H+](CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C)cc1 ZINC000096256733 568721698 /nfs/dbraw/zinc/72/16/98/568721698.db2.gz ROMWZBLKBJMART-SFHVURJKSA-N 1 2 410.584 1.846 40 0 HDABLO CC[N@@H+](CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C)cc1 ZINC000096256733 568721701 /nfs/dbraw/zinc/72/17/01/568721701.db2.gz ROMWZBLKBJMART-SFHVURJKSA-N 1 2 410.584 1.846 40 0 HDABLO CN(C)c1ncc2c(n1)[C@]1(CC[N@H+](Cc3ccccc3S(C)(=O)=O)C1)COC2 ZINC000248114858 568747482 /nfs/dbraw/zinc/74/74/82/568747482.db2.gz LEAQMWXVHGUJKS-FQEVSTJZSA-N 1 2 402.520 1.620 40 0 HDABLO CN(C)c1ncc2c(n1)[C@]1(CC[N@@H+](Cc3ccccc3S(C)(=O)=O)C1)COC2 ZINC000248114858 568747483 /nfs/dbraw/zinc/74/74/83/568747483.db2.gz LEAQMWXVHGUJKS-FQEVSTJZSA-N 1 2 402.520 1.620 40 0 HDABLO CNc1nc([C@H]2CCN(S(=O)(=O)CCc3ccccc3)C2)nc2c1C[N@H+](C)CC2 ZINC000257218905 568781601 /nfs/dbraw/zinc/78/16/01/568781601.db2.gz DEUXWIUJJMSZPF-KRWDZBQOSA-N 1 2 415.563 1.868 40 0 HDABLO CNc1nc([C@H]2CCN(S(=O)(=O)CCc3ccccc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257218905 568781603 /nfs/dbraw/zinc/78/16/03/568781603.db2.gz DEUXWIUJJMSZPF-KRWDZBQOSA-N 1 2 415.563 1.868 40 0 HDABLO Cc1[nH]c2ccc(CCC(=O)N3CC[C@@](C)(O)[C@H](n4ccc(=O)[nH]c4=O)C3)cc2[nH+]1 ZINC000257239068 568787312 /nfs/dbraw/zinc/78/73/12/568787312.db2.gz HNUWYKXOTISOAD-DYESRHJHSA-N 1 2 411.462 1.291 40 0 HDABLO Cc1[nH]c2cc(CCC(=O)N3CC[C@@](C)(O)[C@H](n4ccc(=O)[nH]c4=O)C3)ccc2[nH+]1 ZINC000257239068 568787313 /nfs/dbraw/zinc/78/73/13/568787313.db2.gz HNUWYKXOTISOAD-DYESRHJHSA-N 1 2 411.462 1.291 40 0 HDABLO Cc1[nH+]c2ccccc2n1CCC(=O)N1C[C@@H](O)[C@@H](Cc2cn3ccnc3cn2)C1 ZINC000257258033 568792309 /nfs/dbraw/zinc/79/23/09/568792309.db2.gz KSDBFRZMTHACGW-OXJNMPFZSA-N 1 2 404.474 1.840 40 0 HDABLO O=S1(=O)c2cccnc2O[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]2N1Cc1ccccn1 ZINC000306134485 568896513 /nfs/dbraw/zinc/89/65/13/568896513.db2.gz NPDFRZXFQITTDF-ROUUACIJSA-N 1 2 412.471 1.906 40 0 HDABLO O=S1(=O)c2cccnc2O[C@H]2C[N@H+](Cc3ccco3)C[C@@H]2N1Cc1ccccn1 ZINC000306134485 568896514 /nfs/dbraw/zinc/89/65/14/568896514.db2.gz NPDFRZXFQITTDF-ROUUACIJSA-N 1 2 412.471 1.906 40 0 HDABLO COCCN1CC[C@@]2(CN(C(=O)c3cnccn3)C[C@@H]2c2cn(C(C)C)c[nH+]2)C1=O ZINC000306135425 568897251 /nfs/dbraw/zinc/89/72/51/568897251.db2.gz OQHWIGIXEKKVFT-IERDGZPVSA-N 1 2 412.494 1.359 40 0 HDABLO COCCN1CC[C@]2(CN(C(=O)c3ccn(C)n3)C[C@@H]2c2cn(C(C)C)c[nH+]2)C1=O ZINC000306143871 568905148 /nfs/dbraw/zinc/90/51/48/568905148.db2.gz YOVQVINSDROZBO-IIBYNOLFSA-N 1 2 414.510 1.302 40 0 HDABLO CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)[C@@H]3C1=O ZINC000248156418 569316553 /nfs/dbraw/zinc/31/65/53/569316553.db2.gz VVUJSWBUJRRBQJ-MOIWOSJKSA-N 1 2 410.449 1.567 40 0 HDABLO Cc1nn2c(nccc2[C@H]2CN(C(=O)c3ccccn3)CCO2)c1C[NH+]1CCOCC1 ZINC000019707745 569347991 /nfs/dbraw/zinc/34/79/91/569347991.db2.gz RWETXSAMNCFSCA-HXUWFJFHSA-N 1 2 422.489 1.479 40 0 HDABLO CNc1nc(C2CCN(C(=O)COC[C@H]3CCCO3)CC2)nc2c1C[N@H+](C)CC2 ZINC000019752422 558272039 /nfs/dbraw/zinc/27/20/39/558272039.db2.gz MHLNSORBXSBLKE-MRXNPFEDSA-N 1 2 403.527 1.408 40 0 HDABLO CNc1nc(C2CCN(C(=O)COC[C@H]3CCCO3)CC2)nc2c1C[N@@H+](C)CC2 ZINC000019752422 558272042 /nfs/dbraw/zinc/27/20/42/558272042.db2.gz MHLNSORBXSBLKE-MRXNPFEDSA-N 1 2 403.527 1.408 40 0 HDABLO CNC(=O)c1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1OC ZINC000020110670 558335726 /nfs/dbraw/zinc/33/57/26/558335726.db2.gz GIUUTHLCQMRESK-UHFFFAOYSA-N 1 2 400.460 1.719 40 0 HDABLO COc1ccc2cnc(C3CC[NH+](CC(=O)CN4C(=O)CNC4=O)CC3)cc2c1C ZINC000012188157 558347048 /nfs/dbraw/zinc/34/70/48/558347048.db2.gz XDXWPRLRUJWFKL-UHFFFAOYSA-N 1 2 410.474 1.852 40 0 HDABLO COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCCn2cc[nH+]c2)c1 ZINC000022230266 558469026 /nfs/dbraw/zinc/46/90/26/558469026.db2.gz LIZSJRDYBNSNEO-QGZVFWFLSA-N 1 2 406.508 1.560 40 0 HDABLO COc1ccc(N([C@@H](C)C(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)cc1Cl ZINC000013682004 558567048 /nfs/dbraw/zinc/56/70/48/558567048.db2.gz JGECHQGTWSIWBR-ZDUSSCGKSA-N 1 2 414.915 1.906 40 0 HDABLO CS(=O)(=O)N1C[C@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)Oc2ccccc21 ZINC000030871308 558743333 /nfs/dbraw/zinc/74/33/33/558743333.db2.gz KANMVDOBGRGVNQ-LJQANCHMSA-N 1 2 412.471 1.716 40 0 HDABLO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1 ZINC000036735020 558801426 /nfs/dbraw/zinc/80/14/26/558801426.db2.gz KCZLKKLILAPNRE-UHFFFAOYSA-N 1 2 420.517 1.779 40 0 HDABLO CN(C)c1nc2ccccc2cc1C[N@H+]1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1 ZINC000036735020 558801428 /nfs/dbraw/zinc/80/14/28/558801428.db2.gz KCZLKKLILAPNRE-UHFFFAOYSA-N 1 2 420.517 1.779 40 0 HDABLO Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CC[NH+]4CCOCC4)C3)c2N)cc1 ZINC000019213204 558849052 /nfs/dbraw/zinc/84/90/52/558849052.db2.gz VKGKHOYFTMUHTD-KRWDZBQOSA-N 1 2 411.506 1.516 40 0 HDABLO CC(C)[N@@H+]1CCc2nc3cc([C@@H]4CCCN(S(=O)(=O)N(C)C)C4)[nH]n3c(=O)c2C1 ZINC000019448101 558886692 /nfs/dbraw/zinc/88/66/92/558886692.db2.gz BWWPLPVZRPSPSU-CQSZACIVSA-N 1 2 422.555 1.187 40 0 HDABLO CC(C)[N@H+]1CCc2nc3cc([C@@H]4CCCN(S(=O)(=O)N(C)C)C4)[nH]n3c(=O)c2C1 ZINC000019448101 558886693 /nfs/dbraw/zinc/88/66/93/558886693.db2.gz BWWPLPVZRPSPSU-CQSZACIVSA-N 1 2 422.555 1.187 40 0 HDABLO COc1ccc([C@@H]2CN(S(C)(=O)=O)[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]23)cc1 ZINC000019557257 558919418 /nfs/dbraw/zinc/91/94/18/558919418.db2.gz RWEGVDASBWIEDY-FHWLQOOXSA-N 1 2 418.519 1.168 40 0 HDABLO COc1ccc(OC)c(C[N@@H+]2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C2)c1 ZINC000072347261 558944216 /nfs/dbraw/zinc/94/42/16/558944216.db2.gz SCOGHUZTZNZGLT-GJZGRUSLSA-N 1 2 414.506 1.959 40 0 HDABLO COc1ccc(OC)c(C[N@H+]2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C2)c1 ZINC000072347261 558944218 /nfs/dbraw/zinc/94/42/18/558944218.db2.gz SCOGHUZTZNZGLT-GJZGRUSLSA-N 1 2 414.506 1.959 40 0 HDABLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@]2(CO[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC000585102189 559024680 /nfs/dbraw/zinc/02/46/80/559024680.db2.gz KYJLASQYRGHULG-YJBOKZPZSA-N 1 2 412.412 1.681 40 0 HDABLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@]2(CO[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC000585102189 559024681 /nfs/dbraw/zinc/02/46/81/559024681.db2.gz KYJLASQYRGHULG-YJBOKZPZSA-N 1 2 412.412 1.681 40 0 HDABLO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1cccs1)[NH2+][C@@]2(Cc1ccc(O)cc1)C(=O)OC ZINC000100420816 559135059 /nfs/dbraw/zinc/13/50/59/559135059.db2.gz OVMFQWRYXSAZGP-ZGPJWRFFSA-N 1 2 414.483 1.874 40 0 HDABLO CS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000026456104 568549681 /nfs/dbraw/zinc/54/96/81/568549681.db2.gz BFFNMINXWYRZKC-UHFFFAOYSA-N 1 2 410.323 1.208 40 0 HDABLO Cc1cc2[nH]c(CCC(=O)N3C[C@@H](O)[C@H](n4cnc5c4ncnc5N)C3)[nH+]c2cc1C ZINC000257216672 568780857 /nfs/dbraw/zinc/78/08/57/568780857.db2.gz CVPUYNWHVWLMPT-HZPDHXFCSA-N 1 2 420.477 1.279 40 0 HDABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)n1 ZINC000257244354 568788595 /nfs/dbraw/zinc/78/85/95/568788595.db2.gz IKYGVVKEUAMXJW-SFHVURJKSA-N 1 2 406.446 1.342 40 0 HDABLO CC(=O)NCC(=O)N1CC[C@@H](c2n[nH]cc2-c2cc[nH+]c(NCC3=CCCOC3)c2)C1 ZINC000257301135 568804569 /nfs/dbraw/zinc/80/45/69/568804569.db2.gz RXDFHJPOHPDAER-GOSISDBHSA-N 1 2 424.505 1.682 40 0 HDABLO CN(C)C(=O)C1CCN(C(=O)[C@]2(C)CCCN(c3cc(N(C)C)[nH+]cn3)C2)CC1 ZINC000257323258 568811220 /nfs/dbraw/zinc/81/12/20/568811220.db2.gz WJJRYOFADMZYAR-OAQYLSRUSA-N 1 2 402.543 1.476 40 0 HDABLO CN(C)C(=O)C1CCN(C(=O)[C@]2(C)CCCN(c3cc(N(C)C)nc[nH+]3)C2)CC1 ZINC000257323258 568811223 /nfs/dbraw/zinc/81/12/23/568811223.db2.gz WJJRYOFADMZYAR-OAQYLSRUSA-N 1 2 402.543 1.476 40 0 HDABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)COc1ccc(-n2cccn2)nn1 ZINC000224354045 569059772 /nfs/dbraw/zinc/05/97/72/569059772.db2.gz VTEUTDMZFKXBLC-UHFFFAOYSA-N 1 2 409.454 1.136 40 0 HDABLO NC(=O)c1cccc(-c2ccc([C@H]3C[N@H+](CCC(=O)N4CCOCC4)CCO3)nc2)c1 ZINC000019692553 569346073 /nfs/dbraw/zinc/34/60/73/569346073.db2.gz RVWIJWOVUYNOPZ-OAQYLSRUSA-N 1 2 424.501 1.470 40 0 HDABLO NC(=O)c1cccc(-c2ccc([C@H]3C[N@@H+](CCC(=O)N4CCOCC4)CCO3)nc2)c1 ZINC000019692553 569346074 /nfs/dbraw/zinc/34/60/74/569346074.db2.gz RVWIJWOVUYNOPZ-OAQYLSRUSA-N 1 2 424.501 1.470 40 0 HDABLO CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000044847334 521958743 /nfs/dbraw/zinc/95/87/43/521958743.db2.gz IAEPCLOMLKJXTK-UHFFFAOYSA-N 1 2 413.503 1.802 40 0 HDABLO Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCCCn1cc[nH+]c1 ZINC000408587893 557491294 /nfs/dbraw/zinc/49/12/94/557491294.db2.gz CPALFZSUYNEDEZ-UHFFFAOYSA-N 1 2 408.524 1.711 40 0 HDABLO CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCCC4)nc(N)c32)cc1 ZINC000019974095 558317026 /nfs/dbraw/zinc/31/70/26/558317026.db2.gz MJMJMYUFKYNEIY-CQSZACIVSA-N 1 2 409.450 1.682 40 0 HDABLO Nc1nc(N2CCOCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 ZINC000019974080 558317117 /nfs/dbraw/zinc/31/71/17/558317117.db2.gz KHNPMHIHRAPOFL-JTQLQIEISA-N 1 2 420.832 1.752 40 0 HDABLO COc1ccc([C@H]2CC(=O)c3cnc(N4CC[NH+](CCO)CC4)nc3C2)c(OC)c1 ZINC000020478112 558374760 /nfs/dbraw/zinc/37/47/60/558374760.db2.gz WGGURWZIRXGDQB-OAHLLOKOSA-N 1 2 412.490 1.521 40 0 HDABLO Cc1ccc2c(c1)N(CC(=O)N(CC[NH+]1CCOCC1)Cc1ccncc1)C(=O)CO2 ZINC000026521310 558662165 /nfs/dbraw/zinc/66/21/65/558662165.db2.gz SEGHVIXVMXILGB-UHFFFAOYSA-N 1 2 424.501 1.476 40 0 HDABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1S(=O)(=O)N(C)C ZINC000016163201 558775177 /nfs/dbraw/zinc/77/51/77/558775177.db2.gz MTEJXFQTRGUNQE-UHFFFAOYSA-N 1 2 417.531 1.904 40 0 HDABLO Cc1csc2c([C@H]3CCCN(C(=O)CN(C)[C@@H]4CCS(=O)(=O)C4)C3)[nH+]c(C)n12 ZINC000019240421 558859046 /nfs/dbraw/zinc/85/90/46/558859046.db2.gz RGJZCXUBKOPPDW-JKSUJKDBSA-N 1 2 424.592 1.838 40 0 HDABLO CC1CCN(S(=O)(=O)N2CC[NH+](C[C@H](O)c3ccc4c(c3)CCO4)CC2)CC1 ZINC000019496937 558895640 /nfs/dbraw/zinc/89/56/40/558895640.db2.gz NKDIVDOQTNVMDK-IBGZPJMESA-N 1 2 409.552 1.249 40 0 HDABLO CCS(=O)(=O)N1CC[NH+](Cc2cn(CC(=O)NC3CC3)c3ccccc23)CC1 ZINC000019520376 558901253 /nfs/dbraw/zinc/90/12/53/558901253.db2.gz FBTRFPLUHZJTJX-UHFFFAOYSA-N 1 2 404.536 1.387 40 0 HDABLO Cc1cc(NC(=O)C[NH+]2CCC(c3ccc(C(=O)N4CCOCC4)cn3)CC2)no1 ZINC000019705798 558968347 /nfs/dbraw/zinc/96/83/47/558968347.db2.gz WNPIMCJRLPXHDN-UHFFFAOYSA-N 1 2 413.478 1.669 40 0 HDABLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@@]2(CO[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC000585102186 559025617 /nfs/dbraw/zinc/02/56/17/559025617.db2.gz KYJLASQYRGHULG-CRAIPNDOSA-N 1 2 412.412 1.681 40 0 HDABLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@@]2(CO[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC000585102186 559025618 /nfs/dbraw/zinc/02/56/18/559025618.db2.gz KYJLASQYRGHULG-CRAIPNDOSA-N 1 2 412.412 1.681 40 0 HDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)CCc1ccccc1)CC2 ZINC000096254902 559105849 /nfs/dbraw/zinc/10/58/49/559105849.db2.gz NNUCTQPBAUHLMH-UHFFFAOYSA-N 1 2 409.534 1.939 40 0 HDABLO CS(=O)(=O)Nc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)ccn1 ZINC000035425579 560080888 /nfs/dbraw/zinc/08/08/88/560080888.db2.gz CNARVDDCCYFWAS-HNNXBMFYSA-N 1 2 400.464 2.235 40 0 biogenic,in-vitro HDABLO CS(=O)(=O)Nc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)ccn1 ZINC000035425579 560080890 /nfs/dbraw/zinc/08/08/90/560080890.db2.gz CNARVDDCCYFWAS-HNNXBMFYSA-N 1 2 400.464 2.235 40 0 biogenic,in-vitro HDABLO CC[C@H]1CN(S(=O)(=O)c2ccccc2)CC[C@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000020503963 560093575 /nfs/dbraw/zinc/09/35/75/560093575.db2.gz DUZDIHCNCVSINI-OALUTQOASA-N 1 2 423.579 1.562 40 0 biogenic,in-vitro HDABLO COc1ccc(CC(=O)NC2CC[NH+](Cc3nnnn3C(C)(C)C)CC2)cc1OC ZINC000004388352 560605580 /nfs/dbraw/zinc/60/55/80/560605580.db2.gz CGJJZPKRBJGHMN-UHFFFAOYSA-N 1 2 416.526 1.769 40 0 HDABLO O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)NCC[NH+]1CCOCC1 ZINC000219152418 568487315 /nfs/dbraw/zinc/48/73/15/568487315.db2.gz CUZQMMWPCHRSAO-UHFFFAOYSA-N 1 2 401.488 1.311 40 0 HDABLO C[NH+]1CCN(CCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1 ZINC000022822193 568499814 /nfs/dbraw/zinc/49/98/14/568499814.db2.gz CAEZTCHVVMITEV-UHFFFAOYSA-N 1 2 416.547 1.855 40 0 HDABLO CN1CC[NH+](CCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1 ZINC000022822193 568499815 /nfs/dbraw/zinc/49/98/15/568499815.db2.gz CAEZTCHVVMITEV-UHFFFAOYSA-N 1 2 416.547 1.855 40 0 HDABLO COc1cc(C[NH+]2CCN(C(=S)NC[C@@H]3CCCO3)CC2)cc(OC)c1OC ZINC000225224978 568624583 /nfs/dbraw/zinc/62/45/83/568624583.db2.gz JZQCLTFKQYVSBQ-INIZCTEOSA-N 1 2 409.552 1.884 40 0 HDABLO COc1cc(N2Cc3ccccc3C2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225902950 568684759 /nfs/dbraw/zinc/68/47/59/568684759.db2.gz BFKQXSBRHVRJOV-UHFFFAOYSA-N 1 2 414.535 1.624 40 0 HDABLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CCC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257227132 568784165 /nfs/dbraw/zinc/78/41/65/568784165.db2.gz FNVMBFOGLYXYSU-QOKNQOGYSA-N 1 2 420.477 1.338 40 0 HDABLO CNc1nc([C@H]2CCN(S(=O)(=O)c3ccccc3OC)C2)nc2c1C[N@H+](C)CC2 ZINC000257267436 568794752 /nfs/dbraw/zinc/79/47/52/568794752.db2.gz MHHRDYJQJRCVRI-AWEZNQCLSA-N 1 2 417.535 1.693 40 0 HDABLO CNc1nc([C@H]2CCN(S(=O)(=O)c3ccccc3OC)C2)nc2c1C[N@@H+](C)CC2 ZINC000257267436 568794753 /nfs/dbraw/zinc/79/47/53/568794753.db2.gz MHHRDYJQJRCVRI-AWEZNQCLSA-N 1 2 417.535 1.693 40 0 HDABLO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4cn[nH]c4)n3)C2)ccc1OCC(N)=O ZINC000257268940 568795438 /nfs/dbraw/zinc/79/54/38/568795438.db2.gz MNWQUKDIBXFRLK-NRFANRHFSA-N 1 2 423.473 1.918 40 0 HDABLO COc1cc(C[N@H+]2CCO[C@H](c3cccc(-c4cn[nH]c4)n3)C2)ccc1OCC(N)=O ZINC000257268940 568795439 /nfs/dbraw/zinc/79/54/39/568795439.db2.gz MNWQUKDIBXFRLK-NRFANRHFSA-N 1 2 423.473 1.918 40 0 HDABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1C[C@@H](O)[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000257283224 568799369 /nfs/dbraw/zinc/79/93/69/568799369.db2.gz OXHKMLLSIDISMO-QZTJIDSGSA-N 1 2 411.462 1.140 40 0 HDABLO O=C(C[C@H]1CCCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1)NCCn1cc[nH+]c1 ZINC000257306228 568806266 /nfs/dbraw/zinc/80/62/66/568806266.db2.gz STJOOCNMWBLWNU-CQSZACIVSA-N 1 2 412.416 1.544 40 0 HDABLO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000257337372 568815228 /nfs/dbraw/zinc/81/52/28/568815228.db2.gz YSNILFWJGOLTBT-CGXNFDGLSA-N 1 2 400.450 1.837 40 0 HDABLO CNC(=O)c1cccc([C@H]2CN(CC(=O)Nc3ccc4c(c3)OCCO4)CC[N@@H+]2C)c1 ZINC000257339326 568815777 /nfs/dbraw/zinc/81/57/77/568815777.db2.gz ZBGHLBKLJMDVFF-LJQANCHMSA-N 1 2 424.501 1.745 40 0 HDABLO CNC(=O)c1cccc([C@H]2CN(CC(=O)Nc3ccc4c(c3)OCCO4)CC[N@H+]2C)c1 ZINC000257339326 568815778 /nfs/dbraw/zinc/81/57/78/568815778.db2.gz ZBGHLBKLJMDVFF-LJQANCHMSA-N 1 2 424.501 1.745 40 0 HDABLO COCCN1CC[C@@]2(CN(C(=O)c3csc(C)n3)C[C@H]2c2cn(C)c[nH+]2)C1=O ZINC000306136773 568898759 /nfs/dbraw/zinc/89/87/59/568898759.db2.gz QCWABCPADLHJAB-LIRRHRJNSA-N 1 2 403.508 1.290 40 0 HDABLO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[NH2+]CC2=O)N1CC[C@@H](O)C1 ZINC000253398845 569365578 /nfs/dbraw/zinc/36/55/78/569365578.db2.gz HQXZUQACAQTVRC-UJCVWLQSSA-N 1 2 413.518 1.173 40 0 HDABLO CC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCC[NH+]3CCOCC3)[C@H](O)[C@H]2[C@@H]1C ZINC000020466046 575368502 /nfs/dbraw/zinc/36/85/02/575368502.db2.gz FAQNFNKMYPMMIY-SDGSYIHLSA-N 1 2 423.598 1.399 40 0 biogenic,in-vitro HDABLO CCOC(=O)Nc1cc(S(=O)(=O)NCCC[NH+]2CCOCC2)ccc1OCC ZINC000408586544 557492551 /nfs/dbraw/zinc/49/25/51/557492551.db2.gz OYDWCQLAQGOESN-UHFFFAOYSA-N 1 2 415.512 1.654 40 0 HDABLO CCCNS(=O)(=O)c1ccc(OCC(=O)NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000408597511 557516965 /nfs/dbraw/zinc/51/69/65/557516965.db2.gz XDJGSEBAOTYREE-UHFFFAOYSA-N 1 2 414.915 1.810 40 0 HDABLO CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000008359538 557783369 /nfs/dbraw/zinc/78/33/69/557783369.db2.gz ZEGAYHHFNZJUKV-UHFFFAOYSA-N 1 2 417.531 1.699 40 0 HDABLO Cc1oc2c(c1CC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)C(=O)CC(C)(C)C2 ZINC000012360909 558387040 /nfs/dbraw/zinc/38/70/40/558387040.db2.gz PKWGPMGVJSCMBL-OAHLLOKOSA-N 1 2 424.563 1.863 40 0 HDABLO CCCNS(=O)(=O)c1cc(C(=O)NCC[NH+]2CCOCC2)ccc1N1CCCC1 ZINC000023227869 558543683 /nfs/dbraw/zinc/54/36/83/558543683.db2.gz HBRUHPPXNFSXKA-UHFFFAOYSA-N 1 2 424.567 1.037 40 0 HDABLO COc1ccc(N([C@H](C)C(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)cc1Cl ZINC000013682007 558567100 /nfs/dbraw/zinc/56/71/00/558567100.db2.gz JGECHQGTWSIWBR-CYBMUJFWSA-N 1 2 414.915 1.906 40 0 HDABLO CC(C)NC(=O)Cn1cc(C[NH+]2CCN(S(=O)(=O)N(C)C)CC2)c2ccccc21 ZINC000036741503 558802301 /nfs/dbraw/zinc/80/23/01/558802301.db2.gz ZWDDXNNNYRZOAL-UHFFFAOYSA-N 1 2 421.567 1.090 40 0 HDABLO COc1ccc(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)c(OC)c1 ZINC000072347244 558943901 /nfs/dbraw/zinc/94/39/01/558943901.db2.gz HGMXCAOEUFYHJO-HUUCEWRRSA-N 1 2 414.506 1.959 40 0 HDABLO COc1ccc(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)c(OC)c1 ZINC000072347244 558943902 /nfs/dbraw/zinc/94/39/02/558943902.db2.gz HGMXCAOEUFYHJO-HUUCEWRRSA-N 1 2 414.506 1.959 40 0 HDABLO Cc1ccc(S(=O)(=O)N2Cc3c[nH+]cn3[C@H](C(=O)NCc3cccnc3)C2)cc1 ZINC000585096040 559023364 /nfs/dbraw/zinc/02/33/64/559023364.db2.gz OJGSYHLCBVYFFG-IBGZPJMESA-N 1 2 411.487 1.649 40 0 HDABLO COc1ncc(C[N@@H+]2CCO[C@]3(CO[C@H](C(=O)NCc4ccon4)C3)C2)cc1C ZINC000585102177 559025394 /nfs/dbraw/zinc/02/53/94/559025394.db2.gz JCHZKKPEXLTCIL-PXNSSMCTSA-N 1 2 402.451 1.063 40 0 HDABLO COc1ncc(C[N@H+]2CCO[C@]3(CO[C@H](C(=O)NCc4ccon4)C3)C2)cc1C ZINC000585102177 559025396 /nfs/dbraw/zinc/02/53/96/559025396.db2.gz JCHZKKPEXLTCIL-PXNSSMCTSA-N 1 2 402.451 1.063 40 0 HDABLO CCOC(=O)[C@H]1CN(c2ncccn2)C[C@@H]2CN(C(=O)c3ccccc3C)CC[N@@H+]2C1 ZINC000585108180 559030046 /nfs/dbraw/zinc/03/00/46/559030046.db2.gz NBXLKEDMGWZQFE-MOPGFXCFSA-N 1 2 423.517 1.611 40 0 HDABLO CCOC(=O)[C@H]1CN(c2ncccn2)C[C@@H]2CN(C(=O)c3ccccc3C)CC[N@H+]2C1 ZINC000585108180 559030047 /nfs/dbraw/zinc/03/00/47/559030047.db2.gz NBXLKEDMGWZQFE-MOPGFXCFSA-N 1 2 423.517 1.611 40 0 HDABLO Cc1cc(NC(=O)c2ccc3nnc([C@@H]4CN(C(=O)N(C)C)CCN4C)n3c2)cc[nH+]1 ZINC000096156772 559100709 /nfs/dbraw/zinc/10/07/09/559100709.db2.gz ODZDSFCUPAGIIV-KRWDZBQOSA-N 1 2 422.493 1.655 40 0 HDABLO CC(C)CN1Cc2c(C(=O)N3CC[NH+](C)CC3)ncn2-c2ccccc2S1(=O)=O ZINC000096266156 559107657 /nfs/dbraw/zinc/10/76/57/559107657.db2.gz QRNNXIDIBUHXGT-UHFFFAOYSA-N 1 2 417.535 1.420 40 0 HDABLO COc1ccc(-c2c(C)nn3c2nnc(C(=O)N2CC[NH+](C)CC2)c3C)cc1OC ZINC000013639254 560826021 /nfs/dbraw/zinc/82/60/21/560826021.db2.gz QOXJYAKIBZMNJV-UHFFFAOYSA-N 1 2 410.478 1.813 40 0 HDABLO CCS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000014401907 560845253 /nfs/dbraw/zinc/84/52/53/560845253.db2.gz MCHYWFJPGUHKGW-UHFFFAOYSA-N 1 2 408.480 1.017 40 0 HDABLO COc1ccc(C(=O)N2CCC(C(=O)NCC[NH+]3CCOCC3)CC2)cc1OC ZINC000223125414 568538431 /nfs/dbraw/zinc/53/84/31/568538431.db2.gz MEMHNPTUJZACLL-UHFFFAOYSA-N 1 2 405.495 1.004 40 0 HDABLO CS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000026456029 568549694 /nfs/dbraw/zinc/54/96/94/568549694.db2.gz YIXPMELOINFWEA-UHFFFAOYSA-N 1 2 410.323 1.208 40 0 HDABLO C[NH+]1CCC(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)CC1 ZINC000223550833 568551520 /nfs/dbraw/zinc/55/15/20/568551520.db2.gz OQJYQLPBCNSXDI-UHFFFAOYSA-N 1 2 415.928 1.816 40 0 HDABLO Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCCn3cc[nH+]c3)s2)c1 ZINC000224057003 568568111 /nfs/dbraw/zinc/56/81/11/568568111.db2.gz RNFHOAFAXUUMAA-UHFFFAOYSA-N 1 2 406.493 1.664 40 0 HDABLO COc1ccc(OC)c(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000225218033 568624174 /nfs/dbraw/zinc/62/41/74/568624174.db2.gz XIXIMKZVERAABM-UHFFFAOYSA-N 1 2 402.524 1.602 40 0 HDABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(N2CCCC2)cc(N2CCCC2)n1 ZINC000225903020 568684866 /nfs/dbraw/zinc/68/48/66/568684866.db2.gz QJRQWOWEPXUKSF-UHFFFAOYSA-N 1 2 405.572 1.296 40 0 HDABLO Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NCC[NH+]3CCOCC3)CC2)c1 ZINC000225926906 568686727 /nfs/dbraw/zinc/68/67/27/568686727.db2.gz DDXDWZMAWNUWKW-UHFFFAOYSA-N 1 2 409.552 1.153 40 0 HDABLO CN(c1ccc(CC(=O)NCC[NH+]2CCOCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000225982174 568690036 /nfs/dbraw/zinc/69/00/36/568690036.db2.gz MWTWTBQZAPEEBG-UHFFFAOYSA-N 1 2 417.531 1.503 40 0 HDABLO CNc1nc([C@@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)nc2c1C[N@H+](C)CC2 ZINC000257227393 568784204 /nfs/dbraw/zinc/78/42/04/568784204.db2.gz FPBSSJZHJUHMNZ-OAHLLOKOSA-N 1 2 409.490 1.907 40 0 HDABLO CNc1nc([C@@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)nc2c1C[N@@H+](C)CC2 ZINC000257227393 568784205 /nfs/dbraw/zinc/78/42/05/568784205.db2.gz FPBSSJZHJUHMNZ-OAHLLOKOSA-N 1 2 409.490 1.907 40 0 HDABLO COCc1nnc(NC(=O)C[N@@H+]2CCC[C@@](O)(COc3ccccc3)CC2)s1 ZINC000257242165 568788117 /nfs/dbraw/zinc/78/81/17/568788117.db2.gz IBJKAGIHVWKZJW-IBGZPJMESA-N 1 2 406.508 1.919 40 0 HDABLO COCc1nnc(NC(=O)C[N@H+]2CCC[C@@](O)(COc3ccccc3)CC2)s1 ZINC000257242165 568788119 /nfs/dbraw/zinc/78/81/19/568788119.db2.gz IBJKAGIHVWKZJW-IBGZPJMESA-N 1 2 406.508 1.919 40 0 HDABLO CN(C)c1cc(N2CCC[C@@](C)(C(=O)N3CCN(c4ncccn4)CC3)C2)nc[nH+]1 ZINC000257257483 568792269 /nfs/dbraw/zinc/79/22/69/568792269.db2.gz KPUWHIQWSJHXAL-OAQYLSRUSA-N 1 2 410.526 1.288 40 0 HDABLO CN(C)c1cc(N2CCC[C@@](C)(C(=O)N3CCN(c4ncccn4)CC3)C2)[nH+]cn1 ZINC000257257483 568792270 /nfs/dbraw/zinc/79/22/70/568792270.db2.gz KPUWHIQWSJHXAL-OAQYLSRUSA-N 1 2 410.526 1.288 40 0 HDABLO CNc1nc([C@@H]2CCN(S(=O)(=O)c3ccccc3OC)C2)nc2c1C[N@H+](C)CC2 ZINC000257267437 568794795 /nfs/dbraw/zinc/79/47/95/568794795.db2.gz MHHRDYJQJRCVRI-CQSZACIVSA-N 1 2 417.535 1.693 40 0 HDABLO CNc1nc([C@@H]2CCN(S(=O)(=O)c3ccccc3OC)C2)nc2c1C[N@@H+](C)CC2 ZINC000257267437 568794797 /nfs/dbraw/zinc/79/47/97/568794797.db2.gz MHHRDYJQJRCVRI-CQSZACIVSA-N 1 2 417.535 1.693 40 0 HDABLO NC(=O)[C@@]1(c2ccccn2)CCCN1C(=O)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000257295858 568803196 /nfs/dbraw/zinc/80/31/96/568803196.db2.gz RAECCGDFQQJOHU-QHCPKHFHSA-N 1 2 424.501 1.409 40 0 HDABLO Cc1cc(OCC(=O)N(C)[C@@H]2CC[C@@H]([N@@H+]3CCNC(=O)C3)[C@@H]2O)cc(C)c1Cl ZINC000257300002 568804484 /nfs/dbraw/zinc/80/44/84/568804484.db2.gz RSNBIORCFCOJCE-JXXFODFXSA-N 1 2 409.914 1.118 40 0 HDABLO Cc1cc(OCC(=O)N(C)[C@@H]2CC[C@@H]([N@H+]3CCNC(=O)C3)[C@@H]2O)cc(C)c1Cl ZINC000257300002 568804486 /nfs/dbraw/zinc/80/44/86/568804486.db2.gz RSNBIORCFCOJCE-JXXFODFXSA-N 1 2 409.914 1.118 40 0 HDABLO CNC(=O)c1cccc([C@H]2CN(CC(=O)N3CC(=O)Nc4ccccc43)CC[N@@H+]2C)c1 ZINC000257321855 568811096 /nfs/dbraw/zinc/81/10/96/568811096.db2.gz WDNYMSQOCYPGFK-HXUWFJFHSA-N 1 2 421.501 1.320 40 0 HDABLO CNC(=O)c1cccc([C@H]2CN(CC(=O)N3CC(=O)Nc4ccccc43)CC[N@H+]2C)c1 ZINC000257321855 568811097 /nfs/dbraw/zinc/81/10/97/568811097.db2.gz WDNYMSQOCYPGFK-HXUWFJFHSA-N 1 2 421.501 1.320 40 0 HDABLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NCC3CC3)cn21 ZINC000306137230 568899219 /nfs/dbraw/zinc/89/92/19/568899219.db2.gz QPYHXFRQJNHCGK-IBGZPJMESA-N 1 2 405.506 1.753 40 0 HDABLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NCC3CC3)cn21 ZINC000306137230 568899220 /nfs/dbraw/zinc/89/92/20/568899220.db2.gz QPYHXFRQJNHCGK-IBGZPJMESA-N 1 2 405.506 1.753 40 0 HDABLO COc1cccc(CN2C[C@@]3(F)CN(C(=O)C=Cc4c[nH]c[nH+]4)C[C@@]3(F)C2=O)c1 ZINC000306138157 568900222 /nfs/dbraw/zinc/90/02/22/568900222.db2.gz RRHJAAGLZGJCEK-BGEOSOQGSA-N 1 2 402.401 1.733 40 0 HDABLO COCCN1CC[C@@]2(CN(C(=O)Cc3ccccc3C)C[C@H]2c2cn(C)c[nH+]2)C1=O ZINC000306143987 568905326 /nfs/dbraw/zinc/90/53/26/568905326.db2.gz YSSRWHLJTYYKLJ-CVDCTZTESA-N 1 2 410.518 1.762 40 0 HDABLO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[NH2+]CC2=O)N1CCOCC1 ZINC000253396896 569365259 /nfs/dbraw/zinc/36/52/59/569365259.db2.gz FDNASLCRJZIUIX-NAJGYHNQSA-N 1 2 413.518 1.438 40 0 HDABLO CCN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc(C)ncc1C(=O)N1CCOCC1 ZINC000019766918 520479086 /nfs/dbraw/zinc/47/90/86/520479086.db2.gz XYGUVZVMOCULPT-GOSISDBHSA-N 1 2 403.527 1.653 40 0 HDABLO CCN(CC)C(=O)C[N@H+]1CCCC[C@@H]1c1nc(C)ncc1C(=O)N1CCOCC1 ZINC000019766918 520479094 /nfs/dbraw/zinc/47/90/94/520479094.db2.gz XYGUVZVMOCULPT-GOSISDBHSA-N 1 2 403.527 1.653 40 0 HDABLO CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408607864 557521986 /nfs/dbraw/zinc/52/19/86/557521986.db2.gz QRSCMFMDRMUHOR-MRXNPFEDSA-N 1 2 408.524 1.791 40 0 HDABLO CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCCC4)nc(N)c32)cc1 ZINC000019974093 558316996 /nfs/dbraw/zinc/31/69/96/558316996.db2.gz DCQUXDVJYXQROH-CQSZACIVSA-N 1 2 424.461 1.900 40 0 HDABLO COc1ccccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)S(C)(=O)=O ZINC000020107014 558333857 /nfs/dbraw/zinc/33/38/57/558333857.db2.gz VKAZZTKTZUSFJP-UHFFFAOYSA-N 1 2 414.487 1.963 40 0 HDABLO COc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)cc1 ZINC000020494728 558379876 /nfs/dbraw/zinc/37/98/76/558379876.db2.gz NXXJAOMEAMXATF-UHFFFAOYSA-N 1 2 414.487 1.963 40 0 HDABLO CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)cc1 ZINC000020635731 558395921 /nfs/dbraw/zinc/39/59/21/558395921.db2.gz ZFJVLMKXVPPHBT-AWEZNQCLSA-N 1 2 412.450 1.359 40 0 HDABLO Cc1cc(N2CCOCC2)nc(SCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000019141761 558846420 /nfs/dbraw/zinc/84/64/20/558846420.db2.gz MCIJCWYMGDWUJP-UHFFFAOYSA-N 1 2 414.535 1.458 40 0 HDABLO Cc1csc2c(C3CCN(S(=O)(=O)[C@@H]4CCS(=O)(=O)C4)CC3)[nH+]c(C)n12 ZINC000019240576 558859214 /nfs/dbraw/zinc/85/92/14/558859214.db2.gz FMJKLWBZRKXXRA-CQSZACIVSA-N 1 2 417.578 1.709 40 0 HDABLO CCS(=O)(=O)N1CC[NH+](Cc2cn(CC(=O)NC(C)C)c3ccccc23)CC1 ZINC000019520375 558901291 /nfs/dbraw/zinc/90/12/91/558901291.db2.gz XCADZPXVBZYRQB-UHFFFAOYSA-N 1 2 406.552 1.633 40 0 HDABLO CS(=O)(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019572367 558930655 /nfs/dbraw/zinc/93/06/55/558930655.db2.gz JTVMJKWWMBCHFW-ZDUSSCGKSA-N 1 2 408.549 1.941 40 0 HDABLO CS(=O)(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019572367 558930657 /nfs/dbraw/zinc/93/06/57/558930657.db2.gz JTVMJKWWMBCHFW-ZDUSSCGKSA-N 1 2 408.549 1.941 40 0 HDABLO CS(=O)(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3Cc3cccs3)[nH]c(=O)c2C1 ZINC000019572653 558930880 /nfs/dbraw/zinc/93/08/80/558930880.db2.gz XOPOZRWWRSSWHS-MRXNPFEDSA-N 1 2 408.549 1.876 40 0 HDABLO CS(=O)(=O)N1CCc2nc([C@H]3CCCC[N@H+]3Cc3cccs3)[nH]c(=O)c2C1 ZINC000019572653 558930883 /nfs/dbraw/zinc/93/08/83/558930883.db2.gz XOPOZRWWRSSWHS-MRXNPFEDSA-N 1 2 408.549 1.876 40 0 HDABLO CS(=O)(=O)N1CCc2c(=O)[nH]c([C@@H]3CCC[N@@H+]3Cc3ccccc3F)nc2C1 ZINC000019572992 558931349 /nfs/dbraw/zinc/93/13/49/558931349.db2.gz LJPYWRFLOYLFSQ-KRWDZBQOSA-N 1 2 406.483 1.976 40 0 HDABLO CS(=O)(=O)N1CCc2c(=O)[nH]c([C@@H]3CCC[N@H+]3Cc3ccccc3F)nc2C1 ZINC000019572992 558931350 /nfs/dbraw/zinc/93/13/50/558931350.db2.gz LJPYWRFLOYLFSQ-KRWDZBQOSA-N 1 2 406.483 1.976 40 0 HDABLO O=C(C[NH+]1CCC(c2ccc(C(=O)N3CCOCC3)cn2)CC1)Nc1nccs1 ZINC000019705795 558968331 /nfs/dbraw/zinc/96/83/31/558968331.db2.gz QABQBIMVJDWSTE-UHFFFAOYSA-N 1 2 415.519 1.829 40 0 HDABLO C[NH+]1CCN(C(=O)c2ccc(C3CCN(C(=O)c4csnn4)CC3)nc2)CC1 ZINC000019708344 558970556 /nfs/dbraw/zinc/97/05/56/558970556.db2.gz CLDLOIANEXCBGZ-UHFFFAOYSA-N 1 2 400.508 1.341 40 0 HDABLO Cc1ccc([C@@]2(O)CCN(C(=O)c3cccc(-n4nnnc4C[NH+](C)C)c3)C2)cc1 ZINC000019717754 558980660 /nfs/dbraw/zinc/98/06/60/558980660.db2.gz SVGCRWVHHWLGTD-JOCHJYFZSA-N 1 2 406.490 1.766 40 0 HDABLO CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000019718480 558981832 /nfs/dbraw/zinc/98/18/32/558981832.db2.gz VPAGLYAMCJEAKH-INIZCTEOSA-N 1 2 419.551 1.645 40 0 HDABLO Cc1cc(C(=O)N2CCc3oc(C(=O)NC[C@@H]4C[N@H+](C)CCO4)nc3C2)ccc1F ZINC000585112049 559030758 /nfs/dbraw/zinc/03/07/58/559030758.db2.gz KLVKZMOIGAMJLS-OAHLLOKOSA-N 1 2 416.453 1.381 40 0 HDABLO Cc1cc(C(=O)N2CCc3oc(C(=O)NC[C@@H]4C[N@@H+](C)CCO4)nc3C2)ccc1F ZINC000585112049 559030760 /nfs/dbraw/zinc/03/07/60/559030760.db2.gz KLVKZMOIGAMJLS-OAHLLOKOSA-N 1 2 416.453 1.381 40 0 HDABLO COc1cccc(CCNC(=O)[C@@H]2c3c([nH+]cn3C(C)C)CCN2S(C)(=O)=O)c1 ZINC000096147261 559098255 /nfs/dbraw/zinc/09/82/55/559098255.db2.gz OLOFEWBZZBZZFY-IBGZPJMESA-N 1 2 420.535 1.690 40 0 HDABLO O=C(NCC1CC1)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(S(=O)(=O)C1CC1)CCC2 ZINC000096251444 559105425 /nfs/dbraw/zinc/10/54/25/559105425.db2.gz JBFSUVNHVAVDOK-UTKZUKDTSA-N 1 2 418.563 1.618 40 0 HDABLO C[NH+]1CCN(C(=O)c2ncn3c2CN(CC2CC2)S(=O)(=O)c2ccccc2-3)CC1 ZINC000096266203 559107646 /nfs/dbraw/zinc/10/76/46/559107646.db2.gz JOYZJFUKICYOFL-UHFFFAOYSA-N 1 2 415.519 1.174 40 0 HDABLO NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCCN4Cc4[nH]cc[nH+]4)n3)ccn2)CC1 ZINC000035424737 560080452 /nfs/dbraw/zinc/08/04/52/560080452.db2.gz FRKQKLIIACYZCK-INIZCTEOSA-N 1 2 422.493 1.894 40 0 biogenic,in-vitro HDABLO O=C(Nc1ccccc1F)[C@@H]1C=C([O-])NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+]1 ZINC000014606981 560846748 /nfs/dbraw/zinc/84/67/48/560846748.db2.gz LYSXFQOCRIWBKS-IBGZPJMESA-N 1 2 409.465 1.827 40 0 HDABLO O=C(Nc1cccc(F)c1)[C@@H]1C=C([O-])NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+]1 ZINC000014606983 560846750 /nfs/dbraw/zinc/84/67/50/560846750.db2.gz SNVABVMJABROEU-IBGZPJMESA-N 1 2 409.465 1.827 40 0 HDABLO COCCn1nnnc1[C@@H](CC(C)C)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019446864 560873036 /nfs/dbraw/zinc/87/30/36/560873036.db2.gz XTVKMROBMQGCLR-GOSISDBHSA-N 1 2 416.526 1.953 40 0 HDABLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019583868 560874346 /nfs/dbraw/zinc/87/43/46/560874346.db2.gz JAELHVQHVHXHMZ-UHFFFAOYSA-N 1 2 423.560 1.443 40 0 HDABLO COc1cc(Cl)cc2cc(C(=O)N(C)[C@@H]3CC[C@@H]([N@@H+]4CCNC(=O)C4)[C@@H]3O)oc21 ZINC000257216570 568780869 /nfs/dbraw/zinc/78/08/69/568780869.db2.gz CVCBPOBWUBMJSP-HBUWYVDXSA-N 1 2 421.881 1.491 40 0 HDABLO COc1cc(Cl)cc2cc(C(=O)N(C)[C@@H]3CC[C@@H]([N@H+]4CCNC(=O)C4)[C@@H]3O)oc21 ZINC000257216570 568780870 /nfs/dbraw/zinc/78/08/70/568780870.db2.gz CVCBPOBWUBMJSP-HBUWYVDXSA-N 1 2 421.881 1.491 40 0 HDABLO COc1cccc(O[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@H]([NH+]3CCOCC3)[C@H]2O)c1 ZINC000257240692 568787654 /nfs/dbraw/zinc/78/76/54/568787654.db2.gz HURZNEKYTDAIFH-YRXWBPOGSA-N 1 2 408.495 1.801 40 0 HDABLO C[N@@H+]1CC[C@@H](COc2ncccc2F)CC12CN(S(=O)(=O)c1cccnc1)C2 ZINC000306143256 568904680 /nfs/dbraw/zinc/90/46/80/568904680.db2.gz XXFSTWGDBHZULB-OAHLLOKOSA-N 1 2 406.483 1.780 40 0 HDABLO C[N@H+]1CC[C@@H](COc2ncccc2F)CC12CN(S(=O)(=O)c1cccnc1)C2 ZINC000306143256 568904683 /nfs/dbraw/zinc/90/46/83/568904683.db2.gz XXFSTWGDBHZULB-OAHLLOKOSA-N 1 2 406.483 1.780 40 0 HDABLO O=C(Nc1ccc(OCC[NH+]2CCOCC2)cc1)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000524734865 569291834 /nfs/dbraw/zinc/29/18/34/569291834.db2.gz SANZLSFLGJTZIH-IYARVYRRSA-N 1 2 414.510 1.829 40 0 HDABLO COc1cc(C[N@@H+]2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)cc(OC)c1OC ZINC000096269143 291195884 /nfs/dbraw/zinc/19/58/84/291195884.db2.gz JCTZRVAOUAMXND-QGZVFWFLSA-N 1 2 405.495 1.813 40 0 biogenic,in-vitro HDABLO COc1cc(C[N@H+]2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)cc(OC)c1OC ZINC000096269143 291195885 /nfs/dbraw/zinc/19/58/85/291195885.db2.gz JCTZRVAOUAMXND-QGZVFWFLSA-N 1 2 405.495 1.813 40 0 biogenic,in-vitro HDABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3cccs3)C2)C(=O)N1Cc1ccccc1F ZINC000225390921 291201818 /nfs/dbraw/zinc/20/18/18/291201818.db2.gz QGYJZDYIOAWYQE-QAPCUYQASA-N 1 2 415.490 1.446 40 0 biogenic,in-vitro HDABLO CS(=O)(=O)N1CCCc2cc([C@@H](O)C[N@@H+]3CCN(C4CCCC4)C(=O)C3)ccc21 ZINC000012291480 132357999 /nfs/dbraw/zinc/35/79/99/132357999.db2.gz SMXZRXLATHWDEY-FQEVSTJZSA-N 1 2 421.563 1.519 40 0 HDABLO CS(=O)(=O)N1CCCc2cc([C@@H](O)C[N@H+]3CCN(C4CCCC4)C(=O)C3)ccc21 ZINC000012291480 132358000 /nfs/dbraw/zinc/35/80/00/132358000.db2.gz SMXZRXLATHWDEY-FQEVSTJZSA-N 1 2 421.563 1.519 40 0 HDABLO COc1ccc(Nc2nc(N[C@@H]3CCS(=O)(=O)C3)[nH+]c(N3CCOCC3)n2)cc1 ZINC000032603934 524719071 /nfs/dbraw/zinc/71/90/71/524719071.db2.gz PATCOPZUJCFYQJ-CQSZACIVSA-N 1 2 420.495 1.059 40 0 HDABLO O=C(NCCCn1cc[nH+]c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408607036 557519061 /nfs/dbraw/zinc/51/90/61/557519061.db2.gz PUENCOCXAJXTDO-FQEVSTJZSA-N 1 2 412.515 1.979 40 0 HDABLO Cc1ccc(N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000408617196 557543965 /nfs/dbraw/zinc/54/39/65/557543965.db2.gz IMRVGIXLGUVUEF-UHFFFAOYSA-N 1 2 417.531 1.639 40 0 HDABLO C[C@@H](C(=O)NCCCn1cc[nH+]c1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408703352 557728421 /nfs/dbraw/zinc/72/84/21/557728421.db2.gz FKTKKNGWFKJIER-AWEZNQCLSA-N 1 2 408.480 1.015 40 0 HDABLO c1ccc2c(c1)nc1n2[C@H](c2cccnc2)NC2=NCN(CC[NH+]3CCOCC3)CN12 ZINC000020638626 558396949 /nfs/dbraw/zinc/39/69/49/558396949.db2.gz MKLCWWYEHCCZKM-HXUWFJFHSA-N 1 2 418.505 1.307 40 0 HDABLO CCCc1c(COC)nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[nH]c1=O ZINC000022448466 558489871 /nfs/dbraw/zinc/48/98/71/558489871.db2.gz FIGNHYCSDJIHQW-UHFFFAOYSA-N 1 2 400.479 1.920 40 0 HDABLO CCOC(=O)Cc1c(C)nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[nH]c1=O ZINC000013611350 558548544 /nfs/dbraw/zinc/54/85/44/558548544.db2.gz VRIQYADSSGPZQD-UHFFFAOYSA-N 1 2 414.462 1.235 40 0 HDABLO CC(=O)N1CCC(N(CC[NH+]2CCOCC2)C(=O)c2cn3cc(C)ccc3n2)CC1 ZINC000019234338 558853634 /nfs/dbraw/zinc/85/36/34/558853634.db2.gz CUJLJDYMHYMTTO-UHFFFAOYSA-N 1 2 413.522 1.428 40 0 HDABLO CCn1cc(C[NH+]2CCN(C(=O)Cn3c(=O)oc4ccc(Cl)cc43)CC2)cn1 ZINC000019524964 558906279 /nfs/dbraw/zinc/90/62/79/558906279.db2.gz PQLJFSYNIBHSRY-UHFFFAOYSA-N 1 2 403.870 1.809 40 0 HDABLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000019592483 558943293 /nfs/dbraw/zinc/94/32/93/558943293.db2.gz QZRQKQBEDPKVBL-IBGZPJMESA-N 1 2 412.490 1.127 40 0 HDABLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000019592483 558943296 /nfs/dbraw/zinc/94/32/96/558943296.db2.gz QZRQKQBEDPKVBL-IBGZPJMESA-N 1 2 412.490 1.127 40 0 HDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(N4C[C@H](C)O[C@@H](C)C4)nc3C2)cc1CO ZINC000072347284 558944271 /nfs/dbraw/zinc/94/42/71/558944271.db2.gz CHKVKIQUPYAFCR-GJZGRUSLSA-N 1 2 414.506 1.855 40 0 HDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(N4C[C@H](C)O[C@@H](C)C4)nc3C2)cc1CO ZINC000072347284 558944272 /nfs/dbraw/zinc/94/42/72/558944272.db2.gz CHKVKIQUPYAFCR-GJZGRUSLSA-N 1 2 414.506 1.855 40 0 HDABLO Cn1nnc(-c2ccc(C(=O)Nc3cccc(OCC[NH+]4CCOCC4)c3)cc2)n1 ZINC000019658197 558950210 /nfs/dbraw/zinc/95/02/10/558950210.db2.gz JFHQFXYVXSUDPA-UHFFFAOYSA-N 1 2 408.462 1.840 40 0 HDABLO CO[C@H]1CC[C@H](C(=O)NCCc2cc(N3CCOCC3)nc(N3CCCC3)[nH+]2)CC1 ZINC000257257188 558994714 /nfs/dbraw/zinc/99/47/14/558994714.db2.gz KOLCKJUALRPGHQ-UAPYVXQJSA-N 1 2 417.554 1.777 40 0 HDABLO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](C[N@H+]3CCN(C)C(=O)C3)C2)CC1 ZINC000585103173 559026520 /nfs/dbraw/zinc/02/65/20/559026520.db2.gz FGEUEKSZJCJIGF-GOSISDBHSA-N 1 2 421.563 1.329 40 0 HDABLO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](C[N@@H+]3CCN(C)C(=O)C3)C2)CC1 ZINC000585103173 559026521 /nfs/dbraw/zinc/02/65/21/559026521.db2.gz FGEUEKSZJCJIGF-GOSISDBHSA-N 1 2 421.563 1.329 40 0 HDABLO C[N@@H+]1CCO[C@H](CNC(=O)c2nc3c(o2)CCN(Cc2ccc(F)cc2F)C3)C1 ZINC000585111433 559030495 /nfs/dbraw/zinc/03/04/95/559030495.db2.gz AKTKRBCBRQTMGB-OAHLLOKOSA-N 1 2 406.433 1.572 40 0 HDABLO C[N@H+]1CCO[C@H](CNC(=O)c2nc3c(o2)CCN(Cc2ccc(F)cc2F)C3)C1 ZINC000585111433 559030496 /nfs/dbraw/zinc/03/04/96/559030496.db2.gz AKTKRBCBRQTMGB-OAHLLOKOSA-N 1 2 406.433 1.572 40 0 HDABLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(S(=O)(=O)c1cccc(F)c1)CC2 ZINC000096230230 559102895 /nfs/dbraw/zinc/10/28/95/559102895.db2.gz HXOIKKOGQPLMSA-UHFFFAOYSA-N 1 2 417.506 1.981 40 0 HDABLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(S(=O)(=O)c1cccc(F)c1)CC2 ZINC000096230230 559102896 /nfs/dbraw/zinc/10/28/96/559102896.db2.gz HXOIKKOGQPLMSA-UHFFFAOYSA-N 1 2 417.506 1.981 40 0 HDABLO O=C(NCc1cccnc1)[C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096251050 559105207 /nfs/dbraw/zinc/10/52/07/559105207.db2.gz FWBGXJLBQDMXLZ-GUDVDZBRSA-N 1 2 400.504 1.028 40 0 HDABLO O=C(NCc1cccnc1)[C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096251050 559105208 /nfs/dbraw/zinc/10/52/08/559105208.db2.gz FWBGXJLBQDMXLZ-GUDVDZBRSA-N 1 2 400.504 1.028 40 0 HDABLO O=C(C1CCC1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251490 559105408 /nfs/dbraw/zinc/10/54/08/559105408.db2.gz KTLLNRCDNOPBGV-CVDCTZTESA-N 1 2 412.534 1.786 40 0 HDABLO CC(C)Nc1nc(N2CCOCC2)[nH+]c2c1CN(S(=O)(=O)c1ccccc1)CC2 ZINC000096254284 559105818 /nfs/dbraw/zinc/10/58/18/559105818.db2.gz XMCSYZUTPMPNMX-UHFFFAOYSA-N 1 2 417.535 1.881 40 0 HDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000096254923 559106003 /nfs/dbraw/zinc/10/60/03/559106003.db2.gz NQBRKDPVTLMVQT-UHFFFAOYSA-N 1 2 417.535 1.169 40 0 HDABLO NC(=O)C[C@]1(COc2ccc(Cl)cc2)CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000585282856 559120342 /nfs/dbraw/zinc/12/03/42/559120342.db2.gz BECGESAZSLSUBY-LJQANCHMSA-N 1 2 406.870 1.479 40 0 HDABLO COc1ccc(Cn2nnnc2C[NH+]2CCC(Nc3nc(C)cc(=O)[nH]3)CC2)cc1 ZINC000005625831 560627978 /nfs/dbraw/zinc/62/79/78/560627978.db2.gz RKSSNZIOOAUXSS-UHFFFAOYSA-N 1 2 410.482 1.198 40 0 HDABLO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(O)cc1)[NH2+][C@@]2(Cc1ccc(O)cc1)C(=O)OC ZINC000019526823 560874545 /nfs/dbraw/zinc/87/45/45/560874545.db2.gz TYLZOQAXNXQEBE-KEXUJGGDSA-N 1 2 424.453 1.518 40 0 HDABLO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000025767300 568535254 /nfs/dbraw/zinc/53/52/54/568535254.db2.gz CJHYLDRDEFXBEE-KRWDZBQOSA-N 1 2 423.535 1.121 40 0 HDABLO Cc1ccc(C)n1-n1c(CCC[NH+]2CCOCC2)nnc1CCC[NH+]1CCOCC1 ZINC000225152496 568618214 /nfs/dbraw/zinc/61/82/14/568618214.db2.gz UGCGVFHVDRZQJB-UHFFFAOYSA-N 1 2 416.570 1.537 40 0 HDABLO Cc1ccc(C)n1-n1c(CCCN2CCOCC2)nnc1CCC[NH+]1CCOCC1 ZINC000225152496 568618216 /nfs/dbraw/zinc/61/82/16/568618216.db2.gz UGCGVFHVDRZQJB-UHFFFAOYSA-N 1 2 416.570 1.537 40 0 HDABLO COc1cc(Sc2ncccn2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225902997 568684757 /nfs/dbraw/zinc/68/47/57/568684757.db2.gz LUQDYRHLDGZVSS-UHFFFAOYSA-N 1 2 407.525 1.045 40 0 HDABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(Cl)cc(Sc2ncccn2)n1 ZINC000225906146 568684820 /nfs/dbraw/zinc/68/48/20/568684820.db2.gz RVYGPRDJXZEMBL-UHFFFAOYSA-N 1 2 411.944 1.690 40 0 HDABLO Cc1cc2[nH+]c(CCC(=O)N3C[C@@H](O)[C@H](n4cc(C)c(=O)[nH]c4=O)C3)[nH]c2c(C)c1 ZINC000257220696 568782112 /nfs/dbraw/zinc/78/21/12/568782112.db2.gz DLTAHNXBNNOSLP-HZPDHXFCSA-N 1 2 411.462 1.127 40 0 HDABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)ncn1 ZINC000257244563 568788659 /nfs/dbraw/zinc/78/86/59/568788659.db2.gz ILWXMFTXNWFAAR-JOCHJYFZSA-N 1 2 406.490 1.743 40 0 HDABLO O=C(N[C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O)c1cccc(Br)c1O ZINC000257260696 568793078 /nfs/dbraw/zinc/79/30/78/568793078.db2.gz LDYCCDGFFLBASL-BFYDXBDKSA-N 1 2 413.312 1.889 40 0 HDABLO Cc1cc2nc(CCC(=O)N[C@@H]3CCC[C@@H]([NH+]4CCOCC4)[C@@H]3O)[nH]c2c(C)c1 ZINC000257265802 568794420 /nfs/dbraw/zinc/79/44/20/568794420.db2.gz MAIZTAOESNHSBP-RADWXHQJSA-N 1 2 400.523 1.843 40 0 HDABLO CCCS(=O)(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(CCOC)C2=O)C1 ZINC000306132993 568895178 /nfs/dbraw/zinc/89/51/78/568895178.db2.gz LYMAGILTPBDABV-QFBILLFUSA-N 1 2 412.556 1.468 40 0 HDABLO COCCN1CC[C@@]2(CN(C(=O)N3CCCC3)C[C@@H]2c2cn(C(C)C)c[nH+]2)C1=O ZINC000306142789 568904530 /nfs/dbraw/zinc/90/45/30/568904530.db2.gz XKBUASBGWYKRGA-UTKZUKDTSA-N 1 2 403.527 1.944 40 0 HDABLO Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)N3CC[NH+](C)CC3)n2C)cc1 ZINC000139306321 569354559 /nfs/dbraw/zinc/35/45/59/569354559.db2.gz JOTAACKKNBHJBA-OAHLLOKOSA-N 1 2 416.551 1.481 40 0 HDABLO O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccccc1C[NH2+]CC2=O)N1CCOCC1 ZINC000077267394 571313324 /nfs/dbraw/zinc/31/33/24/571313324.db2.gz RKKVPECPYWGQOR-ICSRJNTNSA-N 1 2 415.534 1.662 40 0 HDABLO CC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCC[NH+]3CCOCC3)[C@H](O)[C@H]2[C@@H]1C ZINC000020466044 575368454 /nfs/dbraw/zinc/36/84/54/575368454.db2.gz FAQNFNKMYPMMIY-LWEDODNHSA-N 1 2 423.598 1.399 40 0 biogenic,in-vitro HDABLO COCCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCC[NH+]2CCOCC2)C[C@H]1C(C)C ZINC000030879992 291195147 /nfs/dbraw/zinc/19/51/47/291195147.db2.gz DZQSJYBYWZRSFU-ACRUOGEOSA-N 1 2 423.598 1.832 40 0 biogenic,in-vitro HDABLO Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](Cc4ccccc4F)C3)C2=O)o1 ZINC000225397477 291198583 /nfs/dbraw/zinc/19/85/83/291198583.db2.gz JKRPXJQUXLKHIM-APWZRJJASA-N 1 2 413.449 1.286 40 0 biogenic,in-vitro HDABLO COCc1nn2c(nnc3c2ccn(N2CC[NH+](C)CC2)c3=O)c1-c1ccccc1 ZINC000040391200 523249131 /nfs/dbraw/zinc/24/91/31/523249131.db2.gz YEFOJCXSOWLGCV-UHFFFAOYSA-N 1 2 405.462 1.136 40 0 HDABLO Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)Nc2[nH+]c(N3CCOCC3)nc(N)c21 ZINC000020800048 525777401 /nfs/dbraw/zinc/77/74/01/525777401.db2.gz UPCDTZADGVETNE-NSHDSACASA-N 1 2 416.869 1.922 40 0 HDABLO CCN(CC)C(=O)C[N@@H+]1CCCC[C@H]1c1nc(C)ncc1C(=O)N1CCOCC1 ZINC000019766920 558279006 /nfs/dbraw/zinc/27/90/06/558279006.db2.gz XYGUVZVMOCULPT-SFHVURJKSA-N 1 2 403.527 1.653 40 0 HDABLO CCN(CC)C(=O)C[N@H+]1CCCC[C@H]1c1nc(C)ncc1C(=O)N1CCOCC1 ZINC000019766920 558279009 /nfs/dbraw/zinc/27/90/09/558279009.db2.gz XYGUVZVMOCULPT-SFHVURJKSA-N 1 2 403.527 1.653 40 0 HDABLO Nc1nc(N2CCOCC2)[nH+]c2c1[C@H](C(=O)Nc1ccc(F)c(F)c1)CC(=O)N2 ZINC000019974073 558317066 /nfs/dbraw/zinc/31/70/66/558317066.db2.gz SUTCGVFSEMSHAV-SNVBAGLBSA-N 1 2 404.377 1.238 40 0 HDABLO Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000020061712 558329415 /nfs/dbraw/zinc/32/94/15/558329415.db2.gz ZLWJLKOLANLYAK-UHFFFAOYSA-N 1 2 409.552 1.622 40 0 HDABLO CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)Oc2ccccc21 ZINC000020105378 558333207 /nfs/dbraw/zinc/33/32/07/558333207.db2.gz YJGNYTNSWZIZDQ-LJQANCHMSA-N 1 2 412.471 1.716 40 0 HDABLO COc1cc(C(=O)N2CCN([C@@H](c3[nH+]ccn3C)c3ccccc3)CC2)nc(OC)n1 ZINC000019291313 558863919 /nfs/dbraw/zinc/86/39/19/558863919.db2.gz MBHWUNQYHHTCRI-LJQANCHMSA-N 1 2 422.489 1.775 40 0 HDABLO Cn1ccnc1-c1cc2nc3c(c(NC[C@@H](O)C[NH+]4CCOCC4)n2n1)CCCC3 ZINC000019291787 558864306 /nfs/dbraw/zinc/86/43/06/558864306.db2.gz GHHWFHNBWJRPAU-OAHLLOKOSA-N 1 2 411.510 1.114 40 0 HDABLO Cc1sc(NC(=O)CN2CC[NH+](CC(=O)N(C)C)CC2)nc1-c1ccc(F)cc1 ZINC000019555563 558918112 /nfs/dbraw/zinc/91/81/12/558918112.db2.gz HVOUHZWQEXWAQH-UHFFFAOYSA-N 1 2 419.526 1.902 40 0 HDABLO COc1ccccc1C[N@@H+]1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2 ZINC000019570372 558929295 /nfs/dbraw/zinc/92/92/95/558929295.db2.gz GMTVMCYKCMHHTI-QGZVFWFLSA-N 1 2 418.519 1.846 40 0 HDABLO COc1ccccc1C[N@H+]1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2 ZINC000019570372 558929298 /nfs/dbraw/zinc/92/92/98/558929298.db2.gz GMTVMCYKCMHHTI-QGZVFWFLSA-N 1 2 418.519 1.846 40 0 HDABLO COc1ccccc1C[N@@H+]1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2 ZINC000019570375 558929333 /nfs/dbraw/zinc/92/93/33/558929333.db2.gz GMTVMCYKCMHHTI-KRWDZBQOSA-N 1 2 418.519 1.846 40 0 HDABLO COc1ccccc1C[N@H+]1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2 ZINC000019570375 558929337 /nfs/dbraw/zinc/92/93/37/558929337.db2.gz GMTVMCYKCMHHTI-KRWDZBQOSA-N 1 2 418.519 1.846 40 0 HDABLO C[C@H](CC(=O)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1)n1cc[nH+]c1 ZINC000072338859 558938440 /nfs/dbraw/zinc/93/84/40/558938440.db2.gz JUWBCGNYRPFIRT-AUUYWEPGSA-N 1 2 403.508 1.803 40 0 HDABLO COc1ccccc1N1CCN(CC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1=O ZINC000019659027 558950751 /nfs/dbraw/zinc/95/07/51/558950751.db2.gz SDPCSFPNUAVRRR-GOSISDBHSA-N 1 2 423.517 1.476 40 0 HDABLO Cc1ccc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000019659490 558950942 /nfs/dbraw/zinc/95/09/42/558950942.db2.gz LXYHHUADACBHRX-INIZCTEOSA-N 1 2 422.551 1.127 40 0 HDABLO Cc1cc(C)n(CC(=O)N2CCC[C@H]2c2ccc(C(=O)N3CC[NH+](C)CC3)cn2)n1 ZINC000019708189 558970412 /nfs/dbraw/zinc/97/04/12/558970412.db2.gz JZCXDFGVIYQHHX-FQEVSTJZSA-N 1 2 410.522 1.646 40 0 HDABLO C[NH+]1CCN(C(=O)c2ccc(C3CCN(C(=O)C[C@H]4CCCO4)CC3)nc2)CC1 ZINC000019708311 558970583 /nfs/dbraw/zinc/97/05/83/558970583.db2.gz REMWROGKSURRCI-LJQANCHMSA-N 1 2 400.523 1.744 40 0 HDABLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1sc(N)nc1-c1ccc2c(c1)OCCO2 ZINC000019719220 558982993 /nfs/dbraw/zinc/98/29/93/558982993.db2.gz UCMCDRMXKKCIGY-ZDUSSCGKSA-N 1 2 418.519 1.543 40 0 HDABLO Cc1nc(C)c(C[N@@H+]2CCO[C@@]3(CO[C@@H](C(=O)NCc4ncc(C)cn4)C3)C2)s1 ZINC000585102156 559025368 /nfs/dbraw/zinc/02/53/68/559025368.db2.gz DDCUHJFJYJUYQV-OXQOHEQNSA-N 1 2 417.535 1.535 40 0 HDABLO Cc1nc(C)c(C[N@H+]2CCO[C@@]3(CO[C@@H](C(=O)NCc4ncc(C)cn4)C3)C2)s1 ZINC000585102156 559025370 /nfs/dbraw/zinc/02/53/70/559025370.db2.gz DDCUHJFJYJUYQV-OXQOHEQNSA-N 1 2 417.535 1.535 40 0 HDABLO CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CC[NH+](Cc2nccs2)CC3)C1=O ZINC000096036575 559090413 /nfs/dbraw/zinc/09/04/13/559090413.db2.gz WWUOWTXLHSOECS-HXUWFJFHSA-N 1 2 405.568 1.961 40 0 HDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)Cc1ccsc1)CC2 ZINC000096254897 559105814 /nfs/dbraw/zinc/10/58/14/559105814.db2.gz ZGZISUXACIXICO-UHFFFAOYSA-N 1 2 401.536 1.611 40 0 HDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)Cc1cccc(F)c1)CC2 ZINC000096254879 559105832 /nfs/dbraw/zinc/10/58/32/559105832.db2.gz WCHDFQSDVBVFDV-UHFFFAOYSA-N 1 2 413.497 1.688 40 0 HDABLO COc1ccc(S(=O)(=O)N2CCCn3nnc(C[NH+]4CCCCC4)c3C2)cc1 ZINC000096259602 559105961 /nfs/dbraw/zinc/10/59/61/559105961.db2.gz TZTBZDSDXQEKOC-UHFFFAOYSA-N 1 2 405.524 1.867 40 0 HDABLO CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000170551428 560767280 /nfs/dbraw/zinc/76/72/80/560767280.db2.gz HMRMNAAMXXDUHY-UHFFFAOYSA-N 1 2 416.503 1.833 40 0 HDABLO COCCn1nnnc1[C@H](c1ccc(C)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000020140276 560881351 /nfs/dbraw/zinc/88/13/51/560881351.db2.gz SGZWMAXCKXWASX-NRFANRHFSA-N 1 2 407.522 1.930 40 0 HDABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+]3CCC(O)CC3)cc2c1 ZINC000057531004 568493550 /nfs/dbraw/zinc/49/35/50/568493550.db2.gz BTQHRABFPHDVAL-GOSISDBHSA-N 1 2 412.494 1.824 40 0 HDABLO CC[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000220719335 568508714 /nfs/dbraw/zinc/50/87/14/568508714.db2.gz UTXIPRGIVRNQMU-INIZCTEOSA-N 1 2 417.959 1.641 40 0 HDABLO CC[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000220719410 568508745 /nfs/dbraw/zinc/50/87/45/568508745.db2.gz UTXIPRGIVRNQMU-MRXNPFEDSA-N 1 2 417.959 1.641 40 0 HDABLO O=C(c1cc(N2CCOCC2)on1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000224079497 568568974 /nfs/dbraw/zinc/56/89/74/568568974.db2.gz GDZZYGLARGVHEQ-UHFFFAOYSA-N 1 2 400.435 1.198 40 0 HDABLO CN(C)c1ncc2c(n1)[C@@]1(CC[N@H+](Cc3ccccc3S(C)(=O)=O)C1)COC2 ZINC000248114861 568747416 /nfs/dbraw/zinc/74/74/16/568747416.db2.gz LEAQMWXVHGUJKS-HXUWFJFHSA-N 1 2 402.520 1.620 40 0 HDABLO CN(C)c1ncc2c(n1)[C@@]1(CC[N@@H+](Cc3ccccc3S(C)(=O)=O)C1)COC2 ZINC000248114861 568747419 /nfs/dbraw/zinc/74/74/19/568747419.db2.gz LEAQMWXVHGUJKS-HXUWFJFHSA-N 1 2 402.520 1.620 40 0 HDABLO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)cc1 ZINC000257282680 568799362 /nfs/dbraw/zinc/79/93/62/568799362.db2.gz OUUGFYJENAOGQV-ICSRJNTNSA-N 1 2 409.552 1.609 40 0 HDABLO CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)cc1 ZINC000257282680 568799364 /nfs/dbraw/zinc/79/93/64/568799364.db2.gz OUUGFYJENAOGQV-ICSRJNTNSA-N 1 2 409.552 1.609 40 0 HDABLO O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257300804 568804597 /nfs/dbraw/zinc/80/45/97/568804597.db2.gz RVSUSWQSPNBZHX-HOTGVXAUSA-N 1 2 403.483 1.052 40 0 HDABLO Cc1nn2c(nccc2[C@@H]2CCN(C(=O)c3ccccn3)C2)c1C[NH+]1CCOCC1 ZINC000257312072 568807851 /nfs/dbraw/zinc/80/78/51/568807851.db2.gz UMJORUILQKJGNU-QGZVFWFLSA-N 1 2 406.490 1.895 40 0 HDABLO CCc1[nH+]c2ccccc2n1CCC(=O)N1C[C@@H](O)[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000257317963 568809564 /nfs/dbraw/zinc/80/95/64/568809564.db2.gz VLXWMXVWCFBHAF-IAGOWNOFSA-N 1 2 411.462 1.004 40 0 HDABLO Cc1ccc2[nH]c(C(=O)[O-])c(C[N@@H+]3CCOC[C@@]4(Cc5c(nc(N)[nH+]c5N)O4)C3)c2c1 ZINC000257319913 568810471 /nfs/dbraw/zinc/81/04/71/568810471.db2.gz VUORYPVYGKKBDY-OAQYLSRUSA-N 1 2 424.461 1.335 40 0 HDABLO Cc1ccc2[nH]c(C(=O)[O-])c(C[N@H+]3CCOC[C@@]4(Cc5c(nc(N)[nH+]c5N)O4)C3)c2c1 ZINC000257319913 568810472 /nfs/dbraw/zinc/81/04/72/568810472.db2.gz VUORYPVYGKKBDY-OAQYLSRUSA-N 1 2 424.461 1.335 40 0 HDABLO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC[C@@H]2O)CC1 ZINC000257342249 568816830 /nfs/dbraw/zinc/81/68/30/568816830.db2.gz ZNTPIXVMIDRDFB-SFTDATJTSA-N 1 2 411.506 1.206 40 0 HDABLO CCc1nnc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)CNC(C)=O)CCO3)c2)s1 ZINC000257344188 568817335 /nfs/dbraw/zinc/81/73/35/568817335.db2.gz ZWCMBCLXXVAGAA-OAHLLOKOSA-N 1 2 404.496 1.584 40 0 HDABLO Cn1c[nH+]c([C@@H]2CN(C(=O)Cc3ccco3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306127071 568890083 /nfs/dbraw/zinc/89/00/83/568890083.db2.gz FNYORWHKVPNNKW-WMZHIEFXSA-N 1 2 419.485 1.996 40 0 HDABLO Cc1nc(C[N@@H+]2C[C@H]3ON=C(N4CCC(C(=O)NC5CCC5)CC4)[C@@H]3C2)cs1 ZINC000306133559 568895688 /nfs/dbraw/zinc/89/56/88/568895688.db2.gz MPLYCEKUXJSVMT-QZTJIDSGSA-N 1 2 403.552 1.976 40 0 HDABLO Cc1nc(C[N@H+]2C[C@H]3ON=C(N4CCC(C(=O)NC5CCC5)CC4)[C@@H]3C2)cs1 ZINC000306133559 568895691 /nfs/dbraw/zinc/89/56/91/568895691.db2.gz MPLYCEKUXJSVMT-QZTJIDSGSA-N 1 2 403.552 1.976 40 0 HDABLO O=S1(=O)c2cccnc2O[C@@H]2C[N@@H+](Cc3ccco3)C[C@H]2N1Cc1ccccn1 ZINC000306134484 568896461 /nfs/dbraw/zinc/89/64/61/568896461.db2.gz NPDFRZXFQITTDF-QZTJIDSGSA-N 1 2 412.471 1.906 40 0 HDABLO O=S1(=O)c2cccnc2O[C@@H]2C[N@H+](Cc3ccco3)C[C@H]2N1Cc1ccccn1 ZINC000306134484 568896462 /nfs/dbraw/zinc/89/64/62/568896462.db2.gz NPDFRZXFQITTDF-QZTJIDSGSA-N 1 2 412.471 1.906 40 0 HDABLO Cn1c[nH+]c([C@@H]2CN(C(=O)c3ccnn3C)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306142123 568903762 /nfs/dbraw/zinc/90/37/62/568903762.db2.gz WQHGIWIZKMFLMU-HTAPYJJXSA-N 1 2 419.489 1.207 40 0 HDABLO COCCN1CC[C@]2(CN(C(=O)Cc3ccccc3C)C[C@H]2c2cn(C)c[nH+]2)C1=O ZINC000306143988 568905484 /nfs/dbraw/zinc/90/54/84/568905484.db2.gz YSSRWHLJTYYKLJ-WMZHIEFXSA-N 1 2 410.518 1.762 40 0 HDABLO CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)[C@H]3C1=O ZINC000248156413 569316486 /nfs/dbraw/zinc/31/64/86/569316486.db2.gz VVUJSWBUJRRBQJ-MDRIIXRWSA-N 1 2 410.449 1.567 40 0 HDABLO CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)[C@H]3C1=O ZINC000248138912 569316602 /nfs/dbraw/zinc/31/66/02/569316602.db2.gz PNEAVYGCPZHBQC-YXFNAXCISA-N 1 2 424.476 1.955 40 0 HDABLO NC(=O)c1ccc(C2CCN(C(=O)[C@H]3CCCN(c4cccc[nH+]4)C3)CC2)nc1N ZINC000019765999 569349024 /nfs/dbraw/zinc/34/90/24/569349024.db2.gz WOGDTUHAXLNPLS-INIZCTEOSA-N 1 2 408.506 1.780 40 0 HDABLO Cc1nc2nc3ccn(CC[NH+]4CCOCC4)c(=O)c3c(-c3ccc(F)cc3)n2n1 ZINC000040398557 527201385 /nfs/dbraw/zinc/20/13/85/527201385.db2.gz PNYLWGKXOZEJOV-UHFFFAOYSA-N 1 2 408.437 1.886 40 0 HDABLO O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCC[NH+]1CCOCC1 ZINC000408597920 557508105 /nfs/dbraw/zinc/50/81/05/557508105.db2.gz WLWHUJCRIARJKJ-UHFFFAOYSA-N 1 2 423.579 1.679 40 0 HDABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)cc1 ZINC000408629758 557564506 /nfs/dbraw/zinc/56/45/06/557564506.db2.gz HNHQMQDWZNWRBK-UHFFFAOYSA-N 1 2 403.504 1.858 40 0 HDABLO Cn1cc[nH+]c1[C@@H](NC(=O)Cn1cccc(C(=O)NC2CCCCC2)c1=O)C1CC1 ZINC000019750653 558270500 /nfs/dbraw/zinc/27/05/00/558270500.db2.gz RJQCFOZRQBHKCQ-IBGZPJMESA-N 1 2 411.506 1.912 40 0 HDABLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000022520458 558494502 /nfs/dbraw/zinc/49/45/02/558494502.db2.gz IWCUGKNZLSRWOJ-HXUWFJFHSA-N 1 2 423.579 1.109 40 0 HDABLO Cc1cc(N2CCN(CC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2)[nH+]c2ccccc12 ZINC000019118998 558842749 /nfs/dbraw/zinc/84/27/49/558842749.db2.gz STQPMSQEWVRGEE-QGZVFWFLSA-N 1 2 416.547 1.311 40 0 HDABLO Cn1c2ccc(S(=O)(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2sc1=O ZINC000019289856 558862401 /nfs/dbraw/zinc/86/24/01/558862401.db2.gz HQIAXVVSWFTXFS-AWEZNQCLSA-N 1 2 411.549 1.333 40 0 HDABLO CCn1cc(C[NH+]2CCN(C(=O)[C@@H](C)N3c4ccccc4O[C@H](C)C3=O)CC2)cn1 ZINC000019524944 558906267 /nfs/dbraw/zinc/90/62/67/558906267.db2.gz ZTKDMWJLPSDWJA-IAGOWNOFSA-N 1 2 411.506 1.750 40 0 HDABLO CS(=O)(=O)N1CCc2c(=O)[nH]c([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)nc2C1 ZINC000019572989 558931111 /nfs/dbraw/zinc/93/11/11/558931111.db2.gz UFIZHOPSURGILC-QGZVFWFLSA-N 1 2 406.483 1.564 40 0 HDABLO CS(=O)(=O)N1CCc2c(=O)[nH]c([C@H]3CCC[N@H+]3Cc3ccc(F)cc3)nc2C1 ZINC000019572989 558931112 /nfs/dbraw/zinc/93/11/12/558931112.db2.gz UFIZHOPSURGILC-QGZVFWFLSA-N 1 2 406.483 1.564 40 0 HDABLO Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2ccc(C(=O)N3CC[NH+](C)CC3)cn2)n1 ZINC000019708190 558970405 /nfs/dbraw/zinc/97/04/05/558970405.db2.gz JZCXDFGVIYQHHX-HXUWFJFHSA-N 1 2 410.522 1.646 40 0 HDABLO Cc1nc(C)c(CN2CCO[C@]3(CO[C@@H](C(=O)NCCCn4cc[nH+]c4)C3)C2)s1 ZINC000585102291 559025965 /nfs/dbraw/zinc/02/59/65/559025965.db2.gz WDXQUHNZIWISKH-XLIONFOSSA-N 1 2 419.551 1.523 40 0 HDABLO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCN(C)C(=O)C4)C3)CC2)c1 ZINC000585105104 559027520 /nfs/dbraw/zinc/02/75/20/559027520.db2.gz YDTBSQUSLXFXQE-KRWDZBQOSA-N 1 2 401.507 1.486 40 0 HDABLO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCN(C)C(=O)C4)C3)CC2)c1 ZINC000585105104 559027521 /nfs/dbraw/zinc/02/75/21/559027521.db2.gz YDTBSQUSLXFXQE-KRWDZBQOSA-N 1 2 401.507 1.486 40 0 HDABLO O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000096252046 559105718 /nfs/dbraw/zinc/10/57/18/559105718.db2.gz BUVHNEBWFHMMHP-ZWKOTPCHSA-N 1 2 400.504 1.210 40 0 HDABLO O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000096252046 559105719 /nfs/dbraw/zinc/10/57/19/559105719.db2.gz BUVHNEBWFHMMHP-ZWKOTPCHSA-N 1 2 400.504 1.210 40 0 HDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)c1cc(F)cc(F)c1)CC2 ZINC000096254911 559105827 /nfs/dbraw/zinc/10/58/27/559105827.db2.gz AACOHDSQXFTPCL-UHFFFAOYSA-N 1 2 417.460 1.898 40 0 HDABLO COc1cccc(S(=O)(=O)N2CCCn3nnc(C[NH+]4CCCCC4)c3C2)c1 ZINC000096259603 559105984 /nfs/dbraw/zinc/10/59/84/559105984.db2.gz DSCFRPMQBRVOGV-UHFFFAOYSA-N 1 2 405.524 1.867 40 0 HDABLO COc1cc(OC)c([C@H]2[NH+]=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)cc1OC ZINC000104279818 559159887 /nfs/dbraw/zinc/15/98/87/559159887.db2.gz SWIZMEQCEIPWTC-SFHVURJKSA-N 1 2 415.450 1.238 40 0 HDABLO O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)C[N@H+]2C2(CN(C(=O)c3ccccc3)C2)C1 ZINC000514288865 560033772 /nfs/dbraw/zinc/03/37/72/560033772.db2.gz GCVFHXIBAMLJGT-NHCUHLMSSA-N 1 2 405.498 1.401 40 0 biogenic,in-vitro HDABLO O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)C[N@@H+]2C2(CN(C(=O)c3ccccc3)C2)C1 ZINC000514288865 560033773 /nfs/dbraw/zinc/03/37/73/560033773.db2.gz GCVFHXIBAMLJGT-NHCUHLMSSA-N 1 2 405.498 1.401 40 0 biogenic,in-vitro HDABLO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(C3CCC(F)(F)CC3)C2)C1 ZINC000514288968 560033800 /nfs/dbraw/zinc/03/38/00/560033800.db2.gz HLMKAGASQDTORL-ZWKOTPCHSA-N 1 2 406.477 1.605 40 0 biogenic,in-vitro HDABLO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(C3CCC(F)(F)CC3)C2)C1 ZINC000514288968 560033801 /nfs/dbraw/zinc/03/38/01/560033801.db2.gz HLMKAGASQDTORL-ZWKOTPCHSA-N 1 2 406.477 1.605 40 0 biogenic,in-vitro HDABLO COc1ccc(NC(=O)C[S@@](=O)CC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000015935813 560857436 /nfs/dbraw/zinc/85/74/36/560857436.db2.gz WKDPCCUTYLEQKO-NDEPHWFRSA-N 1 2 407.536 1.469 40 0 HDABLO CC[NH+]1CCN([C@H](c2nnnn2CS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1 ZINC000019528107 560874813 /nfs/dbraw/zinc/87/48/13/560874813.db2.gz YMZDFIHYFIBVSM-SFHVURJKSA-N 1 2 406.556 1.748 40 0 HDABLO CCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000019824450 560875999 /nfs/dbraw/zinc/87/59/99/560875999.db2.gz USMHWHLFTOEUFK-UHFFFAOYSA-N 1 2 418.563 1.955 40 0 HDABLO CCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000019824814 560876032 /nfs/dbraw/zinc/87/60/32/560876032.db2.gz XKLATQXBOUIZLN-UHFFFAOYSA-N 1 2 404.536 1.565 40 0 HDABLO COc1ccc([C@@H]2CC(=O)c3cnc(N4CC[NH+](CCO)CC4)nc3C2)cc1OC ZINC000021123167 568461674 /nfs/dbraw/zinc/46/16/74/568461674.db2.gz LVOAZAUYBJNQRT-INIZCTEOSA-N 1 2 412.490 1.521 40 0 HDABLO COCCn1nnnc1[C@@H](C)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057674908 568493806 /nfs/dbraw/zinc/49/38/06/568493806.db2.gz GWOGNAOVYUOAEO-OAHLLOKOSA-N 1 2 400.483 1.415 40 0 HDABLO COCCn1nnnc1[C@@H](C)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057674908 568493808 /nfs/dbraw/zinc/49/38/08/568493808.db2.gz GWOGNAOVYUOAEO-OAHLLOKOSA-N 1 2 400.483 1.415 40 0 HDABLO CC[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222508555 568517070 /nfs/dbraw/zinc/51/70/70/568517070.db2.gz MHRNGBDIWASJGA-MRXNPFEDSA-N 1 2 421.922 1.472 40 0 HDABLO Cc1cc(N2CCc3ccccc3C2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225905302 568684677 /nfs/dbraw/zinc/68/46/77/568684677.db2.gz XTIJRQJWAWEBLL-UHFFFAOYSA-N 1 2 412.563 1.966 40 0 HDABLO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](N(C)C(=O)c3cc(-c4ccccc4)[nH]n3)[C@H]2O)CC1 ZINC000257215038 568780622 /nfs/dbraw/zinc/78/06/22/568780622.db2.gz COJVOARHSYNQMI-NJDAHSKKSA-N 1 2 411.506 1.205 40 0 HDABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@H]2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)n1 ZINC000257244353 568788645 /nfs/dbraw/zinc/78/86/45/568788645.db2.gz IKYGVVKEUAMXJW-GOSISDBHSA-N 1 2 406.446 1.342 40 0 HDABLO CC(=O)Nc1ccc2nc(NC(=O)C[N@@H+]3CC[C@@]4(CCCO4)[C@@H](O)C3)sc2c1 ZINC000257262060 568793519 /nfs/dbraw/zinc/79/35/19/568793519.db2.gz LJWDURSOVUZELI-LPHOPBHVSA-N 1 2 404.492 1.809 40 0 HDABLO CC(=O)Nc1ccc2nc(NC(=O)C[N@H+]3CC[C@@]4(CCCO4)[C@@H](O)C3)sc2c1 ZINC000257262060 568793520 /nfs/dbraw/zinc/79/35/20/568793520.db2.gz LJWDURSOVUZELI-LPHOPBHVSA-N 1 2 404.492 1.809 40 0 HDABLO Cc1nn2c(nccc2[C@H]2CCN(C(=O)c3ccccn3)C2)c1C[NH+]1CCOCC1 ZINC000257312071 568807883 /nfs/dbraw/zinc/80/78/83/568807883.db2.gz UMJORUILQKJGNU-KRWDZBQOSA-N 1 2 406.490 1.895 40 0 HDABLO COCCN1C[C@@]2(F)CN(C(=O)C3CCN(c4cccc[nH+]4)CC3)C[C@@]2(F)C1=O ZINC000306132336 568894523 /nfs/dbraw/zinc/89/45/23/568894523.db2.gz LFMLIZSXQFHLEA-WOJBJXKFSA-N 1 2 408.449 1.045 40 0 HDABLO CC(=O)N1C[C@]2(CCN(S(C)(=O)=O)C2)[C@H]2[C@@H]1CCC[N@@H+]2Cc1csc(C)n1 ZINC000306132564 568894903 /nfs/dbraw/zinc/89/49/03/568894903.db2.gz LMLOEFQUNVLSNJ-RCCFBDPRSA-N 1 2 412.581 1.298 40 0 HDABLO CC(=O)N1C[C@]2(CCN(S(C)(=O)=O)C2)[C@H]2[C@@H]1CCC[N@H+]2Cc1csc(C)n1 ZINC000306132564 568894905 /nfs/dbraw/zinc/89/49/05/568894905.db2.gz LMLOEFQUNVLSNJ-RCCFBDPRSA-N 1 2 412.581 1.298 40 0 HDABLO O=C(NCC[NH+]1CCOCC1)c1nc([C@H]2CCCN2c2ncccn2)n2ccccc12 ZINC000306143003 568904714 /nfs/dbraw/zinc/90/47/14/568904714.db2.gz XQKAMJDJDNSICU-GOSISDBHSA-N 1 2 421.505 1.528 40 0 HDABLO COc1ccc([C@@H](CNC(=S)NC[C@@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575425067 569026880 /nfs/dbraw/zinc/02/68/80/569026880.db2.gz XKUXFEBWPOFBDK-MAUKXSAKSA-N 1 2 411.593 1.731 40 0 HDABLO C[NH+](C)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000575425632 569026921 /nfs/dbraw/zinc/02/69/21/569026921.db2.gz VDBORGYEVMKHLB-NSHDSACASA-N 1 2 415.364 1.733 40 0 HDABLO Cc1csc2c([C@H]3CCCN(C(=O)CN(C)[C@H]4CCS(=O)(=O)C4)C3)[nH+]c(C)n12 ZINC000248020619 569316115 /nfs/dbraw/zinc/31/61/15/569316115.db2.gz RGJZCXUBKOPPDW-HOTGVXAUSA-N 1 2 424.592 1.838 40 0 HDABLO CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)[C@H]3C1=O ZINC000248156407 569316587 /nfs/dbraw/zinc/31/65/87/569316587.db2.gz VVUJSWBUJRRBQJ-JNSBCPHESA-N 1 2 410.449 1.567 40 0 HDABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)C3CCOCC3)CC[N@@H+]21 ZINC000253400277 291192033 /nfs/dbraw/zinc/19/20/33/291192033.db2.gz KZGRZKZLNVRXOH-FQEVSTJZSA-N 1 2 414.550 1.930 40 0 biogenic,in-vitro HDABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)C3CCOCC3)CC[N@H+]21 ZINC000253400277 291192035 /nfs/dbraw/zinc/19/20/35/291192035.db2.gz KZGRZKZLNVRXOH-FQEVSTJZSA-N 1 2 414.550 1.930 40 0 biogenic,in-vitro HDABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccc(F)cc3)C2)C(=O)N1Cc1ccccc1 ZINC000225381900 291201543 /nfs/dbraw/zinc/20/15/43/291201543.db2.gz DVJUPVUXQABVLE-UXHICEINSA-N 1 2 409.461 1.384 40 0 biogenic,in-vitro HDABLO CCN(CC(=O)NCCCn1cc[nH+]c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930348 520332037 /nfs/dbraw/zinc/33/20/37/520332037.db2.gz YPRHUIXIBFHTCN-UHFFFAOYSA-N 1 2 414.915 1.762 40 0 HDABLO COc1cccc(-c2c3c(ccn(CC[NH+]4CCOCC4)c3=O)nc3nc(C)nn32)c1 ZINC000040398505 525698302 /nfs/dbraw/zinc/69/83/02/525698302.db2.gz PDWUVQSWAGCWME-UHFFFAOYSA-N 1 2 420.473 1.755 40 0 HDABLO Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCCCn1cc[nH+]c1 ZINC000408588730 557494531 /nfs/dbraw/zinc/49/45/31/557494531.db2.gz DSJSLEYGTKNXSY-UHFFFAOYSA-N 1 2 406.508 1.561 40 0 HDABLO COc1cccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)c1 ZINC000022524770 558495463 /nfs/dbraw/zinc/49/54/63/558495463.db2.gz UAELXFZYLDKKPP-UHFFFAOYSA-N 1 2 414.487 1.963 40 0 HDABLO O=C(/C=C/c1ccccc1)N1CC[NH+](CCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)CC1 ZINC000013400496 558531573 /nfs/dbraw/zinc/53/15/73/558531573.db2.gz MNSVLHIUWLCFEO-YQUPRMHHSA-N 1 2 405.498 1.651 40 0 HDABLO CC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000014492200 558655124 /nfs/dbraw/zinc/65/51/24/558655124.db2.gz AKRUNCCTLPSBDG-UHFFFAOYSA-N 1 2 416.503 1.833 40 0 HDABLO C[C@H](Oc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)C(=O)NC1CCCCC1 ZINC000035358135 558790682 /nfs/dbraw/zinc/79/06/82/558790682.db2.gz OBUPQHYHPLVKKY-INIZCTEOSA-N 1 2 409.552 1.839 40 0 HDABLO O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCCCn1cc[nH+]c1 ZINC000016428880 558791048 /nfs/dbraw/zinc/79/10/48/558791048.db2.gz JCKDOVJOCLRPIX-UHFFFAOYSA-N 1 2 406.508 1.689 40 0 HDABLO CCNS(=O)(=O)c1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC000016681774 558799389 /nfs/dbraw/zinc/79/93/89/558799389.db2.gz GYZBYVHLMRFIIU-UHFFFAOYSA-N 1 2 417.531 1.951 40 0 HDABLO O=C1C[C@@H](c2ccccc2)Cc2c1cnc1nc(NCC[NH+]3CCOCC3)[nH]c(=O)c12 ZINC000038829505 558816233 /nfs/dbraw/zinc/81/62/33/558816233.db2.gz UCUGZYNKOFBELN-INIZCTEOSA-N 1 2 419.485 1.975 40 0 HDABLO Cc1csc2c(C3CCN(S(=O)(=O)[C@H]4CCS(=O)(=O)C4)CC3)[nH+]c(C)n12 ZINC000019240577 558859191 /nfs/dbraw/zinc/85/91/91/558859191.db2.gz FMJKLWBZRKXXRA-AWEZNQCLSA-N 1 2 417.578 1.709 40 0 HDABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000019371188 558878953 /nfs/dbraw/zinc/87/89/53/558878953.db2.gz IYBUTCPRFCODRZ-UHFFFAOYSA-N 1 2 402.454 1.985 40 0 HDABLO CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C(=O)NC2CS(=O)(=O)C2)C[C@H]2OCC[C@H]21 ZINC000585108761 559030331 /nfs/dbraw/zinc/03/03/31/559030331.db2.gz ZJYUYPVPYYKLOL-ILZDJORESA-N 1 2 422.547 1.366 40 0 HDABLO CC(C)Oc1ccccc1C[N@H+]1C[C@@H](C(=O)NC2CS(=O)(=O)C2)C[C@H]2OCC[C@H]21 ZINC000585108761 559030332 /nfs/dbraw/zinc/03/03/32/559030332.db2.gz ZJYUYPVPYYKLOL-ILZDJORESA-N 1 2 422.547 1.366 40 0 HDABLO O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000103791933 560734575 /nfs/dbraw/zinc/73/45/75/560734575.db2.gz RCTVNDUYUILEII-MAEOIBBWSA-N 1 2 412.494 1.553 40 0 HDABLO O=C(Nc1ccc(F)cc1)[C@@H]1C=C([O-])NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+]1 ZINC000014606977 560846732 /nfs/dbraw/zinc/84/67/32/560846732.db2.gz YUJYDMYJADHEMA-IBGZPJMESA-N 1 2 409.465 1.827 40 0 HDABLO Cc1cccc2cc(C[N@H+](CCCO)Cc3nnnn3Cc3ccco3)c(=O)[nH]c12 ZINC000057643143 568494262 /nfs/dbraw/zinc/49/42/62/568494262.db2.gz OYSUKMRDDJXSCO-UHFFFAOYSA-N 1 2 408.462 1.849 40 0 HDABLO Cc1cccc2cc(C[N@@H+](CCCO)Cc3nnnn3Cc3ccco3)c(=O)[nH]c12 ZINC000057643143 568494263 /nfs/dbraw/zinc/49/42/63/568494263.db2.gz OYSUKMRDDJXSCO-UHFFFAOYSA-N 1 2 408.462 1.849 40 0 HDABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220436184 568505568 /nfs/dbraw/zinc/50/55/68/568505568.db2.gz ZJRQCYKESRWLHD-GFCCVEGCSA-N 1 2 424.350 1.596 40 0 HDABLO CC[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222508501 568517126 /nfs/dbraw/zinc/51/71/26/568517126.db2.gz MHRNGBDIWASJGA-INIZCTEOSA-N 1 2 421.922 1.472 40 0 HDABLO C[NH+]1CCN(C(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)CC1 ZINC000026113277 568539666 /nfs/dbraw/zinc/53/96/66/568539666.db2.gz LCMOWKVCXQEBJU-FQEVSTJZSA-N 1 2 415.515 1.558 40 0 HDABLO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(Nc3ccc(F)cn3)n2)C1)N1CCOCC1 ZINC000257200231 568776221 /nfs/dbraw/zinc/77/62/21/568776221.db2.gz ACNKNUNARGHDMI-GOSISDBHSA-N 1 2 415.469 1.982 40 0 HDABLO O=C(CC[N@H+]1CCO[C@@H](c2cccc(Nc3ccc(F)cn3)n2)C1)N1CCOCC1 ZINC000257200231 568776223 /nfs/dbraw/zinc/77/62/23/568776223.db2.gz ACNKNUNARGHDMI-GOSISDBHSA-N 1 2 415.469 1.982 40 0 HDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@@H]2O ZINC000257278341 568798112 /nfs/dbraw/zinc/79/81/12/568798112.db2.gz OBVZVLHWTPTUOW-RDJZCZTQSA-N 1 2 401.916 1.139 40 0 HDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@@H]2O ZINC000257278341 568798115 /nfs/dbraw/zinc/79/81/15/568798115.db2.gz OBVZVLHWTPTUOW-RDJZCZTQSA-N 1 2 401.916 1.139 40 0 HDABLO C[N@@H+]1CC[C@H](COCc2ccccn2)CC12CN(S(=O)(=O)c1cccnc1)C2 ZINC000306131270 568893508 /nfs/dbraw/zinc/89/35/08/568893508.db2.gz JZSHUJZKILGCCY-KRWDZBQOSA-N 1 2 402.520 1.778 40 0 HDABLO C[N@H+]1CC[C@H](COCc2ccccn2)CC12CN(S(=O)(=O)c1cccnc1)C2 ZINC000306131270 568893510 /nfs/dbraw/zinc/89/35/10/568893510.db2.gz JZSHUJZKILGCCY-KRWDZBQOSA-N 1 2 402.520 1.778 40 0 HDABLO O=S1(=O)c2cccnc2O[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2N1Cc1ccccn1 ZINC000306134483 568896478 /nfs/dbraw/zinc/89/64/78/568896478.db2.gz NPDFRZXFQITTDF-MSOLQXFVSA-N 1 2 412.471 1.906 40 0 HDABLO O=S1(=O)c2cccnc2O[C@H]2C[N@H+](Cc3ccco3)C[C@H]2N1Cc1ccccn1 ZINC000306134483 568896481 /nfs/dbraw/zinc/89/64/81/568896481.db2.gz NPDFRZXFQITTDF-MSOLQXFVSA-N 1 2 412.471 1.906 40 0 HDABLO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1C(=O)N1CCCCC1 ZINC000008018673 569338853 /nfs/dbraw/zinc/33/88/53/569338853.db2.gz IQAYUADWNMZYAQ-UHFFFAOYSA-N 1 2 406.508 1.886 40 0 HDABLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)NCc1ccccc1 ZINC000008476232 569341390 /nfs/dbraw/zinc/34/13/90/569341390.db2.gz IDPUXYSKTFKRQH-UHFFFAOYSA-N 1 2 403.504 1.561 40 0 HDABLO COCCNC(=O)C[N@@H+]1CCCC[C@H]1c1nc(C)ncc1C(=O)N1CCCCC1 ZINC000019752074 569348741 /nfs/dbraw/zinc/34/87/41/569348741.db2.gz HWQJZNDQOQDTFY-SFHVURJKSA-N 1 2 403.527 1.701 40 0 HDABLO COCCNC(=O)C[N@H+]1CCCC[C@H]1c1nc(C)ncc1C(=O)N1CCCCC1 ZINC000019752074 569348742 /nfs/dbraw/zinc/34/87/42/569348742.db2.gz HWQJZNDQOQDTFY-SFHVURJKSA-N 1 2 403.527 1.701 40 0 HDABLO Cc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1C(=O)N1CCCCC1 ZINC000038280061 569351761 /nfs/dbraw/zinc/35/17/61/569351761.db2.gz TWRQBZIBBJUDMT-UHFFFAOYSA-N 1 2 409.552 1.622 40 0 HDABLO NC(=O)C1CCN(c2ccc(-c3noc([C@@H]4CCCN4Cc4[nH]cc[nH+]4)n3)cn2)CC1 ZINC000035425361 132801946 /nfs/dbraw/zinc/80/19/46/132801946.db2.gz DGFZAIFUVYBCAU-INIZCTEOSA-N 1 2 422.493 1.894 40 0 biogenic,in-vitro HDABLO COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2[nH+]c(N3CCOCC3)nc(N)c21 ZINC000020800055 523841188 /nfs/dbraw/zinc/84/11/88/523841188.db2.gz DKHPMMMZZSIYGN-LBPRGKRZSA-N 1 2 412.450 1.277 40 0 HDABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2 ZINC000019819891 558290147 /nfs/dbraw/zinc/29/01/47/558290147.db2.gz AXNGJXDJKDRYGJ-GFCCVEGCSA-N 1 2 410.434 1.842 40 0 HDABLO O=C(/C=C/c1ccccc1)N1CC[NH+](CCN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)CC1 ZINC000033838024 558771628 /nfs/dbraw/zinc/77/16/28/558771628.db2.gz MNSVLHIUWLCFEO-FZOUMYROSA-N 1 2 405.498 1.651 40 0 HDABLO CCN(CC(=O)NCC[NH+]1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039986051 558823671 /nfs/dbraw/zinc/82/36/71/558823671.db2.gz FEGXYWZIAQTSNH-UHFFFAOYSA-N 1 2 424.350 1.452 40 0 HDABLO CNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000018214227 558833846 /nfs/dbraw/zinc/83/38/46/558833846.db2.gz XRCDWOJXOOPASA-UHFFFAOYSA-N 1 2 403.504 1.357 40 0 HDABLO O=C1C[C@H](c2cc(=O)[nH]c(NCC[NH+]3CCOCC3)n2)CN1c1ccc(F)cc1 ZINC000019335287 558869635 /nfs/dbraw/zinc/86/96/35/558869635.db2.gz CGOXMZZKRHWYDC-AWEZNQCLSA-N 1 2 401.442 1.174 40 0 HDABLO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000019456219 558892148 /nfs/dbraw/zinc/89/21/48/558892148.db2.gz WXBGNPRQUYMVEN-HNNXBMFYSA-N 1 2 415.490 1.407 40 0 HDABLO CCn1cc(C[NH+]2CCN(C(=O)[C@H](C)N3c4ccccc4O[C@@H](C)C3=O)CC2)cn1 ZINC000019524947 558906243 /nfs/dbraw/zinc/90/62/43/558906243.db2.gz ZTKDMWJLPSDWJA-IRXDYDNUSA-N 1 2 411.506 1.750 40 0 HDABLO Cc1ccc(S(=O)(=O)N2Cc3c[nH+]cn3[C@@H](C(=O)NCc3ccco3)C2)cc1 ZINC000585096094 559023466 /nfs/dbraw/zinc/02/34/66/559023466.db2.gz QNJHIMHCICZWQM-GOSISDBHSA-N 1 2 400.460 1.847 40 0 HDABLO CCn1cc(C[N@@H+]2CCO[C@]3(CO[C@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)cn1 ZINC000585102240 559026050 /nfs/dbraw/zinc/02/60/50/559026050.db2.gz UFPPYMVICLJVNX-FPOVZHCZSA-N 1 2 420.460 1.858 40 0 HDABLO CCn1cc(C[N@H+]2CCO[C@]3(CO[C@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)cn1 ZINC000585102240 559026052 /nfs/dbraw/zinc/02/60/52/559026052.db2.gz UFPPYMVICLJVNX-FPOVZHCZSA-N 1 2 420.460 1.858 40 0 HDABLO O=C(NCc1ccncc1)c1cn(-c2[nH+]c(CN3CCOCC3)c3ccccn32)cn1 ZINC000096155548 559099743 /nfs/dbraw/zinc/09/97/43/559099743.db2.gz FQGLGOVBWXICJC-UHFFFAOYSA-N 1 2 417.473 1.677 40 0 HDABLO CS(=O)(=O)Nc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccncc3)n2)ccn1 ZINC000035425582 560080972 /nfs/dbraw/zinc/08/09/72/560080972.db2.gz ZIJAPMIPUKKPHO-HNNXBMFYSA-N 1 2 400.464 2.235 40 0 biogenic,in-vitro HDABLO CS(=O)(=O)Nc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccncc3)n2)ccn1 ZINC000035425582 560080973 /nfs/dbraw/zinc/08/09/73/560080973.db2.gz ZIJAPMIPUKKPHO-HNNXBMFYSA-N 1 2 400.464 2.235 40 0 biogenic,in-vitro HDABLO CCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000019824631 560875981 /nfs/dbraw/zinc/87/59/81/560875981.db2.gz MVINOAOYQWOHQU-UHFFFAOYSA-N 1 2 404.536 1.565 40 0 HDABLO CNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000019941009 560877170 /nfs/dbraw/zinc/87/71/70/560877170.db2.gz QPKCBCQNEFNELA-UHFFFAOYSA-N 1 2 420.535 1.184 40 0 HDABLO COCCn1nnnc1[C@H](C)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057674905 568493763 /nfs/dbraw/zinc/49/37/63/568493763.db2.gz GWOGNAOVYUOAEO-HNNXBMFYSA-N 1 2 400.483 1.415 40 0 HDABLO COCCn1nnnc1[C@H](C)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057674905 568493765 /nfs/dbraw/zinc/49/37/65/568493765.db2.gz GWOGNAOVYUOAEO-HNNXBMFYSA-N 1 2 400.483 1.415 40 0 HDABLO CC1(C)C(=O)NCCN1C(=O)CCC(=O)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000257216863 568781065 /nfs/dbraw/zinc/78/10/65/568781065.db2.gz CWKDJWDNIDRUBK-KRWDZBQOSA-N 1 2 424.505 1.448 40 0 HDABLO CN(C)c1ccc(N2CCC(C)(C(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)nn1 ZINC000257230358 568784977 /nfs/dbraw/zinc/78/49/77/568784977.db2.gz GBYFJCVOFRMMIW-UHFFFAOYSA-N 1 2 409.538 1.893 40 0 HDABLO O=C(Cc1cccnc1)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCOCC1 ZINC000257234463 568785845 /nfs/dbraw/zinc/78/58/45/568785845.db2.gz GTPROZODOYSHRL-WKDRNLAYSA-N 1 2 415.465 1.161 40 0 HDABLO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CN(S(=O)(=O)N(C)C)CCO3)c2)n1 ZINC000257288424 568801042 /nfs/dbraw/zinc/80/10/42/568801042.db2.gz PUDBAUABDHFDQC-QGZVFWFLSA-N 1 2 406.512 1.720 40 0 HDABLO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CN(S(=O)(=O)N(C)C)CCO3)c2)n1 ZINC000257288423 568801128 /nfs/dbraw/zinc/80/11/28/568801128.db2.gz PUDBAUABDHFDQC-KRWDZBQOSA-N 1 2 406.512 1.720 40 0 HDABLO Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](n2ccc3cc(C(N)=O)ccc32)C1 ZINC000257293847 568802693 /nfs/dbraw/zinc/80/26/93/568802693.db2.gz QRKNOBFSMSKNIL-NHCUHLMSSA-N 1 2 417.469 1.843 40 0 HDABLO O=C(Cc1ccncc1)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCOCC1 ZINC000257341949 568816579 /nfs/dbraw/zinc/81/65/79/568816579.db2.gz ZMNSBYKHXNPQTG-WKDRNLAYSA-N 1 2 415.465 1.161 40 0 HDABLO CCNC(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1ccnc(N3CCOCC3)c1)CCO2 ZINC000306129537 568892141 /nfs/dbraw/zinc/89/21/41/568892141.db2.gz IGNKNYGXORJREN-DENIHFKCSA-N 1 2 417.554 1.751 40 0 HDABLO CCNC(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1ccnc(N3CCOCC3)c1)CCO2 ZINC000306129537 568892142 /nfs/dbraw/zinc/89/21/42/568892142.db2.gz IGNKNYGXORJREN-DENIHFKCSA-N 1 2 417.554 1.751 40 0 HDABLO Cn1c[nH+]c([C@H]2CN(C(=O)c3ccnn3C)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306142125 568903711 /nfs/dbraw/zinc/90/37/11/568903711.db2.gz WQHGIWIZKMFLMU-VGOFRKELSA-N 1 2 419.489 1.207 40 0 HDABLO Cn1ccc(C(=O)N2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccc(F)cc4)n23)n1 ZINC000306144551 568905918 /nfs/dbraw/zinc/90/59/18/568905918.db2.gz ZIJVCXBWULCNAO-UHFFFAOYSA-N 1 2 409.469 1.895 40 0 HDABLO Cn1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4ccc(F)cc4)n23)n1 ZINC000306144551 568905920 /nfs/dbraw/zinc/90/59/20/568905920.db2.gz ZIJVCXBWULCNAO-UHFFFAOYSA-N 1 2 409.469 1.895 40 0 HDABLO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(N)=O)cc1 ZINC000101621258 569014348 /nfs/dbraw/zinc/01/43/48/569014348.db2.gz CDAIJJBBUPFJTH-WTGUMLROSA-N 1 2 401.422 1.890 40 0 HDABLO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(N)=O)cc1 ZINC000101621258 569014349 /nfs/dbraw/zinc/01/43/49/569014349.db2.gz CDAIJJBBUPFJTH-WTGUMLROSA-N 1 2 401.422 1.890 40 0 HDABLO O=C(N[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cccc(F)c1)C(Cl)(Cl)Cl ZINC000575421887 569026040 /nfs/dbraw/zinc/02/60/40/569026040.db2.gz SPYWMNHQTAKZCK-MNOVXSKESA-N 1 2 403.690 1.567 40 0 HDABLO COc1ccc([C@H](CNC(=S)NC[C@@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575425069 569026862 /nfs/dbraw/zinc/02/68/62/569026862.db2.gz XKUXFEBWPOFBDK-YJBOKZPZSA-N 1 2 411.593 1.731 40 0 HDABLO Cc1csc2c([C@@H]3CCCN(C(=O)CN(C)[C@H]4CCS(=O)(=O)C4)C3)[nH+]c(C)n12 ZINC000248020616 569316133 /nfs/dbraw/zinc/31/61/33/569316133.db2.gz RGJZCXUBKOPPDW-CVEARBPZSA-N 1 2 424.592 1.838 40 0 HDABLO O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccccc1C[NH2+]CC2=O)N1CC[C@@H](O)C1 ZINC000077267298 571313338 /nfs/dbraw/zinc/31/33/38/571313338.db2.gz BYAKHTKUQAHMTP-YSIASYRMSA-N 1 2 415.534 1.397 40 0 HDABLO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCCn2c(=O)c3ccccc3nc21 ZINC000001643143 132247428 /nfs/dbraw/zinc/24/74/28/132247428.db2.gz FSARVCXQIQFJBV-UHFFFAOYSA-N 1 2 404.474 1.350 40 0 HDABLO COC(=O)c1ccc(Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cc1 ZINC000004329677 536791205 /nfs/dbraw/zinc/79/12/05/536791205.db2.gz MEKQXIPUIGCXPS-UHFFFAOYSA-N 1 2 400.439 1.075 40 0 HDABLO Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCCCn1cc[nH+]c1 ZINC000408588473 557491398 /nfs/dbraw/zinc/49/13/98/557491398.db2.gz CVTMCXFFBOCBSP-UHFFFAOYSA-N 1 2 420.535 1.951 40 0 HDABLO CN(c1ccccc1C(=O)NCC[NH+]1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000408621494 557546473 /nfs/dbraw/zinc/54/64/73/557546473.db2.gz SGWNVTIZZMAWDS-UHFFFAOYSA-N 1 2 403.504 1.574 40 0 HDABLO COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000408702028 557725409 /nfs/dbraw/zinc/72/54/09/557725409.db2.gz JRAAZBXQETUUQB-UHFFFAOYSA-N 1 2 406.508 1.886 40 0 HDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)CC1 ZINC000408705736 557731530 /nfs/dbraw/zinc/73/15/30/557731530.db2.gz MKEYPMWVMXZDBL-UHFFFAOYSA-N 1 2 409.552 1.894 40 0 HDABLO COc1ccc([C@@H]2CC(=O)c3cnc(N4CC[NH+](CCO)CC4)nc3C2)c(OC)c1 ZINC000020478110 558374766 /nfs/dbraw/zinc/37/47/66/558374766.db2.gz WGGURWZIRXGDQB-HNNXBMFYSA-N 1 2 412.490 1.521 40 0 HDABLO CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2[nH+]c(N3CCOCC3)nc(N)c21 ZINC000020674131 558399030 /nfs/dbraw/zinc/39/90/30/558399030.db2.gz BSAQNIFWFXWTGY-GFCCVEGCSA-N 1 2 412.450 1.359 40 0 HDABLO COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000016740346 558803266 /nfs/dbraw/zinc/80/32/66/558803266.db2.gz QOFDGWGOEYTEOP-UHFFFAOYSA-N 1 2 419.503 1.892 40 0 HDABLO CN(C)c1ncc(C[NH+]2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)cn1 ZINC000019291355 558863826 /nfs/dbraw/zinc/86/38/26/558863826.db2.gz UADYHYROLPAJPG-HXUWFJFHSA-N 1 2 407.522 1.680 40 0 HDABLO CS(=O)(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ncccn4)CC3)ccc21 ZINC000019572508 558930627 /nfs/dbraw/zinc/93/06/27/558930627.db2.gz UXEBXWOCOCMBOQ-IBGZPJMESA-N 1 2 417.535 1.044 40 0 HDABLO Cc1cnn(CC(=O)N2CCC(c3ccc(C(=O)N4CC[NH+](C)CC4)cn3)CC2)c1 ZINC000019705839 558968325 /nfs/dbraw/zinc/96/83/25/558968325.db2.gz XYLBHIJJZQXRJD-UHFFFAOYSA-N 1 2 410.522 1.380 40 0 HDABLO CS(=O)(=O)N1CCC[C@@H](c2ccc(C(=O)NCCNc3cccc[nH+]3)cn2)C1 ZINC000019706038 558968662 /nfs/dbraw/zinc/96/86/62/558968662.db2.gz XZMMTULALKOKQB-MRXNPFEDSA-N 1 2 403.508 1.458 40 0 HDABLO CNc1nc([C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)nc2c1C[N@H+](C)CC2 ZINC000019710527 558972650 /nfs/dbraw/zinc/97/26/50/558972650.db2.gz XZTJRTJHSVJALC-AWEZNQCLSA-N 1 2 420.539 1.679 40 0 HDABLO CNc1nc([C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710527 558972652 /nfs/dbraw/zinc/97/26/52/558972652.db2.gz XZTJRTJHSVJALC-AWEZNQCLSA-N 1 2 420.539 1.679 40 0 HDABLO CCn1cc(C[N@@H+]2CCO[C@@]3(CO[C@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)cn1 ZINC000585102241 559025977 /nfs/dbraw/zinc/02/59/77/559025977.db2.gz UFPPYMVICLJVNX-PZJWPPBQSA-N 1 2 420.460 1.858 40 0 HDABLO CCn1cc(C[N@H+]2CCO[C@@]3(CO[C@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)cn1 ZINC000585102241 559025980 /nfs/dbraw/zinc/02/59/80/559025980.db2.gz UFPPYMVICLJVNX-PZJWPPBQSA-N 1 2 420.460 1.858 40 0 HDABLO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@H+]4CCN(C)C(=O)C4)C3)CC2)cc1 ZINC000585103066 559026431 /nfs/dbraw/zinc/02/64/31/559026431.db2.gz BWPVGUKNFBUKFZ-HXUWFJFHSA-N 1 2 415.534 1.546 40 0 HDABLO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCN(C)C(=O)C4)C3)CC2)cc1 ZINC000585103066 559026433 /nfs/dbraw/zinc/02/64/33/559026433.db2.gz BWPVGUKNFBUKFZ-HXUWFJFHSA-N 1 2 415.534 1.546 40 0 HDABLO CCOC(=O)CNC(=O)CSc1nnc(CCc2[nH]c3ccccc3[nH+]2)n1C ZINC000002074539 560584444 /nfs/dbraw/zinc/58/44/44/560584444.db2.gz SNAWRIZHYQWUIM-UHFFFAOYSA-N 1 2 402.480 1.248 40 0 HDABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCCC1)OCO3 ZINC000008582663 560637592 /nfs/dbraw/zinc/63/75/92/560637592.db2.gz FZMLUBURPQWWJO-LIRRHRJNSA-N 1 2 424.461 1.608 40 0 HDABLO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)NC)cc2c1 ZINC000019824448 560875971 /nfs/dbraw/zinc/87/59/71/560875971.db2.gz XSIGVWZGSKNWBA-UHFFFAOYSA-N 1 2 404.536 1.565 40 0 HDABLO COc1ccc(OC)c([C@H](c2nnnn2C(C)(C)C)[NH+]2CCC(C(N)=O)CC2)c1 ZINC000057669800 568494419 /nfs/dbraw/zinc/49/44/19/568494419.db2.gz SHLKTIMJQOYLLD-QGZVFWFLSA-N 1 2 402.499 1.732 40 0 HDABLO CC[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220737878 568508937 /nfs/dbraw/zinc/50/89/37/568508937.db2.gz SLIMJUUMJYURQR-KRWDZBQOSA-N 1 2 417.959 1.641 40 0 HDABLO CCn1ccc(C(=O)N2CCC[C@@H](CC(=O)N3CC[NH+](Cc4ccccn4)CC3)C2)n1 ZINC000257227533 568784090 /nfs/dbraw/zinc/78/40/90/568784090.db2.gz FPUJBAUALRINNS-IBGZPJMESA-N 1 2 424.549 1.885 40 0 HDABLO CC(=O)Nc1ccc2nc(NC(=O)C[N@@H+]3CC[C@H](O)[C@]4(CCCO4)C3)sc2c1 ZINC000257229360 568784674 /nfs/dbraw/zinc/78/46/74/568784674.db2.gz FXTXTXSBCDKXSR-LPHOPBHVSA-N 1 2 404.492 1.809 40 0 HDABLO CC(=O)Nc1ccc2nc(NC(=O)C[N@H+]3CC[C@H](O)[C@]4(CCCO4)C3)sc2c1 ZINC000257229360 568784676 /nfs/dbraw/zinc/78/46/76/568784676.db2.gz FXTXTXSBCDKXSR-LPHOPBHVSA-N 1 2 404.492 1.809 40 0 HDABLO Cn1c(=O)c2ccc([C@@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)nc2n(C)c1=O ZINC000257320499 568810533 /nfs/dbraw/zinc/81/05/33/568810533.db2.gz VXCHXUSWESSFFJ-FQEVSTJZSA-N 1 2 417.469 1.754 40 0 HDABLO Cn1c(=O)c2ccc([C@@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)nc2n(C)c1=O ZINC000257320499 568810535 /nfs/dbraw/zinc/81/05/35/568810535.db2.gz VXCHXUSWESSFFJ-FQEVSTJZSA-N 1 2 417.469 1.754 40 0 HDABLO CC(C)n1c[nH+]c([C@@H]2CN(S(=O)(=O)N(C)C)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306144818 568906333 /nfs/dbraw/zinc/90/63/33/568906333.db2.gz ZPHYPYHDWCWKCT-LPHOPBHVSA-N 1 2 409.556 1.298 40 0 HDABLO COc1ccc([C@@H](CNC(=S)N[C@@]2(C)CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575420483 569025997 /nfs/dbraw/zinc/02/59/97/569025997.db2.gz CCQMUMNXXNIPPC-MJGOQNOKSA-N 1 2 411.593 1.873 40 0 HDABLO O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cccc(F)c1)C(Cl)(Cl)Cl ZINC000575421890 569026095 /nfs/dbraw/zinc/02/60/95/569026095.db2.gz SPYWMNHQTAKZCK-WDEREUQCSA-N 1 2 403.690 1.567 40 0 HDABLO C[NH+](C)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000575425631 569026891 /nfs/dbraw/zinc/02/68/91/569026891.db2.gz VDBORGYEVMKHLB-LLVKDONJSA-N 1 2 415.364 1.733 40 0 HDABLO CCN1C(=O)[C@@H]2[C@H](c3ccc(O)cc3)[NH2+][C@@](Cc3ccc(O)cc3)(C(=O)OC)[C@H]2C1=O ZINC000245230525 569313845 /nfs/dbraw/zinc/31/38/45/569313845.db2.gz TYLZOQAXNXQEBE-QPXQOZNCSA-N 1 2 424.453 1.518 40 0 HDABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2=O)C1 ZINC000250706753 569316991 /nfs/dbraw/zinc/31/69/91/569316991.db2.gz WNCNBJCXNFPBIT-ZFWWWQNUSA-N 1 2 420.462 1.619 40 0 HDABLO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2=O)C1 ZINC000250706753 569316992 /nfs/dbraw/zinc/31/69/92/569316992.db2.gz WNCNBJCXNFPBIT-ZFWWWQNUSA-N 1 2 420.462 1.619 40 0 HDABLO CCNC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCC[NH+]2CCOCC2)C[C@H]1C(C)C ZINC000030879960 291192563 /nfs/dbraw/zinc/19/25/63/291192563.db2.gz DYIWRCWZEIQZFQ-UFYCRDLUSA-N 1 2 408.587 1.999 40 0 biogenic,in-vitro HDABLO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3cccs3)C[N@@H+]21)N1CCCCC1 ZINC000015708509 291200498 /nfs/dbraw/zinc/20/04/98/291200498.db2.gz AWRPMRKPLVEHDG-XHSDSOJGSA-N 1 2 404.536 1.212 40 0 biogenic,in-vitro HDABLO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3cccs3)C[N@H+]21)N1CCCCC1 ZINC000015708509 291200503 /nfs/dbraw/zinc/20/05/03/291200503.db2.gz AWRPMRKPLVEHDG-XHSDSOJGSA-N 1 2 404.536 1.212 40 0 biogenic,in-vitro HDABLO O=S(=O)(Cc1noc([C@@H]2C[C@@H](O)CN2Cc2[nH]cc[nH+]2)n1)c1ccc(F)cc1 ZINC000015674001 291201825 /nfs/dbraw/zinc/20/18/25/291201825.db2.gz NHKRCXHCILOYNJ-OCCSQVGLSA-N 1 2 407.427 1.214 40 0 biogenic,in-vitro HDABLO COCCn1nnnc1[C@@H](C(C)C)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020140176 522155060 /nfs/dbraw/zinc/15/50/60/522155060.db2.gz HCYFCKGVMFAUTM-LJQANCHMSA-N 1 2 402.499 1.563 40 0 HDABLO Nc1nc(N2CCOCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccccc1Cl)CC(=O)N2 ZINC000020800024 527556821 /nfs/dbraw/zinc/55/68/21/527556821.db2.gz VCBYATUJWZWNHT-JTQLQIEISA-N 1 2 402.842 1.613 40 0 HDABLO CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408604203 557525138 /nfs/dbraw/zinc/52/51/38/557525138.db2.gz LKCKPPAQRVLBLG-KRWDZBQOSA-N 1 2 417.531 1.706 40 0 HDABLO CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCn2cc[nH+]c2)cc1Cl ZINC000408612113 557530170 /nfs/dbraw/zinc/53/01/70/557530170.db2.gz YLVDFWCJDHVVLW-ZDUSSCGKSA-N 1 2 414.915 1.809 40 0 HDABLO CCn1c(SCC(C)=O)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036056731 557827262 /nfs/dbraw/zinc/82/72/62/557827262.db2.gz BJXHFYFGTOYMQE-UHFFFAOYSA-N 1 2 423.564 1.582 40 0 HDABLO COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000014467674 558655114 /nfs/dbraw/zinc/65/51/14/558655114.db2.gz HSJLDUZKBJBTOV-UHFFFAOYSA-N 1 2 417.487 1.662 40 0 HDABLO CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000030847327 558739360 /nfs/dbraw/zinc/73/93/60/558739360.db2.gz AGKVIVIFLJGNHZ-CLOLKSBNSA-N 1 2 420.579 1.362 40 0 HDABLO C[C@@H](Oc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)C(=O)NC1CCCCC1 ZINC000035358138 558790643 /nfs/dbraw/zinc/79/06/43/558790643.db2.gz OBUPQHYHPLVKKY-MRXNPFEDSA-N 1 2 409.552 1.839 40 0 HDABLO Cc1cc(-c2cnc(N3CC[NH+](CC(=O)NC(C)C)CC3)nc2[C@H]2CCCO2)on1 ZINC000019122631 558843883 /nfs/dbraw/zinc/84/38/83/558843883.db2.gz XBTKAIILWVZFPO-QGZVFWFLSA-N 1 2 414.510 1.938 40 0 HDABLO O=c1[nH]c(-c2cccnc2)nc2c1C[N@H+](Cc1ccnc(N3CCOCC3)n1)CC2 ZINC000019341210 558871788 /nfs/dbraw/zinc/87/17/88/558871788.db2.gz AXZAIWNOQLRAQA-UHFFFAOYSA-N 1 2 405.462 1.017 40 0 HDABLO O=c1[nH]c(-c2cccnc2)nc2c1C[N@@H+](Cc1ccnc(N3CCOCC3)n1)CC2 ZINC000019341210 558871791 /nfs/dbraw/zinc/87/17/91/558871791.db2.gz AXZAIWNOQLRAQA-UHFFFAOYSA-N 1 2 405.462 1.017 40 0 HDABLO CC(C)[N@@H+]1CCc2nc3cc([C@H]4CCCN(S(=O)(=O)N(C)C)C4)[nH]n3c(=O)c2C1 ZINC000019448103 558886707 /nfs/dbraw/zinc/88/67/07/558886707.db2.gz BWWPLPVZRPSPSU-AWEZNQCLSA-N 1 2 422.555 1.187 40 0 HDABLO CC(C)[N@H+]1CCc2nc3cc([C@H]4CCCN(S(=O)(=O)N(C)C)C4)[nH]n3c(=O)c2C1 ZINC000019448103 558886708 /nfs/dbraw/zinc/88/67/08/558886708.db2.gz BWWPLPVZRPSPSU-AWEZNQCLSA-N 1 2 422.555 1.187 40 0 HDABLO CCc1nc(N2CCN(CC(=O)N3CCC[C@@H](c4csnn4)C3)CC2)cc(C)[nH+]1 ZINC000019523148 558904246 /nfs/dbraw/zinc/90/42/46/558904246.db2.gz FLUHRGTWDUACSU-MRXNPFEDSA-N 1 2 415.567 1.727 40 0 HDABLO CCn1cc(C[NH+]2CCN(C(=O)[C@@H](C)N3c4ccccc4O[C@@H](C)C3=O)CC2)cn1 ZINC000019524946 558906235 /nfs/dbraw/zinc/90/62/35/558906235.db2.gz ZTKDMWJLPSDWJA-SJORKVTESA-N 1 2 411.506 1.750 40 0 HDABLO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](O)c3ccc4c(c3)CCO4)CC2)cc1 ZINC000019557080 558919272 /nfs/dbraw/zinc/91/92/72/558919272.db2.gz WDQQSCWCBBTXQI-HXUWFJFHSA-N 1 2 418.515 1.670 40 0 HDABLO C[C@H](CC(=O)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1)n1cc[nH+]c1 ZINC000072338861 558938426 /nfs/dbraw/zinc/93/84/26/558938426.db2.gz JUWBCGNYRPFIRT-KUHUBIRLSA-N 1 2 403.508 1.803 40 0 HDABLO Cc1nn(C)cc1C(=O)N1CCC(c2ccc(C(=O)N3CC[NH+](C)CC3)cn2)CC1 ZINC000019705763 558968082 /nfs/dbraw/zinc/96/80/82/558968082.db2.gz XNWWYLAFZRCFCD-UHFFFAOYSA-N 1 2 410.522 1.531 40 0 HDABLO COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(C(=O)N3CC[NH+](C)CC3)cn2)cn1 ZINC000019708760 558971185 /nfs/dbraw/zinc/97/11/85/558971185.db2.gz BNTAAJFKNNSKNP-LJQANCHMSA-N 1 2 409.490 1.850 40 0 HDABLO Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000019708749 558971245 /nfs/dbraw/zinc/97/12/45/558971245.db2.gz ITJZUXRWPQCRSE-FQEVSTJZSA-N 1 2 411.506 1.980 40 0 HDABLO Cc1ccc(S(=O)(=O)N2Cc3c[nH+]cn3[C@@H](C(=O)NCc3cccnc3)C2)cc1 ZINC000585096041 559023381 /nfs/dbraw/zinc/02/33/81/559023381.db2.gz OJGSYHLCBVYFFG-LJQANCHMSA-N 1 2 411.487 1.649 40 0 HDABLO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCN(C)C(=O)C4)C3)CC2)c1 ZINC000585105105 559027439 /nfs/dbraw/zinc/02/74/39/559027439.db2.gz YDTBSQUSLXFXQE-QGZVFWFLSA-N 1 2 401.507 1.486 40 0 HDABLO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCN(C)C(=O)C4)C3)CC2)c1 ZINC000585105105 559027442 /nfs/dbraw/zinc/02/74/42/559027442.db2.gz YDTBSQUSLXFXQE-QGZVFWFLSA-N 1 2 401.507 1.486 40 0 HDABLO CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+](Cc2nccs2)CC3)C1=O ZINC000096036532 559090267 /nfs/dbraw/zinc/09/02/67/559090267.db2.gz QFFPJBYSLWBLPW-SFHVURJKSA-N 1 2 412.581 1.239 40 0 HDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)Cc1cccs1)CC2 ZINC000096083907 559095031 /nfs/dbraw/zinc/09/50/31/559095031.db2.gz PYCXWOZANPTFDR-UHFFFAOYSA-N 1 2 401.536 1.611 40 0 HDABLO O=C(NCC[NH+]1CCOCC1)c1nc(-c2cn(C[C@H]3CCCO3)cn2)n2ccccc12 ZINC000096155154 559099383 /nfs/dbraw/zinc/09/93/83/559099383.db2.gz KTIFTFDNTBPGBS-QGZVFWFLSA-N 1 2 424.505 1.439 40 0 HDABLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000096230225 559102810 /nfs/dbraw/zinc/10/28/10/559102810.db2.gz PDDRZBNCXQQJTB-UHFFFAOYSA-N 1 2 417.506 1.981 40 0 HDABLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000096230225 559102812 /nfs/dbraw/zinc/10/28/12/559102812.db2.gz PDDRZBNCXQQJTB-UHFFFAOYSA-N 1 2 417.506 1.981 40 0 HDABLO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccncc3)c2)CC1 ZINC000096265832 559107664 /nfs/dbraw/zinc/10/76/64/559107664.db2.gz NRMAFZJZNQZUMG-UHFFFAOYSA-N 1 2 408.911 1.601 40 0 HDABLO NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000585282849 559120328 /nfs/dbraw/zinc/12/03/28/559120328.db2.gz BECGESAZSLSUBY-IBGZPJMESA-N 1 2 406.870 1.479 40 0 HDABLO C[C@]1(COc2cccnc2)C[C@@H]2CN(C(=O)/C=C/C[NH+]3CCOCC3)CC[C@@H]2O1 ZINC000585291970 559124498 /nfs/dbraw/zinc/12/44/98/559124498.db2.gz ULDNRHGDNNVCRT-HICMSKAJSA-N 1 2 401.507 1.745 40 0 HDABLO COCCn1nnnc1[C@@H](c1ccc(C)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000020140279 560881305 /nfs/dbraw/zinc/88/13/05/560881305.db2.gz SGZWMAXCKXWASX-OAQYLSRUSA-N 1 2 407.522 1.930 40 0 HDABLO COCCn1nnnc1[C@H](C(C)C)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020140179 560881340 /nfs/dbraw/zinc/88/13/40/560881340.db2.gz HCYFCKGVMFAUTM-IBGZPJMESA-N 1 2 402.499 1.563 40 0 HDABLO COc1ccc(OC)c([C@@H](c2nnnn2C(C)(C)C)[NH+]2CCC(C(N)=O)CC2)c1 ZINC000057669804 568494578 /nfs/dbraw/zinc/49/45/78/568494578.db2.gz SHLKTIMJQOYLLD-KRWDZBQOSA-N 1 2 402.499 1.732 40 0 HDABLO Cc1cc2[nH+]cn(CC3CCN(C(=O)Cc4c(C)[nH]c(=O)[nH]c4=O)CC3)c2cc1C ZINC000223810630 568559630 /nfs/dbraw/zinc/55/96/30/568559630.db2.gz LVAMLPSCRRIMNZ-UHFFFAOYSA-N 1 2 409.490 1.819 40 0 HDABLO FC(F)(F)c1cc(N2CCCC2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225905431 568684681 /nfs/dbraw/zinc/68/46/81/568684681.db2.gz PZMRSIZANUNAGY-UHFFFAOYSA-N 1 2 404.462 1.714 40 0 HDABLO CN(C(=O)c1csc(-c2ccccc2)n1)[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257216056 568780776 /nfs/dbraw/zinc/78/07/76/568780776.db2.gz CSXSXNAMHWHXPR-JFIYKMOQSA-N 1 2 400.504 1.206 40 0 HDABLO CN(C(=O)c1csc(-c2ccccc2)n1)[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257216056 568780777 /nfs/dbraw/zinc/78/07/77/568780777.db2.gz CSXSXNAMHWHXPR-JFIYKMOQSA-N 1 2 400.504 1.206 40 0 HDABLO O=C1CO[C@H]2C[N@H+](Cc3ccnc(N4CCCC4)n3)C[C@@H]2N1CCc1ccccc1 ZINC000257231166 568785129 /nfs/dbraw/zinc/78/51/29/568785129.db2.gz GFPGYWPLMYNCME-SFTDATJTSA-N 1 2 407.518 1.731 40 0 HDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccnc(N4CCCC4)n3)C[C@@H]2N1CCc1ccccc1 ZINC000257231166 568785130 /nfs/dbraw/zinc/78/51/30/568785130.db2.gz GFPGYWPLMYNCME-SFTDATJTSA-N 1 2 407.518 1.731 40 0 HDABLO Cn1c(=O)oc2ccc(C(=O)N3CCC[C@@H](CC(=O)NCCn4cc[nH+]c4)C3)cc21 ZINC000257240822 568787752 /nfs/dbraw/zinc/78/77/52/568787752.db2.gz HVIHCRSDUVKUEH-HNNXBMFYSA-N 1 2 411.462 1.387 40 0 HDABLO Cc1n[nH]c(C)c1CNC(=O)[C@]1(C)CCCN(C(=O)C[N@@H+](C)Cc2cccnc2)C1 ZINC000257261235 568793045 /nfs/dbraw/zinc/79/30/45/568793045.db2.gz LGHNPCVJDKPHBM-JOCHJYFZSA-N 1 2 412.538 1.798 40 0 HDABLO Cc1n[nH]c(C)c1CNC(=O)[C@]1(C)CCCN(C(=O)C[N@H+](C)Cc2cccnc2)C1 ZINC000257261235 568793047 /nfs/dbraw/zinc/79/30/47/568793047.db2.gz LGHNPCVJDKPHBM-JOCHJYFZSA-N 1 2 412.538 1.798 40 0 HDABLO CC(C)n1cnc2cc(C(=O)N(C)[C@@H]3CCC[C@@H]([N@@H+]4CCNC(=O)C4)[C@@H]3O)ccc21 ZINC000257320606 568810748 /nfs/dbraw/zinc/81/07/48/568810748.db2.gz VXOAHKDZGSAMCG-SFHLNBCPSA-N 1 2 413.522 1.403 40 0 HDABLO CC(C)n1cnc2cc(C(=O)N(C)[C@@H]3CCC[C@@H]([N@H+]4CCNC(=O)C4)[C@@H]3O)ccc21 ZINC000257320606 568810749 /nfs/dbraw/zinc/81/07/49/568810749.db2.gz VXOAHKDZGSAMCG-SFHLNBCPSA-N 1 2 413.522 1.403 40 0 HDABLO CC(=O)N1C[C@]2(CCN(S(C)(=O)=O)C2)[C@H]2[C@H]1CCC[N@@H+]2Cc1csc(C)n1 ZINC000306132562 568894919 /nfs/dbraw/zinc/89/49/19/568894919.db2.gz LMLOEFQUNVLSNJ-KZNAEPCWSA-N 1 2 412.581 1.298 40 0 HDABLO CC(=O)N1C[C@]2(CCN(S(C)(=O)=O)C2)[C@H]2[C@H]1CCC[N@H+]2Cc1csc(C)n1 ZINC000306132562 568894920 /nfs/dbraw/zinc/89/49/20/568894920.db2.gz LMLOEFQUNVLSNJ-KZNAEPCWSA-N 1 2 412.581 1.298 40 0 HDABLO Cn1c[nH+]cc1CNc1ncc2c(n1)[C@]1(CCN(C(=O)C3CC(F)(F)C3)C1)COC2 ZINC000306139552 568901276 /nfs/dbraw/zinc/90/12/76/568901276.db2.gz TTWRLQBEEVHQFO-IBGZPJMESA-N 1 2 418.448 1.868 40 0 HDABLO O=C(NCCc1c[nH+]c[nH]1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000101548124 569014129 /nfs/dbraw/zinc/01/41/29/569014129.db2.gz YXCMWNYFKIHXJT-GASCZTMLSA-N 1 2 408.499 1.992 40 0 HDABLO O=C(NCCc1c[nH]c[nH+]1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000101548124 569014130 /nfs/dbraw/zinc/01/41/30/569014130.db2.gz YXCMWNYFKIHXJT-GASCZTMLSA-N 1 2 408.499 1.992 40 0 HDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)CC1 ZINC000026117662 569349987 /nfs/dbraw/zinc/34/99/87/569349987.db2.gz JUHWHNQZMNDHAR-UHFFFAOYSA-N 1 2 413.565 1.207 40 0 HDABLO COC(=O)[C@@H]1Cc2[nH+]cn(C)c2CN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000015676557 291194600 /nfs/dbraw/zinc/19/46/00/291194600.db2.gz HWKYOAXYPARRTR-ZDUSSCGKSA-N 1 2 403.382 1.728 40 0 biogenic,in-vitro HDABLO Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1S(=O)(=O)Nc1ccccc1 ZINC000408619325 557536546 /nfs/dbraw/zinc/53/65/46/557536546.db2.gz LRJDEEVHWPLGMH-UHFFFAOYSA-N 1 2 403.504 1.858 40 0 HDABLO COCCn1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000004537575 557564754 /nfs/dbraw/zinc/56/47/54/557564754.db2.gz JCPJIJPXBMOMBP-IBGZPJMESA-N 1 2 412.494 1.991 40 0 HDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1 ZINC000036048063 557827310 /nfs/dbraw/zinc/82/73/10/557827310.db2.gz QLKAAQPWJAYWEM-UHFFFAOYSA-N 1 2 415.581 1.624 40 0 HDABLO COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1OC ZINC000026786636 558665387 /nfs/dbraw/zinc/66/53/87/558665387.db2.gz AYAOUEOJGTUDLF-UHFFFAOYSA-N 1 2 419.503 1.892 40 0 HDABLO CCn1c2ccc(S(=O)(=O)NCC3([NH+]4CCOCC4)CCCCC3)cc2oc1=O ZINC000019524266 558905553 /nfs/dbraw/zinc/90/55/53/558905553.db2.gz ZHGRUAWWBFVGHO-UHFFFAOYSA-N 1 2 423.535 1.928 40 0 HDABLO CS(=O)(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4cnccn4)CC3)ccc21 ZINC000019572506 558930648 /nfs/dbraw/zinc/93/06/48/558930648.db2.gz XJTZHQYHVQYXOT-LJQANCHMSA-N 1 2 417.535 1.044 40 0 HDABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1ccnc(N3CCSCC3)n1)C2 ZINC000072336813 558937371 /nfs/dbraw/zinc/93/73/71/558937371.db2.gz HACSAOOLMLBMAX-UHFFFAOYSA-N 1 2 421.530 1.733 40 0 HDABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1ccnc(N3CCSCC3)n1)C2 ZINC000072336813 558937373 /nfs/dbraw/zinc/93/73/73/558937373.db2.gz HACSAOOLMLBMAX-UHFFFAOYSA-N 1 2 421.530 1.733 40 0 HDABLO COc1ccc(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)c(OC)c1 ZINC000072347242 558943859 /nfs/dbraw/zinc/94/38/59/558943859.db2.gz HGMXCAOEUFYHJO-GASCZTMLSA-N 1 2 414.506 1.959 40 0 HDABLO COc1ccc(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)c(OC)c1 ZINC000072347242 558943860 /nfs/dbraw/zinc/94/38/60/558943860.db2.gz HGMXCAOEUFYHJO-GASCZTMLSA-N 1 2 414.506 1.959 40 0 HDABLO CCn1cc(C[N@@H+]2CCO[C@@]3(CO[C@@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)cn1 ZINC000585102242 559026041 /nfs/dbraw/zinc/02/60/41/559026041.db2.gz UFPPYMVICLJVNX-TZIWHRDSSA-N 1 2 420.460 1.858 40 0 HDABLO CCn1cc(C[N@H+]2CCO[C@@]3(CO[C@@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)cn1 ZINC000585102242 559026044 /nfs/dbraw/zinc/02/60/44/559026044.db2.gz UFPPYMVICLJVNX-TZIWHRDSSA-N 1 2 420.460 1.858 40 0 HDABLO C[N@@H+]1CCO[C@H](CNC(=O)c2nc3c(o2)CCN(Cc2cc(F)ccc2F)C3)C1 ZINC000585111731 559030677 /nfs/dbraw/zinc/03/06/77/559030677.db2.gz GYUYGXMEYVCBOZ-OAHLLOKOSA-N 1 2 406.433 1.572 40 0 HDABLO C[N@H+]1CCO[C@H](CNC(=O)c2nc3c(o2)CCN(Cc2cc(F)ccc2F)C3)C1 ZINC000585111731 559030679 /nfs/dbraw/zinc/03/06/79/559030679.db2.gz GYUYGXMEYVCBOZ-OAHLLOKOSA-N 1 2 406.433 1.572 40 0 HDABLO CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CC[NH+](Cc2nccs2)CC3)C1=O ZINC000096036574 559090431 /nfs/dbraw/zinc/09/04/31/559090431.db2.gz WWUOWTXLHSOECS-FQEVSTJZSA-N 1 2 405.568 1.961 40 0 HDABLO CCCS(=O)(=O)N1CCC2(CC1)C(=O)N(c1cnn(C)c1)CC[N@H+]2CC1CC1 ZINC000096230345 559102877 /nfs/dbraw/zinc/10/28/77/559102877.db2.gz FAVFAUUJZAAALQ-UHFFFAOYSA-N 1 2 409.556 1.053 40 0 HDABLO CCCS(=O)(=O)N1CCC2(CC1)C(=O)N(c1cnn(C)c1)CC[N@@H+]2CC1CC1 ZINC000096230345 559102878 /nfs/dbraw/zinc/10/28/78/559102878.db2.gz FAVFAUUJZAAALQ-UHFFFAOYSA-N 1 2 409.556 1.053 40 0 HDABLO O=C(c1ccco1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251477 559105436 /nfs/dbraw/zinc/10/54/36/559105436.db2.gz HBOUTYAWXSIDEX-MBSDFSHPSA-N 1 2 424.501 1.892 40 0 HDABLO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCOCC1)c1cccc(F)c1 ZINC000585262282 559110735 /nfs/dbraw/zinc/11/07/35/559110735.db2.gz ANYZNNYGBDNRAJ-CGXNFDGLSA-N 1 2 400.450 1.837 40 0 HDABLO COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[NH+]2CCOCC2)cc1 ZINC000585262386 559110897 /nfs/dbraw/zinc/11/08/97/559110897.db2.gz JJJNCUYBDBNQCW-CZYKHXBRSA-N 1 2 412.486 1.707 40 0 HDABLO CC[NH+]1CCN([C@@H](c2nnnn2CS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1 ZINC000019528108 560874822 /nfs/dbraw/zinc/87/48/22/560874822.db2.gz YMZDFIHYFIBVSM-GOSISDBHSA-N 1 2 406.556 1.748 40 0 HDABLO CN(c1ccc(C(=O)NCC[NH+]2CCOCC2)cc1)S(=O)(=O)c1cccs1 ZINC000218797589 568483771 /nfs/dbraw/zinc/48/37/71/568483771.db2.gz DXBGKAYVVQFGML-UHFFFAOYSA-N 1 2 409.533 1.635 40 0 HDABLO COc1ccc(Cn2nnnc2C[NH+]2CCC(Nc3nc(C)c(C)c(=O)[nH]3)CC2)cc1 ZINC000057721238 568496115 /nfs/dbraw/zinc/49/61/15/568496115.db2.gz NOZCWSDVKIPLFT-UHFFFAOYSA-N 1 2 424.509 1.507 40 0 HDABLO C[NH+](C)CCNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000223159499 568539705 /nfs/dbraw/zinc/53/97/05/568539705.db2.gz KSCGPKFVFAGNIB-UHFFFAOYSA-N 1 2 424.335 1.937 40 0 HDABLO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3ccn[nH]3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257231584 568785297 /nfs/dbraw/zinc/78/52/97/568785297.db2.gz GHJCNIRDRBLHGA-PXNSSMCTSA-N 1 2 411.506 1.484 40 0 HDABLO CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@](C)(O)[C@H](n2ccc(=O)[nH]c2=O)C1 ZINC000257272494 568796381 /nfs/dbraw/zinc/79/63/81/568796381.db2.gz NCPRDCWXKLYEDX-IIBYNOLFSA-N 1 2 411.462 1.086 40 0 HDABLO O=C(C[C@@H]1CCCN(C(=O)c2ccnc(N3CCCC3)c2)C1)NCCn1cc[nH+]c1 ZINC000257318242 568809783 /nfs/dbraw/zinc/80/97/83/568809783.db2.gz VNBHAELRHMRBJV-SFHVURJKSA-N 1 2 410.522 1.937 40 0 HDABLO O=C(CCCc1nc2ccc(Cl)cc2[nH]1)N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257339311 568815857 /nfs/dbraw/zinc/81/58/57/568815857.db2.gz ZBFCXYIEIGQZGW-WRWLIDTKSA-N 1 2 406.914 1.879 40 0 HDABLO COc1ncccc1C[NH+]1CCN(c2nccn3c(-c4cnn(C)c4)cnc23)CC1 ZINC000306141964 568903472 /nfs/dbraw/zinc/90/34/72/568903472.db2.gz WLISSFCZNIAXGM-UHFFFAOYSA-N 1 2 404.478 1.856 40 0 HDABLO COc1ccc([C@@H](CNC(=S)NC[C@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575425066 569026815 /nfs/dbraw/zinc/02/68/15/569026815.db2.gz XKUXFEBWPOFBDK-CRAIPNDOSA-N 1 2 411.593 1.731 40 0 HDABLO Cc1nn2c(nccc2[C@H]2CN(C(=O)c3cccnc3)CCO2)c1C[NH+]1CCOCC1 ZINC000019707725 569348002 /nfs/dbraw/zinc/34/80/02/569348002.db2.gz BIDRPQINJNBBIA-HXUWFJFHSA-N 1 2 422.489 1.479 40 0 HDABLO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)cc1 ZINC000029699722 569350316 /nfs/dbraw/zinc/35/03/16/569350316.db2.gz JCZLMHSGHVUELV-UHFFFAOYSA-N 1 2 417.531 1.882 40 0 HDABLO CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)N1CC[NH+](C)CC1 ZINC000197884071 569355487 /nfs/dbraw/zinc/35/54/87/569355487.db2.gz BZGHGDQNPVEXJX-UHFFFAOYSA-N 1 2 416.551 1.403 40 0 HDABLO C[N@H+](Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)c2ccco2)nn1)Cc1ccccc1 ZINC000005399094 291193439 /nfs/dbraw/zinc/19/34/39/291193439.db2.gz SOPDPKZSRGWLIQ-FMWKFLBASA-N 1 2 423.473 1.640 40 0 biogenic,in-vitro HDABLO C[N@@H+](Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)c2ccco2)nn1)Cc1ccccc1 ZINC000005399094 291193442 /nfs/dbraw/zinc/19/34/42/291193442.db2.gz SOPDPKZSRGWLIQ-FMWKFLBASA-N 1 2 423.473 1.640 40 0 biogenic,in-vitro HDABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3cccc(F)c3)C2)C(=O)N1Cc1ccccc1 ZINC000225386138 291201823 /nfs/dbraw/zinc/20/18/23/291201823.db2.gz HEDZGTFUDVQADL-UXHICEINSA-N 1 2 409.461 1.384 40 0 biogenic,in-vitro HDABLO CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1ccccc1Br ZINC000408608612 557531901 /nfs/dbraw/zinc/53/19/01/557531901.db2.gz OFSKQTDGHJMHGH-UHFFFAOYSA-N 1 2 415.313 1.618 40 0 HDABLO O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCC[NH+]1CCOCC1 ZINC000408613894 557537933 /nfs/dbraw/zinc/53/79/33/557537933.db2.gz YIYBACRRYDPLSW-UHFFFAOYSA-N 1 2 421.494 1.469 40 0 HDABLO COc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)cc1 ZINC000020048663 558328041 /nfs/dbraw/zinc/32/80/41/558328041.db2.gz VOCPKUHWNTZHFO-UHFFFAOYSA-N 1 2 414.487 1.963 40 0 HDABLO CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)Oc2ccccc21 ZINC000020105376 558333316 /nfs/dbraw/zinc/33/33/16/558333316.db2.gz YJGNYTNSWZIZDQ-IBGZPJMESA-N 1 2 412.471 1.716 40 0 HDABLO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC[NH+]3CCOCC3)c2)cc1 ZINC000023155543 558539593 /nfs/dbraw/zinc/53/95/93/558539593.db2.gz GJVICVRYJBWAOS-UHFFFAOYSA-N 1 2 403.504 1.858 40 0 HDABLO COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000014788508 558672790 /nfs/dbraw/zinc/67/27/90/558672790.db2.gz MNZTYDFWXDKGKU-UHFFFAOYSA-N 1 2 417.487 1.662 40 0 HDABLO CN(C)S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000030847331 558739342 /nfs/dbraw/zinc/73/93/42/558739342.db2.gz AGKVIVIFLJGNHZ-FXVWLTTGSA-N 1 2 420.579 1.362 40 0 HDABLO CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)Oc2ccccc21 ZINC000030871303 558743384 /nfs/dbraw/zinc/74/33/84/558743384.db2.gz KANMVDOBGRGVNQ-IBGZPJMESA-N 1 2 412.471 1.716 40 0 HDABLO CCS(=O)(=O)N1CC[NH+](Cc2cn(CC(=O)N3CCCC3)c3ccccc23)CC1 ZINC000036741479 558802245 /nfs/dbraw/zinc/80/22/45/558802245.db2.gz BVLGBJXSOLVQLS-UHFFFAOYSA-N 1 2 418.563 1.731 40 0 HDABLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cn(CC(=O)NC(C)C)c2ccccc12 ZINC000036741496 558802270 /nfs/dbraw/zinc/80/22/70/558802270.db2.gz UHTGGBPEDFVEND-SFHVURJKSA-N 1 2 400.479 1.029 40 0 HDABLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cn(CC(=O)NC(C)C)c2ccccc12 ZINC000036741496 558802272 /nfs/dbraw/zinc/80/22/72/558802272.db2.gz UHTGGBPEDFVEND-SFHVURJKSA-N 1 2 400.479 1.029 40 0 HDABLO O=C1C[C@H](c2ccccc2)Cc2c1cnc1nc(NCC[NH+]3CCOCC3)[nH]c(=O)c12 ZINC000038829502 558816247 /nfs/dbraw/zinc/81/62/47/558816247.db2.gz UCUGZYNKOFBELN-MRXNPFEDSA-N 1 2 419.485 1.975 40 0 HDABLO O=C(C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1)NCCCc1nc2ccc(F)cc2[nH]1 ZINC000019346123 558873383 /nfs/dbraw/zinc/87/33/83/558873383.db2.gz GWPQJVRPMOODOZ-SFHVURJKSA-N 1 2 401.486 1.884 40 0 HDABLO O=C(C[C@H]1C(=O)NCC[N@H+]1C1CCCC1)NCCCc1nc2ccc(F)cc2[nH]1 ZINC000019346123 558873384 /nfs/dbraw/zinc/87/33/84/558873384.db2.gz GWPQJVRPMOODOZ-SFHVURJKSA-N 1 2 401.486 1.884 40 0 HDABLO CS(=O)(=O)N1CCc2c(=O)[nH]c([C@H]3CCC[N@@H+]3Cc3ccccc3F)nc2C1 ZINC000019572995 558931318 /nfs/dbraw/zinc/93/13/18/558931318.db2.gz LJPYWRFLOYLFSQ-QGZVFWFLSA-N 1 2 406.483 1.976 40 0 HDABLO CS(=O)(=O)N1CCc2c(=O)[nH]c([C@H]3CCC[N@H+]3Cc3ccccc3F)nc2C1 ZINC000019572995 558931319 /nfs/dbraw/zinc/93/13/19/558931319.db2.gz LJPYWRFLOYLFSQ-QGZVFWFLSA-N 1 2 406.483 1.976 40 0 HDABLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1c(C)n(CC(=O)NC2CC2)c2ccccc12 ZINC000019581897 558937123 /nfs/dbraw/zinc/93/71/23/558937123.db2.gz DAVXZOITZJHLAJ-IBGZPJMESA-N 1 2 412.490 1.092 40 0 HDABLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1c(C)n(CC(=O)NC2CC2)c2ccccc12 ZINC000019581897 558937124 /nfs/dbraw/zinc/93/71/24/558937124.db2.gz DAVXZOITZJHLAJ-IBGZPJMESA-N 1 2 412.490 1.092 40 0 HDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(N4C[C@@H](C)O[C@@H](C)C4)nc3C2)cc1CO ZINC000072347283 558944239 /nfs/dbraw/zinc/94/42/39/558944239.db2.gz CHKVKIQUPYAFCR-GASCZTMLSA-N 1 2 414.506 1.855 40 0 HDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(N4C[C@@H](C)O[C@@H](C)C4)nc3C2)cc1CO ZINC000072347283 558944241 /nfs/dbraw/zinc/94/42/41/558944241.db2.gz CHKVKIQUPYAFCR-GASCZTMLSA-N 1 2 414.506 1.855 40 0 HDABLO Cc1nnsc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000019708163 558970374 /nfs/dbraw/zinc/97/03/74/558970374.db2.gz FIYOCFOVSHKBFA-MRXNPFEDSA-N 1 2 400.508 1.606 40 0 HDABLO Cc1ncncc1C(=O)N1CCC(c2ccc(C(=O)N3CC[NH+](C)CC3)cn2)CC1 ZINC000019708340 558970547 /nfs/dbraw/zinc/97/05/47/558970547.db2.gz PIFQLDBIGSFMQZ-UHFFFAOYSA-N 1 2 408.506 1.587 40 0 HDABLO C[NH+]1CCN(C(=O)c2ccc(C3CCN(C(=O)C[C@@H]4CCCO4)CC3)nc2)CC1 ZINC000019708309 558970571 /nfs/dbraw/zinc/97/05/71/558970571.db2.gz REMWROGKSURRCI-IBGZPJMESA-N 1 2 400.523 1.744 40 0 HDABLO CN(C)c1nc([C@@H]2CCCCN2C(=O)CN2CCCC2=O)nc2c1C[N@H+](C)CC2 ZINC000019710250 558972238 /nfs/dbraw/zinc/97/22/38/558972238.db2.gz ZBQGLNUBQRHSRT-KRWDZBQOSA-N 1 2 400.527 1.207 40 0 HDABLO CN(C)c1nc([C@@H]2CCCCN2C(=O)CN2CCCC2=O)nc2c1C[N@@H+](C)CC2 ZINC000019710250 558972242 /nfs/dbraw/zinc/97/22/42/558972242.db2.gz ZBQGLNUBQRHSRT-KRWDZBQOSA-N 1 2 400.527 1.207 40 0 HDABLO COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cn1 ZINC000019719093 558982912 /nfs/dbraw/zinc/98/29/12/558982912.db2.gz SBNXJZHHESFPJV-UHFFFAOYSA-N 1 2 404.492 1.587 40 0 HDABLO Cc1nc(C)c(C[N@@H+]2CCO[C@]3(CO[C@@H](C(=O)NCc4ncc(C)cn4)C3)C2)s1 ZINC000585102157 559025412 /nfs/dbraw/zinc/02/54/12/559025412.db2.gz DDCUHJFJYJUYQV-UZLBHIALSA-N 1 2 417.535 1.535 40 0 HDABLO Cc1nc(C)c(C[N@H+]2CCO[C@]3(CO[C@@H](C(=O)NCc4ncc(C)cn4)C3)C2)s1 ZINC000585102157 559025413 /nfs/dbraw/zinc/02/54/13/559025413.db2.gz DDCUHJFJYJUYQV-UZLBHIALSA-N 1 2 417.535 1.535 40 0 HDABLO Cc1cc(C(=O)N2CCc3oc(C(=O)NC[C@H]4C[N@H+](C)CCO4)nc3C2)ccc1F ZINC000585112046 559030707 /nfs/dbraw/zinc/03/07/07/559030707.db2.gz KLVKZMOIGAMJLS-HNNXBMFYSA-N 1 2 416.453 1.381 40 0 HDABLO Cc1cc(C(=O)N2CCc3oc(C(=O)NC[C@H]4C[N@@H+](C)CCO4)nc3C2)ccc1F ZINC000585112046 559030708 /nfs/dbraw/zinc/03/07/08/559030708.db2.gz KLVKZMOIGAMJLS-HNNXBMFYSA-N 1 2 416.453 1.381 40 0 HDABLO CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000095883186 559088768 /nfs/dbraw/zinc/08/87/68/559088768.db2.gz BRPOJDIKCJVRRZ-LJQANCHMSA-N 1 2 423.579 1.586 40 0 HDABLO Cn1cnc(S(=O)(=O)N2CCc3[nH+]c(N4CCCC4)nc(NC4CC4)c3C2)c1 ZINC000096254120 559105687 /nfs/dbraw/zinc/10/56/87/559105687.db2.gz OUXKIPOMLMDOOP-UHFFFAOYSA-N 1 2 403.512 1.132 40 0 HDABLO CC(=O)N1CCC2(CC(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)=NO2)CC1 ZINC000096268152 559108398 /nfs/dbraw/zinc/10/83/98/559108398.db2.gz AIWULRPKGXSGCQ-UHFFFAOYSA-N 1 2 400.479 1.615 40 0 HDABLO CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000113958834 559183598 /nfs/dbraw/zinc/18/35/98/559183598.db2.gz FLXZCPRRHDKDRX-UHFFFAOYSA-N 1 2 417.531 1.951 40 0 HDABLO CS(=O)(=O)Nc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccn3)n2)ccn1 ZINC000035425576 560080935 /nfs/dbraw/zinc/08/09/35/560080935.db2.gz PJPSUQOHAGMHCX-HNNXBMFYSA-N 1 2 400.464 2.235 40 0 biogenic,in-vitro HDABLO CS(=O)(=O)Nc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccn3)n2)ccn1 ZINC000035425576 560080937 /nfs/dbraw/zinc/08/09/37/560080937.db2.gz PJPSUQOHAGMHCX-HNNXBMFYSA-N 1 2 400.464 2.235 40 0 biogenic,in-vitro HDABLO CNC(=O)[C@H]1COC2(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)C[N@@H+]1CC1CC1 ZINC000575406044 560547435 /nfs/dbraw/zinc/54/74/35/560547435.db2.gz WWYXAQZVPQQKET-RQJZOYDLSA-N 1 2 401.551 1.641 40 0 HDABLO CNC(=O)[C@H]1COC2(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)C[N@H+]1CC1CC1 ZINC000575406044 560547437 /nfs/dbraw/zinc/54/74/37/560547437.db2.gz WWYXAQZVPQQKET-RQJZOYDLSA-N 1 2 401.551 1.641 40 0 HDABLO O=C(c1ccc(N2C(=O)c3cncnc3C2=O)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000408975977 560660397 /nfs/dbraw/zinc/66/03/97/560660397.db2.gz OEXALQUKUNORTG-UHFFFAOYSA-N 1 2 414.425 1.635 40 0 HDABLO CCc1cc(=O)[nH]c(NC2CC[NH+](Cc3nnnn3Cc3ccc(OC)cc3)CC2)n1 ZINC000057721333 568496137 /nfs/dbraw/zinc/49/61/37/568496137.db2.gz HLADOXRVYRHWFR-UHFFFAOYSA-N 1 2 424.509 1.452 40 0 HDABLO Cc1n[nH]c(C)c1CNC(=O)[C@@]1(C)CCCN(C(=O)C[N@@H+](C)Cc2cccnc2)C1 ZINC000257261236 568793091 /nfs/dbraw/zinc/79/30/91/568793091.db2.gz LGHNPCVJDKPHBM-QFIPXVFZSA-N 1 2 412.538 1.798 40 0 HDABLO Cc1n[nH]c(C)c1CNC(=O)[C@@]1(C)CCCN(C(=O)C[N@H+](C)Cc2cccnc2)C1 ZINC000257261236 568793093 /nfs/dbraw/zinc/79/30/93/568793093.db2.gz LGHNPCVJDKPHBM-QFIPXVFZSA-N 1 2 412.538 1.798 40 0 HDABLO CN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257281578 568798936 /nfs/dbraw/zinc/79/89/36/568798936.db2.gz OPYMMUDISBUFBA-JXXFODFXSA-N 1 2 417.893 1.996 40 0 HDABLO CN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257281578 568798939 /nfs/dbraw/zinc/79/89/39/568798939.db2.gz OPYMMUDISBUFBA-JXXFODFXSA-N 1 2 417.893 1.996 40 0 HDABLO COc1cccc(C(=O)N2CCOC[C@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)c1OC ZINC000306126481 568889260 /nfs/dbraw/zinc/88/92/60/568889260.db2.gz DXFXUFQYEGGBHR-JTSKRJEESA-N 1 2 420.506 1.426 40 0 HDABLO O=S1(=O)c2cccnc2O[C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]2N1Cc1ccccn1 ZINC000306131286 568893540 /nfs/dbraw/zinc/89/35/40/568893540.db2.gz KABNOXYMXHEHNU-RTBURBONSA-N 1 2 423.498 1.708 40 0 HDABLO O=S1(=O)c2cccnc2O[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]2N1Cc1ccccn1 ZINC000306131286 568893542 /nfs/dbraw/zinc/89/35/42/568893542.db2.gz KABNOXYMXHEHNU-RTBURBONSA-N 1 2 423.498 1.708 40 0 HDABLO O=S1(=O)c2cccnc2O[C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2N1Cc1ccccn1 ZINC000306131284 568893699 /nfs/dbraw/zinc/89/36/99/568893699.db2.gz KABNOXYMXHEHNU-OALUTQOASA-N 1 2 423.498 1.708 40 0 HDABLO O=S1(=O)c2cccnc2O[C@H]2C[N@H+](Cc3ccncc3)C[C@@H]2N1Cc1ccccn1 ZINC000306131284 568893701 /nfs/dbraw/zinc/89/37/01/568893701.db2.gz KABNOXYMXHEHNU-OALUTQOASA-N 1 2 423.498 1.708 40 0 HDABLO CN(C)C(=O)Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000019662865 569345762 /nfs/dbraw/zinc/34/57/62/569345762.db2.gz HJZQPJABYSDFIZ-HXUWFJFHSA-N 1 2 401.532 1.995 40 0 HDABLO CN(C)C(=O)Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000019662865 569345763 /nfs/dbraw/zinc/34/57/63/569345763.db2.gz HJZQPJABYSDFIZ-HXUWFJFHSA-N 1 2 401.532 1.995 40 0 HDABLO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCn3cc[nH+]c3)C2)cc1 ZINC000408591128 557503492 /nfs/dbraw/zinc/50/34/92/557503492.db2.gz IXFGTRUHGJGFLQ-QGZVFWFLSA-N 1 2 420.535 1.889 40 0 HDABLO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCC[NH+]3CCOCC3)C2)c(C)c1 ZINC000408593282 557504280 /nfs/dbraw/zinc/50/42/80/557504280.db2.gz NEZPRYQXUCGLSZ-IBGZPJMESA-N 1 2 423.579 1.461 40 0 HDABLO C[NH+]1CCN(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000022934858 558526011 /nfs/dbraw/zinc/52/60/11/558526011.db2.gz ITTDXVLWNYIGSK-UHFFFAOYSA-N 1 2 416.547 1.855 40 0 HDABLO CN1CC[NH+](CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000022934858 558526014 /nfs/dbraw/zinc/52/60/14/558526014.db2.gz ITTDXVLWNYIGSK-UHFFFAOYSA-N 1 2 416.547 1.855 40 0 HDABLO Cc1ccc([C@@H](CNC(=O)Cn2cnc3sccc3c2=O)[NH+]2CCOCC2)cc1 ZINC000036748782 558802472 /nfs/dbraw/zinc/80/24/72/558802472.db2.gz GGXWDDDRVVDYQR-GOSISDBHSA-N 1 2 412.515 1.956 40 0 HDABLO CC(C)(CN1CCC[C@@H](c2nnsc2S(C)(=O)=O)C1)C[NH+]1CCOCC1 ZINC000019084968 558840958 /nfs/dbraw/zinc/84/09/58/558840958.db2.gz YFJGRIJVRZMGBQ-CQSZACIVSA-N 1 2 402.586 1.479 40 0 HDABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](Cc1ccnc(N3CCOCC3)n1)C2 ZINC000019340117 558871446 /nfs/dbraw/zinc/87/14/46/558871446.db2.gz LTSJKAAXNMQXJO-UHFFFAOYSA-N 1 2 405.462 1.429 40 0 HDABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1ccnc(N3CCOCC3)n1)C2 ZINC000019340117 558871448 /nfs/dbraw/zinc/87/14/48/558871448.db2.gz LTSJKAAXNMQXJO-UHFFFAOYSA-N 1 2 405.462 1.429 40 0 HDABLO O=C1CCc2cc(S(=O)(=O)NCc3ccccc3C[NH+]3CCOCC3)ccc2N1 ZINC000019349560 558875189 /nfs/dbraw/zinc/87/51/89/558875189.db2.gz BPWZMJGFXUCLLR-UHFFFAOYSA-N 1 2 415.515 1.882 40 0 HDABLO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000019523493 558904651 /nfs/dbraw/zinc/90/46/51/558904651.db2.gz YGZHGKDCEMGFQH-CQSZACIVSA-N 1 2 401.492 1.706 40 0 HDABLO CS(=O)(=O)N1CCc2c(=O)[nH]c([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)nc2C1 ZINC000019572986 558931026 /nfs/dbraw/zinc/93/10/26/558931026.db2.gz UFIZHOPSURGILC-KRWDZBQOSA-N 1 2 406.483 1.564 40 0 HDABLO CS(=O)(=O)N1CCc2c(=O)[nH]c([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)nc2C1 ZINC000019572986 558931027 /nfs/dbraw/zinc/93/10/27/558931027.db2.gz UFIZHOPSURGILC-KRWDZBQOSA-N 1 2 406.483 1.564 40 0 HDABLO Cc1cc(C)n(CC(=O)N2CCC(c3ccc(C(=O)N4CC[NH+](C)CC4)cn3)CC2)n1 ZINC000019705766 558968114 /nfs/dbraw/zinc/96/81/14/558968114.db2.gz YAKOACVNSYVLQS-UHFFFAOYSA-N 1 2 424.549 1.689 40 0 HDABLO Cc1ncc(C(=O)N2CCC[C@@H]2c2ccc(C(=O)N3CC[NH+](C)CC3)cn2)c(C)n1 ZINC000019708196 558970384 /nfs/dbraw/zinc/97/03/84/558970384.db2.gz SQXNLSDOKGUBDX-HXUWFJFHSA-N 1 2 408.506 1.853 40 0 HDABLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@]2(CO[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC000585102188 559024689 /nfs/dbraw/zinc/02/46/89/559024689.db2.gz KYJLASQYRGHULG-QAPCUYQASA-N 1 2 412.412 1.681 40 0 HDABLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@]2(CO[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC000585102188 559024690 /nfs/dbraw/zinc/02/46/90/559024690.db2.gz KYJLASQYRGHULG-QAPCUYQASA-N 1 2 412.412 1.681 40 0 HDABLO O=C(NC1CS(=O)(=O)C1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC000585108716 559030154 /nfs/dbraw/zinc/03/01/54/559030154.db2.gz HWATZCMOZNWFBU-GESALYCCSA-N 1 2 421.494 1.200 40 0 HDABLO O=C(NC1CS(=O)(=O)C1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC000585108716 559030155 /nfs/dbraw/zinc/03/01/55/559030155.db2.gz HWATZCMOZNWFBU-GESALYCCSA-N 1 2 421.494 1.200 40 0 HDABLO CN(C)C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251496 559105544 /nfs/dbraw/zinc/10/55/44/559105544.db2.gz KUMCFPFTBDQGEN-UWJYYQICSA-N 1 2 401.511 1.140 40 0 HDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)Cc1ccc(F)cc1)CC2 ZINC000096254905 559105816 /nfs/dbraw/zinc/10/58/16/559105816.db2.gz COTQAMIQCUCRNE-UHFFFAOYSA-N 1 2 413.497 1.688 40 0 HDABLO Cc1ccc(CC(=O)N2CCc3[nH+]c(N4CCOCC4)nc(N(C)C)c3CC2)cc1 ZINC000096254872 559105838 /nfs/dbraw/zinc/10/58/38/559105838.db2.gz UAUFJVSCMNCSHR-UHFFFAOYSA-N 1 2 409.534 1.858 40 0 HDABLO CN1CC[NH+](C[C@@H]2OC[C@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)[C@H]2O)CC1 ZINC000514289019 560033488 /nfs/dbraw/zinc/03/34/88/560033488.db2.gz MBXRUPJOEKKFFJ-HRCADAONSA-N 1 2 418.416 1.082 40 0 biogenic,in-vitro HDABLO Cc1nc(NC2CC[NH+](CC(=O)Nc3ccc4c(c3)OCCO4)CC2)[nH]c(=O)c1C ZINC000005625779 560627939 /nfs/dbraw/zinc/62/79/39/560627939.db2.gz SORKEVBLVMFQLO-UHFFFAOYSA-N 1 2 413.478 1.673 40 0 HDABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCCC1)OCO3 ZINC000008582664 560637561 /nfs/dbraw/zinc/63/75/61/560637561.db2.gz FZMLUBURPQWWJO-IFXJQAMLSA-N 1 2 424.461 1.608 40 0 HDABLO COc1ccc(NC(=O)C[S@](=O)CC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000015935814 560857427 /nfs/dbraw/zinc/85/74/27/560857427.db2.gz WKDPCCUTYLEQKO-MUUNZHRXSA-N 1 2 407.536 1.469 40 0 HDABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000220199374 568503336 /nfs/dbraw/zinc/50/33/36/568503336.db2.gz QKFYNYXHKFZUFK-CYBMUJFWSA-N 1 2 423.457 1.308 40 0 HDABLO COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223134406 568538954 /nfs/dbraw/zinc/53/89/54/568538954.db2.gz QZHRILMNJJSWAE-PMACEKPBSA-N 1 2 415.563 1.834 40 0 HDABLO COc1ccc(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)c(OC)c1 ZINC000225217981 568624069 /nfs/dbraw/zinc/62/40/69/568624069.db2.gz DXRAQZMFTQUXTG-UHFFFAOYSA-N 1 2 402.524 1.602 40 0 HDABLO COc1cc(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)cc(OC)c1 ZINC000225218092 568624092 /nfs/dbraw/zinc/62/40/92/568624092.db2.gz BXHKEXULYKXSPA-UHFFFAOYSA-N 1 2 402.524 1.602 40 0 HDABLO O=C(C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1Oc1ccccc1)N1CCOCC1 ZINC000257205241 568777670 /nfs/dbraw/zinc/77/76/70/568777670.db2.gz AYEKLIHVHWOQPB-ICSRJNTNSA-N 1 2 412.490 1.428 40 0 HDABLO CCN(C(=O)C[N@@H+]1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1)c1cccc(C)c1 ZINC000257252155 568790865 /nfs/dbraw/zinc/79/08/65/568790865.db2.gz JTSZYGIDFSDRCI-ICSRJNTNSA-N 1 2 409.552 1.209 40 0 HDABLO CCN(C(=O)C[N@H+]1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1)c1cccc(C)c1 ZINC000257252155 568790866 /nfs/dbraw/zinc/79/08/66/568790866.db2.gz JTSZYGIDFSDRCI-ICSRJNTNSA-N 1 2 409.552 1.209 40 0 HDABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H](O)[C@@H](n2ccc(=O)[nH]c2=O)CC1 ZINC000257276182 568797454 /nfs/dbraw/zinc/79/74/54/568797454.db2.gz NSQUVPFQOXMTPO-ROUUACIJSA-N 1 2 409.446 1.032 40 0 HDABLO COCCN1C[C@]2(CC[N@H+](Cc3cnn(C)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306130576 568893019 /nfs/dbraw/zinc/89/30/19/568893019.db2.gz JJYIVERKVCAWFE-LJQANCHMSA-N 1 2 406.508 1.094 40 0 HDABLO COCCN1C[C@]2(CC[N@@H+](Cc3cnn(C)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306130576 568893021 /nfs/dbraw/zinc/89/30/21/568893021.db2.gz JJYIVERKVCAWFE-LJQANCHMSA-N 1 2 406.508 1.094 40 0 HDABLO Cn1c[nH+]c([C@H]2CN(C(=O)c3ccn(C)n3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306131896 568894270 /nfs/dbraw/zinc/89/42/70/568894270.db2.gz KSFGFKZVVWDDRL-VGSWGCGISA-N 1 2 419.489 1.207 40 0 HDABLO CC(=O)N1C[C@]2(CCN(S(C)(=O)=O)C2)[C@@H]2[C@@H]1CCC[N@@H+]2Cc1csc(C)n1 ZINC000306132563 568894934 /nfs/dbraw/zinc/89/49/34/568894934.db2.gz LMLOEFQUNVLSNJ-OKZBNKHCSA-N 1 2 412.581 1.298 40 0 HDABLO CC(=O)N1C[C@]2(CCN(S(C)(=O)=O)C2)[C@@H]2[C@@H]1CCC[N@H+]2Cc1csc(C)n1 ZINC000306132563 568894936 /nfs/dbraw/zinc/89/49/36/568894936.db2.gz LMLOEFQUNVLSNJ-OKZBNKHCSA-N 1 2 412.581 1.298 40 0 HDABLO COCCN1CC[C@@]2(CN(C(=O)c3csc(C)n3)C[C@@H]2c2cn(C)c[nH+]2)C1=O ZINC000306136772 568898801 /nfs/dbraw/zinc/89/88/01/568898801.db2.gz QCWABCPADLHJAB-KUHUBIRLSA-N 1 2 403.508 1.290 40 0 HDABLO Cn1nccc1C(=O)N1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3ccc(F)cc3)n12 ZINC000306139785 568901500 /nfs/dbraw/zinc/90/15/00/568901500.db2.gz UAJFPGCFDUBEOB-UHFFFAOYSA-N 1 2 409.469 1.895 40 0 HDABLO Cn1nccc1C(=O)N1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3ccc(F)cc3)n12 ZINC000306139785 568901501 /nfs/dbraw/zinc/90/15/01/568901501.db2.gz UAJFPGCFDUBEOB-UHFFFAOYSA-N 1 2 409.469 1.895 40 0 HDABLO CC(C)n1c[nH+]c([C@H]2CN(S(=O)(=O)N(C)C)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306144820 568906313 /nfs/dbraw/zinc/90/63/13/568906313.db2.gz ZPHYPYHDWCWKCT-VQIMIIECSA-N 1 2 409.556 1.298 40 0 HDABLO COc1ccc([C@H](CNC(=S)NC[C@H]2CCS(=O)(=O)C2)[NH+]2CCCC2)cc1 ZINC000575425068 569026864 /nfs/dbraw/zinc/02/68/64/569026864.db2.gz XKUXFEBWPOFBDK-QAPCUYQASA-N 1 2 411.593 1.731 40 0 HDABLO COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](C)CC2=O ZINC000253399498 569365366 /nfs/dbraw/zinc/36/53/66/569365366.db2.gz JNBDOUSGHLEMDC-VRUGXOBWSA-N 1 2 415.534 1.684 40 0 HDABLO COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](C)CC2=O ZINC000253399498 569365367 /nfs/dbraw/zinc/36/53/67/569365367.db2.gz JNBDOUSGHLEMDC-VRUGXOBWSA-N 1 2 415.534 1.684 40 0 HDABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@H+](Cc1ccnc(N3CCOCC3)n1)CC2 ZINC000012122622 132354546 /nfs/dbraw/zinc/35/45/46/132354546.db2.gz BAPZDHCDAWIYSQ-UHFFFAOYSA-N 1 2 405.462 1.429 40 0 HDABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@@H+](Cc1ccnc(N3CCOCC3)n1)CC2 ZINC000012122622 132354548 /nfs/dbraw/zinc/35/45/48/132354548.db2.gz BAPZDHCDAWIYSQ-UHFFFAOYSA-N 1 2 405.462 1.429 40 0 HDABLO CCOc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1S(=O)(=O)N1CCCC1 ZINC000408699001 557716183 /nfs/dbraw/zinc/71/61/83/557716183.db2.gz UDEZIRRPXQPBPI-UHFFFAOYSA-N 1 2 406.508 1.886 40 0 HDABLO CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)[C@@H]3C1=O ZINC000036748642 557852170 /nfs/dbraw/zinc/85/21/70/557852170.db2.gz VVUJSWBUJRRBQJ-KHMJWOOKSA-N 1 2 410.449 1.567 40 0 HDABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@H](C(=O)Nc1ccc3c(c1)OCCO3)CC(=O)N2 ZINC000019819895 558290075 /nfs/dbraw/zinc/29/00/75/558290075.db2.gz PLCSLKGMRHPPBX-CYBMUJFWSA-N 1 2 424.461 1.885 40 0 HDABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2 ZINC000019819893 558290205 /nfs/dbraw/zinc/29/02/05/558290205.db2.gz AXNGJXDJKDRYGJ-LBPRGKRZSA-N 1 2 410.434 1.842 40 0 HDABLO CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@](Cc1ccc(O)cc1)(C(=O)OC)[NH2+][C@@H]2c1cccs1 ZINC000020150540 558340629 /nfs/dbraw/zinc/34/06/29/558340629.db2.gz OVMFQWRYXSAZGP-KYFSNAEOSA-N 1 2 414.483 1.874 40 0 HDABLO Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)cc1Cl ZINC000020635772 558395968 /nfs/dbraw/zinc/39/59/68/558395968.db2.gz CCQXUANWGYQANT-LBPRGKRZSA-N 1 2 416.869 1.922 40 0 HDABLO CNS(=O)(=O)c1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC000027049422 558669058 /nfs/dbraw/zinc/66/90/58/558669058.db2.gz ZCTIVSKCYGZRGK-UHFFFAOYSA-N 1 2 403.504 1.561 40 0 HDABLO COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1OC ZINC000015012373 558700681 /nfs/dbraw/zinc/70/06/81/558700681.db2.gz BSZVNDKXJOEUIF-UHFFFAOYSA-N 1 2 419.503 1.892 40 0 HDABLO CN(CC(=O)NCC[NH+]1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000016187836 558776374 /nfs/dbraw/zinc/77/63/74/558776374.db2.gz BXUSNXNJBHIDPL-UHFFFAOYSA-N 1 2 410.323 1.062 40 0 HDABLO Nc1ccc(C(=O)OCCN2CC[NH+](CCOC(=O)c3ccc(N)cc3)CC2)cc1 ZINC000019359241 558876136 /nfs/dbraw/zinc/87/61/36/558876136.db2.gz RFIIULBLGFNXQT-UHFFFAOYSA-N 1 2 412.490 1.482 40 0 HDABLO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(O)cc1)[NH2+][C@@]2(Cc1ccc(O)cc1)C(=O)OC ZINC000019526822 558907933 /nfs/dbraw/zinc/90/79/33/558907933.db2.gz TYLZOQAXNXQEBE-PABYOWBDSA-N 1 2 424.453 1.518 40 0 HDABLO COc1cccc(C[N@@H+]2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)c1 ZINC000019565195 558925223 /nfs/dbraw/zinc/92/52/23/558925223.db2.gz KQBCEDHBNAHWMV-SFHVURJKSA-N 1 2 418.519 1.846 40 0 HDABLO COc1cccc(C[N@H+]2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)c1 ZINC000019565195 558925226 /nfs/dbraw/zinc/92/52/26/558925226.db2.gz KQBCEDHBNAHWMV-SFHVURJKSA-N 1 2 418.519 1.846 40 0 HDABLO Cc1c2ccc(NC(=O)N3CCOCC3)cc2oc(=O)c1CC[NH+]1CCOCC1 ZINC000072266844 558932739 /nfs/dbraw/zinc/93/27/39/558932739.db2.gz BVXGJMKPMTXSFM-UHFFFAOYSA-N 1 2 401.463 1.840 40 0 in-man HDABLO CN1CC[NH+](CC(C)(C)CNC(=O)[C@@H]2[C@@H]3C(=O)Nc4ccccc4C(=O)[C@]23C)CC1 ZINC000019576191 558932744 /nfs/dbraw/zinc/93/27/44/558932744.db2.gz ZGXLLZCZEVILQJ-YZZKKUAISA-N 1 2 412.534 1.464 40 0 HDABLO C[N@@H+]1CCc2nc(NC(=O)COc3ccc(CN4CCOCC4)cc3)sc2C1 ZINC000019660166 558951438 /nfs/dbraw/zinc/95/14/38/558951438.db2.gz ZZGYLCVOYUMEEO-UHFFFAOYSA-N 1 2 402.520 1.981 40 0 HDABLO C[N@H+]1CCc2nc(NC(=O)COc3ccc(CN4CCOCC4)cc3)sc2C1 ZINC000019660166 558951441 /nfs/dbraw/zinc/95/14/41/558951441.db2.gz ZZGYLCVOYUMEEO-UHFFFAOYSA-N 1 2 402.520 1.981 40 0 HDABLO CCn1cc(C[N@@H+]2CCO[C@]3(CO[C@@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)cn1 ZINC000585102236 559026067 /nfs/dbraw/zinc/02/60/67/559026067.db2.gz UFPPYMVICLJVNX-CTNGQTDRSA-N 1 2 420.460 1.858 40 0 HDABLO CCn1cc(C[N@H+]2CCO[C@]3(CO[C@@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)cn1 ZINC000585102236 559026069 /nfs/dbraw/zinc/02/60/69/559026069.db2.gz UFPPYMVICLJVNX-CTNGQTDRSA-N 1 2 420.460 1.858 40 0 HDABLO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[N@H+]4CCN(C)C(=O)C4)C3)CC2)cc1 ZINC000585103064 559026353 /nfs/dbraw/zinc/02/63/53/559026353.db2.gz BWPVGUKNFBUKFZ-FQEVSTJZSA-N 1 2 415.534 1.546 40 0 HDABLO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[N@@H+]4CCN(C)C(=O)C4)C3)CC2)cc1 ZINC000585103064 559026355 /nfs/dbraw/zinc/02/63/55/559026355.db2.gz BWPVGUKNFBUKFZ-FQEVSTJZSA-N 1 2 415.534 1.546 40 0 HDABLO Cc1ccc(C[N@H+]2CCCn3c(=O)cc(CNC(=O)c4cnn(C)c4)nc3C2)s1 ZINC000096059659 559094066 /nfs/dbraw/zinc/09/40/66/559094066.db2.gz NHPKUYCMGIPWFQ-UHFFFAOYSA-N 1 2 412.519 1.683 40 0 HDABLO Cc1ccc(C[N@@H+]2CCCn3c(=O)cc(CNC(=O)c4cnn(C)c4)nc3C2)s1 ZINC000096059659 559094068 /nfs/dbraw/zinc/09/40/68/559094068.db2.gz NHPKUYCMGIPWFQ-UHFFFAOYSA-N 1 2 412.519 1.683 40 0 HDABLO C[NH+]1CCN(C(=O)c2ccc3c(c2)[C@@H](c2nnc[nH]2)CN3C(=O)c2ccccc2)CC1 ZINC000096267835 559108469 /nfs/dbraw/zinc/10/84/69/559108469.db2.gz NLAPGAGNQHHGFF-IBGZPJMESA-N 1 2 416.485 1.985 40 0 HDABLO C[NH+]1CCN(C(=O)c2ccc3c(c2)[C@@H](c2nc[nH]n2)CN3C(=O)c2ccccc2)CC1 ZINC000096267835 559108471 /nfs/dbraw/zinc/10/84/71/559108471.db2.gz NLAPGAGNQHHGFF-IBGZPJMESA-N 1 2 416.485 1.985 40 0 HDABLO COc1ccc([C@@H]2[NH+]=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)c(OC)c1OC ZINC000104279803 559159877 /nfs/dbraw/zinc/15/98/77/559159877.db2.gz YGKNEUARSGEGQE-GOSISDBHSA-N 1 2 415.450 1.238 40 0 HDABLO COc1ccc(C[NH+]2CC3(C2)CN(C(=O)c2cccnc2)C[C@H]2C[C@@H](O)CN23)cc1 ZINC000514289830 560031505 /nfs/dbraw/zinc/03/15/05/560031505.db2.gz PBDREGGGGXFPCL-WOJBJXKFSA-N 1 2 408.502 1.236 40 0 biogenic,in-vitro HDABLO Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](CC(C)C)N2CC[NH+](C)CC2)cc1 ZINC000019211189 560872126 /nfs/dbraw/zinc/87/21/26/560872126.db2.gz CNGCHJRGTIZQDV-SFHVURJKSA-N 1 2 406.556 1.748 40 0 HDABLO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(N)=O)[N@H+]1C=Cc3ccccc3[C@@H]21 ZINC000033739966 568697760 /nfs/dbraw/zinc/69/77/60/568697760.db2.gz CMRUCAPWVGLMEN-YRXWBPOGSA-N 1 2 417.421 1.474 40 0 HDABLO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(N)=O)[N@@H+]1C=Cc3ccccc3[C@@H]21 ZINC000033739966 568697764 /nfs/dbraw/zinc/69/77/64/568697764.db2.gz CMRUCAPWVGLMEN-YRXWBPOGSA-N 1 2 417.421 1.474 40 0 HDABLO CN(C(=O)CCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257199956 568776211 /nfs/dbraw/zinc/77/62/11/568776211.db2.gz ABKSIMYHAJPTHZ-MBOZVWFJSA-N 1 2 406.914 1.831 40 0 HDABLO O=C(CCc1nc2ccc(Cl)cc2[nH]1)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257268106 568795239 /nfs/dbraw/zinc/79/52/39/568795239.db2.gz MKGHBKNUELERGX-WRWLIDTKSA-N 1 2 406.914 1.879 40 0 HDABLO O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257272441 568796342 /nfs/dbraw/zinc/79/63/42/568796342.db2.gz NCKXEABHQRADHG-BFYDXBDKSA-N 1 2 403.483 1.099 40 0 HDABLO CCCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000257290311 568801618 /nfs/dbraw/zinc/80/16/18/568801618.db2.gz QCJAQBKHFNGGQF-IAGOWNOFSA-N 1 2 411.462 1.004 40 0 HDABLO CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000257319047 568810105 /nfs/dbraw/zinc/81/01/05/568810105.db2.gz VQKYZLFXDVFLSQ-QFIPXVFZSA-N 1 2 406.490 1.825 40 0 HDABLO CN(C)C(=O)C1CCN(C(=O)[C@@]2(C)CCCN(c3cc(N(C)C)[nH+]cn3)C2)CC1 ZINC000257323257 568811271 /nfs/dbraw/zinc/81/12/71/568811271.db2.gz WJJRYOFADMZYAR-NRFANRHFSA-N 1 2 402.543 1.476 40 0 HDABLO CN(C)C(=O)C1CCN(C(=O)[C@@]2(C)CCCN(c3cc(N(C)C)nc[nH+]3)C2)CC1 ZINC000257323257 568811273 /nfs/dbraw/zinc/81/12/73/568811273.db2.gz WJJRYOFADMZYAR-NRFANRHFSA-N 1 2 402.543 1.476 40 0 HDABLO COCCN1CC[C@@]2(CN(C(=O)c3cnccn3)C[C@H]2c2cn(C(C)C)c[nH+]2)C1=O ZINC000306135427 568897302 /nfs/dbraw/zinc/89/73/02/568897302.db2.gz OQHWIGIXEKKVFT-KKSFZXQISA-N 1 2 412.494 1.359 40 0 HDABLO Nc1ncc(C[N@@H+]2CCO[C@@]3(CCCC[C@H]3NC(=O)Cc3cccs3)C2)cn1 ZINC000306138975 568900900 /nfs/dbraw/zinc/90/09/00/568900900.db2.gz SMCSSZOKYQWBHI-XLIONFOSSA-N 1 2 401.536 1.993 40 0 HDABLO Nc1ncc(C[N@H+]2CCO[C@@]3(CCCC[C@H]3NC(=O)Cc3cccs3)C2)cn1 ZINC000306138975 568900901 /nfs/dbraw/zinc/90/09/01/568900901.db2.gz SMCSSZOKYQWBHI-XLIONFOSSA-N 1 2 401.536 1.993 40 0 HDABLO Cn1c[nH+]c([C@H]2CN(C(=O)c3ccnn3C)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306142126 568903756 /nfs/dbraw/zinc/90/37/56/568903756.db2.gz WQHGIWIZKMFLMU-VGSWGCGISA-N 1 2 419.489 1.207 40 0 HDABLO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cccc(F)c1)C(Cl)(Cl)Cl ZINC000575421886 569026031 /nfs/dbraw/zinc/02/60/31/569026031.db2.gz SPYWMNHQTAKZCK-GHMZBOCLSA-N 1 2 403.690 1.567 40 0 HDABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)COc1ccc(-n2cccn2)nn1 ZINC000224357623 569059782 /nfs/dbraw/zinc/05/97/82/569059782.db2.gz MUQCFVUBWVQWIU-UHFFFAOYSA-N 1 2 423.481 1.526 40 0 HDABLO CCN1C(=O)[C@@H]2[C@H](c3ccc(O)cc3)[NH2+][C@](Cc3ccc(O)cc3)(C(=O)OC)[C@H]2C1=O ZINC000245230526 569313910 /nfs/dbraw/zinc/31/39/10/569313910.db2.gz TYLZOQAXNXQEBE-YWNPBTLJSA-N 1 2 424.453 1.518 40 0 HDABLO