smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(c1ccncn1)C1CC2(C1)CCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC000257246097 810831744 /nfs/dbraw/zinc/83/17/44/810831744.db2.gz ISMNTLJTGLWDJY-UHFFFAOYSA-N 1 2 354.458 1.971 40 0 FDABLO Cc1nc2cc(CCC(=O)N[C@@H]3CC[C@@H]([NH+]4CCOCC4)[C@@H]3O)ccc2[nH]1 ZINC000257245629 810831850 /nfs/dbraw/zinc/83/18/50/810831850.db2.gz IQJMAWUZNVJCCG-YVWKXTFCSA-N 1 2 372.469 1.144 40 0 FDABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cc(C)ccc3OC)C2=O)CC1 ZINC000104346237 206000337 /nfs/dbraw/zinc/00/03/37/206000337.db2.gz UGWQLTCXJABCFV-INIZCTEOSA-N 1 2 374.437 1.911 40 0 FDABLO CCCn1c[nH+]c2c1CN(S(=O)(=O)c1ccccc1)[C@H](C(=O)OC)C2 ZINC000015676583 206315572 /nfs/dbraw/zinc/31/55/72/206315572.db2.gz OVPKKXCEONMHIK-HNNXBMFYSA-N 1 2 363.439 1.582 40 0 biogenic,in-vitro FDABLO CC(C)(C)C(=O)N1CC[C@H]2CC(=O)N(CC[NH+]3CCOCC3)CC[C@H]2C1 ZINC000015672916 206316050 /nfs/dbraw/zinc/31/60/50/206316050.db2.gz IYVJEMGZHSWCHG-IRXDYDNUSA-N 1 2 365.518 1.452 40 0 biogenic,in-vitro FDABLO CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@H+](C)C1 ZINC000020464408 206331812 /nfs/dbraw/zinc/33/18/12/206331812.db2.gz UZHKUTACUHRTTJ-STQMWFEESA-N 1 2 373.413 1.918 40 0 biogenic,in-vitro FDABLO CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@@H+](C)C1 ZINC000020464408 206331817 /nfs/dbraw/zinc/33/18/17/206331817.db2.gz UZHKUTACUHRTTJ-STQMWFEESA-N 1 2 373.413 1.918 40 0 biogenic,in-vitro FDABLO O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130954625 132250974 /nfs/dbraw/zinc/25/09/74/132250974.db2.gz BDXCJBNAHNKEFM-CQSZACIVSA-N 1 2 352.394 1.775 40 0 FDABLO Cc1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3cc(C)[nH+]cn3)C2)cn1 ZINC000257306210 132296851 /nfs/dbraw/zinc/29/68/51/132296851.db2.gz STHRXRDTZAJVLH-LJQANCHMSA-N 1 2 355.442 1.592 40 0 FDABLO COc1ccc(S(=O)(=O)N2CC[NH+](CC3=CCCOC3)CC2)cc1 ZINC000179538810 258353328 /nfs/dbraw/zinc/35/33/28/258353328.db2.gz LSUMWPREMMDXRS-UHFFFAOYSA-N 1 2 352.456 1.348 40 0 FDABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)C1 ZINC000017076560 263372399 /nfs/dbraw/zinc/37/23/99/263372399.db2.gz ZPAVNLDTZBCRBP-GXTWGEPZSA-N 1 2 374.393 1.322 40 0 FDABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)C1 ZINC000017076560 263372402 /nfs/dbraw/zinc/37/24/02/263372402.db2.gz ZPAVNLDTZBCRBP-GXTWGEPZSA-N 1 2 374.393 1.322 40 0 FDABLO CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CC[NH+](C)CC1 ZINC000008090049 518452695 /nfs/dbraw/zinc/45/26/95/518452695.db2.gz WZLIECGBJZYGER-UHFFFAOYSA-N 1 2 359.499 1.755 40 0 FDABLO CC(C)(C)C(=O)C[NH+]1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 ZINC000012142387 518590422 /nfs/dbraw/zinc/59/04/22/518590422.db2.gz LAJPGSQCWXRVTG-UHFFFAOYSA-N 1 2 351.472 1.798 40 0 FDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)c(OC)c1 ZINC000012182525 518594548 /nfs/dbraw/zinc/59/45/48/518594548.db2.gz RUMFSSRQCHVEGJ-UHFFFAOYSA-N 1 2 370.453 1.946 40 0 FDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)c(OC)c1 ZINC000012182525 518594559 /nfs/dbraw/zinc/59/45/59/518594559.db2.gz RUMFSSRQCHVEGJ-UHFFFAOYSA-N 1 2 370.453 1.946 40 0 FDABLO Cc1cc2c(nc3n(c2=O)CCN(C(=O)CCn2cc[nH+]c2)CC3)s1 ZINC000012221538 518596497 /nfs/dbraw/zinc/59/64/97/518596497.db2.gz LGYKDMXOWPMURP-UHFFFAOYSA-N 1 2 357.439 1.438 40 0 FDABLO CCNS(=O)(=O)c1cc(C(=O)NCCCn2cc[nH+]c2)ccc1OC ZINC000016681796 518765958 /nfs/dbraw/zinc/76/59/58/518765958.db2.gz CSZWLIFUFGIVIG-UHFFFAOYSA-N 1 2 366.443 1.010 40 0 FDABLO CN(C)c1ncc(C[N@@H+]2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cn1 ZINC000019585552 518820142 /nfs/dbraw/zinc/82/01/42/518820142.db2.gz YQYKHWRGPQJQDP-UHFFFAOYSA-N 1 2 363.425 1.246 40 0 FDABLO CN(C)c1ncc(C[N@H+]2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cn1 ZINC000019585552 518820149 /nfs/dbraw/zinc/82/01/49/518820149.db2.gz YQYKHWRGPQJQDP-UHFFFAOYSA-N 1 2 363.425 1.246 40 0 FDABLO C[N@@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)COc1ccccc1F)CC2 ZINC000019706332 518827173 /nfs/dbraw/zinc/82/71/73/518827173.db2.gz OSFILXQVNNRZPS-OAHLLOKOSA-N 1 2 373.432 1.648 40 0 FDABLO C[N@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)COc1ccccc1F)CC2 ZINC000019706332 518827181 /nfs/dbraw/zinc/82/71/81/518827181.db2.gz OSFILXQVNNRZPS-OAHLLOKOSA-N 1 2 373.432 1.648 40 0 FDABLO C[N@@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)COc1ccccc1)CC2 ZINC000019706181 518827998 /nfs/dbraw/zinc/82/79/98/518827998.db2.gz IDEAOGLFFFOMJG-KRWDZBQOSA-N 1 2 369.469 1.899 40 0 FDABLO C[N@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)COc1ccccc1)CC2 ZINC000019706181 518828006 /nfs/dbraw/zinc/82/80/06/518828006.db2.gz IDEAOGLFFFOMJG-KRWDZBQOSA-N 1 2 369.469 1.899 40 0 FDABLO CCCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000245230034 521256039 /nfs/dbraw/zinc/25/60/39/521256039.db2.gz KNQLHHBPRIXNKV-ASKKUZCQSA-N 1 2 374.437 1.760 40 0 FDABLO CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000069131633 521816629 /nfs/dbraw/zinc/81/66/29/521816629.db2.gz GPVUZLTYLNLNIQ-UHFFFAOYSA-N 1 2 373.478 1.899 40 0 FDABLO CCc1nn(CC(=O)NCCc2c[nH+]c[nH]2)c(=O)c2cc3ccsc3n21 ZINC000072334583 522218351 /nfs/dbraw/zinc/21/83/51/522218351.db2.gz DIVMTHYOIDKIHM-UHFFFAOYSA-N 1 2 370.438 1.355 40 0 FDABLO CCc1nn(CC(=O)NCCc2c[nH]c[nH+]2)c(=O)c2cc3ccsc3n21 ZINC000072334583 522218359 /nfs/dbraw/zinc/21/83/59/522218359.db2.gz DIVMTHYOIDKIHM-UHFFFAOYSA-N 1 2 370.438 1.355 40 0 FDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)CC1 ZINC000052410651 523170152 /nfs/dbraw/zinc/17/01/52/523170152.db2.gz RHCTWQMSQSBISG-UHFFFAOYSA-N 1 2 366.487 1.641 40 0 FDABLO CCOc1cc([C@H]([NH3+])c2nnc(CCN3CCOCC3)[nH]2)ccc1OC ZINC000095534412 525107484 /nfs/dbraw/zinc/10/74/84/525107484.db2.gz NQWPZHMNXGCNIA-KRWDZBQOSA-N 1 2 361.446 1.135 40 0 FDABLO O=C(C1CCOCC1)N1CCC2(CC1)C[N@H+](Cc1ccccn1)CCO2 ZINC000096048971 525128436 /nfs/dbraw/zinc/12/84/36/525128436.db2.gz DARULEUWTBCNQS-UHFFFAOYSA-N 1 2 359.470 1.702 40 0 FDABLO O=C(C1CCOCC1)N1CCC2(CC1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000096048971 525128441 /nfs/dbraw/zinc/12/84/41/525128441.db2.gz DARULEUWTBCNQS-UHFFFAOYSA-N 1 2 359.470 1.702 40 0 FDABLO O=C(NCC1CC1)[C@H]1Cn2c[nH+]cc2CN(C(=O)NCc2ccccc2)C1 ZINC000096260687 525157363 /nfs/dbraw/zinc/15/73/63/525157363.db2.gz WUYDLKHVIBFXQP-QGZVFWFLSA-N 1 2 367.453 1.751 40 0 FDABLO Cc1cc(C(=O)N2CC[C@H]3OCC[N@H+](Cc4cccnc4)[C@@H]3CC2)no1 ZINC000096249393 525157636 /nfs/dbraw/zinc/15/76/36/525157636.db2.gz PITJUEUJSVIBOT-QZTJIDSGSA-N 1 2 356.426 1.884 40 0 FDABLO Cc1cc(C(=O)N2CC[C@H]3OCC[N@@H+](Cc4cccnc4)[C@@H]3CC2)no1 ZINC000096249393 525157645 /nfs/dbraw/zinc/15/76/45/525157645.db2.gz PITJUEUJSVIBOT-QZTJIDSGSA-N 1 2 356.426 1.884 40 0 FDABLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000153361090 525189345 /nfs/dbraw/zinc/18/93/45/525189345.db2.gz YNANVDWYWGSXDD-JKSUJKDBSA-N 1 2 355.446 1.374 40 0 FDABLO O=C(NC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21)C1CC1 ZINC000247459483 537121157 /nfs/dbraw/zinc/12/11/57/537121157.db2.gz AIGVJFMZDCJQNK-MRXNPFEDSA-N 1 2 354.410 1.695 40 0 FDABLO COCC(=O)NC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000247864886 537154275 /nfs/dbraw/zinc/15/42/75/537154275.db2.gz XDAOFSMICSCWAR-OAHLLOKOSA-N 1 2 362.861 1.931 40 0 FDABLO COCC(=O)NC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000247864886 537154278 /nfs/dbraw/zinc/15/42/78/537154278.db2.gz XDAOFSMICSCWAR-OAHLLOKOSA-N 1 2 362.861 1.931 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccc(C)c(C)c3)C2)C[N@@H+]1CC1CC1 ZINC000247965802 537159915 /nfs/dbraw/zinc/15/99/15/537159915.db2.gz SDNITCLIRUCYQB-SFHVURJKSA-N 1 2 371.481 1.355 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccc(C)c(C)c3)C2)C[N@H+]1CC1CC1 ZINC000247965802 537159918 /nfs/dbraw/zinc/15/99/18/537159918.db2.gz SDNITCLIRUCYQB-SFHVURJKSA-N 1 2 371.481 1.355 40 0 FDABLO Cc1noc(C)c1CN1Cc2c[nH+]cn2[C@@H](C(=O)NCc2ccco2)C1 ZINC000251922187 537249014 /nfs/dbraw/zinc/24/90/14/537249014.db2.gz BAOKZLQFIJSBEF-QGZVFWFLSA-N 1 2 355.398 1.954 40 0 FDABLO CCOc1cc([C@H](C2C(=O)NC(=S)N[C@@H]2O)n2cc[nH+]c2)ccc1O ZINC000223812475 537536051 /nfs/dbraw/zinc/53/60/51/537536051.db2.gz LCEJYIXOGJTQTF-ZIAGYGMSSA-N 1 2 362.411 1.143 40 0 FDABLO Cc1csc(CN2Cc3c[nH+]cn3[C@@H](CCNS(C)(=O)=O)C2)n1 ZINC000306124619 537601156 /nfs/dbraw/zinc/60/11/56/537601156.db2.gz BUSMYTYBNVDGDQ-LBPRGKRZSA-N 1 2 355.489 1.144 40 0 FDABLO CCC(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(CCOC)C2=O)C1 ZINC000306129208 537602427 /nfs/dbraw/zinc/60/24/27/537602427.db2.gz HXMFDLDLZWBPHM-DNVCBOLYSA-N 1 2 362.474 1.665 40 0 FDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccc2c(c1)OCCCO2 ZINC000585094746 551568226 /nfs/dbraw/zinc/56/82/26/551568226.db2.gz KHGDRNDMNNMQGD-CQSZACIVSA-N 1 2 357.410 1.795 40 0 FDABLO COc1ccccc1CN1Cc2ncn(C)c2C[C@@H]1C[NH+]1CCOCC1 ZINC000585094974 551568512 /nfs/dbraw/zinc/56/85/12/551568512.db2.gz XTECTYLNERRUKE-QGZVFWFLSA-N 1 2 356.470 1.688 40 0 FDABLO C[C@@H]1c2[nH+]cc(CCOc3cccnc3)n2CCN1C(=O)C1CC(O)C1 ZINC000585097711 551569897 /nfs/dbraw/zinc/56/98/97/551569897.db2.gz MZSYTDNQSQHVKQ-VQCLRJIVSA-N 1 2 356.426 1.574 40 0 FDABLO CCS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3ccccc3F)C2)OC1 ZINC000585105215 551572231 /nfs/dbraw/zinc/57/22/31/551572231.db2.gz QKSSVVGXYQBOGQ-CQSZACIVSA-N 1 2 356.463 1.746 40 0 FDABLO O=C(NCC1CCOCC1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2nccs2)C1 ZINC000585108733 551572899 /nfs/dbraw/zinc/57/28/99/551572899.db2.gz OGXFXQXPVRNSLL-ARFHVFGLSA-N 1 2 365.499 1.665 40 0 FDABLO O=C(NCC1CCOCC1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2nccs2)C1 ZINC000585108733 551572902 /nfs/dbraw/zinc/57/29/02/551572902.db2.gz OGXFXQXPVRNSLL-ARFHVFGLSA-N 1 2 365.499 1.665 40 0 FDABLO COc1cccc(CNc2cc(-c3cccnc3)[nH+]c(N[C@H](C)CO)n2)c1 ZINC000329057789 571109115 /nfs/dbraw/zinc/10/91/15/571109115.db2.gz VZDBVXQKKHAESH-CQSZACIVSA-N 1 2 365.437 1.796 40 0 FDABLO C[C@@H]1c2nc(CC(=O)N3CCOCC3)cn2CC[N@H+]1Cc1cccnc1 ZINC000253590883 571138437 /nfs/dbraw/zinc/13/84/37/571138437.db2.gz GVZVFYCHPWWOPQ-OAHLLOKOSA-N 1 2 355.442 1.256 40 0 FDABLO C[C@@H]1c2nc(CC(=O)N3CCOCC3)cn2CC[N@@H+]1Cc1cccnc1 ZINC000253590883 571138438 /nfs/dbraw/zinc/13/84/38/571138438.db2.gz GVZVFYCHPWWOPQ-OAHLLOKOSA-N 1 2 355.442 1.256 40 0 FDABLO CCn1cc(-c2ccnc3cc(C(=O)NCc4cn(C)c[nH+]4)nn32)c(C)n1 ZINC000257235890 571152865 /nfs/dbraw/zinc/15/28/65/571152865.db2.gz GZZLAUBGIAIKKN-UHFFFAOYSA-N 1 2 364.413 1.585 40 0 FDABLO Cc1[nH+]cc(-c2nccnc2C2CCN(S(=O)(=O)N(C)C)CC2)n1C ZINC000257276766 571157290 /nfs/dbraw/zinc/15/72/90/571157290.db2.gz NVAJKPPYXOKWQU-UHFFFAOYSA-N 1 2 364.475 1.171 40 0 FDABLO CN(C[C@]1(O)CCN(c2cccc[nH+]2)C1)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000257296031 571159063 /nfs/dbraw/zinc/15/90/63/571159063.db2.gz RAXAXMCMXMOVTD-LJQANCHMSA-N 1 2 357.458 1.816 40 0 FDABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 ZINC000253573464 571291789 /nfs/dbraw/zinc/29/17/89/571291789.db2.gz RLHXLAPRBKCXQI-ABAIWWIYSA-N 1 2 366.364 1.872 40 0 FDABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 ZINC000253573464 571291791 /nfs/dbraw/zinc/29/17/91/571291791.db2.gz RLHXLAPRBKCXQI-ABAIWWIYSA-N 1 2 366.364 1.872 40 0 FDABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000096301127 205872851 /nfs/dbraw/zinc/87/28/51/205872851.db2.gz CPBFWEVQVYCDMK-HNNXBMFYSA-N 1 2 366.364 1.872 40 0 FDABLO COC(=O)[C@]1(C(C)C)[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000100420383 206223628 /nfs/dbraw/zinc/22/36/28/206223628.db2.gz LPXSMCWEPXOGPJ-MOROJQBDSA-N 1 2 364.829 1.783 40 0 FDABLO Nc1nc(N)c2c([nH+]1)NC(=O)C[C@H]2C(=O)Nc1ccc(F)c(Cl)c1 ZINC000013570416 206303430 /nfs/dbraw/zinc/30/34/30/206303430.db2.gz XPAPHGMNCROKTG-ZCFIWIBFSA-N 1 2 350.741 1.498 40 0 FDABLO CCCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000019502172 206326584 /nfs/dbraw/zinc/32/65/84/206326584.db2.gz KNQLHHBPRIXNKV-ROYATCLZSA-N 1 2 374.437 1.760 40 0 FDABLO Cc1c(Cl)c(C(F)F)nn1CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000022266909 206335080 /nfs/dbraw/zinc/33/50/80/206335080.db2.gz YIJROOFUBIRRIC-VIFPVBQESA-N 1 2 350.797 1.619 40 0 FDABLO Cc1nccc(-c2ccc(-c3noc(C[NH+](CCO)CCO)n3)cc2)n1 ZINC000057743739 206386895 /nfs/dbraw/zinc/38/68/95/206386895.db2.gz BHCIKXIEJIBXNO-UHFFFAOYSA-N 1 2 355.398 1.289 40 0 FDABLO CN(C)c1ccc(N2CCC[C@@]3(CN(c4cnccn4)CCO3)C2)[nH+]c1 ZINC000096226445 132222883 /nfs/dbraw/zinc/22/28/83/132222883.db2.gz ZCGGVKJAZIJRGJ-IBGZPJMESA-N 1 2 354.458 1.813 40 0 FDABLO c1cc(CN2CCc3[nH+]c(N4CCOCC4)nc(NC4CC4)c3C2)ccn1 ZINC000096254140 132224144 /nfs/dbraw/zinc/22/41/44/132224144.db2.gz UMSIHTAJUFLXPI-UHFFFAOYSA-N 1 2 366.469 1.841 40 0 FDABLO c1cc(C[N@@H+]2CCc3nc(N4CCOCC4)nc(NC4CC4)c3C2)ccn1 ZINC000096254140 132224145 /nfs/dbraw/zinc/22/41/45/132224145.db2.gz UMSIHTAJUFLXPI-UHFFFAOYSA-N 1 2 366.469 1.841 40 0 FDABLO c1cc(C[N@H+]2CCc3nc(N4CCOCC4)nc(NC4CC4)c3C2)ccn1 ZINC000096254140 132224146 /nfs/dbraw/zinc/22/41/46/132224146.db2.gz UMSIHTAJUFLXPI-UHFFFAOYSA-N 1 2 366.469 1.841 40 0 FDABLO CN(C)c1ncc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000012122368 518588781 /nfs/dbraw/zinc/58/87/81/518588781.db2.gz RUWMUHVVDWYAFH-UHFFFAOYSA-N 1 2 363.425 1.659 40 0 FDABLO CN(C)c1ncc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000012122368 518588786 /nfs/dbraw/zinc/58/87/86/518588786.db2.gz RUWMUHVVDWYAFH-UHFFFAOYSA-N 1 2 363.425 1.659 40 0 FDABLO O=S(=O)(N1CCCCC1)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000019342974 518807926 /nfs/dbraw/zinc/80/79/26/518807926.db2.gz GIXUZLWSHJEHIA-AWEZNQCLSA-N 1 2 359.517 1.130 40 0 FDABLO CCCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019502166 518814467 /nfs/dbraw/zinc/81/44/67/518814467.db2.gz KNQLHHBPRIXNKV-ZKNHNOBHSA-N 1 2 374.437 1.760 40 0 FDABLO COCc1ccc(C(=O)N2CCc3nnc([C@H]4CCC[N@@H+]4C)n3CC2)cc1 ZINC000019706335 518828213 /nfs/dbraw/zinc/82/82/13/518828213.db2.gz SXDGTDUEWSLQNP-QGZVFWFLSA-N 1 2 369.469 1.890 40 0 FDABLO COCc1ccc(C(=O)N2CCc3nnc([C@H]4CCC[N@H+]4C)n3CC2)cc1 ZINC000019706335 518828218 /nfs/dbraw/zinc/82/82/18/518828218.db2.gz SXDGTDUEWSLQNP-QGZVFWFLSA-N 1 2 369.469 1.890 40 0 FDABLO Cc1cnc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)Nc3nccs3)CC2)cn1 ZINC000019749190 518833880 /nfs/dbraw/zinc/83/38/80/518833880.db2.gz TYUNVVWOXJWVRA-CYBMUJFWSA-N 1 2 374.470 1.465 40 0 FDABLO Cc1cnc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)Nc3nccs3)CC2)cn1 ZINC000019749190 518833888 /nfs/dbraw/zinc/83/38/88/518833888.db2.gz TYUNVVWOXJWVRA-CYBMUJFWSA-N 1 2 374.470 1.465 40 0 FDABLO C[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 ZINC000020061880 518843903 /nfs/dbraw/zinc/84/39/03/518843903.db2.gz ZEMOBUIQNSOBBA-UHFFFAOYSA-N 1 2 371.890 1.512 40 0 FDABLO c1nncn1N1C[NH+]=C2NC3(CCCCC3)n3c4ccccc4nc3N2C1 ZINC000020676437 518855714 /nfs/dbraw/zinc/85/57/14/518855714.db2.gz YXBIYAWSEGXBLK-UHFFFAOYSA-N 1 2 363.429 1.577 40 0 FDABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)CC1 ZINC000033561967 519589175 /nfs/dbraw/zinc/58/91/75/519589175.db2.gz XVFNGGIOZAZFFU-UHFFFAOYSA-N 1 2 360.439 1.270 40 0 FDABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000034859971 519597407 /nfs/dbraw/zinc/59/74/07/519597407.db2.gz DMCVNGNWBOALDX-UHFFFAOYSA-N 1 2 359.451 1.875 40 0 FDABLO C[N@H+](Cc1ccco1)[C@@H]1CN(S(=O)(=O)C2CC2)C[C@@H]2CCCO[C@H]12 ZINC000096057157 525127264 /nfs/dbraw/zinc/12/72/64/525127264.db2.gz WJFHKRUZXUQLFJ-XKQJLSEDSA-N 1 2 354.472 1.683 40 0 FDABLO C[N@@H+](Cc1ccco1)[C@@H]1CN(S(=O)(=O)C2CC2)C[C@@H]2CCCO[C@H]12 ZINC000096057157 525127269 /nfs/dbraw/zinc/12/72/69/525127269.db2.gz WJFHKRUZXUQLFJ-XKQJLSEDSA-N 1 2 354.472 1.683 40 0 FDABLO Cc1occc1C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC000096197579 525149313 /nfs/dbraw/zinc/14/93/13/525149313.db2.gz LWETYYMDJAEBQB-UHFFFAOYSA-N 1 2 353.382 1.436 40 0 FDABLO Cc1nc(-c2noc3ccc(C(=O)NCC[NH+]4CCOCC4)cc32)co1 ZINC000096266504 525157610 /nfs/dbraw/zinc/15/76/10/525157610.db2.gz CLUPSHNKCRUEIR-UHFFFAOYSA-N 1 2 356.382 1.853 40 0 FDABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000229911374 537574215 /nfs/dbraw/zinc/57/42/15/537574215.db2.gz YEZNKYFKDZHBMC-GPINWOSQSA-N 1 2 360.410 1.370 40 0 FDABLO C[N@@H+]1CCC[C@H]1c1nc(C(=O)NCCN2CCOCC2)c2ccccn21 ZINC000306124851 537600630 /nfs/dbraw/zinc/60/06/30/537600630.db2.gz CAVGSWCMTBVITA-INIZCTEOSA-N 1 2 357.458 1.163 40 0 FDABLO C[N@H+]1CCC[C@H]1c1nc(C(=O)NCCN2CCOCC2)c2ccccn21 ZINC000306124851 537600638 /nfs/dbraw/zinc/60/06/38/537600638.db2.gz CAVGSWCMTBVITA-INIZCTEOSA-N 1 2 357.458 1.163 40 0 FDABLO CN(C)c1cc(N2CC3(C2)OCC[C@H]3CCNC(=O)N2CCCC2)nc[nH+]1 ZINC000306130978 537601841 /nfs/dbraw/zinc/60/18/41/537601841.db2.gz JTWKTPGDSRICGK-OAHLLOKOSA-N 1 2 374.489 1.333 40 0 FDABLO CN(C)c1cc(N2CC3(C2)OCC[C@H]3CCNC(=O)N2CCCC2)[nH+]cn1 ZINC000306130978 537601848 /nfs/dbraw/zinc/60/18/48/537601848.db2.gz JTWKTPGDSRICGK-OAHLLOKOSA-N 1 2 374.489 1.333 40 0 FDABLO Cn1cc(C[N@H+]2Cc3ccnn3C[C@@H](CNC(=O)c3ccsc3)C2)cn1 ZINC000306129886 537602177 /nfs/dbraw/zinc/60/21/77/537602177.db2.gz IPRFQDIBMQIBEH-AWEZNQCLSA-N 1 2 370.482 1.740 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3ccnn3C[C@@H](CNC(=O)c3ccsc3)C2)cn1 ZINC000306129886 537602187 /nfs/dbraw/zinc/60/21/87/537602187.db2.gz IPRFQDIBMQIBEH-AWEZNQCLSA-N 1 2 370.482 1.740 40 0 FDABLO Cn1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2COCc2cccnc2)cn1 ZINC000585094981 551568539 /nfs/dbraw/zinc/56/85/39/551568539.db2.gz YEURVAPSVFCUMS-KRWDZBQOSA-N 1 2 352.442 1.692 40 0 FDABLO Cc1ccccc1C[NH+]1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O ZINC000585103273 551571481 /nfs/dbraw/zinc/57/14/81/551571481.db2.gz OCAASEMHBGCICX-KRWDZBQOSA-N 1 2 373.478 1.853 40 0 FDABLO O=C(CC1CC1)NCc1c[nH+]c2n1CCN(C(=O)C1CC(F)(F)C1)CC2 ZINC000585110671 551573600 /nfs/dbraw/zinc/57/36/00/551573600.db2.gz ZUXPTYHBURFQCT-UHFFFAOYSA-N 1 2 366.412 1.729 40 0 FDABLO O=C(CCCn1cc[nH+]c1)N1CCOC[C@@](O)(COc2ccccc2)C1 ZINC000585271985 551576500 /nfs/dbraw/zinc/57/65/00/551576500.db2.gz JHVUNCGYFJGMMV-LJQANCHMSA-N 1 2 359.426 1.332 40 0 FDABLO Cc1ccc(C[C@]2(CO)CN(C(=O)CCCn3cc[nH+]c3)CCO2)cc1 ZINC000585278114 551577776 /nfs/dbraw/zinc/57/77/76/551577776.db2.gz QQSTXPXHNWWWSN-HXUWFJFHSA-N 1 2 357.454 1.804 40 0 FDABLO CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](CC)CC2)cc1 ZINC000408587532 570565893 /nfs/dbraw/zinc/56/58/93/570565893.db2.gz DQLPMTFVQOHSPW-UHFFFAOYSA-N 1 2 368.503 1.887 40 0 FDABLO Cc1cnc(C(=O)N2Cc3c[nH+]cn3[C@H](COc3ncccc3F)C2)cn1 ZINC000306137963 571041079 /nfs/dbraw/zinc/04/10/79/571041079.db2.gz RLCYETDZKOROFY-AWEZNQCLSA-N 1 2 368.372 1.792 40 0 FDABLO COC(=O)c1ccc(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)cc1OC ZINC000329006338 571107075 /nfs/dbraw/zinc/10/70/75/571107075.db2.gz LDIZGIFASOWUJU-UHFFFAOYSA-N 1 2 372.425 1.531 40 0 FDABLO COc1ccccc1CNc1cc(-c2cccnc2)[nH+]c(NCCO)n1 ZINC000329014808 571107423 /nfs/dbraw/zinc/10/74/23/571107423.db2.gz MYQHRGRFWOQICV-UHFFFAOYSA-N 1 2 351.410 1.407 40 0 FDABLO C[C@H](CO)Nc1nc(NCc2cccc(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329045503 571108405 /nfs/dbraw/zinc/10/84/05/571108405.db2.gz TVYDSKNRLAVKNR-CYBMUJFWSA-N 1 2 353.401 1.926 40 0 FDABLO Cc1nn(C)cc1CCC(=O)N(C)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257224915 571151805 /nfs/dbraw/zinc/15/18/05/571151805.db2.gz FDXXRQXQBSSMPE-IBGZPJMESA-N 1 2 357.458 1.156 40 0 FDABLO CCc1[nH+]ccn1CCC(=O)N1CC[C@@H](c2ncc(CNC(C)=O)[nH]2)C1 ZINC000257262790 571155710 /nfs/dbraw/zinc/15/57/10/571155710.db2.gz LMXNRQZOLNZPTO-CQSZACIVSA-N 1 2 358.446 1.211 40 0 FDABLO Cc1onc(C(C)C)c1C(=O)NC[C@@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000257274396 571156980 /nfs/dbraw/zinc/15/69/80/571156980.db2.gz NKYJQWTZZCKHJQ-SFHVURJKSA-N 1 2 359.430 1.576 40 0 FDABLO Cc1cc(N2CC[C@](O)(CN(C)C(=O)Cc3cccc(F)c3)C2)nc[nH+]1 ZINC000257312963 571160846 /nfs/dbraw/zinc/16/08/46/571160846.db2.gz UQLFPBMQAARKCU-IBGZPJMESA-N 1 2 358.417 1.566 40 0 FDABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC000257323094 571161926 /nfs/dbraw/zinc/16/19/26/571161926.db2.gz WISUJLOKULBDFF-LBPRGKRZSA-N 1 2 351.432 1.154 40 0 FDABLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@H]1O)c1cnccn1 ZINC000257343134 571163331 /nfs/dbraw/zinc/16/33/31/571163331.db2.gz ZRPUBPHHQYJLCM-HUUCEWRRSA-N 1 2 350.781 1.244 40 0 FDABLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@H]1O)c1cnccn1 ZINC000257343134 571163333 /nfs/dbraw/zinc/16/33/33/571163333.db2.gz ZRPUBPHHQYJLCM-HUUCEWRRSA-N 1 2 350.781 1.244 40 0 FDABLO COc1ccc(CN2C(=O)CO[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]32)cc1 ZINC000067897225 204361247 /nfs/dbraw/zinc/36/12/47/204361247.db2.gz CXFXWZPVMNKDJJ-MOPGFXCFSA-N 1 2 353.422 1.702 40 0 biogenic,in-vitro FDABLO COc1ccc(CN2C(=O)CO[C@H]3C[N@H+](Cc4cccnc4)C[C@H]32)cc1 ZINC000067897225 204361249 /nfs/dbraw/zinc/36/12/49/204361249.db2.gz CXFXWZPVMNKDJJ-MOPGFXCFSA-N 1 2 353.422 1.702 40 0 biogenic,in-vitro FDABLO CN(C)c1[nH+]c2c(cc1C(=O)NCC1CC1)CCN(c1ccncn1)CC2 ZINC000096260369 205868322 /nfs/dbraw/zinc/86/83/22/205868322.db2.gz OAWBNJBXCHQTDD-UHFFFAOYSA-N 1 2 366.469 1.683 40 0 FDABLO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000101982797 206227556 /nfs/dbraw/zinc/22/75/56/206227556.db2.gz NONAFFPJNGHMCF-ZDUSSCGKSA-N 1 2 370.236 1.823 40 0 FDABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2cncnc2)no1 ZINC000012530109 206292115 /nfs/dbraw/zinc/29/21/15/206292115.db2.gz ZFMUQVZWTFVROA-GJZGRUSLSA-N 1 2 368.372 1.841 40 0 biogenic,in-vitro FDABLO C[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2cncnc2)no1 ZINC000012530109 206292117 /nfs/dbraw/zinc/29/21/17/206292117.db2.gz ZFMUQVZWTFVROA-GJZGRUSLSA-N 1 2 368.372 1.841 40 0 biogenic,in-vitro FDABLO Cc1noc(C)c1CC(=O)N(C)C[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257255638 132295786 /nfs/dbraw/zinc/29/57/86/132295786.db2.gz KIHUIXOIXKLHLU-IBGZPJMESA-N 1 2 358.442 1.719 40 0 FDABLO O=C(C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1cccc(F)c1 ZINC000012144575 518591266 /nfs/dbraw/zinc/59/12/66/518591266.db2.gz RULANUQLYYLTAT-UHFFFAOYSA-N 1 2 371.416 1.506 40 0 FDABLO O=C(C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1cccc(F)c1 ZINC000012144575 518591269 /nfs/dbraw/zinc/59/12/69/518591269.db2.gz RULANUQLYYLTAT-UHFFFAOYSA-N 1 2 371.416 1.506 40 0 FDABLO Cc1csc2c1nc1n(c2=O)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000012221610 518595782 /nfs/dbraw/zinc/59/57/82/518595782.db2.gz FPDMTXPUMUFUSZ-CYBMUJFWSA-N 1 2 371.466 1.999 40 0 FDABLO C[C@H](C(=O)N1CCN(c2nsc3ccccc32)CC1)[NH+]1CCOCC1 ZINC000019079161 518801929 /nfs/dbraw/zinc/80/19/29/518801929.db2.gz FGLHVHYRPVPJCD-CQSZACIVSA-N 1 2 360.483 1.666 40 0 FDABLO CCOC(=O)[C@@]1(CC)[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019500758 518814415 /nfs/dbraw/zinc/81/44/15/518814415.db2.gz QXYJPYRNFVYREE-XLPNERPQSA-N 1 2 360.410 1.282 40 0 FDABLO CN(C)c1ncc(C[N@@H+]2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)cn1 ZINC000019585550 518820286 /nfs/dbraw/zinc/82/02/86/518820286.db2.gz VHQWRRKBRJKAIK-UHFFFAOYSA-N 1 2 363.425 1.659 40 0 FDABLO CN(C)c1ncc(C[N@H+]2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)cn1 ZINC000019585550 518820291 /nfs/dbraw/zinc/82/02/91/518820291.db2.gz VHQWRRKBRJKAIK-UHFFFAOYSA-N 1 2 363.425 1.659 40 0 FDABLO Cc1cc(NC(=O)C[NH+]2CCC(c3ccc(C(=O)N(C)C)cn3)CC2)no1 ZINC000019705797 518827128 /nfs/dbraw/zinc/82/71/28/518827128.db2.gz SLMCBKLUULJSLY-UHFFFAOYSA-N 1 2 371.441 1.898 40 0 FDABLO C[C@]1(NC(=O)CC2CC[NH+](Cc3ccccn3)CC2)CCS(=O)(=O)C1 ZINC000019748226 518834233 /nfs/dbraw/zinc/83/42/33/518834233.db2.gz HVVOFUFJCSPZNQ-SFHVURJKSA-N 1 2 365.499 1.377 40 0 FDABLO O=C(c1cnc2sccn2c1=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000028233130 519227263 /nfs/dbraw/zinc/22/72/63/519227263.db2.gz QWTNRYQOYJQXLT-UHFFFAOYSA-N 1 2 372.425 1.853 40 0 FDABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3OCC)C2=O)C1 ZINC000037100416 519628924 /nfs/dbraw/zinc/62/89/24/519628924.db2.gz YIAKWINIQFMXMA-GOEBONIOSA-N 1 2 374.437 1.992 40 0 FDABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccccc3OCC)C2=O)C1 ZINC000037100416 519628929 /nfs/dbraw/zinc/62/89/29/519628929.db2.gz YIAKWINIQFMXMA-GOEBONIOSA-N 1 2 374.437 1.992 40 0 FDABLO CCOC(=O)C1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000020460936 520572763 /nfs/dbraw/zinc/57/27/63/520572763.db2.gz ISOYHYGQBZJPCI-UHFFFAOYSA-N 1 2 360.454 1.934 40 0 FDABLO COC(=O)C[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340209 522218865 /nfs/dbraw/zinc/21/88/65/522218865.db2.gz IMDZHVSIBMYYHW-VCBZYWHSSA-N 1 2 363.385 1.854 40 0 FDABLO COC(=O)C[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340209 522218874 /nfs/dbraw/zinc/21/88/74/522218874.db2.gz IMDZHVSIBMYYHW-VCBZYWHSSA-N 1 2 363.385 1.854 40 0 FDABLO COCCNC(=O)C[N@H+]1CC=C(n2c(C)nc(=O)c3ccccc32)CC1 ZINC000072348243 522222771 /nfs/dbraw/zinc/22/27/71/522222771.db2.gz ZZWJKRSFKQJYHX-UHFFFAOYSA-N 1 2 356.426 1.014 40 0 FDABLO COCCNC(=O)C[N@@H+]1CC=C(n2c(C)nc(=O)c3ccccc32)CC1 ZINC000072348243 522222782 /nfs/dbraw/zinc/22/27/82/522222782.db2.gz ZZWJKRSFKQJYHX-UHFFFAOYSA-N 1 2 356.426 1.014 40 0 FDABLO O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@H]2O1 ZINC000096043083 525125770 /nfs/dbraw/zinc/12/57/70/525125770.db2.gz FNPGEPROSXRKTQ-CWRNSKLLSA-N 1 2 358.467 1.834 40 0 FDABLO O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@H]2O1 ZINC000096043083 525125779 /nfs/dbraw/zinc/12/57/79/525125779.db2.gz FNPGEPROSXRKTQ-CWRNSKLLSA-N 1 2 358.467 1.834 40 0 FDABLO Cn1ccnc1C[N@@H+]1CC[C@@]2(C1)COCCN(C(=O)c1cccs1)C2 ZINC000096062379 525130113 /nfs/dbraw/zinc/13/01/13/525130113.db2.gz HQKBSICHJWKJJC-SFHVURJKSA-N 1 2 360.483 1.846 40 0 FDABLO Cn1ccnc1C[N@H+]1CC[C@@]2(C1)COCCN(C(=O)c1cccs1)C2 ZINC000096062379 525130119 /nfs/dbraw/zinc/13/01/19/525130119.db2.gz HQKBSICHJWKJJC-SFHVURJKSA-N 1 2 360.483 1.846 40 0 FDABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2ccncc2)CCO3)no1 ZINC000096209237 525149658 /nfs/dbraw/zinc/14/96/58/525149658.db2.gz KOFOLGNYYKFMHG-QFBILLFUSA-N 1 2 356.426 1.932 40 0 FDABLO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2ccncc2)CCO3)no1 ZINC000096209237 525149672 /nfs/dbraw/zinc/14/96/72/525149672.db2.gz KOFOLGNYYKFMHG-QFBILLFUSA-N 1 2 356.426 1.932 40 0 FDABLO O=C(C[C@H]1C[C@H]2C[N@H+](Cc3nccs3)C[C@H]2O1)NCc1ccccn1 ZINC000096220112 525152794 /nfs/dbraw/zinc/15/27/94/525152794.db2.gz ZZCOLASFCNEWQG-NUEKZKHPSA-N 1 2 358.467 1.834 40 0 FDABLO O=C(C[C@H]1C[C@H]2C[N@@H+](Cc3nccs3)C[C@H]2O1)NCc1ccccn1 ZINC000096220112 525152800 /nfs/dbraw/zinc/15/28/00/525152800.db2.gz ZZCOLASFCNEWQG-NUEKZKHPSA-N 1 2 358.467 1.834 40 0 FDABLO O=C(N[C@@H]1CCO[C@]2(CC[N@H+](Cc3nccs3)C2)C1)c1cnccn1 ZINC000096217188 525152876 /nfs/dbraw/zinc/15/28/76/525152876.db2.gz FIFRJPKTCHJIKC-CXAGYDPISA-N 1 2 359.455 1.487 40 0 FDABLO O=C(N[C@@H]1CCO[C@]2(CC[N@@H+](Cc3nccs3)C2)C1)c1cnccn1 ZINC000096217188 525152883 /nfs/dbraw/zinc/15/28/83/525152883.db2.gz FIFRJPKTCHJIKC-CXAGYDPISA-N 1 2 359.455 1.487 40 0 FDABLO CS(=O)(=O)NC[C@@H]1CN(C(=O)CC2=CCCCC2)Cc2c[nH+]cn21 ZINC000247503972 537126830 /nfs/dbraw/zinc/12/68/30/537126830.db2.gz GKOHQBZVRUNCFJ-OAHLLOKOSA-N 1 2 352.460 1.206 40 0 FDABLO COCC(=O)NC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000247824506 537153376 /nfs/dbraw/zinc/15/33/76/537153376.db2.gz JAEYWLBLVSKYKG-AWEZNQCLSA-N 1 2 364.396 1.556 40 0 FDABLO COCC(=O)NC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000247824506 537153378 /nfs/dbraw/zinc/15/33/78/537153378.db2.gz JAEYWLBLVSKYKG-AWEZNQCLSA-N 1 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ZINC000306123776 537601206 /nfs/dbraw/zinc/60/12/06/537601206.db2.gz AWJAUMPQCRFYIS-UYAOXDASSA-N 1 2 356.470 1.522 40 0 FDABLO Cc1ncsc1CN1Cc2c[nH+]cn2[C@@H](CCNS(C)(=O)=O)C1 ZINC000306129327 537602214 /nfs/dbraw/zinc/60/22/14/537602214.db2.gz IASRPLRHFGHRIZ-LBPRGKRZSA-N 1 2 355.489 1.144 40 0 FDABLO Cc1cncc(OC[C@@H]2Cc3c([nH+]cn3C)CN2Cc2ccccn2)n1 ZINC000585094991 551568165 /nfs/dbraw/zinc/56/81/65/551568165.db2.gz YOCHGLJMQVCTLB-INIZCTEOSA-N 1 2 350.426 1.919 40 0 FDABLO Cc1cc(C(=O)N2Cc3[nH+]cn(C)c3C[C@H]2COc2ncccn2)no1 ZINC000585094594 551568200 /nfs/dbraw/zinc/56/82/00/551568200.db2.gz DGZVCQVDWZNHLM-LBPRGKRZSA-N 1 2 354.370 1.153 40 0 FDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2COCc2ccccn2)[nH]n1 ZINC000585094789 551568337 /nfs/dbraw/zinc/56/83/37/551568337.db2.gz MXTLIEZAUDBHAN-KRWDZBQOSA-N 1 2 352.442 1.990 40 0 FDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2COCc2ccccn2)n[nH]1 ZINC000585094789 551568339 /nfs/dbraw/zinc/56/83/39/551568339.db2.gz MXTLIEZAUDBHAN-KRWDZBQOSA-N 1 2 352.442 1.990 40 0 FDABLO Cn1c[nH+]c2c1C[C@@H](COCc1ccncc1)N(C(=O)c1cocn1)C2 ZINC000585094903 551568531 /nfs/dbraw/zinc/56/85/31/551568531.db2.gz SZWYEUQUKUCBQX-AWEZNQCLSA-N 1 2 353.382 1.587 40 0 FDABLO CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)[C@H]2CCOC2)CC3)c1 ZINC000585111038 551573482 /nfs/dbraw/zinc/57/34/82/551573482.db2.gz BCMZHDXCFIYVRK-INIZCTEOSA-N 1 2 368.437 1.930 40 0 FDABLO Cc1nc(C(=O)N2CCc3[nH+]cc(CNC(=O)CC4CC4)n3CC2)cs1 ZINC000585110621 551573820 /nfs/dbraw/zinc/57/38/20/551573820.db2.gz MIDFEQOAROGDRZ-UHFFFAOYSA-N 1 2 373.482 1.763 40 0 FDABLO C[N@H+](CC(=O)N1CC[C@H](O)[C@H](Cc2ccccc2)C1)Cc1ccncc1 ZINC000585275259 551576915 /nfs/dbraw/zinc/57/69/15/551576915.db2.gz BIMZYXGKPQENKX-UXHICEINSA-N 1 2 353.466 1.966 40 0 FDABLO C[N@@H+](CC(=O)N1CC[C@H](O)[C@H](Cc2ccccc2)C1)Cc1ccncc1 ZINC000585275259 551576918 /nfs/dbraw/zinc/57/69/18/551576918.db2.gz BIMZYXGKPQENKX-UXHICEINSA-N 1 2 353.466 1.966 40 0 FDABLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585291500 551580384 /nfs/dbraw/zinc/58/03/84/551580384.db2.gz PITRGHIRACLMDD-NSPXQGLOSA-N 1 2 360.454 1.352 40 0 FDABLO C[C@@H]1c2nc(CC(=O)NCc3ccco3)cn2CC[N@H+]1Cc1cnn(C)c1 ZINC000306134676 571038988 /nfs/dbraw/zinc/03/89/88/571038988.db2.gz NVDGMZYOJWAZDV-CQSZACIVSA-N 1 2 368.441 1.645 40 0 FDABLO C[C@@H]1c2nc(CC(=O)NCc3ccco3)cn2CC[N@@H+]1Cc1cnn(C)c1 ZINC000306134676 571038989 /nfs/dbraw/zinc/03/89/89/571038989.db2.gz NVDGMZYOJWAZDV-CQSZACIVSA-N 1 2 368.441 1.645 40 0 FDABLO COCCN1CC[C@]2(CN(C(=O)C3CC3)C[C@@H]2c2cn(C(C)C)c[nH+]2)C1=O ZINC000306140742 571041560 /nfs/dbraw/zinc/04/15/60/571041560.db2.gz VCVZPPFHNNWOCH-OXQOHEQNSA-N 1 2 374.485 1.665 40 0 FDABLO OCCNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(C2CC2)[nH+]1 ZINC000328973677 571132814 /nfs/dbraw/zinc/13/28/14/571132814.db2.gz FCKAIDXFBFYBCV-UHFFFAOYSA-N 1 2 355.442 2.338 40 0 FDABLO CCN1C(=O)N(CC(C)C)C[C@@]12C[N@H+](Cc1nccs1)CC[C@@H]2O ZINC000257208640 571150272 /nfs/dbraw/zinc/15/02/72/571150272.db2.gz BMZAKCZJHYCGBG-WMLDXEAASA-N 1 2 352.504 1.862 40 0 FDABLO CCN1C(=O)N(CC(C)C)C[C@@]12C[N@@H+](Cc1nccs1)CC[C@@H]2O ZINC000257208640 571150275 /nfs/dbraw/zinc/15/02/75/571150275.db2.gz BMZAKCZJHYCGBG-WMLDXEAASA-N 1 2 352.504 1.862 40 0 FDABLO C[C@]1(COc2cccnc2)C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]2O1 ZINC000257289016 571158599 /nfs/dbraw/zinc/15/85/99/571158599.db2.gz PWQOFDSXGZHUHA-HHXXYDBFSA-N 1 2 356.426 1.753 40 0 FDABLO Cc1cc2nc(C3CCN(C(=O)CCn4cc[nH+]c4)CC3)cc(=O)n2[nH]1 ZINC000257301545 571159566 /nfs/dbraw/zinc/15/95/66/571159566.db2.gz RYXIJDAUFOZEFJ-UHFFFAOYSA-N 1 2 354.414 1.736 40 0 FDABLO Cc1cn(C)c([C@@H]2CN(C(=O)Cn3c(C)[nH+]c4ccccc43)CCO2)n1 ZINC000257319108 571161392 /nfs/dbraw/zinc/16/13/92/571161392.db2.gz VQUJOBIJXARVGY-KRWDZBQOSA-N 1 2 353.426 1.987 40 0 FDABLO OC[C@@H]1O[C@H](n2ccc3c2nc[nH+]c3SCc2ccccc2)[C@@H](O)[C@@H]1O ZINC000004775768 204163254 /nfs/dbraw/zinc/16/32/54/204163254.db2.gz XAYGKALBZYZZRV-KRXQYRFLSA-N 1 2 373.434 1.335 40 0 FDABLO COc1ccc(CN2C[C@H]3CN(Cc4[nH+]ccn4C)CCN3C2=O)cc1 ZINC000085436195 205170426 /nfs/dbraw/zinc/17/04/26/205170426.db2.gz UQLFUHXUOUYPHR-MRXNPFEDSA-N 1 2 355.442 1.551 40 0 biogenic,in-vitro FDABLO CSc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)n1C ZINC000005001463 206187028 /nfs/dbraw/zinc/18/70/28/206187028.db2.gz GXKGILMXTCSLCW-SNVBAGLBSA-N 1 2 352.489 1.812 40 0 FDABLO CSc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)n1C ZINC000005001463 206187033 /nfs/dbraw/zinc/18/70/33/206187033.db2.gz GXKGILMXTCSLCW-SNVBAGLBSA-N 1 2 352.489 1.812 40 0 FDABLO C[N@H+]1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012529833 206292360 /nfs/dbraw/zinc/29/23/60/206292360.db2.gz HENJWRSMPSKISI-ZFWWWQNUSA-N 1 2 350.382 1.702 40 0 biogenic,in-vitro FDABLO C[N@@H+]1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012529833 206292356 /nfs/dbraw/zinc/29/23/56/206292356.db2.gz HENJWRSMPSKISI-ZFWWWQNUSA-N 1 2 350.382 1.702 40 0 biogenic,in-vitro FDABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1CC[NH+]1CCOCC1 ZINC000223126501 206431938 /nfs/dbraw/zinc/43/19/38/206431938.db2.gz ZZQKIMIVRWNTQJ-DLBZAZTESA-N 1 2 357.483 1.714 40 0 FDABLO Cc1nn(C)cc1CCC(=O)N(C)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257224916 206602765 /nfs/dbraw/zinc/60/27/65/206602765.db2.gz FDXXRQXQBSSMPE-LJQANCHMSA-N 1 2 357.458 1.156 40 0 FDABLO Cc1nn(-c2ccc(Br)cc2)nc1C(=O)N1CC[NH+](C)CC1 ZINC000059843332 221128027 /nfs/dbraw/zinc/12/80/27/221128027.db2.gz NCGCFPKPJKTIPU-UHFFFAOYSA-N 1 2 364.247 1.726 40 0 FDABLO CC[N@@H+]1C[C@@H]2c3nc(N4CCC[C@@H](C)C4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000253604319 132294434 /nfs/dbraw/zinc/29/44/34/132294434.db2.gz YLOGBEBLZNAJHA-VHDGCEQUSA-N 1 2 350.488 1.429 40 0 FDABLO CC[N@H+]1C[C@@H]2c3nc(N4CCC[C@@H](C)C4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000253604319 132294435 /nfs/dbraw/zinc/29/44/35/132294435.db2.gz YLOGBEBLZNAJHA-VHDGCEQUSA-N 1 2 350.488 1.429 40 0 FDABLO Cc1noc(C)c1CCC(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257214756 132295170 /nfs/dbraw/zinc/29/51/70/132295170.db2.gz CNHVAGLWBJGENM-LJQANCHMSA-N 1 2 358.442 1.767 40 0 FDABLO CCn1cc(C(=O)N(C)C[C@]2(O)CCCN(c3cccc[nH+]3)C2)c(C)n1 ZINC000257293586 132296725 /nfs/dbraw/zinc/29/67/25/132296725.db2.gz QQGABBWUSQLYLM-LJQANCHMSA-N 1 2 357.458 1.710 40 0 FDABLO O=C(NC[C@]1(O)CCCN(c2cccc[nH+]2)C1)c1noc2c1CCCC2 ZINC000257296251 132296767 /nfs/dbraw/zinc/29/67/67/132296767.db2.gz RBXDUVPFMHJFBW-LJQANCHMSA-N 1 2 356.426 1.710 40 0 FDABLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCc1nc2cc(Cl)ccc2n1C ZINC000019714211 518830102 /nfs/dbraw/zinc/83/01/02/518830102.db2.gz GHOWWKMSBXCGBQ-ZDUSSCGKSA-N 1 2 364.877 1.996 40 0 FDABLO COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(N(C)C)n1)C[N@H+](C)CC2 ZINC000019752341 518836291 /nfs/dbraw/zinc/83/62/91/518836291.db2.gz DWZTVQNZPCBYID-MRXNPFEDSA-N 1 2 361.490 1.621 40 0 FDABLO COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(N(C)C)n1)C[N@@H+](C)CC2 ZINC000019752341 518836296 /nfs/dbraw/zinc/83/62/96/518836296.db2.gz DWZTVQNZPCBYID-MRXNPFEDSA-N 1 2 361.490 1.621 40 0 FDABLO CCOc1ccc2c(c1)c(=O)c(C(=O)NCCCn1cc[nH+]c1)cn2C ZINC000022237394 518895825 /nfs/dbraw/zinc/89/58/25/518895825.db2.gz UJQDGNRNHCOMBQ-UHFFFAOYSA-N 1 2 354.410 1.954 40 0 FDABLO CC(=O)NCc1cnc([C@@H]2CCC[N@H+]2CC(=O)N(C)C)cc1C(F)(F)F ZINC000072356131 522225788 /nfs/dbraw/zinc/22/57/88/522225788.db2.gz KLRQZDRFRVLVOB-HNNXBMFYSA-N 1 2 372.391 1.962 40 0 FDABLO CC(=O)NCc1cnc([C@@H]2CCC[N@@H+]2CC(=O)N(C)C)cc1C(F)(F)F ZINC000072356131 522225798 /nfs/dbraw/zinc/22/57/98/522225798.db2.gz KLRQZDRFRVLVOB-HNNXBMFYSA-N 1 2 372.391 1.962 40 0 FDABLO CCn1cc[nH+]c1CN1CCCC[C@@H]1c1cc(C(=O)N2CCOCC2)n[nH]1 ZINC000072380582 522228578 /nfs/dbraw/zinc/22/85/78/522228578.db2.gz DNBPZTJQFMOZBG-QGZVFWFLSA-N 1 2 372.473 1.826 40 0 FDABLO Cc1cccc(CN2Cc3[nH+]cn(C)c3[C@@H](COCC(=O)N(C)C)C2)n1 ZINC000096044879 525128374 /nfs/dbraw/zinc/12/83/74/525128374.db2.gz FTKBFLSGJMLSON-OAHLLOKOSA-N 1 2 357.458 1.328 40 0 FDABLO Cc1noc(C)c1C[N@@H+]1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC000096057956 525129199 /nfs/dbraw/zinc/12/91/99/525129199.db2.gz QRVLGGLGELETMY-YQVWRLOYSA-N 1 2 363.458 1.662 40 0 FDABLO Cc1noc(C)c1C[N@H+]1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC000096057956 525129207 /nfs/dbraw/zinc/12/92/07/525129207.db2.gz QRVLGGLGELETMY-YQVWRLOYSA-N 1 2 363.458 1.662 40 0 FDABLO O=C(c1cscn1)N1CCO[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC000096108091 525134694 /nfs/dbraw/zinc/13/46/94/525134694.db2.gz ILJOIHWYVGLYAX-DGCLKSJQSA-N 1 2 350.469 1.573 40 0 FDABLO O=C(c1cscn1)N1CCO[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC000096108091 525134702 /nfs/dbraw/zinc/13/47/02/525134702.db2.gz ILJOIHWYVGLYAX-DGCLKSJQSA-N 1 2 350.469 1.573 40 0 FDABLO Cn1cccc1C(=O)N1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096158801 525144966 /nfs/dbraw/zinc/14/49/66/525144966.db2.gz CVFNQPNAJZQSLB-UHFFFAOYSA-N 1 2 354.454 1.927 40 0 FDABLO Cn1cccc1C(=O)N1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096158801 525144969 /nfs/dbraw/zinc/14/49/69/525144969.db2.gz CVFNQPNAJZQSLB-UHFFFAOYSA-N 1 2 354.454 1.927 40 0 FDABLO O=C(NC[C@H]1CCC2(C[NH+](Cc3ccccn3)C2)OC1)c1cccnc1 ZINC000247460650 537120684 /nfs/dbraw/zinc/12/06/84/537120684.db2.gz AQUQNKMLEHJZLE-MRXNPFEDSA-N 1 2 352.438 1.888 40 0 FDABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](OCC(=O)N3CCCC3)C2)n(C)n1 ZINC000248059914 537165018 /nfs/dbraw/zinc/16/50/18/537165018.db2.gz UFQVOVOJSGGPDI-IBGZPJMESA-N 1 2 371.485 1.553 40 0 FDABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](OCC(=O)N3CCCC3)C2)n(C)n1 ZINC000248059914 537165020 /nfs/dbraw/zinc/16/50/20/537165020.db2.gz UFQVOVOJSGGPDI-IBGZPJMESA-N 1 2 371.485 1.553 40 0 FDABLO Cc1ccc(CN2Cc3c[nH+]cn3[C@H](CCNS(C)(=O)=O)C2)s1 ZINC000248088971 537166034 /nfs/dbraw/zinc/16/60/34/537166034.db2.gz KZGGZSONGPCHIO-CYBMUJFWSA-N 1 2 354.501 1.749 40 0 FDABLO COc1ccc(C[N@H+]2Cc3ncnn3C[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000306124747 537600302 /nfs/dbraw/zinc/60/03/02/537600302.db2.gz BYHJTDCQYFJGBH-INIZCTEOSA-N 1 2 355.442 1.541 40 0 FDABLO COc1ccc(C[N@@H+]2Cc3ncnn3C[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000306124747 537600309 /nfs/dbraw/zinc/60/03/09/537600309.db2.gz BYHJTDCQYFJGBH-INIZCTEOSA-N 1 2 355.442 1.541 40 0 FDABLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1sccc1Cl ZINC000285407763 537704661 /nfs/dbraw/zinc/70/46/61/537704661.db2.gz FOPAJFWEXAUQSD-LLVKDONJSA-N 1 2 357.863 1.064 40 0 FDABLO C[C@@H]1c2nc(C(=O)N3CC(F)(F)C3)cn2CC[N@H+]1CC1CCOCC1 ZINC000306134565 571039249 /nfs/dbraw/zinc/03/92/49/571039249.db2.gz NSBOVEHEHAGMOI-GFCCVEGCSA-N 1 2 354.401 1.777 40 0 FDABLO C[C@@H]1c2nc(C(=O)N3CC(F)(F)C3)cn2CC[N@@H+]1CC1CCOCC1 ZINC000306134565 571039251 /nfs/dbraw/zinc/03/92/51/571039251.db2.gz NSBOVEHEHAGMOI-GFCCVEGCSA-N 1 2 354.401 1.777 40 0 FDABLO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@H](CNC(=O)c3cnccn3)C2)o1 ZINC000306135632 571039503 /nfs/dbraw/zinc/03/95/03/571039503.db2.gz OWHCPCBKTWRYGM-OAHLLOKOSA-N 1 2 366.425 1.637 40 0 FDABLO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@H](CNC(=O)c3cnccn3)C2)o1 ZINC000306135632 571039504 /nfs/dbraw/zinc/03/95/04/571039504.db2.gz OWHCPCBKTWRYGM-OAHLLOKOSA-N 1 2 366.425 1.637 40 0 FDABLO C[C@@H](CO)Nc1nc(NCc2cccc(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000328962555 571104977 /nfs/dbraw/zinc/10/49/77/571104977.db2.gz BISDKVZRDZHKRQ-ZDUSSCGKSA-N 1 2 353.401 1.926 40 0 FDABLO COc1cccc(CNc2cc(-c3ccncc3)[nH+]c(N[C@@H](C)CO)n2)c1 ZINC000329036610 571108189 /nfs/dbraw/zinc/10/81/89/571108189.db2.gz RKHJZGCTWZZSTK-AWEZNQCLSA-N 1 2 365.437 1.796 40 0 FDABLO CCS(=O)(=O)NCC[C@@H]1Cn2nccc2C[N@H+](Cc2ccoc2)C1 ZINC000253489429 571135812 /nfs/dbraw/zinc/13/58/12/571135812.db2.gz FFIHIOQZQFSLPF-AWEZNQCLSA-N 1 2 352.460 1.438 40 0 FDABLO CCS(=O)(=O)NCC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccoc2)C1 ZINC000253489429 571135813 /nfs/dbraw/zinc/13/58/13/571135813.db2.gz FFIHIOQZQFSLPF-AWEZNQCLSA-N 1 2 352.460 1.438 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)c2ccc(C)nc2)CC[N@@H+]1CCc1ccccc1 ZINC000257213946 571150901 /nfs/dbraw/zinc/15/09/01/571150901.db2.gz CJURYRLOONQMTE-IBGZPJMESA-N 1 2 366.465 1.505 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)c2ccc(C)nc2)CC[N@H+]1CCc1ccccc1 ZINC000257213946 571150903 /nfs/dbraw/zinc/15/09/03/571150903.db2.gz CJURYRLOONQMTE-IBGZPJMESA-N 1 2 366.465 1.505 40 0 FDABLO Cn1ccnc1C(=O)N1CCC[C@@H]1c1ccnc(C[NH+]2CCOCC2)c1 ZINC000257239787 571153319 /nfs/dbraw/zinc/15/33/19/571153319.db2.gz HQTRFWWTSPBDDR-QGZVFWFLSA-N 1 2 355.442 1.625 40 0 FDABLO c1cc(CC[C@@H]2C[N@H+](Cc3ccnc(N4CCCC4)n3)CCO2)ncn1 ZINC000257258330 571155107 /nfs/dbraw/zinc/15/51/07/571155107.db2.gz KTJIBRDRXPWHHW-GOSISDBHSA-N 1 2 354.458 1.700 40 0 FDABLO c1cc(CC[C@@H]2C[N@@H+](Cc3ccnc(N4CCCC4)n3)CCO2)ncn1 ZINC000257258330 571155108 /nfs/dbraw/zinc/15/51/08/571155108.db2.gz KTJIBRDRXPWHHW-GOSISDBHSA-N 1 2 354.458 1.700 40 0 FDABLO Cc1cc(C)n(CCCC(=O)NC[C@@]2(O)CCN(c3cccc[nH+]3)C2)n1 ZINC000257260368 571155413 /nfs/dbraw/zinc/15/54/13/571155413.db2.gz LCOAXXJVTLTDEG-IBGZPJMESA-N 1 2 357.458 1.433 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)CCOc2ccccc2F)CC[N@@H+]1C(C)C ZINC000257264349 571155618 /nfs/dbraw/zinc/15/56/18/571155618.db2.gz LTZWWDNNGDTTJO-HNNXBMFYSA-N 1 2 351.422 1.262 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)CCOc2ccccc2F)CC[N@H+]1C(C)C ZINC000257264349 571155619 /nfs/dbraw/zinc/15/56/19/571155619.db2.gz LTZWWDNNGDTTJO-HNNXBMFYSA-N 1 2 351.422 1.262 40 0 FDABLO CC(C)Cc1cc(C(=O)N(C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)on1 ZINC000257326631 571162325 /nfs/dbraw/zinc/16/23/25/571162325.db2.gz WXYOTBJCWIQQKM-LJQANCHMSA-N 1 2 358.442 1.982 40 0 FDABLO Cn1nccc1C(=O)N1CCC[C@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257327272 571162382 /nfs/dbraw/zinc/16/23/82/571162382.db2.gz XASYMTVHXZRIJI-KRWDZBQOSA-N 1 2 355.442 1.625 40 0 FDABLO Cc1cc(C)nc([C@@H]2CN(C(=O)C[N@@H+](C)Cc3cccnc3)CCO2)n1 ZINC000257329950 571162712 /nfs/dbraw/zinc/16/27/12/571162712.db2.gz XMDPUUCAJGPLAG-KRWDZBQOSA-N 1 2 355.442 1.520 40 0 FDABLO Cc1cc(C)nc([C@@H]2CN(C(=O)C[N@H+](C)Cc3cccnc3)CCO2)n1 ZINC000257329950 571162713 /nfs/dbraw/zinc/16/27/13/571162713.db2.gz XMDPUUCAJGPLAG-KRWDZBQOSA-N 1 2 355.442 1.520 40 0 FDABLO Cc1nn(C)c2nc(N)[nH+]c(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)c12 ZINC000250951718 571174247 /nfs/dbraw/zinc/17/42/47/571174247.db2.gz GSZCWZVSAVPVOW-JTQLQIEISA-N 1 2 361.450 1.700 40 0 FDABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cc(C)ccc3OC)C2=O)C1 ZINC000250659165 890680348 /nfs/dbraw/zinc/68/03/48/890680348.db2.gz DGGODKVUHYOOCK-HOCLYGCPSA-N 1 2 374.437 1.911 40 0 FDABLO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cc(C)ccc3OC)C2=O)C1 ZINC000250659165 890680354 /nfs/dbraw/zinc/68/03/54/890680354.db2.gz DGGODKVUHYOOCK-HOCLYGCPSA-N 1 2 374.437 1.911 40 0 FDABLO Cc1nn([C@H](C)C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1Br ZINC000022276782 206335353 /nfs/dbraw/zinc/33/53/53/206335353.db2.gz CISMAEPXBRHKCE-ZYHUDNBSSA-N 1 2 359.268 1.352 40 0 FDABLO Cn1cccc1C(=O)NC[C@H]1CCC2(C[NH+](Cc3cccnc3)C2)OC1 ZINC000248104521 206569462 /nfs/dbraw/zinc/56/94/62/206569462.db2.gz FNMCQSQLAJXKBM-QGZVFWFLSA-N 1 2 354.454 1.831 40 0 FDABLO Fc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC000096229427 132223105 /nfs/dbraw/zinc/22/31/05/132223105.db2.gz CKVSGDXHJYWXHV-SFHVURJKSA-N 1 2 359.405 1.119 40 0 FDABLO Fc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC000096229427 132223106 /nfs/dbraw/zinc/22/31/06/132223106.db2.gz CKVSGDXHJYWXHV-SFHVURJKSA-N 1 2 359.405 1.119 40 0 FDABLO Cc1noc(C)c1CCC(=O)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257214755 132295130 /nfs/dbraw/zinc/29/51/30/132295130.db2.gz CNHVAGLWBJGENM-IBGZPJMESA-N 1 2 358.442 1.767 40 0 FDABLO CN(C[C@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)CCCn1cccn1 ZINC000257254534 132295936 /nfs/dbraw/zinc/29/59/36/132295936.db2.gz KDNSQQONQSVGIE-LJQANCHMSA-N 1 2 357.458 1.548 40 0 FDABLO CN(C[C@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)CCc1ccnn1C ZINC000257271787 132296473 /nfs/dbraw/zinc/29/64/73/132296473.db2.gz MZTNKVVEWHKIGF-LJQANCHMSA-N 1 2 357.458 1.238 40 0 FDABLO CC[C@@H](C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc[nH+]1 ZINC000329022122 132372498 /nfs/dbraw/zinc/37/24/98/132372498.db2.gz OKVQGENPYHWGRK-GFCCVEGCSA-N 1 2 361.471 1.897 40 0 FDABLO CC[C@@H](C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]cn1 ZINC000329022122 132372499 /nfs/dbraw/zinc/37/24/99/132372499.db2.gz OKVQGENPYHWGRK-GFCCVEGCSA-N 1 2 361.471 1.897 40 0 FDABLO CCOC(=O)Nc1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1OCC ZINC000408588670 263476897 /nfs/dbraw/zinc/47/68/97/263476897.db2.gz XQDSIPBTWCHNSA-UHFFFAOYSA-N 1 2 371.459 1.590 40 0 FDABLO Cc1cccnc1C[NH+]1CCN(C(=O)COc2ccc3c(c2)OCO3)CC1 ZINC000019237809 518806755 /nfs/dbraw/zinc/80/67/55/518806755.db2.gz QPUNKPYYBHCXEJ-UHFFFAOYSA-N 1 2 369.421 1.842 40 0 FDABLO CCOC(=O)[C@@]1(CC)[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000019500764 518814175 /nfs/dbraw/zinc/81/41/75/518814175.db2.gz HSGRKWCSKYMMPD-ULMVMLMRSA-N 1 2 374.437 1.673 40 0 FDABLO CCOc1ccc2c(c1)c(=O)c(C(=O)NCCC[NH+]1CCOCC1)cn2C ZINC000022237409 518895346 /nfs/dbraw/zinc/89/53/46/518895346.db2.gz FBDMZSDZYGGUST-UHFFFAOYSA-N 1 2 373.453 1.389 40 0 FDABLO COCCn1nnnc1[C@@H](C(C)C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000035310992 519603173 /nfs/dbraw/zinc/60/31/73/519603173.db2.gz FGUFDXDLDKDSSR-GOSISDBHSA-N 1 2 374.489 1.847 40 0 FDABLO CCOc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1OCC ZINC000038372521 519634117 /nfs/dbraw/zinc/63/41/17/519634117.db2.gz IEQOAPMAOMKNFC-UHFFFAOYSA-N 1 2 372.487 1.485 40 0 FDABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000245230232 521304232 /nfs/dbraw/zinc/30/42/32/521304232.db2.gz NQUHMJFFFHSEEE-ZTENYAIWSA-N 1 2 360.410 1.370 40 0 FDABLO CCOC(=O)[C@]1(CC)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000245230410 521353678 /nfs/dbraw/zinc/35/36/78/521353678.db2.gz QXYJPYRNFVYREE-NXEZDXNNSA-N 1 2 360.410 1.282 40 0 FDABLO Cc1nc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)N4CCOCC4)O[C@@H]3C2)cs1 ZINC000096042938 525124428 /nfs/dbraw/zinc/12/44/28/525124428.db2.gz NONPODKKNHRHHF-CWRNSKLLSA-N 1 2 351.472 1.290 40 0 FDABLO Cc1nc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)N4CCOCC4)O[C@@H]3C2)cs1 ZINC000096042938 525124437 /nfs/dbraw/zinc/12/44/37/525124437.db2.gz NONPODKKNHRHHF-CWRNSKLLSA-N 1 2 351.472 1.290 40 0 FDABLO COc1ncccc1C(=O)N1Cc2[nH+]cn(C)c2[C@H](COCC2CC2)C1 ZINC000096044948 525126591 /nfs/dbraw/zinc/12/65/91/525126591.db2.gz CYVAQGYRSJZVFX-AWEZNQCLSA-N 1 2 356.426 1.990 40 0 FDABLO O=C(c1cnccn1)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC000096230223 525153965 /nfs/dbraw/zinc/15/39/65/525153965.db2.gz PFIRBKVCTNTLPP-UHFFFAOYSA-N 1 2 365.437 1.083 40 0 FDABLO O=C(c1cnccn1)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC000096230223 525153976 /nfs/dbraw/zinc/15/39/76/525153976.db2.gz PFIRBKVCTNTLPP-UHFFFAOYSA-N 1 2 365.437 1.083 40 0 FDABLO Cc1cccc(C[NH+]2CC3(C2)CC[C@@H](CNC(=O)c2cnccn2)CO3)n1 ZINC000247882468 537156164 /nfs/dbraw/zinc/15/61/64/537156164.db2.gz RNWBBGYYXUWIFC-INIZCTEOSA-N 1 2 367.453 1.591 40 0 FDABLO Cn1nccc1C(=O)NCC[C@@H]1CCOC12C[NH+](Cc1cccs1)C2 ZINC000248007293 537162891 /nfs/dbraw/zinc/16/28/91/537162891.db2.gz CORIBVOSPFKQNG-CQSZACIVSA-N 1 2 360.483 1.893 40 0 FDABLO Cc1ccsc1C[N@@H+]1Cc2ncn(C)c2[C@H](C(=O)N2CCOCC2)C1 ZINC000248036748 537163978 /nfs/dbraw/zinc/16/39/78/537163978.db2.gz MYKGCCBUGMWRDZ-CQSZACIVSA-N 1 2 360.483 1.748 40 0 FDABLO Cc1ccsc1C[N@H+]1Cc2ncn(C)c2[C@H](C(=O)N2CCOCC2)C1 ZINC000248036748 537163980 /nfs/dbraw/zinc/16/39/80/537163980.db2.gz MYKGCCBUGMWRDZ-CQSZACIVSA-N 1 2 360.483 1.748 40 0 FDABLO CCS(=O)(=O)NCC[C@@H]1CCOC12C[NH+](Cc1scnc1C)C2 ZINC000248066848 537165471 /nfs/dbraw/zinc/16/54/71/537165471.db2.gz XFAKLWZCEUYSRL-CYBMUJFWSA-N 1 2 359.517 1.372 40 0 FDABLO CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222824500 537513283 /nfs/dbraw/zinc/51/32/83/537513283.db2.gz MGHSTQNRHGIHNU-CQSZACIVSA-N 1 2 367.877 1.525 40 0 FDABLO COc1ncccc1C[N@@H+]1CC[C@@]2(CN(S(C)(=O)=O)c3cccnc32)C1 ZINC000306126801 537600462 /nfs/dbraw/zinc/60/04/62/537600462.db2.gz FFOZRACFDYQFNN-SFHVURJKSA-N 1 2 374.466 1.409 40 0 FDABLO COc1ncccc1C[N@H+]1CC[C@@]2(CN(S(C)(=O)=O)c3cccnc32)C1 ZINC000306126801 537600468 /nfs/dbraw/zinc/60/04/68/537600468.db2.gz FFOZRACFDYQFNN-SFHVURJKSA-N 1 2 374.466 1.409 40 0 FDABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)COc1ccccc1OC ZINC000585094907 551568567 /nfs/dbraw/zinc/56/85/67/551568567.db2.gz TYPZOSPPXOXPAA-AWEZNQCLSA-N 1 2 359.426 1.798 40 0 FDABLO Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@@H](C(=O)N3CCCCO3)C2)c1 ZINC000585096137 551568861 /nfs/dbraw/zinc/56/88/61/551568861.db2.gz UFMMLIDDTNKXTO-QGZVFWFLSA-N 1 2 354.410 1.943 40 0 FDABLO O=S(=O)(NC[C@@H]1CCC2(C[NH+](Cc3ccncc3)C2)OC1)C1CC1 ZINC000585104305 551572135 /nfs/dbraw/zinc/57/21/35/551572135.db2.gz GZKACFVDLPJGDK-HNNXBMFYSA-N 1 2 351.472 1.144 40 0 FDABLO Cc1cccc(OC[C@]2(O)CCC[N@@H+](CC(=O)Nc3cnn(C)c3)C2)c1 ZINC000585276564 551577426 /nfs/dbraw/zinc/57/74/26/551577426.db2.gz MTFCCLLHGJNQAW-IBGZPJMESA-N 1 2 358.442 1.573 40 0 FDABLO Cc1cccc(OC[C@]2(O)CCC[N@H+](CC(=O)Nc3cnn(C)c3)C2)c1 ZINC000585276564 551577428 /nfs/dbraw/zinc/57/74/28/551577428.db2.gz MTFCCLLHGJNQAW-IBGZPJMESA-N 1 2 358.442 1.573 40 0 FDABLO COc1ccc(C[N@@H+]2C[C@H]3NS(=O)(=O)c4ccccc4O[C@H]3C2)cc1 ZINC000514289047 560033525 /nfs/dbraw/zinc/03/35/25/560033525.db2.gz FMNNNIVNOBOXFO-WBVHZDCISA-N 1 2 360.435 1.619 40 0 biogenic,in-vitro FDABLO COc1ccc(C[N@H+]2C[C@H]3NS(=O)(=O)c4ccccc4O[C@H]3C2)cc1 ZINC000514289047 560033526 /nfs/dbraw/zinc/03/35/26/560033526.db2.gz FMNNNIVNOBOXFO-WBVHZDCISA-N 1 2 360.435 1.619 40 0 biogenic,in-vitro FDABLO C[C@@]1(C(F)F)CN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000685938953 568434679 /nfs/dbraw/zinc/43/46/79/568434679.db2.gz QTYIMAWZQFQGKW-INIZCTEOSA-N 1 2 351.357 1.833 40 0 FDABLO C[C@@H](C(=O)NCCCn1cc[nH+]c1)N(c1ccccc1)S(C)(=O)=O ZINC000408622889 570588543 /nfs/dbraw/zinc/58/85/43/570588543.db2.gz WRJIXYJGAVXZGO-AWEZNQCLSA-N 1 2 350.444 1.244 40 0 FDABLO C[NH+]1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)n2N)CC1 ZINC000409171997 570735144 /nfs/dbraw/zinc/73/51/44/570735144.db2.gz AKXRSNUITZWTET-UHFFFAOYSA-N 1 2 366.878 1.178 40 0 FDABLO COC(=O)c1ccc(OC)c(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)c1 ZINC000328962569 571105035 /nfs/dbraw/zinc/10/50/35/571105035.db2.gz BJGOBVUOQWFPSG-UHFFFAOYSA-N 1 2 372.425 1.531 40 0 FDABLO OCCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329013955 571107070 /nfs/dbraw/zinc/10/70/70/571107070.db2.gz MSMOWOPDLLPERX-UHFFFAOYSA-N 1 2 357.364 1.677 40 0 FDABLO CCn1ncc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1F ZINC000253405985 571135761 /nfs/dbraw/zinc/13/57/61/571135761.db2.gz UBDXVXADJQHSKO-UHFFFAOYSA-N 1 2 352.435 1.549 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)CCCN(C)c2ccccc2)CC[N@@H+]1C(C)C ZINC000257214836 571150765 /nfs/dbraw/zinc/15/07/65/571150765.db2.gz CNPHCCZWUPDTQS-SFHVURJKSA-N 1 2 360.502 1.570 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)CCCN(C)c2ccccc2)CC[N@H+]1C(C)C ZINC000257214836 571150770 /nfs/dbraw/zinc/15/07/70/571150770.db2.gz CNPHCCZWUPDTQS-SFHVURJKSA-N 1 2 360.502 1.570 40 0 FDABLO Cc1ccc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@H]23)nn1 ZINC000257255209 571154686 /nfs/dbraw/zinc/15/46/86/571154686.db2.gz KGOAIHJHTBTUFY-IXDOHACOSA-N 1 2 354.458 1.745 40 0 FDABLO Cc1onc(C(C)C)c1C(=O)NC[C@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000257274395 571156855 /nfs/dbraw/zinc/15/68/55/571156855.db2.gz NKYJQWTZZCKHJQ-GOSISDBHSA-N 1 2 359.430 1.576 40 0 FDABLO O=S(=O)(c1cccnc1)N1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257284502 571158138 /nfs/dbraw/zinc/15/81/38/571158138.db2.gz PCYAEFZWBSVTQB-AWEZNQCLSA-N 1 2 370.438 1.626 40 0 FDABLO CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)C[N@@H+](C)Cc1ccccn1)C2 ZINC000257297893 571159260 /nfs/dbraw/zinc/15/92/60/571159260.db2.gz RJFYRJFNUWTAFZ-YOUFYPILSA-N 1 2 370.497 1.904 40 0 FDABLO CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)C[N@H+](C)Cc1ccccn1)C2 ZINC000257297893 571159261 /nfs/dbraw/zinc/15/92/61/571159261.db2.gz RJFYRJFNUWTAFZ-YOUFYPILSA-N 1 2 370.497 1.904 40 0 FDABLO C[NH+](C)Cc1ccnc([C@@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)n1 ZINC000257297589 571159300 /nfs/dbraw/zinc/15/93/00/571159300.db2.gz RHYQDXDWQRTCSM-INIZCTEOSA-N 1 2 351.414 1.787 40 0 FDABLO Cc1nc(C[N@@H+]2CC[C@@](C)(O)[C@H](n3cc(C)c(=O)[nH]c3=O)C2)cs1 ZINC000257306018 571160269 /nfs/dbraw/zinc/16/02/69/571160269.db2.gz SSNFUKGWYJRFIX-CZUORRHYSA-N 1 2 350.444 1.220 40 0 FDABLO Cc1nc(C[N@H+]2CC[C@@](C)(O)[C@H](n3cc(C)c(=O)[nH]c3=O)C2)cs1 ZINC000257306018 571160270 /nfs/dbraw/zinc/16/02/70/571160270.db2.gz SSNFUKGWYJRFIX-CZUORRHYSA-N 1 2 350.444 1.220 40 0 FDABLO Cn1cc(NC(=O)C[N@@H+]2CCC[C@@](O)(COc3ccc(F)cc3)C2)cn1 ZINC000257310550 571160863 /nfs/dbraw/zinc/16/08/63/571160863.db2.gz UFOLITVJGYWMEE-SFHVURJKSA-N 1 2 362.405 1.404 40 0 FDABLO Cn1cc(NC(=O)C[N@H+]2CCC[C@@](O)(COc3ccc(F)cc3)C2)cn1 ZINC000257310550 571160864 /nfs/dbraw/zinc/16/08/64/571160864.db2.gz UFOLITVJGYWMEE-SFHVURJKSA-N 1 2 362.405 1.404 40 0 FDABLO CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000041096126 205088692 /nfs/dbraw/zinc/08/86/92/205088692.db2.gz ILULUIMGPNVOJX-UHFFFAOYSA-N 1 2 356.488 1.507 40 0 FDABLO O=C(C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1)NCc1ccco1 ZINC000004909269 206185525 /nfs/dbraw/zinc/18/55/25/206185525.db2.gz FPJLACYGYIDTCX-UHFFFAOYSA-N 1 2 362.474 1.992 40 0 FDABLO O=C(C[N@@H+]1CCCN(c2ccccn2)CC1)N1CC(=O)Nc2ccccc21 ZINC000019658125 132890200 /nfs/dbraw/zinc/89/02/00/132890200.db2.gz RVAQHPZNOFSRFA-UHFFFAOYSA-N 1 2 365.437 1.579 40 0 FDABLO O=C(C[N@H+]1CCCN(c2ccccn2)CC1)N1CC(=O)Nc2ccccc21 ZINC000019658125 132890201 /nfs/dbraw/zinc/89/02/01/132890201.db2.gz RVAQHPZNOFSRFA-UHFFFAOYSA-N 1 2 365.437 1.579 40 0 FDABLO COCCN(CCOC)C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057711637 136130019 /nfs/dbraw/zinc/13/00/19/136130019.db2.gz LEXBMQGJWLNPPY-UHFFFAOYSA-N 1 2 353.438 1.069 40 0 FDABLO Cc1cccc(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)n1 ZINC000072335464 136144390 /nfs/dbraw/zinc/14/43/90/136144390.db2.gz TYGODDVGZVKNGB-GASCZTMLSA-N 1 2 369.469 1.645 40 0 FDABLO Cc1cccc(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)n1 ZINC000072335464 136144391 /nfs/dbraw/zinc/14/43/91/136144391.db2.gz TYGODDVGZVKNGB-GASCZTMLSA-N 1 2 369.469 1.645 40 0 FDABLO NC(=O)c1ccccc1NC(=O)C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000012113128 518587132 /nfs/dbraw/zinc/58/71/32/518587132.db2.gz JGRIRODGJQBGID-UHFFFAOYSA-N 1 2 371.412 1.847 40 0 FDABLO CN(C)c1ncc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cn1 ZINC000012122026 518589492 /nfs/dbraw/zinc/58/94/92/518589492.db2.gz PTOWRFTUARLAJZ-UHFFFAOYSA-N 1 2 363.425 1.659 40 0 FDABLO CN(C)c1ncc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cn1 ZINC000012122026 518589499 /nfs/dbraw/zinc/58/94/99/518589499.db2.gz PTOWRFTUARLAJZ-UHFFFAOYSA-N 1 2 363.425 1.659 40 0 FDABLO C[N@@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)c1cc(C3CC3)on1)CC2 ZINC000019706145 518827885 /nfs/dbraw/zinc/82/78/85/518827885.db2.gz LPCQYDOMDUCSAF-HNNXBMFYSA-N 1 2 370.457 1.999 40 0 FDABLO C[N@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)c1cc(C3CC3)on1)CC2 ZINC000019706145 518827893 /nfs/dbraw/zinc/82/78/93/518827893.db2.gz LPCQYDOMDUCSAF-HNNXBMFYSA-N 1 2 370.457 1.999 40 0 FDABLO COc1ncc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000072339910 522217548 /nfs/dbraw/zinc/21/75/48/522217548.db2.gz ZGNPHNNXIZXBKW-UHFFFAOYSA-N 1 2 350.382 1.601 40 0 FDABLO COc1ncc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000072339910 522217553 /nfs/dbraw/zinc/21/75/53/522217553.db2.gz ZGNPHNNXIZXBKW-UHFFFAOYSA-N 1 2 350.382 1.601 40 0 FDABLO Cc1noc(C)c1S(=O)(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000077615050 523395820 /nfs/dbraw/zinc/39/58/20/523395820.db2.gz VCYPMEHGYLJGFT-UHFFFAOYSA-N 1 2 365.455 1.602 40 0 FDABLO COC(=O)[C@]1(C(C)C)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000245230098 524006609 /nfs/dbraw/zinc/00/66/09/524006609.db2.gz LPXSMCWEPXOGPJ-KYZVSKTDSA-N 1 2 364.829 1.783 40 0 FDABLO O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000096055586 525127975 /nfs/dbraw/zinc/12/79/75/525127975.db2.gz NVMAKMKAKQWELG-KFWWJZLASA-N 1 2 351.472 1.418 40 0 FDABLO O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1 ZINC000096055586 525127981 /nfs/dbraw/zinc/12/79/81/525127981.db2.gz NVMAKMKAKQWELG-KFWWJZLASA-N 1 2 351.472 1.418 40 0 FDABLO Cn1ccnc1C[N@@H+]1CC[C@]2(C1)COCCN(C(=O)c1cccs1)C2 ZINC000096062378 525129951 /nfs/dbraw/zinc/12/99/51/525129951.db2.gz HQKBSICHJWKJJC-GOSISDBHSA-N 1 2 360.483 1.846 40 0 FDABLO Cn1ccnc1C[N@H+]1CC[C@]2(C1)COCCN(C(=O)c1cccs1)C2 ZINC000096062378 525129956 /nfs/dbraw/zinc/12/99/56/525129956.db2.gz HQKBSICHJWKJJC-GOSISDBHSA-N 1 2 360.483 1.846 40 0 FDABLO Cn1nnc2c1[C@@H](COCc1ccccn1)C[N@H+](Cc1cccnc1)C2 ZINC000096060778 525130013 /nfs/dbraw/zinc/13/00/13/525130013.db2.gz FVAFCVNZEAZGIW-MRXNPFEDSA-N 1 2 350.426 1.921 40 0 FDABLO Cn1nnc2c1[C@@H](COCc1ccccn1)C[N@@H+](Cc1cccnc1)C2 ZINC000096060778 525130023 /nfs/dbraw/zinc/13/00/23/525130023.db2.gz FVAFCVNZEAZGIW-MRXNPFEDSA-N 1 2 350.426 1.921 40 0 FDABLO CCS(=O)(=O)N1CC[C@@H](OC)[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21 ZINC000096209718 525148779 /nfs/dbraw/zinc/14/87/79/525148779.db2.gz KASBSVRTCLTZBT-RRFJBIMHSA-N 1 2 359.517 1.322 40 0 FDABLO CCS(=O)(=O)N1CC[C@@H](OC)[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21 ZINC000096209718 525148787 /nfs/dbraw/zinc/14/87/87/525148787.db2.gz KASBSVRTCLTZBT-RRFJBIMHSA-N 1 2 359.517 1.322 40 0 FDABLO O=S(=O)(N[C@H]1CCO[C@]2(CC[N@H+](Cc3nccs3)C2)C1)C1CC1 ZINC000096206244 525149072 /nfs/dbraw/zinc/14/90/72/525149072.db2.gz KHORXLXSIXPBDT-SWLSCSKDSA-N 1 2 357.501 1.348 40 0 FDABLO O=S(=O)(N[C@H]1CCO[C@]2(CC[N@@H+](Cc3nccs3)C2)C1)C1CC1 ZINC000096206244 525149081 /nfs/dbraw/zinc/14/90/81/525149081.db2.gz KHORXLXSIXPBDT-SWLSCSKDSA-N 1 2 357.501 1.348 40 0 FDABLO O=C(N[C@H]1CCO[C@]2(CC[N@H+](Cc3nccs3)C2)C1)c1cnccn1 ZINC000096209415 525150411 /nfs/dbraw/zinc/15/04/11/525150411.db2.gz FIFRJPKTCHJIKC-SUMWQHHRSA-N 1 2 359.455 1.487 40 0 FDABLO O=C(N[C@H]1CCO[C@]2(CC[N@@H+](Cc3nccs3)C2)C1)c1cnccn1 ZINC000096209415 525150421 /nfs/dbraw/zinc/15/04/21/525150421.db2.gz FIFRJPKTCHJIKC-SUMWQHHRSA-N 1 2 359.455 1.487 40 0 FDABLO COc1ccccc1C(=O)NC[C@]1(O)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257248589 536998300 /nfs/dbraw/zinc/99/83/00/536998300.db2.gz JEIBWEXPYQCOCN-LJQANCHMSA-N 1 2 356.426 1.555 40 0 FDABLO O=S1(=O)CC[C@@H](COc2ncccc2F)C12C[NH+](C1CCOCC1)C2 ZINC000247350127 537111824 /nfs/dbraw/zinc/11/18/24/537111824.db2.gz VXYNRMZLUOOPPK-ZDUSSCGKSA-N 1 2 370.446 1.268 40 0 FDABLO O=C(NC[C@@H]1CCC2(C[NH+](Cc3ccccn3)C2)OC1)c1cccnc1 ZINC000247460644 537120977 /nfs/dbraw/zinc/12/09/77/537120977.db2.gz AQUQNKMLEHJZLE-INIZCTEOSA-N 1 2 352.438 1.888 40 0 FDABLO Cc1ccsc1C[NH+]1CC2(C1)CN(C)[C@@H](C(=O)N1CCCCO1)CO2 ZINC000248098787 537166238 /nfs/dbraw/zinc/16/62/38/537166238.db2.gz ZKCSILZERLYGQP-OAHLLOKOSA-N 1 2 365.499 1.496 40 0 FDABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N[C@@H](C)C(C)C ZINC000225223310 537543851 /nfs/dbraw/zinc/54/38/51/537543851.db2.gz ZRTUFCBRYWQZSJ-HNNXBMFYSA-N 1 2 367.515 1.705 40 0 FDABLO O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCCn3cc[nH+]c3)ccc21 ZINC000225447029 537549228 /nfs/dbraw/zinc/54/92/28/537549228.db2.gz UBYIYNFGZQCRGY-UHFFFAOYSA-N 1 2 374.466 1.551 40 0 FDABLO CS(=O)(=O)CC[C@@H]([NH3+])c1nc([C@H](c2ccco2)n2cccc2)no1 ZINC000409442581 537850634 /nfs/dbraw/zinc/85/06/34/537850634.db2.gz XNBMDVYREYVGCN-YPMHNXCESA-N 1 2 350.400 1.536 40 0 FDABLO CCS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3cccc(F)c3)C2)OC1 ZINC000585103916 551572085 /nfs/dbraw/zinc/57/20/85/551572085.db2.gz DQKHMESOLUMHGE-HNNXBMFYSA-N 1 2 356.463 1.746 40 0 FDABLO Cn1ccc(CC(=O)N2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)n1 ZINC000585113556 551575046 /nfs/dbraw/zinc/57/50/46/551575046.db2.gz QHGVWIITEQQXFB-IBGZPJMESA-N 1 2 355.442 1.113 40 0 FDABLO CN(C)C(=O)[C@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CC[N@@H+]1C ZINC000585168383 551576043 /nfs/dbraw/zinc/57/60/43/551576043.db2.gz CBTVYJHGFABUSY-GOSISDBHSA-N 1 2 356.470 1.721 40 0 FDABLO CN(C)C(=O)[C@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CC[N@H+]1C ZINC000585168383 551576045 /nfs/dbraw/zinc/57/60/45/551576045.db2.gz CBTVYJHGFABUSY-GOSISDBHSA-N 1 2 356.470 1.721 40 0 FDABLO CC(C)C(=O)N1C[C@@H]2COCCN2C2(C[NH+](Cc3ccccc3F)C2)C1 ZINC000604381894 553870904 /nfs/dbraw/zinc/87/09/04/553870904.db2.gz UCOQFORZKITCBF-QGZVFWFLSA-N 1 2 361.461 1.579 40 0 biogenic,in-vitro FDABLO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(C3CCCC3)C2)C1 ZINC000514288961 560033790 /nfs/dbraw/zinc/03/37/90/560033790.db2.gz HKTWJBRDIBAVAI-VQTJNVASSA-N 1 2 369.509 1.504 40 0 biogenic,in-vitro FDABLO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(C3CCCC3)C2)C1 ZINC000514288961 560033792 /nfs/dbraw/zinc/03/37/92/560033792.db2.gz HKTWJBRDIBAVAI-VQTJNVASSA-N 1 2 369.509 1.504 40 0 biogenic,in-vitro FDABLO Cc1ncsc1CN1Cc2c[nH+]cn2[C@H](C(=O)NCc2cccnc2)C1 ZINC000306141687 571042148 /nfs/dbraw/zinc/04/21/48/571042148.db2.gz WDXKRPLMFAPISF-INIZCTEOSA-N 1 2 368.466 1.916 40 0 FDABLO C[C@H](CO)Nc1nc(NCc2cccc(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000328962554 571105021 /nfs/dbraw/zinc/10/50/21/571105021.db2.gz BISDKVZRDZHKRQ-CYBMUJFWSA-N 1 2 353.401 1.926 40 0 FDABLO CCS(=O)(=O)CCN1CC2(C1)OCC[C@H]2CCNc1cccc[nH+]1 ZINC000253488656 571135720 /nfs/dbraw/zinc/13/57/20/571135720.db2.gz BJDDHEJVZUUALC-OAHLLOKOSA-N 1 2 353.488 1.409 40 0 FDABLO Cc1nc2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257234603 571152767 /nfs/dbraw/zinc/15/27/67/571152767.db2.gz GUICRTSFEOHGPG-ROUUACIJSA-N 1 2 353.426 1.766 40 0 FDABLO Cc1[nH+]cc(-c2cncc([C@H]3CCCN(C(=O)c4cnccn4)C3)n2)n1C ZINC000257261724 571155360 /nfs/dbraw/zinc/15/53/60/571155360.db2.gz LINWPVJBXSKXBS-AWEZNQCLSA-N 1 2 363.425 1.995 40 0 FDABLO Cc1n[nH]c(C)c1CCC(=O)N(C)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257343103 571163282 /nfs/dbraw/zinc/16/32/82/571163282.db2.gz ZRMRHFWXUKAVFP-LJQANCHMSA-N 1 2 357.458 1.454 40 0 FDABLO Cn1cc(C[N@H+]2Cc3ccnn3C[C@H](CNC(=O)c3cscn3)C2)cn1 ZINC000306131174 571213955 /nfs/dbraw/zinc/21/39/55/571213955.db2.gz JYDXJXPJOWPDDC-CYBMUJFWSA-N 1 2 371.470 1.135 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3ccnn3C[C@H](CNC(=O)c3cscn3)C2)cn1 ZINC000306131174 571213956 /nfs/dbraw/zinc/21/39/56/571213956.db2.gz JYDXJXPJOWPDDC-CYBMUJFWSA-N 1 2 371.470 1.135 40 0 FDABLO COCC[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)c3ccccc3C)C[C@@H]21 ZINC000108530196 206034787 /nfs/dbraw/zinc/03/47/87/206034787.db2.gz ADKXUZPIZNZUAA-HOTGVXAUSA-N 1 2 354.472 1.105 40 0 FDABLO COCC[N@H+]1CCO[C@H]2CCN(S(=O)(=O)c3ccccc3C)C[C@@H]21 ZINC000108530196 206034791 /nfs/dbraw/zinc/03/47/91/206034791.db2.gz ADKXUZPIZNZUAA-HOTGVXAUSA-N 1 2 354.472 1.105 40 0 FDABLO COc1ccc([C@@H](c2nnnn2C(C)(C)C)[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000004850188 206182642 /nfs/dbraw/zinc/18/26/42/206182642.db2.gz MENRFQLQUXINHZ-INIZCTEOSA-N 1 2 372.473 1.723 40 0 FDABLO CCc1cc(CNC(=O)[C@]2(C)CCCN(C(=O)CCn3cc[nH+]c3)C2)on1 ZINC000257262359 206611529 /nfs/dbraw/zinc/61/15/29/206611529.db2.gz LLCFATWOSGOQOR-LJQANCHMSA-N 1 2 373.457 1.769 40 0 FDABLO CN(C)c1ccc(N2CCC[C@]3(CN(c4cnccn4)CCO3)C2)[nH+]c1 ZINC000096226444 132222787 /nfs/dbraw/zinc/22/27/87/132222787.db2.gz ZCGGVKJAZIJRGJ-LJQANCHMSA-N 1 2 354.458 1.813 40 0 FDABLO Cc1nn(C)cc1CCC(=O)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257208818 132294752 /nfs/dbraw/zinc/29/47/52/132294752.db2.gz BNRWCHNZFDEXIT-IBGZPJMESA-N 1 2 357.458 1.204 40 0 FDABLO Cn1cc(-c2cnc3c(N4CC[NH+](Cc5cccnc5)CC4)nccn23)cn1 ZINC000306133530 132301616 /nfs/dbraw/zinc/30/16/16/132301616.db2.gz MOCNFRIPVDUNSJ-UHFFFAOYSA-N 1 2 374.452 1.847 40 0 FDABLO COc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1C(C)C ZINC000008496607 518476946 /nfs/dbraw/zinc/47/69/46/518476946.db2.gz KWQMYXUZJRKIRR-UHFFFAOYSA-N 1 2 356.488 1.819 40 0 FDABLO COc1cccc(OC)c1OCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000019568217 518818137 /nfs/dbraw/zinc/81/81/37/518818137.db2.gz LBLPEGHBZWKNKK-UHFFFAOYSA-N 1 2 371.437 1.822 40 0 FDABLO CN(C)c1ncc(CN2CC[NH+](CCOc3ccccc3F)CC2)cn1 ZINC000019585535 518821649 /nfs/dbraw/zinc/82/16/49/518821649.db2.gz WATMNWREYJZRRS-UHFFFAOYSA-N 1 2 359.449 1.878 40 0 FDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)CC1 ZINC000020454203 518852135 /nfs/dbraw/zinc/85/21/35/518852135.db2.gz HIZBTBAEFNAMLI-UHFFFAOYSA-N 1 2 351.472 1.448 40 0 FDABLO COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000022251680 518895420 /nfs/dbraw/zinc/89/54/20/518895420.db2.gz XERFIOVBOBNITO-UHFFFAOYSA-N 1 2 366.443 1.108 40 0 FDABLO CN(C)S(=O)(=O)N1Cc2[nH+]cn(C)c2[C@H](COCC2CCCC2)C1 ZINC000096044962 525128494 /nfs/dbraw/zinc/12/84/94/525128494.db2.gz MRTIHTDNWFVKNK-AWEZNQCLSA-N 1 2 356.492 1.333 40 0 FDABLO COC[C@@H]1c2c(cnn2CC2CCOCC2)CC[N@H+]1Cc1cnn(C)c1 ZINC000096044533 525128569 /nfs/dbraw/zinc/12/85/69/525128569.db2.gz QDSSWQTXVJZTMW-GOSISDBHSA-N 1 2 359.474 1.789 40 0 FDABLO COC[C@@H]1c2c(cnn2CC2CCOCC2)CC[N@@H+]1Cc1cnn(C)c1 ZINC000096044533 525128573 /nfs/dbraw/zinc/12/85/73/525128573.db2.gz QDSSWQTXVJZTMW-GOSISDBHSA-N 1 2 359.474 1.789 40 0 FDABLO COc1ncccc1C[N@@H+]1C[C@@H]2CN(Cc3cnn(C)c3)CCO[C@@H]2C1 ZINC000096108102 525134009 /nfs/dbraw/zinc/13/40/09/525134009.db2.gz JJRINXFUJLLMTK-ZWKOTPCHSA-N 1 2 357.458 1.157 40 0 FDABLO COc1ncccc1C[N@H+]1C[C@@H]2CN(Cc3cnn(C)c3)CCO[C@@H]2C1 ZINC000096108102 525134016 /nfs/dbraw/zinc/13/40/16/525134016.db2.gz JJRINXFUJLLMTK-ZWKOTPCHSA-N 1 2 357.458 1.157 40 0 FDABLO COc1ncccc1C(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC000096207386 525150288 /nfs/dbraw/zinc/15/02/88/525150288.db2.gz NTLWMQBFHLSHKN-HNNXBMFYSA-N 1 2 356.426 1.986 40 0 FDABLO Cc1ccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4nccn4C)C3)C2)nn1 ZINC000096229177 525154324 /nfs/dbraw/zinc/15/43/24/525154324.db2.gz SXZIGSWPPKECCU-LJQANCHMSA-N 1 2 356.474 1.638 40 0 FDABLO Cc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4nccn4C)C3)C2)nn1 ZINC000096229177 525154329 /nfs/dbraw/zinc/15/43/29/525154329.db2.gz SXZIGSWPPKECCU-LJQANCHMSA-N 1 2 356.474 1.638 40 0 FDABLO COc1ncccc1C[NH+]1CC2(C1)C[C@H](OCC(=O)N(C)C)CS2 ZINC000247941395 537158993 /nfs/dbraw/zinc/15/89/93/537158993.db2.gz ACMKJBVCBSELJI-AWEZNQCLSA-N 1 2 351.472 1.255 40 0 FDABLO COc1ccccc1C[N@H+]1Cc2ccnn2[C@H](CC(=O)N2CCOCC2)C1 ZINC000248152416 537169074 /nfs/dbraw/zinc/16/90/74/537169074.db2.gz XASDSOYOHMXQEB-GOSISDBHSA-N 1 2 370.453 1.698 40 0 FDABLO COc1ccccc1C[N@@H+]1Cc2ccnn2[C@H](CC(=O)N2CCOCC2)C1 ZINC000248152416 537169077 /nfs/dbraw/zinc/16/90/77/537169077.db2.gz XASDSOYOHMXQEB-GOSISDBHSA-N 1 2 370.453 1.698 40 0 FDABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2CCNS(C)(=O)=O ZINC000248156584 537169211 /nfs/dbraw/zinc/16/92/11/537169211.db2.gz ZDQNDQMTPWFPHI-OAHLLOKOSA-N 1 2 354.472 1.225 40 0 FDABLO O=C(c1cc(N2CCOCC2)on1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000224078797 537538220 /nfs/dbraw/zinc/53/82/20/537538220.db2.gz KMAYGJJHBAQDSS-UHFFFAOYSA-N 1 2 356.426 1.469 40 0 FDABLO Cn1c[nH+]c2c1C[C@@H](COCc1cccnc1)N(C(=O)c1cocn1)C2 ZINC000585094985 551568472 /nfs/dbraw/zinc/56/84/72/551568472.db2.gz YGDLIQPDGSLTCI-AWEZNQCLSA-N 1 2 353.382 1.587 40 0 FDABLO O=C(NCCc1cccs1)[C@@H]1CN(C(=O)C2CCC2)Cc2c[nH+]cn21 ZINC000585096026 551568913 /nfs/dbraw/zinc/56/89/13/551568913.db2.gz NFSDXTXLZZSIAT-INIZCTEOSA-N 1 2 358.467 1.987 40 0 FDABLO Cc1c(C[N@@H+]2Cc3ccnn3CC[C@@H]2CNC(=O)CC2CC2)cnn1C ZINC000585096831 551569490 /nfs/dbraw/zinc/56/94/90/551569490.db2.gz DLONOAVIBIYPEI-QGZVFWFLSA-N 1 2 356.474 1.616 40 0 FDABLO Cc1c(C[N@H+]2Cc3ccnn3CC[C@@H]2CNC(=O)CC2CC2)cnn1C ZINC000585096831 551569491 /nfs/dbraw/zinc/56/94/91/551569491.db2.gz DLONOAVIBIYPEI-QGZVFWFLSA-N 1 2 356.474 1.616 40 0 FDABLO C[C@]1(C(=O)N2CCc3[nH+]cc(CN4CCOCC4)n3CC2)CC=CCC1 ZINC000585110637 551573622 /nfs/dbraw/zinc/57/36/22/551573622.db2.gz RNOXWDFWNWMGQL-FQEVSTJZSA-N 1 2 358.486 1.846 40 0 FDABLO C[N@@H+]1CCO[C@H](CNC(=O)c2nc3c(o2)CCN(Cc2ccccc2)C3)C1 ZINC000585112074 551574183 /nfs/dbraw/zinc/57/41/83/551574183.db2.gz KRHWQMVHYQWCQO-MRXNPFEDSA-N 1 2 370.453 1.293 40 0 FDABLO C[N@H+]1CCO[C@H](CNC(=O)c2nc3c(o2)CCN(Cc2ccccc2)C3)C1 ZINC000585112074 551574185 /nfs/dbraw/zinc/57/41/85/551574185.db2.gz KRHWQMVHYQWCQO-MRXNPFEDSA-N 1 2 370.453 1.293 40 0 FDABLO Cn1ccnc1C[N@@H+]1CC[C@@]2(C1)COCCN(C(=O)c1ccnc(F)c1)C2 ZINC000585113568 551575182 /nfs/dbraw/zinc/57/51/82/551575182.db2.gz WFKVHGFBGHRUJL-IBGZPJMESA-N 1 2 373.432 1.319 40 0 FDABLO Cn1ccnc1C[N@H+]1CC[C@@]2(C1)COCCN(C(=O)c1ccnc(F)c1)C2 ZINC000585113568 551575183 /nfs/dbraw/zinc/57/51/83/551575183.db2.gz WFKVHGFBGHRUJL-IBGZPJMESA-N 1 2 373.432 1.319 40 0 FDABLO C[N@H+](CC(=O)N1CC[C@@](O)(COc2ccccc2)C1)Cc1ccncc1 ZINC000585275793 551577091 /nfs/dbraw/zinc/57/70/91/551577091.db2.gz JQNZPEWQKXULMS-FQEVSTJZSA-N 1 2 355.438 1.556 40 0 FDABLO C[N@@H+](CC(=O)N1CC[C@@](O)(COc2ccccc2)C1)Cc1ccncc1 ZINC000585275793 551577093 /nfs/dbraw/zinc/57/70/93/551577093.db2.gz JQNZPEWQKXULMS-FQEVSTJZSA-N 1 2 355.438 1.556 40 0 FDABLO COC[C@@]1(CC(=O)N(C)C)C[N@H+](Cc2ccc(OC)c(F)c2)CCO1 ZINC000585278618 551577817 /nfs/dbraw/zinc/57/78/17/551577817.db2.gz PIHIQGWHQXBJGV-GOSISDBHSA-N 1 2 354.422 1.530 40 0 FDABLO COC[C@@]1(CC(=O)N(C)C)C[N@@H+](Cc2ccc(OC)c(F)c2)CCO1 ZINC000585278618 551577819 /nfs/dbraw/zinc/57/78/19/551577819.db2.gz PIHIQGWHQXBJGV-GOSISDBHSA-N 1 2 354.422 1.530 40 0 FDABLO Cc1cccc(OC[C@@]2(O)COCCN(C(=O)CCn3cc[nH+]c3)C2)c1 ZINC000585278971 551578340 /nfs/dbraw/zinc/57/83/40/551578340.db2.gz XNMRDDPFHSPJFM-IBGZPJMESA-N 1 2 359.426 1.251 40 0 FDABLO CC(=O)N[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1Cc1ccc(F)cc1 ZINC000585279142 551578369 /nfs/dbraw/zinc/57/83/69/551578369.db2.gz VSPAJVFWERIUMU-ROUUACIJSA-N 1 2 358.417 1.761 40 0 FDABLO COc1cccc(O[C@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC[C@@H]2O)c1 ZINC000585290859 551579663 /nfs/dbraw/zinc/57/96/63/551579663.db2.gz IHKBRJRCPSOEAG-ZBKUBXTQSA-N 1 2 357.410 1.862 40 0 FDABLO COCCN1CC[C@@]2(CN(C(=O)C3CC3)C[C@H]2c2cn(C(C)C)c[nH+]2)C1=O ZINC000306140740 571041390 /nfs/dbraw/zinc/04/13/90/571041390.db2.gz VCVZPPFHNNWOCH-JXFKEZNVSA-N 1 2 374.485 1.665 40 0 FDABLO Cc1cc(C[N@H+]2Cc3ccnn3C[C@@H](CCNC(=O)N(C)C)C2)n(C)n1 ZINC000306142530 571042618 /nfs/dbraw/zinc/04/26/18/571042618.db2.gz XCFFRNFWTDDHFJ-HNNXBMFYSA-N 1 2 359.478 1.218 40 0 FDABLO Cc1cc(C[N@@H+]2Cc3ccnn3C[C@@H](CCNC(=O)N(C)C)C2)n(C)n1 ZINC000306142530 571042621 /nfs/dbraw/zinc/04/26/21/571042621.db2.gz XCFFRNFWTDDHFJ-HNNXBMFYSA-N 1 2 359.478 1.218 40 0 FDABLO CC[C@H](C)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2cccnc2)n1 ZINC000328957277 571104625 /nfs/dbraw/zinc/10/46/25/571104625.db2.gz AJUOJBQWSJERFX-HNNXBMFYSA-N 1 2 356.474 1.337 40 0 FDABLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CC[C@](F)(CO)C1 ZINC000332734511 571120976 /nfs/dbraw/zinc/12/09/76/571120976.db2.gz ZTVZJYWTAVORRV-PKOBYXMFSA-N 1 2 365.449 1.046 40 0 FDABLO CC(C)[C@@H](CO)Nc1nc(NC[C@@H]2CCCO2)cc(-c2ccncc2)[nH+]1 ZINC000329066293 571129808 /nfs/dbraw/zinc/12/98/08/571129808.db2.gz XZGTUEHMQSNHPY-DOTOQJQBSA-N 1 2 357.458 2.558 40 0 FDABLO CCOC[C@H]1CN(S(=O)(=O)c2ccc(C)cc2OC)Cc2c[nH+]cn21 ZINC000253478386 571135715 /nfs/dbraw/zinc/13/57/15/571135715.db2.gz KRBPDFFUZMZTNA-OAHLLOKOSA-N 1 2 365.455 1.982 40 0 FDABLO CC(C)N1CCN(C(=O)CCn2cc[nH+]c2-c2ccccc2)C[C@@H]1C(N)=O ZINC000257247787 571154287 /nfs/dbraw/zinc/15/42/87/571154287.db2.gz JAMOGJFAPILQGZ-QGZVFWFLSA-N 1 2 369.469 1.347 40 0 FDABLO COc1cccc2c(C)c(C(=O)N3CC[N@H+](C(C)C)[C@H](C(N)=O)C3)[nH]c21 ZINC000257253451 571154504 /nfs/dbraw/zinc/15/45/04/571154504.db2.gz JYZBOLPWBDGDJP-AWEZNQCLSA-N 1 2 358.442 1.505 40 0 FDABLO COc1cccc2c(C)c(C(=O)N3CC[N@@H+](C(C)C)[C@H](C(N)=O)C3)[nH]c21 ZINC000257253451 571154506 /nfs/dbraw/zinc/15/45/06/571154506.db2.gz JYZBOLPWBDGDJP-AWEZNQCLSA-N 1 2 358.442 1.505 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CC[N@@H+]1C(C)C ZINC000257274216 571156984 /nfs/dbraw/zinc/15/69/84/571156984.db2.gz NJZYHSKPHRGRLV-INIZCTEOSA-N 1 2 357.458 1.163 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CC[N@H+]1C(C)C ZINC000257274216 571156986 /nfs/dbraw/zinc/15/69/86/571156986.db2.gz NJZYHSKPHRGRLV-INIZCTEOSA-N 1 2 357.458 1.163 40 0 FDABLO Cc1cc(N2CC[C@](O)(CNC(=O)CCc3cccc(F)c3)C2)nc[nH+]1 ZINC000257333477 571162904 /nfs/dbraw/zinc/16/29/04/571162904.db2.gz YBSINIVMBRTEFE-IBGZPJMESA-N 1 2 358.417 1.614 40 0 FDABLO C[C@]12C[C@H]3C[N@H+](Cc4ccccc4OCC(=O)[O-])C[C@H](CC[C@@H]1[NH2+]3)[C@H]2O ZINC000257340409 571163233 /nfs/dbraw/zinc/16/32/33/571163233.db2.gz ZFYBEWQBNSHSIV-UYHBIPHVSA-N 1 2 360.454 1.473 40 0 FDABLO C[C@]12C[C@H]3C[N@@H+](Cc4ccccc4OCC(=O)[O-])C[C@H](CC[C@@H]1[NH2+]3)[C@H]2O ZINC000257340409 571163235 /nfs/dbraw/zinc/16/32/35/571163235.db2.gz ZFYBEWQBNSHSIV-UYHBIPHVSA-N 1 2 360.454 1.473 40 0 FDABLO Cn1cc(C(=O)N2Cc3c[nH+]cn3[C@H](COCc3ccncc3)C2)cn1 ZINC000306133550 571214160 /nfs/dbraw/zinc/21/41/60/571214160.db2.gz MPHFAOGDVGPTTM-KRWDZBQOSA-N 1 2 352.398 1.426 40 0 FDABLO Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2cnccc2Cl)[C@@H]1O ZINC000952844909 960131354 /nfs/dbraw/zinc/13/13/54/960131354.db2.gz SDAFRPBCQJCAQG-DGXTUMSLSA-N 1 2 350.806 1.055 40 0 biogenic,in-vitro FDABLO CCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2ccccc2F)n(C)c1=O ZINC000010329003 204009627 /nfs/dbraw/zinc/00/96/27/204009627.db2.gz XSUVKYHWPCMEOD-UHFFFAOYSA-N 1 2 370.388 1.452 40 0 FDABLO COC(=O)[C@H]([NH3+])Cc1cc(Br)c(O)c(Br)c1 ZINC000002539052 204043760 /nfs/dbraw/zinc/04/37/60/204043760.db2.gz XIWWDKTXRPGESF-MRVPVSSYSA-N 1 2 353.010 1.960 40 0 FDABLO CCOc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1NC(C)=O ZINC000004911511 204176117 /nfs/dbraw/zinc/17/61/17/204176117.db2.gz OCKGQEGOJDLTRW-UHFFFAOYSA-N 1 2 366.443 1.609 40 0 FDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)NCc4cccnc4)O[C@H]3C2)no1 ZINC000107714767 206021920 /nfs/dbraw/zinc/02/19/20/206021920.db2.gz GECYBUAOAXULJH-SZMVWBNQSA-N 1 2 356.426 1.674 40 0 FDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)NCc4cccnc4)O[C@H]3C2)no1 ZINC000107714767 206021925 /nfs/dbraw/zinc/02/19/25/206021925.db2.gz GECYBUAOAXULJH-SZMVWBNQSA-N 1 2 356.426 1.674 40 0 FDABLO COc1ccc([C@H](c2nnnn2C(C)(C)C)[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000001344188 206147739 /nfs/dbraw/zinc/14/77/39/206147739.db2.gz MENRFQLQUXINHZ-MRXNPFEDSA-N 1 2 372.473 1.723 40 0 FDABLO CCOC(=O)[C@@]1(CC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000100420635 206223659 /nfs/dbraw/zinc/22/36/59/206223659.db2.gz OWDXQNUTULMXQF-YGTYGHESSA-N 1 2 360.410 1.370 40 0 FDABLO CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)NC(N3CCCCC3)=[NH+]2)cc1 ZINC000014607667 206312246 /nfs/dbraw/zinc/31/22/46/206312246.db2.gz XIFAIJWJKIENMR-OAHLLOKOSA-N 1 2 357.414 1.314 40 0 FDABLO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000018029940 206323224 /nfs/dbraw/zinc/32/32/24/206323224.db2.gz NONAFFPJNGHMCF-CYBMUJFWSA-N 1 2 370.236 1.823 40 0 FDABLO CCc1ccc(OCC(=O)NCC[NH+]2CCOCC2)c(Br)c1 ZINC000218862993 206375263 /nfs/dbraw/zinc/37/52/63/206375263.db2.gz GLEDDMTYTPTNFF-UHFFFAOYSA-N 1 2 371.275 1.839 40 0 FDABLO O=C(CCCc1ccncc1)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257243870 132295526 /nfs/dbraw/zinc/29/55/26/132295526.db2.gz IIXQRZCFBUSYTN-HXUWFJFHSA-N 1 2 354.454 1.947 40 0 FDABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccn2)C3)C[C@@H](C)O1 ZINC000072335491 136144323 /nfs/dbraw/zinc/14/43/23/136144323.db2.gz OTUHZFMKSHJMSQ-ZIAGYGMSSA-N 1 2 355.442 1.749 40 0 FDABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccn2)C3)C[C@@H](C)O1 ZINC000072335491 136144324 /nfs/dbraw/zinc/14/43/24/136144324.db2.gz OTUHZFMKSHJMSQ-ZIAGYGMSSA-N 1 2 355.442 1.749 40 0 FDABLO C[C@@H]1CCc2c(sc3ncn(C4CC[NH+](CC(N)=O)CC4)c(=O)c32)C1 ZINC000012145469 518592827 /nfs/dbraw/zinc/59/28/27/518592827.db2.gz AWCCVHZDXFTGPL-LLVKDONJSA-N 1 2 360.483 1.705 40 0 FDABLO Cn1cc(S(=O)(=O)N[C@@H](CC[NH+]2CCOCC2)c2ccccc2)cn1 ZINC000019716042 518830221 /nfs/dbraw/zinc/83/02/21/518830221.db2.gz JIEZLTACKSHOGH-KRWDZBQOSA-N 1 2 364.471 1.162 40 0 FDABLO Cc1nc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)nc2c1C(=O)CC(C)(C)C2 ZINC000020633914 518855843 /nfs/dbraw/zinc/85/58/43/518855843.db2.gz BPTGCMGGXBUACK-UHFFFAOYSA-N 1 2 373.457 1.076 40 0 FDABLO Cc1sc(C(N)=O)cc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000035401839 519606506 /nfs/dbraw/zinc/60/65/06/519606506.db2.gz SHVNUZCZSGROIK-UHFFFAOYSA-N 1 2 366.468 1.061 40 0 FDABLO CC(=O)N1CC[NH+](Cc2cc(-c3ccccc3)cn3c(=O)n(C)nc23)CC1 ZINC000072343211 522221013 /nfs/dbraw/zinc/22/10/13/522221013.db2.gz RCCWSBTWKPGVNV-UHFFFAOYSA-N 1 2 365.437 1.364 40 0 FDABLO COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)C[NH+](C)C)C3)n[nH]2)cc1 ZINC000072371616 522226186 /nfs/dbraw/zinc/22/61/86/522226186.db2.gz LDDKXPHJPPBLHZ-OAHLLOKOSA-N 1 2 372.469 1.917 40 0 FDABLO CC(C)C(=O)N1CC[N@H+](Cc2nccs2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096036052 525122386 /nfs/dbraw/zinc/12/23/86/525122386.db2.gz NXOJIEJLFOLRPO-QGZVFWFLSA-N 1 2 350.488 1.292 40 0 FDABLO CC(C)C(=O)N1CC[N@@H+](Cc2nccs2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096036052 525122391 /nfs/dbraw/zinc/12/23/91/525122391.db2.gz NXOJIEJLFOLRPO-QGZVFWFLSA-N 1 2 350.488 1.292 40 0 FDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)NCc4cccnc4)O[C@@H]3C2)no1 ZINC000096043012 525125419 /nfs/dbraw/zinc/12/54/19/525125419.db2.gz GECYBUAOAXULJH-RYQLBKOJSA-N 1 2 356.426 1.674 40 0 FDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)NCc4cccnc4)O[C@@H]3C2)no1 ZINC000096043012 525125424 /nfs/dbraw/zinc/12/54/24/525125424.db2.gz GECYBUAOAXULJH-RYQLBKOJSA-N 1 2 356.426 1.674 40 0 FDABLO Cn1cccc1C(=O)NCc1cn2c(n1)C[N@@H+](Cc1cccnc1)CC2 ZINC000096059484 525129840 /nfs/dbraw/zinc/12/98/40/525129840.db2.gz YQCQUNDMOIYWSE-UHFFFAOYSA-N 1 2 350.426 1.562 40 0 FDABLO Cn1cccc1C(=O)NCc1cn2c(n1)C[N@H+](Cc1cccnc1)CC2 ZINC000096059484 525129851 /nfs/dbraw/zinc/12/98/51/525129851.db2.gz YQCQUNDMOIYWSE-UHFFFAOYSA-N 1 2 350.426 1.562 40 0 FDABLO Cc1cc(C(=O)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)on1 ZINC000096207456 525150607 /nfs/dbraw/zinc/15/06/07/525150607.db2.gz JRCKJIMCKYCICX-AWEZNQCLSA-N 1 2 353.382 1.926 40 0 FDABLO O=C([C@@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21)N1CCOCC1 ZINC000247860535 537154006 /nfs/dbraw/zinc/15/40/06/537154006.db2.gz MIDPMHIKWHOPCP-IBGZPJMESA-N 1 2 370.453 1.315 40 0 FDABLO O=C([C@@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21)N1CCOCC1 ZINC000247860535 537154009 /nfs/dbraw/zinc/15/40/09/537154009.db2.gz MIDPMHIKWHOPCP-IBGZPJMESA-N 1 2 370.453 1.315 40 0 FDABLO COCCNC(=O)C[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000247881820 537156250 /nfs/dbraw/zinc/15/62/50/537156250.db2.gz QDPUGBAUSHSGID-INIZCTEOSA-N 1 2 372.425 1.321 40 0 FDABLO COCCNC(=O)C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000247881820 537156253 /nfs/dbraw/zinc/15/62/53/537156253.db2.gz QDPUGBAUSHSGID-INIZCTEOSA-N 1 2 372.425 1.321 40 0 FDABLO COc1ccccc1C[N@H+]1Cc2ccnn2[C@@H](COCC(=O)N(C)C)C1 ZINC000247991465 537162221 /nfs/dbraw/zinc/16/22/21/537162221.db2.gz LONBGXLSTGLOFV-QGZVFWFLSA-N 1 2 358.442 1.553 40 0 FDABLO COc1ccccc1C[N@@H+]1Cc2ccnn2[C@@H](COCC(=O)N(C)C)C1 ZINC000247991465 537162224 /nfs/dbraw/zinc/16/22/24/537162224.db2.gz LONBGXLSTGLOFV-QGZVFWFLSA-N 1 2 358.442 1.553 40 0 FDABLO CCS(=O)(=O)NCC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(C)o2)C1 ZINC000248065414 537164881 /nfs/dbraw/zinc/16/48/81/537164881.db2.gz DWSHTJMKMMHMNI-OAHLLOKOSA-N 1 2 366.487 1.746 40 0 FDABLO CCS(=O)(=O)NCC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc(C)o2)C1 ZINC000248065414 537164882 /nfs/dbraw/zinc/16/48/82/537164882.db2.gz DWSHTJMKMMHMNI-OAHLLOKOSA-N 1 2 366.487 1.746 40 0 FDABLO Cn1ccnc1C(=O)NCC[C@@H]1CCOC12C[NH+](Cc1cccs1)C2 ZINC000248095864 537166207 /nfs/dbraw/zinc/16/62/07/537166207.db2.gz CXVPQOQQBDIBHC-CQSZACIVSA-N 1 2 360.483 1.893 40 0 FDABLO Cc1ccc(C(=O)NCC[NH+]2CCOCC2)c(I)c1 ZINC000225022683 537542018 /nfs/dbraw/zinc/54/20/18/537542018.db2.gz LARYIEJYDIEPSN-UHFFFAOYSA-N 1 2 374.222 1.662 40 0 FDABLO CCCNC(=O)Nc1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000225775357 537560485 /nfs/dbraw/zinc/56/04/85/537560485.db2.gz KMCXJCWNWQVLHI-UHFFFAOYSA-N 1 2 354.476 1.463 40 0 FDABLO CS(=O)(=O)NC[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2c[nH+]cn21 ZINC000306125351 537600021 /nfs/dbraw/zinc/60/00/21/537600021.db2.gz CNDZKOWXGKMBOO-QGZVFWFLSA-N 1 2 371.466 1.537 40 0 FDABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1nn(C)c2ccccc21 ZINC000585094849 551568426 /nfs/dbraw/zinc/56/84/26/551568426.db2.gz QDPAGTSZHLQLCG-CYBMUJFWSA-N 1 2 353.426 1.910 40 0 FDABLO Cn1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2COCc2ccncc2)cn1 ZINC000585094687 551568448 /nfs/dbraw/zinc/56/84/48/551568448.db2.gz HORZTJLDUUQIPF-KRWDZBQOSA-N 1 2 352.442 1.692 40 0 FDABLO C[C@@H]1c2[nH+]cc(CCOc3ccccn3)n2CCN1C(=O)C1CC(O)C1 ZINC000585097895 551569874 /nfs/dbraw/zinc/56/98/74/551569874.db2.gz OTEUBBNKLCJMTO-VQCLRJIVSA-N 1 2 356.426 1.574 40 0 FDABLO Cc1ccnc(C(=O)N2Cc3ccnn3CC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000585098644 551570179 /nfs/dbraw/zinc/57/01/79/551570179.db2.gz ZWYIEDAHRDDUIT-MRXNPFEDSA-N 1 2 355.442 1.333 40 0 FDABLO Cc1c(C[N@@H+]2Cc3ccnn3CC[C@@H]2COc2cnccn2)cnn1C ZINC000585098403 551570508 /nfs/dbraw/zinc/57/05/08/551570508.db2.gz XMRZNBIHVOIFHI-QGZVFWFLSA-N 1 2 353.430 1.569 40 0 FDABLO Cc1c(C[N@H+]2Cc3ccnn3CC[C@@H]2COc2cnccn2)cnn1C ZINC000585098403 551570510 /nfs/dbraw/zinc/57/05/10/551570510.db2.gz XMRZNBIHVOIFHI-QGZVFWFLSA-N 1 2 353.430 1.569 40 0 FDABLO O=S(=O)(NCC[C@@H]1CCOC12C[NH+](Cc1ccc(F)cc1)C2)C1CC1 ZINC000585103444 551571267 /nfs/dbraw/zinc/57/12/67/551571267.db2.gz WHUYENKVDCRNKX-OAHLLOKOSA-N 1 2 368.474 1.889 40 0 FDABLO O=C(c1ccnc(F)c1)N1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000585113555 551575097 /nfs/dbraw/zinc/57/50/97/551575097.db2.gz MUQUVVSSUGXYJU-LJQANCHMSA-N 1 2 356.401 1.985 40 0 FDABLO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1NC(C)=O ZINC000408589860 570567897 /nfs/dbraw/zinc/56/78/97/570567897.db2.gz FWXGTQHZNQDDBU-UHFFFAOYSA-N 1 2 352.416 1.219 40 0 FDABLO Cc1noc(C)c1CN1Cc2c[nH+]cn2[C@@H](C(=O)NCc2cccnc2)C1 ZINC000306137897 571041144 /nfs/dbraw/zinc/04/11/44/571041144.db2.gz RJMZMGNJDXTUGF-GOSISDBHSA-N 1 2 366.425 1.756 40 0 FDABLO CN(C)C(=O)NC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21 ZINC000306142628 571042611 /nfs/dbraw/zinc/04/26/11/571042611.db2.gz XEZUEEDGWJTAQD-OAHLLOKOSA-N 1 2 357.414 1.440 40 0 FDABLO COC(=O)c1ccc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)cc1OC ZINC000328976898 571105617 /nfs/dbraw/zinc/10/56/17/571105617.db2.gz FRBLUVUKMYUCPF-UHFFFAOYSA-N 1 2 358.398 1.141 40 0 FDABLO COc1ccccc1CNc1cc(-c2cccnc2)[nH+]c(N[C@H](C)CO)n1 ZINC000329004825 571106833 /nfs/dbraw/zinc/10/68/33/571106833.db2.gz KUMBMFLTZLSMSV-CQSZACIVSA-N 1 2 365.437 1.796 40 0 FDABLO Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23C[NH+](CC2CCCC2)C3)n1 ZINC000253478855 571135749 /nfs/dbraw/zinc/13/57/49/571135749.db2.gz NKRJXDDETCTFLQ-INIZCTEOSA-N 1 2 365.499 1.843 40 0 FDABLO CN(C(=O)Cn1cnc2ccccc21)[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257261634 571155391 /nfs/dbraw/zinc/15/53/91/571155391.db2.gz LIFBMRNDONWBGK-ZHALLVOQSA-N 1 2 353.426 1.846 40 0 FDABLO Cc1cc(N2CC[C@](O)(CNC(=O)CCc3ccc(F)cc3)C2)nc[nH+]1 ZINC000257309392 571160563 /nfs/dbraw/zinc/16/05/63/571160563.db2.gz UATLQYFDAKESKK-IBGZPJMESA-N 1 2 358.417 1.614 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2C)CC[N@@H+]1C(C)C ZINC000257325454 571162241 /nfs/dbraw/zinc/16/22/41/571162241.db2.gz WSZOEMKROJEAMO-CYBMUJFWSA-N 1 2 372.391 1.690 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2C)CC[N@H+]1C(C)C ZINC000257325454 571162243 /nfs/dbraw/zinc/16/22/43/571162243.db2.gz WSZOEMKROJEAMO-CYBMUJFWSA-N 1 2 372.391 1.690 40 0 FDABLO O=S(=O)(C1CC1)N1CCOC[C@@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC000096062454 209107326 /nfs/dbraw/zinc/10/73/26/209107326.db2.gz SPKMEIQVVRTOMG-OAHLLOKOSA-N 1 2 357.501 1.160 40 0 FDABLO O=S(=O)(C1CC1)N1CCOC[C@@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC000096062454 209107325 /nfs/dbraw/zinc/10/73/25/209107325.db2.gz SPKMEIQVVRTOMG-OAHLLOKOSA-N 1 2 357.501 1.160 40 0 FDABLO O=C(NC1CCCC1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC000096068115 209106740 /nfs/dbraw/zinc/10/67/40/209106740.db2.gz GRDDDUOJHZTAPY-UHFFFAOYSA-N 1 2 356.430 1.346 40 0 FDABLO Cn1cc(C[N@H+]2Cc3nccn3C[C@@H](COCc3cccnc3)C2)cn1 ZINC000096059144 209103977 /nfs/dbraw/zinc/10/39/77/209103977.db2.gz FSZIQVWIPYKECU-SFHVURJKSA-N 1 2 352.442 1.860 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3nccn3C[C@@H](COCc3cccnc3)C2)cn1 ZINC000096059144 209103978 /nfs/dbraw/zinc/10/39/78/209103978.db2.gz FSZIQVWIPYKECU-SFHVURJKSA-N 1 2 352.442 1.860 40 0 FDABLO Cc1csc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)N4CCCCO4)O[C@@H]3C2)n1 ZINC000096043123 209100039 /nfs/dbraw/zinc/10/00/39/209100039.db2.gz VLCQDCDNWJYUPV-SOUVJXGZSA-N 1 2 351.472 1.985 40 0 FDABLO Cc1csc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)N4CCCCO4)O[C@@H]3C2)n1 ZINC000096043123 209100041 /nfs/dbraw/zinc/10/00/41/209100041.db2.gz VLCQDCDNWJYUPV-SOUVJXGZSA-N 1 2 351.472 1.985 40 0 FDABLO Cc1cc(N2CCCCC2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225905119 132287426 /nfs/dbraw/zinc/28/74/26/132287426.db2.gz VWNQGBUZHNWBSO-UHFFFAOYSA-N 1 2 364.519 1.394 40 0 FDABLO CNC(=O)c1cnn2c1nccc2[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257276864 132296320 /nfs/dbraw/zinc/29/63/20/132296320.db2.gz NVKKOIUBCXTICU-ZDUSSCGKSA-N 1 2 351.414 1.571 40 0 FDABLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000044901260 136121772 /nfs/dbraw/zinc/12/17/72/136121772.db2.gz CGORHGOHSSRIQX-FGTMMUONSA-N 1 2 368.481 1.839 40 0 FDABLO CCC[C@@H](c1nnnn1CCOC)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000057670010 136129836 /nfs/dbraw/zinc/12/98/36/136129836.db2.gz UQCDKHBQAIXSND-SFHVURJKSA-N 1 2 374.489 1.992 40 0 FDABLO CCOc1ccccc1N1C(=O)C[C@@H]([NH+]2CCC3(CC2)OCCO3)C1=O ZINC000013636671 518664245 /nfs/dbraw/zinc/66/42/45/518664245.db2.gz LUOXKFDDCSIAJQ-OAHLLOKOSA-N 1 2 360.410 1.556 40 0 FDABLO Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000019130412 518802407 /nfs/dbraw/zinc/80/24/07/518802407.db2.gz BTHVVWMTLAJHEY-QSJFSLAZSA-N 1 2 369.469 1.735 40 0 FDABLO Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000019130412 518802412 /nfs/dbraw/zinc/80/24/12/518802412.db2.gz BTHVVWMTLAJHEY-QSJFSLAZSA-N 1 2 369.469 1.735 40 0 FDABLO O=C(NCC[NH+]1CCOCC1)c1cc(C2CCOCC2)c2cnccc2n1 ZINC000019404800 518810942 /nfs/dbraw/zinc/81/09/42/518810942.db2.gz VUSTXZSZEIJDHN-UHFFFAOYSA-N 1 2 370.453 1.586 40 0 FDABLO CCOC(=O)[C@]1(CC)[NH2+][C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000019500767 518814884 /nfs/dbraw/zinc/81/48/84/518814884.db2.gz HSGRKWCSKYMMPD-QCBUCWTNSA-N 1 2 374.437 1.673 40 0 FDABLO CCn1cc(C[NH+]2CCN(C(=O)[C@@H](C)n3cc(Cl)cn3)CC2)cn1 ZINC000019524948 518815455 /nfs/dbraw/zinc/81/54/55/518815455.db2.gz VNCJMDLICGBIDP-CYBMUJFWSA-N 1 2 350.854 1.658 40 0 FDABLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H](C)c1cn(C)nc1C)CC2 ZINC000019583658 518820932 /nfs/dbraw/zinc/82/09/32/518820932.db2.gz WYSPOIWZVJWVGY-CYBMUJFWSA-N 1 2 372.469 1.981 40 0 FDABLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H](C)c1cn(C)nc1C)CC2 ZINC000019583658 518820938 /nfs/dbraw/zinc/82/09/38/518820938.db2.gz WYSPOIWZVJWVGY-CYBMUJFWSA-N 1 2 372.469 1.981 40 0 FDABLO COc1ccc(C[N@@H+]2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)cn1 ZINC000085436182 524357985 /nfs/dbraw/zinc/35/79/85/524357985.db2.gz YHPOIVNOWYQZCF-QGZVFWFLSA-N 1 2 353.426 1.607 40 0 biogenic,in-vitro FDABLO COc1ccc(C[N@H+]2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)cn1 ZINC000085436182 524357988 /nfs/dbraw/zinc/35/79/88/524357988.db2.gz YHPOIVNOWYQZCF-QGZVFWFLSA-N 1 2 353.426 1.607 40 0 biogenic,in-vitro FDABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000100420264 525214050 /nfs/dbraw/zinc/21/40/50/525214050.db2.gz YEZNKYFKDZHBMC-QCUYGVNKSA-N 1 2 360.410 1.370 40 0 FDABLO CC(=O)NCc1cnc(C)nc1[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000257296527 526815903 /nfs/dbraw/zinc/81/59/03/526815903.db2.gz RDEYRCDESZXJEP-QGZVFWFLSA-N 1 2 359.474 1.571 40 0 FDABLO CC(=O)NCc1cnc(C)nc1[C@H]1CCC[N@H+]1CC(=O)N1CCCCC1 ZINC000257296527 526815908 /nfs/dbraw/zinc/81/59/08/526815908.db2.gz RDEYRCDESZXJEP-QGZVFWFLSA-N 1 2 359.474 1.571 40 0 FDABLO Cn1cc[nH+]c1CN1C[C@H]2CN(C(=O)NCc3ccccc3)CCN2C1=O ZINC000085436127 527433916 /nfs/dbraw/zinc/43/39/16/527433916.db2.gz ILAXZARKWQUWJT-MRXNPFEDSA-N 1 2 368.441 1.252 40 0 biogenic,in-vitro FDABLO COc1cccc(C[NH+]2CC3(C2)OCC[C@H]3CCNS(C)(=O)=O)c1 ZINC000247892061 537156911 /nfs/dbraw/zinc/15/69/11/537156911.db2.gz MZLCRCMWVFXJSQ-OAHLLOKOSA-N 1 2 354.472 1.225 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(C(=O)CCc3ccccc3)C2)C[N@@H+]1CC1CC1 ZINC000247938916 537158366 /nfs/dbraw/zinc/15/83/66/537158366.db2.gz HVAHNEVYNUNUBA-GOSISDBHSA-N 1 2 371.481 1.057 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(C(=O)CCc3ccccc3)C2)C[N@H+]1CC1CC1 ZINC000247938916 537158369 /nfs/dbraw/zinc/15/83/69/537158369.db2.gz HVAHNEVYNUNUBA-GOSISDBHSA-N 1 2 371.481 1.057 40 0 FDABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)N3CCOCC3)C2)s1 ZINC000248063159 537165026 /nfs/dbraw/zinc/16/50/26/537165026.db2.gz VDYQECOOJAPOLW-HNNXBMFYSA-N 1 2 360.483 1.748 40 0 FDABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)N3CCOCC3)C2)s1 ZINC000248063159 537165029 /nfs/dbraw/zinc/16/50/29/537165029.db2.gz VDYQECOOJAPOLW-HNNXBMFYSA-N 1 2 360.483 1.748 40 0 FDABLO CSc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1NC(C)=O ZINC000223481789 537526179 /nfs/dbraw/zinc/52/61/79/537526179.db2.gz YHMAICSVELLHKW-UHFFFAOYSA-N 1 2 368.484 1.932 40 0 FDABLO Cc1cc(NC(=S)NCC[NH+]2CCOCC2)ncc1Br ZINC000223892296 537536581 /nfs/dbraw/zinc/53/65/81/537536581.db2.gz GCTZSRFAIAEFOR-UHFFFAOYSA-N 1 2 359.293 1.771 40 0 FDABLO Cn1cccc1[C@H](c1noc([C@@H]([NH3+])CCS(C)(=O)=O)n1)n1cccc1 ZINC000409438879 537851101 /nfs/dbraw/zinc/85/11/01/537851101.db2.gz DWBJIKDNYWZHFP-GXTWGEPZSA-N 1 2 363.443 1.282 40 0 FDABLO CCn1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2CNc2ncccn2)cn1 ZINC000585094749 551568407 /nfs/dbraw/zinc/56/84/07/551568407.db2.gz KHTYNWWYNCVMLF-HNNXBMFYSA-N 1 2 352.446 1.466 40 0 FDABLO Cc1cncc(C[N@@H+]2CCC[C@]3(CC(C(=O)NCC(F)(F)F)=NO3)C2)n1 ZINC000585101126 551571008 /nfs/dbraw/zinc/57/10/08/551571008.db2.gz GRLAFMIMBFJHEK-HNNXBMFYSA-N 1 2 371.363 1.574 40 0 FDABLO Cc1cncc(C[N@H+]2CCC[C@]3(CC(C(=O)NCC(F)(F)F)=NO3)C2)n1 ZINC000585101126 551571011 /nfs/dbraw/zinc/57/10/11/551571011.db2.gz GRLAFMIMBFJHEK-HNNXBMFYSA-N 1 2 371.363 1.574 40 0 FDABLO COc1ccc(C[NH+]2CC3(C2)CC[C@@H](CNS(C)(=O)=O)CO3)cc1 ZINC000585105540 551572601 /nfs/dbraw/zinc/57/26/01/551572601.db2.gz ZFFOJJZDESPVCC-HNNXBMFYSA-N 1 2 354.472 1.225 40 0 FDABLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H]1c1nccnc1Nc1ncccn1 ZINC000585290447 551579827 /nfs/dbraw/zinc/57/98/27/551579827.db2.gz BIFFQMRBDPWMCS-NNTXTVRGSA-N 1 2 362.397 2.110 40 0 FDABLO CS(=O)(=O)NC[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2c[nH+]cn21 ZINC000306135153 571039052 /nfs/dbraw/zinc/03/90/52/571039052.db2.gz OJJMNFUVSIYXQR-MUBLQREKSA-N 1 2 366.468 1.091 40 0 FDABLO OCCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccccc2)[nH+]1 ZINC000328978429 571105998 /nfs/dbraw/zinc/10/59/98/571105998.db2.gz FZLVUEQBVQJDRL-UHFFFAOYSA-N 1 2 350.378 1.864 40 0 FDABLO Cc1noc(C)c1C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnccn1)CO2 ZINC000252006438 571130620 /nfs/dbraw/zinc/13/06/20/571130620.db2.gz OZAYQKLHADJKBG-OAHLLOKOSA-N 1 2 371.441 1.492 40 0 FDABLO Cc1nc2ccccn2c1CC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257243207 571153666 /nfs/dbraw/zinc/15/36/66/571153666.db2.gz IFWPAQOIZCPILH-SPYBWZPUSA-N 1 2 353.426 1.653 40 0 FDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccc(Cl)cn3)C[C@@H]2N1C1CCOCC1 ZINC000257256241 571155057 /nfs/dbraw/zinc/15/50/57/571155057.db2.gz KKQHUHMIOZMFTO-HOTGVXAUSA-N 1 2 351.834 1.326 40 0 FDABLO O=C1CO[C@H]2C[N@H+](Cc3ccc(Cl)cn3)C[C@@H]2N1C1CCOCC1 ZINC000257256241 571155059 /nfs/dbraw/zinc/15/50/59/571155059.db2.gz KKQHUHMIOZMFTO-HOTGVXAUSA-N 1 2 351.834 1.326 40 0 FDABLO CCOc1ncccc1C(=O)N(C)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257259489 571155371 /nfs/dbraw/zinc/15/53/71/571155371.db2.gz KYQCFLYZBFEOME-LJQANCHMSA-N 1 2 356.426 1.589 40 0 FDABLO CCOc1ncccc1C(=O)N(C)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257259488 571155398 /nfs/dbraw/zinc/15/53/98/571155398.db2.gz KYQCFLYZBFEOME-IBGZPJMESA-N 1 2 356.426 1.589 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)CCOc2ccccc2F)CC[N@@H+]1C(C)C ZINC000257264350 571155669 /nfs/dbraw/zinc/15/56/69/571155669.db2.gz LTZWWDNNGDTTJO-OAHLLOKOSA-N 1 2 351.422 1.262 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)CCOc2ccccc2F)CC[N@H+]1C(C)C ZINC000257264350 571155671 /nfs/dbraw/zinc/15/56/71/571155671.db2.gz LTZWWDNNGDTTJO-OAHLLOKOSA-N 1 2 351.422 1.262 40 0 FDABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)Cc3ccccc3F)C2)nc[nH+]1 ZINC000257288017 571158364 /nfs/dbraw/zinc/15/83/64/571158364.db2.gz PSLQRGZBSQVEKX-LJQANCHMSA-N 1 2 358.417 1.566 40 0 FDABLO CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]12 ZINC000257293235 571159055 /nfs/dbraw/zinc/15/90/55/571159055.db2.gz QOQVEGSQRAWVRO-IXDOHACOSA-N 1 2 354.458 1.827 40 0 FDABLO Cc1[nH+]cc(-c2cncc(C3CCN(S(=O)(=O)N(C)C)CC3)n2)n1C ZINC000257318909 571161361 /nfs/dbraw/zinc/16/13/61/571161361.db2.gz VPXSZWSSRHEKNY-UHFFFAOYSA-N 1 2 364.475 1.171 40 0 FDABLO Cc1c(C[N@@H+]2CCC[C@H](Cc3n[nH]cc3S(C)(=O)=O)C2)cnn1C ZINC000257321216 571161683 /nfs/dbraw/zinc/16/16/83/571161683.db2.gz WAPTZUKYDKFSFC-CYBMUJFWSA-N 1 2 351.476 1.310 40 0 FDABLO Cc1c(C[N@H+]2CCC[C@H](Cc3n[nH]cc3S(C)(=O)=O)C2)cnn1C ZINC000257321216 571161684 /nfs/dbraw/zinc/16/16/84/571161684.db2.gz WAPTZUKYDKFSFC-CYBMUJFWSA-N 1 2 351.476 1.310 40 0 FDABLO COc1cc(N2Cc3ccnn3C[C@H](CNc3cccc[nH+]3)C2)ncn1 ZINC000306123037 571212853 /nfs/dbraw/zinc/21/28/53/571212853.db2.gz ACZKSORLJDTKGW-CQSZACIVSA-N 1 2 351.414 1.825 40 0 FDABLO Cc1ccc(C[NH+]2CC3(C2)CC[C@H](CNS(=O)(=O)C2CC2)CO3)o1 ZINC000306133463 571214231 /nfs/dbraw/zinc/21/42/31/571214231.db2.gz MMEJZPKHCBUAMJ-CQSZACIVSA-N 1 2 354.472 1.651 40 0 FDABLO Cc1nc(NC(=S)NCC[NH+]2CCOCC2)ccc1Br ZINC000223891685 209772369 /nfs/dbraw/zinc/77/23/69/209772369.db2.gz TZFNPBDLRDDNSY-UHFFFAOYSA-N 1 2 359.293 1.771 40 0 FDABLO Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=[NH+][C@@H]2c1ccccc1Cl ZINC000104279723 209259297 /nfs/dbraw/zinc/25/92/97/209259297.db2.gz UTLNGNXQYJDZNJ-HNNXBMFYSA-N 1 2 359.817 1.866 40 0 FDABLO CN(C)c1[nH+]c2c(cc1C(=O)N1CCCC1)CCN(c1ccncn1)CC2 ZINC000096260393 209146404 /nfs/dbraw/zinc/14/64/04/209146404.db2.gz XCFJBPVJVPZHDC-UHFFFAOYSA-N 1 2 366.469 1.779 40 0 FDABLO CCS(=O)(=O)N1Cc2c[nH+]cn2C[C@@H](COCc2ccccn2)C1 ZINC000096209347 209136874 /nfs/dbraw/zinc/13/68/74/209136874.db2.gz HRTMGKZKNCZMGJ-CQSZACIVSA-N 1 2 350.444 1.276 40 0 FDABLO CCN1C(=O)C[C@@H](c2cnn(C)c2)C12CC[NH+](Cc1nccn1C)CC2 ZINC000096199878 209132607 /nfs/dbraw/zinc/13/26/07/209132607.db2.gz QZABNNVJHDOLTB-INIZCTEOSA-N 1 2 356.474 1.524 40 0 FDABLO CC(C)N1C[C@]2(CO[C@@H](C(=O)NCC[NH+]3CCOCC3)C2)c2ccccc21 ZINC000096144457 209121753 /nfs/dbraw/zinc/12/17/53/209121753.db2.gz PMWOXOJZCLLLLO-TZIWHRDSSA-N 1 2 373.497 1.390 40 0 FDABLO O=S(=O)(c1ccc(F)cc1)N1CC[C@]2(C[C@H](n3cc[nH+]c3)CO2)C1 ZINC000096072844 209107369 /nfs/dbraw/zinc/10/73/69/209107369.db2.gz UUKPOZLZXYSINW-HOCLYGCPSA-N 1 2 351.403 1.817 40 0 FDABLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000019496214 220260334 /nfs/dbraw/zinc/26/03/34/220260334.db2.gz RTVJRJLMDQXMFP-HOCLYGCPSA-N 1 2 373.501 1.423 40 0 FDABLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000019496214 220260339 /nfs/dbraw/zinc/26/03/39/220260339.db2.gz RTVJRJLMDQXMFP-HOCLYGCPSA-N 1 2 373.501 1.423 40 0 FDABLO C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NCC[NH+]2CCOCC2)n1 ZINC000019457500 220258732 /nfs/dbraw/zinc/25/87/32/220258732.db2.gz ZENOPKKWXRSGRU-GFCCVEGCSA-N 1 2 366.853 1.168 40 0 FDABLO COc1cccc(-c2noc(CCC(=O)NCC[NH+]3CCOCC3)n2)c1 ZINC000041185218 208284103 /nfs/dbraw/zinc/28/41/03/208284103.db2.gz AYDQVFHIWIXJFC-UHFFFAOYSA-N 1 2 360.414 1.126 40 0 FDABLO CCCCCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000041334372 208284207 /nfs/dbraw/zinc/28/42/07/208284207.db2.gz ONUDMKIGYJGMEK-UHFFFAOYSA-N 1 2 353.488 1.543 40 0 FDABLO COc1ccc(CN2C(=O)CO[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]32)cc1 ZINC000067897224 221302156 /nfs/dbraw/zinc/30/21/56/221302156.db2.gz YXQRJCBRBZUELY-MOPGFXCFSA-N 1 2 353.422 1.702 40 0 biogenic,in-vitro FDABLO COc1ccc(CN2C(=O)CO[C@H]3C[N@H+](Cc4ccccn4)C[C@H]32)cc1 ZINC000067897224 221302160 /nfs/dbraw/zinc/30/21/60/221302160.db2.gz YXQRJCBRBZUELY-MOPGFXCFSA-N 1 2 353.422 1.702 40 0 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/nfs/dbraw/zinc/22/59/94/522225994.db2.gz RLIOZGKSXGRGEB-UHFFFAOYSA-N 1 2 369.425 1.892 40 0 FDABLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000124848817 525091753 /nfs/dbraw/zinc/09/17/53/525091753.db2.gz TTYXYXUTLKDTET-LBPRGKRZSA-N 1 2 370.862 1.410 40 0 FDABLO CCOC(=O)[C@@]1(CC)[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000100420195 525214110 /nfs/dbraw/zinc/21/41/10/525214110.db2.gz QXYJPYRNFVYREE-YGTYGHESSA-N 1 2 360.410 1.282 40 0 FDABLO Cc1ncsc1C[N@@H+]1Cc2ncn(C)c2[C@H](C(=O)N2CCOCC2)C1 ZINC000248003319 537162158 /nfs/dbraw/zinc/16/21/58/537162158.db2.gz BHFGJURWXUIZKR-CYBMUJFWSA-N 1 2 361.471 1.143 40 0 FDABLO Cc1ncsc1C[N@H+]1Cc2ncn(C)c2[C@H](C(=O)N2CCOCC2)C1 ZINC000248003319 537162161 /nfs/dbraw/zinc/16/21/61/537162161.db2.gz BHFGJURWXUIZKR-CYBMUJFWSA-N 1 2 361.471 1.143 40 0 FDABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)s1 ZINC000248048255 537164380 /nfs/dbraw/zinc/16/43/80/537164380.db2.gz AKBSECMAMHJAFR-AWEZNQCLSA-N 1 2 354.501 1.749 40 0 FDABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)s1 ZINC000248048255 537164382 /nfs/dbraw/zinc/16/43/82/537164382.db2.gz AKBSECMAMHJAFR-AWEZNQCLSA-N 1 2 354.501 1.749 40 0 FDABLO CN(C)c1cc(N2CC3(C2)C[C@H](OCc2ccccn2)CCO3)nc[nH+]1 ZINC000248079675 537165731 /nfs/dbraw/zinc/16/57/31/537165731.db2.gz CKXZYSGOAFSGLL-MRXNPFEDSA-N 1 2 355.442 1.892 40 0 FDABLO CN(C)c1cc(N2CC3(C2)C[C@H](OCc2ccccn2)CCO3)[nH+]cn1 ZINC000248079675 537165734 /nfs/dbraw/zinc/16/57/34/537165734.db2.gz CKXZYSGOAFSGLL-MRXNPFEDSA-N 1 2 355.442 1.892 40 0 FDABLO CCS(=O)(=O)NC[C@@H]1CN(Cc2ccc(C)s2)Cc2c[nH+]cn21 ZINC000248095341 537166047 /nfs/dbraw/zinc/16/60/47/537166047.db2.gz MLOLZENMVFSYHU-CQSZACIVSA-N 1 2 354.501 1.749 40 0 FDABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@H]3CCNC(=O)c2cccn2C)cn1 ZINC000248166193 537169749 /nfs/dbraw/zinc/16/97/49/537169749.db2.gz ZWMWTHQAHDWCJD-MRXNPFEDSA-N 1 2 357.458 1.170 40 0 FDABLO CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222824445 537513412 /nfs/dbraw/zinc/51/34/12/537513412.db2.gz MGHSTQNRHGIHNU-AWEZNQCLSA-N 1 2 367.877 1.525 40 0 FDABLO CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000223377468 537524737 /nfs/dbraw/zinc/52/47/37/537524737.db2.gz JBIUXZAJSRFXOP-MRXNPFEDSA-N 1 2 369.487 1.014 40 0 FDABLO CC(C)[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000225223016 537543579 /nfs/dbraw/zinc/54/35/79/537543579.db2.gz KLQZMMVJQUNHAK-OAHLLOKOSA-N 1 2 367.515 1.538 40 0 FDABLO Cc1cc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)NC3CCCC3)C2)n(C)n1 ZINC000306125206 537600094 /nfs/dbraw/zinc/60/00/94/537600094.db2.gz CJHHDPCXNCWHFG-INIZCTEOSA-N 1 2 356.474 1.620 40 0 FDABLO Cc1cc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)NC3CCCC3)C2)n(C)n1 ZINC000306125206 537600098 /nfs/dbraw/zinc/60/00/98/537600098.db2.gz CJHHDPCXNCWHFG-INIZCTEOSA-N 1 2 356.474 1.620 40 0 FDABLO O=S1(=O)CC[C@H]([N@@H+](CCCN2CCOCC2)Cc2cccc(F)c2)C1 ZINC000575420847 550462374 /nfs/dbraw/zinc/46/23/74/550462374.db2.gz KOJCVDOTHWXHLR-SFHVURJKSA-N 1 2 370.490 1.537 40 0 FDABLO O=S1(=O)CC[C@H]([N@H+](CCCN2CCOCC2)Cc2cccc(F)c2)C1 ZINC000575420847 550462375 /nfs/dbraw/zinc/46/23/75/550462375.db2.gz KOJCVDOTHWXHLR-SFHVURJKSA-N 1 2 370.490 1.537 40 0 FDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccc2c(c1)OCCCO2 ZINC000585094745 551568542 /nfs/dbraw/zinc/56/85/42/551568542.db2.gz KHGDRNDMNNMQGD-AWEZNQCLSA-N 1 2 357.410 1.795 40 0 FDABLO Cc1cc(C[N@H+]2CCn3c(COc4cccnc4)nnc3C[C@@H]2C)n[nH]1 ZINC000585097572 551569739 /nfs/dbraw/zinc/56/97/39/551569739.db2.gz MCCDHWJPGSZYER-AWEZNQCLSA-N 1 2 353.430 1.730 40 0 FDABLO Cc1cc(C[N@@H+]2CCn3c(COc4cccnc4)nnc3C[C@@H]2C)n[nH]1 ZINC000585097572 551569740 /nfs/dbraw/zinc/56/97/40/551569740.db2.gz MCCDHWJPGSZYER-AWEZNQCLSA-N 1 2 353.430 1.730 40 0 FDABLO C[N@@H+]1CCO[C@@H](CNC(=O)c2nc3c(o2)CCN(Cc2ccccc2)C3)C1 ZINC000585112071 551574120 /nfs/dbraw/zinc/57/41/20/551574120.db2.gz KRHWQMVHYQWCQO-INIZCTEOSA-N 1 2 370.453 1.293 40 0 FDABLO C[N@H+]1CCO[C@@H](CNC(=O)c2nc3c(o2)CCN(Cc2ccccc2)C3)C1 ZINC000585112071 551574123 /nfs/dbraw/zinc/57/41/23/551574123.db2.gz KRHWQMVHYQWCQO-INIZCTEOSA-N 1 2 370.453 1.293 40 0 FDABLO Cn1ccc(CC(=O)N2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)n1 ZINC000585113557 551575091 /nfs/dbraw/zinc/57/50/91/551575091.db2.gz QHGVWIITEQQXFB-LJQANCHMSA-N 1 2 355.442 1.113 40 0 FDABLO Cc1ccc(C[C@H]2CCN(C(=O)/C=C/C[NH+]3CCOCC3)C[C@H]2O)cc1 ZINC000585290308 551579917 /nfs/dbraw/zinc/57/99/17/551579917.db2.gz BJSPPPLNHKENTN-HNPUZTMESA-N 1 2 358.482 1.635 40 0 FDABLO Cc1cccc(C[C@H]2CCN(C(=O)/C=C/C[NH+]3CCOCC3)C[C@@H]2O)c1 ZINC000585291138 551580396 /nfs/dbraw/zinc/58/03/96/551580396.db2.gz KOGJYLZXJQRQBB-WWPFTFTGSA-N 1 2 358.482 1.635 40 0 FDABLO CN(C)C(=O)NC[C@@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000306135449 571039569 /nfs/dbraw/zinc/03/95/69/571039569.db2.gz ORAOVPRDKCDITH-GOSISDBHSA-N 1 2 357.458 1.728 40 0 FDABLO CN(C)C(=O)NC[C@@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000306135449 571039572 /nfs/dbraw/zinc/03/95/72/571039572.db2.gz ORAOVPRDKCDITH-GOSISDBHSA-N 1 2 357.458 1.728 40 0 FDABLO 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SRCCRYCIVAHWIJ-LJQANCHMSA-N 1 2 356.426 1.662 40 0 FDABLO CCc1noc(CCC(=O)N(C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)n1 ZINC000257317103 571161343 /nfs/dbraw/zinc/16/13/43/571161343.db2.gz VIKWSXBQXHVWAO-GOSISDBHSA-N 1 2 359.430 1.059 40 0 FDABLO CC(=O)NCc1cnn(-c2ccccc2C(=O)NCCCn2cc[nH+]c2)c1 ZINC000257337426 210003558 /nfs/dbraw/zinc/00/35/58/210003558.db2.gz YSSAQLVMABYGTD-UHFFFAOYSA-N 1 2 366.425 1.525 40 0 FDABLO CCCn1c2ccc(S(=O)(=O)N3CC[NH+](CC)CC3)cc2sc1=O ZINC000225726429 209831088 /nfs/dbraw/zinc/83/10/88/209831088.db2.gz LKMSPROSHKNIKB-UHFFFAOYSA-N 1 2 369.512 1.799 40 0 FDABLO CCOC(=O)[C@@]1(CC)[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000100420671 209482157 /nfs/dbraw/zinc/48/21/57/209482157.db2.gz HSGRKWCSKYMMPD-QOIOWGMHSA-N 1 2 374.437 1.673 40 0 FDABLO Cc1csc(C[N@@H+]2CC[C@@H]3OCCN(C(=O)c4cccnc4)[C@H]3C2)n1 ZINC000108530417 209288529 /nfs/dbraw/zinc/28/85/29/209288529.db2.gz RLVAGCGLZSDWGN-HOTGVXAUSA-N 1 2 358.467 1.962 40 0 FDABLO Cc1csc(C[N@H+]2CC[C@@H]3OCCN(C(=O)c4cccnc4)[C@H]3C2)n1 ZINC000108530417 209288531 /nfs/dbraw/zinc/28/85/31/209288531.db2.gz RLVAGCGLZSDWGN-HOTGVXAUSA-N 1 2 358.467 1.962 40 0 FDABLO COC[C@H]1CC2(CN1S(C)(=O)=O)CC[NH+](Cc1nccs1)CC2 ZINC000096208655 209136867 /nfs/dbraw/zinc/13/68/67/209136867.db2.gz MKDKCZIWZVEJOG-CYBMUJFWSA-N 1 2 359.517 1.406 40 0 FDABLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)c4cnccn4)C[C@@H]3C2)cs1 ZINC000096108143 209113220 /nfs/dbraw/zinc/11/32/20/209113220.db2.gz OOVBLNAJJMPAPK-XJKSGUPXSA-N 1 2 359.455 1.215 40 0 FDABLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)c4cnccn4)C[C@@H]3C2)cs1 ZINC000096108143 209113222 /nfs/dbraw/zinc/11/32/22/209113222.db2.gz OOVBLNAJJMPAPK-XJKSGUPXSA-N 1 2 359.455 1.215 40 0 FDABLO CCOC(=O)CNC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2CC)C1 ZINC000012145816 207342700 /nfs/dbraw/zinc/34/27/00/207342700.db2.gz DITSUWNGEQLMRE-AWEZNQCLSA-N 1 2 358.442 1.952 40 0 FDABLO C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc1cccs1)c1nccs1 ZINC000012225856 207349691 /nfs/dbraw/zinc/34/96/91/207349691.db2.gz GUUBBLMTXBVKIB-STQMWFEESA-N 1 2 364.496 1.425 40 0 FDABLO C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc1cccs1)c1nccs1 ZINC000012225856 207349698 /nfs/dbraw/zinc/34/96/98/207349698.db2.gz GUUBBLMTXBVKIB-STQMWFEESA-N 1 2 364.496 1.425 40 0 FDABLO CCOC(=O)Cn1cc(C[N@@H+]2CCn3c(CO)nnc3C2)c2ccccc21 ZINC000012222166 207350310 /nfs/dbraw/zinc/35/03/10/207350310.db2.gz GAUZNVPFJHEYOV-UHFFFAOYSA-N 1 2 369.425 1.304 40 0 FDABLO CCOC(=O)Cn1cc(C[N@H+]2CCn3c(CO)nnc3C2)c2ccccc21 ZINC000012222166 207350313 /nfs/dbraw/zinc/35/03/13/207350313.db2.gz GAUZNVPFJHEYOV-UHFFFAOYSA-N 1 2 369.425 1.304 40 0 FDABLO COCCC(=O)N1CCc2[nH+]c(N3CCOCC3)nc(NC(C)C)c2C1 ZINC000096254306 132224213 /nfs/dbraw/zinc/22/42/13/132224213.db2.gz SULUZVUOQBYGKA-UHFFFAOYSA-N 1 2 363.462 1.055 40 0 FDABLO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cccnc3C)C2)nc[nH+]1 ZINC000257250088 132295387 /nfs/dbraw/zinc/29/53/87/132295387.db2.gz JKZFOVNLXZXABP-LJQANCHMSA-N 1 2 355.442 1.592 40 0 FDABLO CCOC(=O)Nc1cc(S(=O)(=O)N2CC[NH+](CC)CC2)ccc1OC ZINC000408586255 263475944 /nfs/dbraw/zinc/47/59/44/263475944.db2.gz MVBOPXVVHXOLPQ-UHFFFAOYSA-N 1 2 371.459 1.590 40 0 FDABLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1ccccn1 ZINC000007099779 518402565 /nfs/dbraw/zinc/40/25/65/518402565.db2.gz XYILXHDAGGHEKM-UHFFFAOYSA-N 1 2 353.426 1.222 40 0 FDABLO COc1ccc2c(c1)[nH]cc(NC(=O)NCCC[NH+]1CCOCC1)c2=O ZINC000013566013 518660069 /nfs/dbraw/zinc/66/00/69/518660069.db2.gz IZDYLAFRJYIPHJ-UHFFFAOYSA-N 1 2 360.414 1.381 40 0 FDABLO O=C([C@@H]1Cc2[nH]c[nH+]c2CN1Cc1ccc(Cl)cc1)N1CCOCC1 ZINC000015676234 518729784 /nfs/dbraw/zinc/72/97/84/518729784.db2.gz BFAZFYHEWNRTGR-KRWDZBQOSA-N 1 2 360.845 1.849 40 0 biogenic,in-vitro FDABLO O=C([C@@H]1Cc2[nH+]c[nH]c2CN1Cc1ccc(Cl)cc1)N1CCOCC1 ZINC000015676234 518729793 /nfs/dbraw/zinc/72/97/93/518729793.db2.gz BFAZFYHEWNRTGR-KRWDZBQOSA-N 1 2 360.845 1.849 40 0 biogenic,in-vitro FDABLO CCOC(=O)[C@]1(CC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000019500747 518815339 /nfs/dbraw/zinc/81/53/39/518815339.db2.gz OWDXQNUTULMXQF-XMDUPGNXSA-N 1 2 360.410 1.370 40 0 FDABLO COc1ccc(C[NH+]2CCN(c3ncc4c(n3)CCOC4)CC2)cc1OC ZINC000019561114 518818570 /nfs/dbraw/zinc/81/85/70/518818570.db2.gz XNOMLZTZAJACOQ-UHFFFAOYSA-N 1 2 370.453 1.889 40 0 FDABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@H](C(=O)NCc1ccccc1)CC(=O)N2 ZINC000019820002 518837662 /nfs/dbraw/zinc/83/76/62/518837662.db2.gz CXRVOCMRZNGYMG-CYBMUJFWSA-N 1 2 366.425 1.401 40 0 FDABLO CCn1c2cc(C)oc2c2cnn(CC(=O)NCCc3c[nH+]c[nH]3)c(=O)c21 ZINC000072335358 522217644 /nfs/dbraw/zinc/21/76/44/522217644.db2.gz PJBXTIRBXZMTNS-UHFFFAOYSA-N 1 2 368.397 1.355 40 0 FDABLO CCn1c2cc(C)oc2c2cnn(CC(=O)NCCc3c[nH]c[nH+]3)c(=O)c21 ZINC000072335358 522217654 /nfs/dbraw/zinc/21/76/54/522217654.db2.gz PJBXTIRBXZMTNS-UHFFFAOYSA-N 1 2 368.397 1.355 40 0 FDABLO COc1cccc(NC(=O)C[NH+]2CCC(Nc3nc(C)cc(=O)[nH]3)CC2)c1 ZINC000072341839 522220321 /nfs/dbraw/zinc/22/03/21/522220321.db2.gz BWDJSMIBFYCPHY-UHFFFAOYSA-N 1 2 371.441 1.602 40 0 FDABLO Cc1cc(Nc2nncs2)nc([C@@H]2CCCN(C(=O)C[NH+](C)C)C2)n1 ZINC000072360075 522225096 /nfs/dbraw/zinc/22/50/96/522225096.db2.gz ITNQQONXOCVKBC-GFCCVEGCSA-N 1 2 361.475 1.648 40 0 FDABLO CCc1nnc(Nc2cc([C@H]3CCCN3C(=O)C[NH2+]C)nc(C)n2)s1 ZINC000072360933 522225207 /nfs/dbraw/zinc/22/52/07/522225207.db2.gz RXKTXRVUNCEHOO-GFCCVEGCSA-N 1 2 361.475 1.825 40 0 FDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)CC1 ZINC000052410655 523169395 /nfs/dbraw/zinc/16/93/95/523169395.db2.gz WOBNKWTXJMBVEL-UHFFFAOYSA-N 1 2 368.503 1.790 40 0 FDABLO O=C(NC[C@H]1Cn2nccc2C[N@H+](Cc2ccc3c(c2)OCO3)C1)C1CC1 ZINC000247489551 537125513 /nfs/dbraw/zinc/12/55/13/537125513.db2.gz LWTOZCFNZOOQDP-OAHLLOKOSA-N 1 2 368.437 1.770 40 0 FDABLO O=C(NC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc3c(c2)OCO3)C1)C1CC1 ZINC000247489551 537125514 /nfs/dbraw/zinc/12/55/14/537125514.db2.gz LWTOZCFNZOOQDP-OAHLLOKOSA-N 1 2 368.437 1.770 40 0 FDABLO COc1cccc(C[NH+]2CC3(C2)OCC[C@H]3COCC(=O)N2CCCC2)c1 ZINC000247865289 537154768 /nfs/dbraw/zinc/15/47/68/537154768.db2.gz ARNMWWBBDMZZLX-SFHVURJKSA-N 1 2 374.481 1.925 40 0 FDABLO CNC(=O)[C@@H]1COC2(C[NH+](Cc3cccc4[nH]ccc43)C2)CN1CC1CC1 ZINC000247965725 537159802 /nfs/dbraw/zinc/15/98/02/537159802.db2.gz SAQGJMOTUIIDLG-IBGZPJMESA-N 1 2 368.481 1.579 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(Cc3cccc4[nH]ccc43)C2)C[N@@H+]1CC1CC1 ZINC000247965725 537159805 /nfs/dbraw/zinc/15/98/05/537159805.db2.gz SAQGJMOTUIIDLG-IBGZPJMESA-N 1 2 368.481 1.579 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(Cc3cccc4[nH]ccc43)C2)C[N@H+]1CC1CC1 ZINC000247965725 537159808 /nfs/dbraw/zinc/15/98/08/537159808.db2.gz SAQGJMOTUIIDLG-IBGZPJMESA-N 1 2 368.481 1.579 40 0 FDABLO Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223149398 537519023 /nfs/dbraw/zinc/51/90/23/537519023.db2.gz DDQLVLCESROZFA-MSOLQXFVSA-N 1 2 371.510 1.725 40 0 FDABLO C[N@@H+]1CCC[C@@H]1c1nc(C(=O)NCCN2CCOCC2)c2ccccn21 ZINC000306124852 537600893 /nfs/dbraw/zinc/60/08/93/537600893.db2.gz CAVGSWCMTBVITA-MRXNPFEDSA-N 1 2 357.458 1.163 40 0 FDABLO C[N@H+]1CCC[C@@H]1c1nc(C(=O)NCCN2CCOCC2)c2ccccn21 ZINC000306124852 537600897 /nfs/dbraw/zinc/60/08/97/537600897.db2.gz CAVGSWCMTBVITA-MRXNPFEDSA-N 1 2 357.458 1.163 40 0 FDABLO CCOc1ccccc1-c1nc(SCC(=O)N2CC[NH+](C)CC2)n[nH]1 ZINC000408557205 537848213 /nfs/dbraw/zinc/84/82/13/537848213.db2.gz NPRNYNBMMANRQI-UHFFFAOYSA-N 1 2 361.471 1.737 40 0 FDABLO Cn1c[nH+]c2c1C[C@H](COCc1ccncc1)N(C(=O)c1cocn1)C2 ZINC000585094904 551568518 /nfs/dbraw/zinc/56/85/18/551568518.db2.gz SZWYEUQUKUCBQX-CQSZACIVSA-N 1 2 353.382 1.587 40 0 FDABLO O=C(c1cccc(O)c1)N1Cc2c[nH+]cn2[C@@H](C(=O)N2CCCCO2)C1 ZINC000585095918 551569071 /nfs/dbraw/zinc/56/90/71/551569071.db2.gz BIHOVBLUKHIWSW-MRXNPFEDSA-N 1 2 356.382 1.340 40 0 FDABLO O=S(=O)(NC[C@H]1CCC2(C[NH+](Cc3ccc(F)cc3)C2)OC1)C1CC1 ZINC000585103935 551571922 /nfs/dbraw/zinc/57/19/22/551571922.db2.gz DXFIVUKVDTWMCI-OAHLLOKOSA-N 1 2 368.474 1.889 40 0 FDABLO CS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccc(Cl)cc3)C2)OC1 ZINC000585105449 551572543 /nfs/dbraw/zinc/57/25/43/551572543.db2.gz WSNLZSRQVPVYGS-AWEZNQCLSA-N 1 2 358.891 1.870 40 0 FDABLO COC[C@@]1(CC(N)=O)C[N@H+](Cc2cccc(Br)c2)CCO1 ZINC000585278156 551577942 /nfs/dbraw/zinc/57/79/42/551577942.db2.gz LZAFITWCUBRVSR-OAHLLOKOSA-N 1 2 357.248 1.542 40 0 FDABLO COC[C@@]1(CC(N)=O)C[N@@H+](Cc2cccc(Br)c2)CCO1 ZINC000585278156 551577943 /nfs/dbraw/zinc/57/79/43/551577943.db2.gz LZAFITWCUBRVSR-OAHLLOKOSA-N 1 2 357.248 1.542 40 0 FDABLO CO[C@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CC[C@@H]1Cc1ccccc1 ZINC000585291332 551580271 /nfs/dbraw/zinc/58/02/71/551580271.db2.gz PCBXYJDQUONBAT-ZLNADXECSA-N 1 2 358.482 1.981 40 0 FDABLO O[C@@H]1C[C@@H]2CN(Cc3cccnc3)CC3(CN(Cc4nccs4)C3)[N@@H+]2C1 ZINC000514289841 560031794 /nfs/dbraw/zinc/03/17/94/560031794.db2.gz PCTRELJDUUEGFL-IAGOWNOFSA-N 1 2 371.510 1.044 40 0 biogenic,in-vitro FDABLO O[C@@H]1C[C@@H]2CN(Cc3cccnc3)CC3(CN(Cc4nccs4)C3)[N@H+]2C1 ZINC000514289841 560031795 /nfs/dbraw/zinc/03/17/95/560031795.db2.gz PCTRELJDUUEGFL-IAGOWNOFSA-N 1 2 371.510 1.044 40 0 biogenic,in-vitro FDABLO CS(=O)(=O)NC[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000306137663 571040167 /nfs/dbraw/zinc/04/01/67/571040167.db2.gz RCPUDLCEBOXQFU-OAHLLOKOSA-N 1 2 359.455 1.471 40 0 FDABLO CS(=O)(=O)NC[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000306137663 571040171 /nfs/dbraw/zinc/04/01/71/571040171.db2.gz RCPUDLCEBOXQFU-OAHLLOKOSA-N 1 2 359.455 1.471 40 0 FDABLO Cc1[nH+]cc(-c2cncc([C@@H]3CCCN(C(=O)c4cnccn4)C3)n2)n1C ZINC000257261725 571155410 /nfs/dbraw/zinc/15/54/10/571155410.db2.gz LINWPVJBXSKXBS-CQSZACIVSA-N 1 2 363.425 1.995 40 0 FDABLO CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)C[N@@H+](C)Cc1ccccn1 ZINC000257306342 571160219 /nfs/dbraw/zinc/16/02/19/571160219.db2.gz STWZGVOIRRKUMC-YOUFYPILSA-N 1 2 370.497 1.904 40 0 FDABLO CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)C[N@H+](C)Cc1ccccn1 ZINC000257306342 571160221 /nfs/dbraw/zinc/16/02/21/571160221.db2.gz STWZGVOIRRKUMC-YOUFYPILSA-N 1 2 370.497 1.904 40 0 FDABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)Cc3cccc(F)c3)C2)nc[nH+]1 ZINC000257312964 571160808 /nfs/dbraw/zinc/16/08/08/571160808.db2.gz UQLFPBMQAARKCU-LJQANCHMSA-N 1 2 358.417 1.566 40 0 FDABLO CN(C)c1cc(N2C[C@H]3OC[C@@H](CNC(=O)c4ccco4)[C@H]3C2)nc[nH+]1 ZINC000306131414 571213850 /nfs/dbraw/zinc/21/38/50/571213850.db2.gz KDWFDTXACDDPBS-UMVBOHGHSA-N 1 2 357.414 1.017 40 0 FDABLO CN(C)c1cc(N2C[C@H]3OC[C@@H](CNC(=O)c4ccco4)[C@H]3C2)[nH+]cn1 ZINC000306131414 571213853 /nfs/dbraw/zinc/21/38/53/571213853.db2.gz KDWFDTXACDDPBS-UMVBOHGHSA-N 1 2 357.414 1.017 40 0 FDABLO O=C(Nc1cccc(Cl)c1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cc[nH+]c2)[C@H]1O ZINC000952844637 960127727 /nfs/dbraw/zinc/12/77/27/960127727.db2.gz DHTFEEBSJJSJCN-ARILJUKYSA-N 1 2 364.789 1.384 40 0 biogenic,in-vitro FDABLO O=C(c1cnccn1)N1Cc2c[nH+]cn2[C@@H](COCC2CCOCC2)C1 ZINC000247885287 209918228 /nfs/dbraw/zinc/91/82/28/209918228.db2.gz WVWLHVRNVMHWNT-MRXNPFEDSA-N 1 2 357.414 1.313 40 0 FDABLO CCS(=O)(=O)N1Cc2[nH+]cn(C)c2[C@H](COCC2CCOCC2)C1 ZINC000097953878 209200521 /nfs/dbraw/zinc/20/05/21/209200521.db2.gz LMMIQLUVEPPHSF-AWEZNQCLSA-N 1 2 357.476 1.112 40 0 FDABLO CN(C)c1nc(N2CCCC2)[nH+]c2c1CCN(C(=O)c1ccco1)CC2 ZINC000096254597 209145553 /nfs/dbraw/zinc/14/55/53/209145553.db2.gz IHTIWCBMFGVKNA-UHFFFAOYSA-N 1 2 355.442 1.977 40 0 FDABLO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 ZINC000096225793 209139790 /nfs/dbraw/zinc/13/97/90/209139790.db2.gz MZTPKBGUADUKSH-LJQANCHMSA-N 1 2 369.425 1.724 40 0 FDABLO Cc1noc(C)c1C[N@H+]1CC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 ZINC000096225793 209139791 /nfs/dbraw/zinc/13/97/91/209139791.db2.gz MZTPKBGUADUKSH-LJQANCHMSA-N 1 2 369.425 1.724 40 0 FDABLO O=S(=O)(C1CC1)N1CCC2(CC1)C[N@H+](Cc1ccccn1)CCO2 ZINC000096158855 209128225 /nfs/dbraw/zinc/12/82/25/209128225.db2.gz AMYBKBYIVYJMOG-UHFFFAOYSA-N 1 2 351.472 1.241 40 0 FDABLO O=S(=O)(C1CC1)N1CCC2(CC1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000096158855 209128229 /nfs/dbraw/zinc/12/82/29/209128229.db2.gz AMYBKBYIVYJMOG-UHFFFAOYSA-N 1 2 351.472 1.241 40 0 FDABLO O=S(=O)(N[C@@H]1CCO[C@]2(CC[N@H+](Cc3nccs3)C2)C1)C1CC1 ZINC000096107918 209112854 /nfs/dbraw/zinc/11/28/54/209112854.db2.gz KHORXLXSIXPBDT-IUODEOHRSA-N 1 2 357.501 1.348 40 0 FDABLO O=S(=O)(N[C@@H]1CCO[C@]2(CC[N@@H+](Cc3nccs3)C2)C1)C1CC1 ZINC000096107918 209112858 /nfs/dbraw/zinc/11/28/58/209112858.db2.gz KHORXLXSIXPBDT-IUODEOHRSA-N 1 2 357.501 1.348 40 0 FDABLO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)N1CCN1CCOCC1 ZINC000096056563 209104622 /nfs/dbraw/zinc/10/46/22/209104622.db2.gz HFYIOCCCWZSFIA-HUUCEWRRSA-N 1 2 350.488 1.041 40 0 FDABLO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)N1CCN1CCOCC1 ZINC000096056563 209104626 /nfs/dbraw/zinc/10/46/26/209104626.db2.gz HFYIOCCCWZSFIA-HUUCEWRRSA-N 1 2 350.488 1.041 40 0 FDABLO Cn1cc(C[N@H+]2Cc3ncn(C)c3[C@@H](COCC3CCOCC3)C2)cn1 ZINC000096044975 209100324 /nfs/dbraw/zinc/10/03/24/209100324.db2.gz CEPQGUGLKGIHDN-QGZVFWFLSA-N 1 2 359.474 1.696 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3ncn(C)c3[C@@H](COCC3CCOCC3)C2)cn1 ZINC000096044975 209100330 /nfs/dbraw/zinc/10/03/30/209100330.db2.gz CEPQGUGLKGIHDN-QGZVFWFLSA-N 1 2 359.474 1.696 40 0 FDABLO Cc1cccc(CN2Cc3[nH+]cn(C)c3[C@H](COCC(=O)N(C)C)C2)n1 ZINC000096044878 209099209 /nfs/dbraw/zinc/09/92/09/209099209.db2.gz FTKBFLSGJMLSON-HNNXBMFYSA-N 1 2 357.458 1.328 40 0 FDABLO Cc1c(CCC(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)cnn1C ZINC000257246636 132295349 /nfs/dbraw/zinc/29/53/49/132295349.db2.gz IVASCCWQJQYZQJ-LJQANCHMSA-N 1 2 357.458 1.204 40 0 FDABLO O=C1C[C@H](c2ccccc2O)Cc2nc(N3CC[NH+](CCO)CC3)ncc21 ZINC000020478107 132896676 /nfs/dbraw/zinc/89/66/76/132896676.db2.gz BFFMBZVJSHJNCS-CQSZACIVSA-N 1 2 368.437 1.209 40 0 FDABLO Cc1noc2ncc(S(=O)(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc12 ZINC000151243753 173394424 /nfs/dbraw/zinc/39/44/24/173394424.db2.gz JDSAKGNBVGMXEF-XHDPSFHLSA-N 1 2 361.427 2.000 40 0 FDABLO C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCCCCn1cc[nH+]c1 ZINC000019576224 263374661 /nfs/dbraw/zinc/37/46/61/263374661.db2.gz AURAOKRDZWLDII-RZQQEMMASA-N 1 2 366.421 1.867 40 0 FDABLO CC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC4(CC3)OCCO4)C2=O)cc1 ZINC000009288770 518502016 /nfs/dbraw/zinc/50/20/16/518502016.db2.gz QGZCQIKHTRZCDO-MRXNPFEDSA-N 1 2 358.394 1.360 40 0 FDABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3cnccn3)no2)cc1 ZINC000015674020 518729746 /nfs/dbraw/zinc/72/97/46/518729746.db2.gz SNOPVTZBYJOGSF-CJNGLKHVSA-N 1 2 353.382 1.843 40 0 biogenic,in-vitro FDABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3cnccn3)no2)cc1 ZINC000015674020 518729755 /nfs/dbraw/zinc/72/97/55/518729755.db2.gz SNOPVTZBYJOGSF-CJNGLKHVSA-N 1 2 353.382 1.843 40 0 biogenic,in-vitro FDABLO CCNC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000015676196 518730140 /nfs/dbraw/zinc/73/01/40/518730140.db2.gz RRPGQJFMEOSDQT-HNNXBMFYSA-N 1 2 361.833 1.836 40 0 biogenic,in-vitro FDABLO CCNC(=O)N1Cc2[nH]c[nH+]c2C[C@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000015676196 518730149 /nfs/dbraw/zinc/73/01/49/518730149.db2.gz RRPGQJFMEOSDQT-HNNXBMFYSA-N 1 2 361.833 1.836 40 0 biogenic,in-vitro FDABLO COC(=O)[C@]1(C(C)C)[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019446085 518812026 /nfs/dbraw/zinc/81/20/26/518812026.db2.gz LPXSMCWEPXOGPJ-WZTLGTBRSA-N 1 2 364.829 1.783 40 0 FDABLO CNc1nc(C2CCN(C(=O)c3ccccn3)CC2)nc2c1C[N@H+](C)CC2 ZINC000019711059 518828152 /nfs/dbraw/zinc/82/81/52/518828152.db2.gz OKYRSVJALKQEMK-UHFFFAOYSA-N 1 2 366.469 1.921 40 0 FDABLO CNc1nc(C2CCN(C(=O)c3ccccn3)CC2)nc2c1C[N@@H+](C)CC2 ZINC000019711059 518828163 /nfs/dbraw/zinc/82/81/63/518828163.db2.gz OKYRSVJALKQEMK-UHFFFAOYSA-N 1 2 366.469 1.921 40 0 FDABLO CC(C)(C)OC(=O)N1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000021984955 518888425 /nfs/dbraw/zinc/88/84/25/518888425.db2.gz WFSWEIZRWWZNTI-UHFFFAOYSA-N 1 2 359.426 1.835 40 0 FDABLO COc1cccc(OCCc2cc([C@@H]3CCN(C(=O)C[NH+](C)C)C3)n[nH]2)c1 ZINC000072371614 522226541 /nfs/dbraw/zinc/22/65/41/522226541.db2.gz DVIHMNQGDLSDRD-OAHLLOKOSA-N 1 2 372.469 1.917 40 0 FDABLO C[NH+]1CCN(C(=O)c2ccc([C@@H]3CCCN3C(=O)c3cc[nH]n3)nc2)CC1 ZINC000072374439 522229133 /nfs/dbraw/zinc/22/91/33/522229133.db2.gz BROICGIKVGYCOL-KRWDZBQOSA-N 1 2 368.441 1.170 40 0 FDABLO C[NH+]1CCN(C(=O)c2ccc([C@@H]3CCCN3C(=O)c3ccn[nH]3)nc2)CC1 ZINC000072374439 522229134 /nfs/dbraw/zinc/22/91/34/522229134.db2.gz BROICGIKVGYCOL-KRWDZBQOSA-N 1 2 368.441 1.170 40 0 FDABLO C[C@@H](C(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1)[NH+]1CCOCC1 ZINC000072393288 522230923 /nfs/dbraw/zinc/23/09/23/522230923.db2.gz HOIFNLCUNFYTJE-AWEZNQCLSA-N 1 2 371.441 1.558 40 0 FDABLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000085467230 524358956 /nfs/dbraw/zinc/35/89/56/524358956.db2.gz QGICBVHIFNFPTB-NSHDSACASA-N 1 2 352.378 1.393 40 0 FDABLO O=S(=O)(c1cccnc1)N1CC2(C1)OCC[C@@H]2CCNc1cccc[nH+]1 ZINC000247333820 537109379 /nfs/dbraw/zinc/10/93/79/537109379.db2.gz PWFQILZHICDZCW-HNNXBMFYSA-N 1 2 374.466 1.758 40 0 FDABLO COCC(=O)NC[C@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2c[nH+]cn21 ZINC000247862046 537153623 /nfs/dbraw/zinc/15/36/23/537153623.db2.gz WIASIFQIDBYPSC-AWEZNQCLSA-N 1 2 366.824 1.995 40 0 FDABLO CN(C)c1cc(N2CC3(C2)C[C@H](CCOc2ncccn2)CCO3)nc[nH+]1 ZINC000248084242 537166100 /nfs/dbraw/zinc/16/61/00/537166100.db2.gz DEPICWDDEBIUPC-OAHLLOKOSA-N 1 2 370.457 1.787 40 0 FDABLO CN(C)c1cc(N2CC3(C2)C[C@H](CCOc2ncccn2)CCO3)[nH+]cn1 ZINC000248084242 537166103 /nfs/dbraw/zinc/16/61/03/537166103.db2.gz DEPICWDDEBIUPC-OAHLLOKOSA-N 1 2 370.457 1.787 40 0 FDABLO Cn1cccc1C(=O)NC[C@H]1CCC2(C[NH+](Cc3ccccn3)C2)OC1 ZINC000248084358 537166313 /nfs/dbraw/zinc/16/63/13/537166313.db2.gz BAVNRQLEWYHLMT-MRXNPFEDSA-N 1 2 354.454 1.831 40 0 FDABLO Cn1cc(C(=O)NC[C@H]2CCC3(C[NH+](Cc4ccccn4)C3)OC2)cn1 ZINC000248153478 537169336 /nfs/dbraw/zinc/16/93/36/537169336.db2.gz UZSANVHOHBYUNF-OAHLLOKOSA-N 1 2 355.442 1.226 40 0 FDABLO COc1ccccc1CN1Cc2c[nH+]cn2[C@H](C(=O)N2CC(F)(F)C2)C1 ZINC000306124357 537599958 /nfs/dbraw/zinc/59/99/58/537599958.db2.gz BNLJOIWGURNLRU-HNNXBMFYSA-N 1 2 362.380 1.926 40 0 FDABLO C[C@@H]1c2nc(CC(=O)NCC3CCC3)cn2CC[N@H+]1Cc1cnn(C)c1 ZINC000306129965 537603210 /nfs/dbraw/zinc/60/32/10/537603210.db2.gz ISRZNELEPRAUHP-CQSZACIVSA-N 1 2 356.474 1.652 40 0 FDABLO C[C@@H]1c2nc(CC(=O)NCC3CCC3)cn2CC[N@@H+]1Cc1cnn(C)c1 ZINC000306129965 537603216 /nfs/dbraw/zinc/60/32/16/537603216.db2.gz ISRZNELEPRAUHP-CQSZACIVSA-N 1 2 356.474 1.652 40 0 FDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2COCc2cccnc2)[nH]n1 ZINC000585094937 551568482 /nfs/dbraw/zinc/56/84/82/551568482.db2.gz VITSITFHUIQKLB-KRWDZBQOSA-N 1 2 352.442 1.990 40 0 FDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2COCc2cccnc2)n[nH]1 ZINC000585094937 551568485 /nfs/dbraw/zinc/56/84/85/551568485.db2.gz VITSITFHUIQKLB-KRWDZBQOSA-N 1 2 352.442 1.990 40 0 FDABLO Cc1ccc(S(=O)(=O)N2Cc3c[nH+]cn3[C@H](C(=O)NCC3CC3)C2)cc1 ZINC000585096076 551568916 /nfs/dbraw/zinc/56/89/16/551568916.db2.gz ZGGFEFIGGSSAEM-KRWDZBQOSA-N 1 2 374.466 1.463 40 0 FDABLO Cc1ccccc1C[C@]1(CO)CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC000585275949 551576978 /nfs/dbraw/zinc/57/69/78/551576978.db2.gz BMCLBMUWSGSHBF-HXUWFJFHSA-N 1 2 357.454 1.804 40 0 FDABLO C[C@H]1c2nc(C(=O)N3CC(F)(F)C3)cn2CC[N@H+]1CC1CCOCC1 ZINC000306134566 571039133 /nfs/dbraw/zinc/03/91/33/571039133.db2.gz NSBOVEHEHAGMOI-LBPRGKRZSA-N 1 2 354.401 1.777 40 0 FDABLO C[C@H]1c2nc(C(=O)N3CC(F)(F)C3)cn2CC[N@@H+]1CC1CCOCC1 ZINC000306134566 571039138 /nfs/dbraw/zinc/03/91/38/571039138.db2.gz NSBOVEHEHAGMOI-LBPRGKRZSA-N 1 2 354.401 1.777 40 0 FDABLO Cc1cc(C[N@H+]2Cc3ccnn3C[C@H](CCNC(=O)N(C)C)C2)n(C)n1 ZINC000306142531 571042531 /nfs/dbraw/zinc/04/25/31/571042531.db2.gz XCFFRNFWTDDHFJ-OAHLLOKOSA-N 1 2 359.478 1.218 40 0 FDABLO Cc1cc(C[N@@H+]2Cc3ccnn3C[C@H](CCNC(=O)N(C)C)C2)n(C)n1 ZINC000306142531 571042535 /nfs/dbraw/zinc/04/25/35/571042535.db2.gz XCFFRNFWTDDHFJ-OAHLLOKOSA-N 1 2 359.478 1.218 40 0 FDABLO CC(C)[C@@H](CO)Nc1nc(NC[C@@H]2CCCO2)cc(-c2cccnc2)[nH+]1 ZINC000329045534 571129759 /nfs/dbraw/zinc/12/97/59/571129759.db2.gz TWHPDWFTHAAKPP-DOTOQJQBSA-N 1 2 357.458 2.558 40 0 FDABLO Cc1cc(C)n2ncc(C[N@@H+]3CCO[C@@H](c4cc(=O)[nH]c(C)n4)C3)c2n1 ZINC000257201690 571149396 /nfs/dbraw/zinc/14/93/96/571149396.db2.gz AIOXDMBEYUEJPW-MRXNPFEDSA-N 1 2 354.414 1.724 40 0 FDABLO Cc1cc(C)n2ncc(C[N@H+]3CCO[C@@H](c4cc(=O)[nH]c(C)n4)C3)c2n1 ZINC000257201690 571149397 /nfs/dbraw/zinc/14/93/97/571149397.db2.gz AIOXDMBEYUEJPW-MRXNPFEDSA-N 1 2 354.414 1.724 40 0 FDABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 ZINC000253573465 571291772 /nfs/dbraw/zinc/29/17/72/571291772.db2.gz RLHXLAPRBKCXQI-NHYWBVRUSA-N 1 2 366.364 1.872 40 0 FDABLO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 ZINC000253573465 571291773 /nfs/dbraw/zinc/29/17/73/571291773.db2.gz RLHXLAPRBKCXQI-NHYWBVRUSA-N 1 2 366.364 1.872 40 0 FDABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cc(C)ccc3OC)C2=O)C1 ZINC000250659167 890680312 /nfs/dbraw/zinc/68/03/12/890680312.db2.gz DGGODKVUHYOOCK-ZBFHGGJFSA-N 1 2 374.437 1.911 40 0 FDABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cc(C)ccc3OC)C2=O)C1 ZINC000250659167 890680320 /nfs/dbraw/zinc/68/03/20/890680320.db2.gz DGGODKVUHYOOCK-ZBFHGGJFSA-N 1 2 374.437 1.911 40 0 FDABLO Cc1ccccc1C(=O)NC[C@]1(O)CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000257274778 209983074 /nfs/dbraw/zinc/98/30/74/209983074.db2.gz NMPDGYGYPIMUCP-LJQANCHMSA-N 1 2 355.442 1.222 40 0 FDABLO Cc1ccccc1C(=O)NC[C@]1(O)CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000257274778 209983078 /nfs/dbraw/zinc/98/30/78/209983078.db2.gz NMPDGYGYPIMUCP-LJQANCHMSA-N 1 2 355.442 1.222 40 0 FDABLO CC(C)NC(=O)c1cc2c([nH+]c1N(C)C)CCN(c1ncc(F)cn1)CC2 ZINC000096260340 209146379 /nfs/dbraw/zinc/14/63/79/209146379.db2.gz GPFJETOBCHRLGA-UHFFFAOYSA-N 1 2 372.448 1.820 40 0 FDABLO O=C(COCc1nnn2c1C[N@H+](Cc1ccco1)CCC2)N1CCCC1 ZINC000096259007 209145937 /nfs/dbraw/zinc/14/59/37/209145937.db2.gz WZWLPCKAFWWAFT-UHFFFAOYSA-N 1 2 359.430 1.416 40 0 FDABLO O=C(COCc1nnn2c1C[N@@H+](Cc1ccco1)CCC2)N1CCCC1 ZINC000096259007 209145940 /nfs/dbraw/zinc/14/59/40/209145940.db2.gz WZWLPCKAFWWAFT-UHFFFAOYSA-N 1 2 359.430 1.416 40 0 FDABLO CCN1C(=O)C[C@H](c2cnn(C)c2)C12CC[NH+](Cc1nccn1C)CC2 ZINC000096199877 209132781 /nfs/dbraw/zinc/13/27/81/209132781.db2.gz QZABNNVJHDOLTB-MRXNPFEDSA-N 1 2 356.474 1.524 40 0 FDABLO C[N@@H+](Cc1cn2c(n1)CN(S(=O)(=O)C1CC1)CC2)Cc1ccco1 ZINC000096059538 209103827 /nfs/dbraw/zinc/10/38/27/209103827.db2.gz OKXASBYJBPYCOT-UHFFFAOYSA-N 1 2 350.444 1.416 40 0 FDABLO C[N@H+](Cc1cn2c(n1)CN(S(=O)(=O)C1CC1)CC2)Cc1ccco1 ZINC000096059538 209103830 /nfs/dbraw/zinc/10/38/30/209103830.db2.gz OKXASBYJBPYCOT-UHFFFAOYSA-N 1 2 350.444 1.416 40 0 FDABLO COc1ncccc1C(=O)N1Cc2[nH+]cn(C)c2[C@@H](COCC2CC2)C1 ZINC000096044949 209099926 /nfs/dbraw/zinc/09/99/26/209099926.db2.gz CYVAQGYRSJZVFX-CQSZACIVSA-N 1 2 356.426 1.990 40 0 FDABLO CC[N@@H+]1C[C@@H]2c3nc(N4CCC[C@H](C)C4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096251992 132224126 /nfs/dbraw/zinc/22/41/26/132224126.db2.gz YLOGBEBLZNAJHA-AEGPPILISA-N 1 2 350.488 1.429 40 0 FDABLO CC[N@H+]1C[C@@H]2c3nc(N4CCC[C@H](C)C4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096251992 132224128 /nfs/dbraw/zinc/22/41/28/132224128.db2.gz YLOGBEBLZNAJHA-AEGPPILISA-N 1 2 350.488 1.429 40 0 FDABLO Cc1ccnn1CCC(=O)N(C)C[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257216755 132295188 /nfs/dbraw/zinc/29/51/88/132295188.db2.gz CVXRMRBEBGGEQD-LJQANCHMSA-N 1 2 357.458 1.467 40 0 FDABLO Cn1nc(C(F)(F)F)c(Br)c1C(=O)N1CC[NH+](C)CC1 ZINC000022267173 518896693 /nfs/dbraw/zinc/89/66/93/518896693.db2.gz HDPOSCSLBDHROV-UHFFFAOYSA-N 1 2 355.158 1.589 40 0 FDABLO Cc1ccc(Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c(C)c1 ZINC000005255831 518337433 /nfs/dbraw/zinc/33/74/33/518337433.db2.gz YCTJOPAQCCKCOI-UHFFFAOYSA-N 1 2 370.457 1.905 40 0 FDABLO COCCC(=O)N1Cc2c([nH+]cn2Cc2ccccc2)C[C@H]1C(=O)OC ZINC000015676407 518730658 /nfs/dbraw/zinc/73/06/58/518730658.db2.gz DHVOKUUASBGJEU-INIZCTEOSA-N 1 2 357.410 1.394 40 0 biogenic,in-vitro FDABLO COC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000019362580 518808024 /nfs/dbraw/zinc/80/80/24/518808024.db2.gz GYEYRDLQODASDQ-GOSISDBHSA-N 1 2 372.469 1.332 40 0 FDABLO Cc1nc(C)c(C(=O)N2CCc3nnc([C@@H]4CCC[N@H+]4C)n3CC2)s1 ZINC000019706317 518827041 /nfs/dbraw/zinc/82/70/41/518827041.db2.gz DOTDZDCKWCZKHQ-ZDUSSCGKSA-N 1 2 360.487 1.817 40 0 FDABLO Cc1nc(C)c(C(=O)N2CCc3nnc([C@@H]4CCC[N@@H+]4C)n3CC2)s1 ZINC000019706317 518827048 /nfs/dbraw/zinc/82/70/48/518827048.db2.gz DOTDZDCKWCZKHQ-ZDUSSCGKSA-N 1 2 360.487 1.817 40 0 FDABLO CCOC1CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 ZINC000019715553 518829847 /nfs/dbraw/zinc/82/98/47/518829847.db2.gz GIFTZMYSFKLDJO-UHFFFAOYSA-N 1 2 351.472 1.775 40 0 FDABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000035310719 519603190 /nfs/dbraw/zinc/60/31/90/519603190.db2.gz QFLVSHPIHGKBMV-SFHVURJKSA-N 1 2 372.473 1.756 40 0 FDABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000245230231 521303842 /nfs/dbraw/zinc/30/38/42/521303842.db2.gz NQUHMJFFFHSEEE-GJRWTSMGSA-N 1 2 360.410 1.370 40 0 FDABLO CCOc1ccc([C@H]([NH3+])c2nnc(CCN3CCOCC3)[nH]2)cc1OC ZINC000095534268 525106513 /nfs/dbraw/zinc/10/65/13/525106513.db2.gz RMLPPSZHRGCYOO-KRWDZBQOSA-N 1 2 361.446 1.135 40 0 FDABLO Cn1cnc2c1[C@@H](C(=O)N1CC=CC1)C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000248010478 537162716 /nfs/dbraw/zinc/16/27/16/537162716.db2.gz DSNZSUUPBKTXIF-HNNXBMFYSA-N 1 2 366.421 1.647 40 0 FDABLO Cn1cnc2c1[C@@H](C(=O)N1CC=CC1)C[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000248010478 537162719 /nfs/dbraw/zinc/16/27/19/537162719.db2.gz DSNZSUUPBKTXIF-HNNXBMFYSA-N 1 2 366.421 1.647 40 0 FDABLO Cc1ncoc1C(=O)N1Cc2c[nH+]cn2[C@@H](COCc2ccncc2)C1 ZINC000248011058 537162811 /nfs/dbraw/zinc/16/28/11/537162811.db2.gz GGUITYLRKVKZKI-MRXNPFEDSA-N 1 2 353.382 1.988 40 0 FDABLO C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N[C@H](Cc1cccs1)c1nccs1 ZINC000248018014 537162871 /nfs/dbraw/zinc/16/28/71/537162871.db2.gz GUUBBLMTXBVKIB-CHWSQXEVSA-N 1 2 364.496 1.425 40 0 FDABLO C[N@H+]1CCNC(=O)[C@H]1CC(=O)N[C@H](Cc1cccs1)c1nccs1 ZINC000248018014 537162874 /nfs/dbraw/zinc/16/28/74/537162874.db2.gz GUUBBLMTXBVKIB-CHWSQXEVSA-N 1 2 364.496 1.425 40 0 FDABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)s1 ZINC000248048260 537164474 /nfs/dbraw/zinc/16/44/74/537164474.db2.gz AKBSECMAMHJAFR-CQSZACIVSA-N 1 2 354.501 1.749 40 0 FDABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)s1 ZINC000248048260 537164476 /nfs/dbraw/zinc/16/44/76/537164476.db2.gz AKBSECMAMHJAFR-CQSZACIVSA-N 1 2 354.501 1.749 40 0 FDABLO Cn1cc(C[NH+]2CC3(C2)CC[C@H](CNC(=O)c2cccn2C)CO3)cn1 ZINC000248152279 537169368 /nfs/dbraw/zinc/16/93/68/537169368.db2.gz ULVRDAXFQAJPOO-OAHLLOKOSA-N 1 2 357.458 1.170 40 0 FDABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccco2)N1CC[NH+]1CCOCC1 ZINC000223124549 537519035 /nfs/dbraw/zinc/51/90/35/537519035.db2.gz KHAQVLQRZOYROU-IRXDYDNUSA-N 1 2 358.467 1.979 40 0 FDABLO OCCCNc1nc(NCCc2ccncc2)cc(-c2cccnc2)[nH+]1 ZINC000329026992 537634034 /nfs/dbraw/zinc/63/40/34/537634034.db2.gz PPZGDOOOBYENRO-UHFFFAOYSA-N 1 2 350.426 1.226 40 0 FDABLO CCS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccc(OC)cc3)C2)OC1 ZINC000585104460 551571770 /nfs/dbraw/zinc/57/17/70/551571770.db2.gz IVUIAPRXOHZXFY-INIZCTEOSA-N 1 2 368.499 1.616 40 0 FDABLO CS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3ccccc3Cl)C2)OC1 ZINC000585105378 551571809 /nfs/dbraw/zinc/57/18/09/551571809.db2.gz VQBVZQKTRXMSMX-CYBMUJFWSA-N 1 2 358.891 1.870 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(Cc3cccc(OC)c3)C2)C[N@@H+]1CC1CC1 ZINC000585109326 551573100 /nfs/dbraw/zinc/57/31/00/551573100.db2.gz IYDHGLWZVKFJTO-SFHVURJKSA-N 1 2 359.470 1.106 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(Cc3cccc(OC)c3)C2)C[N@H+]1CC1CC1 ZINC000585109326 551573102 /nfs/dbraw/zinc/57/31/02/551573102.db2.gz IYDHGLWZVKFJTO-SFHVURJKSA-N 1 2 359.470 1.106 40 0 FDABLO C[N@H+](CC(=O)N1CC[C@@H](O)[C@H](Cc2ccccc2)C1)Cc1cccnc1 ZINC000585274071 551577073 /nfs/dbraw/zinc/57/70/73/551577073.db2.gz ZUTIYKYJEACZAU-WOJBJXKFSA-N 1 2 353.466 1.966 40 0 FDABLO C[N@@H+](CC(=O)N1CC[C@@H](O)[C@H](Cc2ccccc2)C1)Cc1cccnc1 ZINC000585274071 551577076 /nfs/dbraw/zinc/57/70/76/551577076.db2.gz ZUTIYKYJEACZAU-WOJBJXKFSA-N 1 2 353.466 1.966 40 0 FDABLO Cc1noc(C)c1CN1Cc2c[nH+]cn2[C@H](C(=O)NCc2cccnc2)C1 ZINC000306137898 571041054 /nfs/dbraw/zinc/04/10/54/571041054.db2.gz RJMZMGNJDXTUGF-SFHVURJKSA-N 1 2 366.425 1.756 40 0 FDABLO COc1ccc(-c2nnc3n2C2(CCN(C(C)=O)CC2)C[N@@H+](C)C3)cc1 ZINC000306141911 571041853 /nfs/dbraw/zinc/04/18/53/571041853.db2.gz WJUFCXKZMPRLLY-UHFFFAOYSA-N 1 2 355.442 1.737 40 0 FDABLO COc1ccc(-c2nnc3n2C2(CCN(C(C)=O)CC2)C[N@H+](C)C3)cc1 ZINC000306141911 571041856 /nfs/dbraw/zinc/04/18/56/571041856.db2.gz WJUFCXKZMPRLLY-UHFFFAOYSA-N 1 2 355.442 1.737 40 0 FDABLO Cc1ccc(C)c(S(=O)(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000243533368 571043353 /nfs/dbraw/zinc/04/33/53/571043353.db2.gz OESBKRBGVAEFAT-OAHLLOKOSA-N 1 2 374.528 1.043 40 0 FDABLO OCCCNc1nc(NCCc2ccccn2)cc(-c2cccnc2)[nH+]1 ZINC000328978838 571105987 /nfs/dbraw/zinc/10/59/87/571105987.db2.gz GCOGKTPSMDZDSK-UHFFFAOYSA-N 1 2 350.426 1.226 40 0 FDABLO OCCCNc1nc(NCc2cccc(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000328989611 571106247 /nfs/dbraw/zinc/10/62/47/571106247.db2.gz IKCPOKWPWXQKAJ-UHFFFAOYSA-N 1 2 353.401 1.928 40 0 FDABLO FC(F)(F)c1cc(NCC[NH+]2CCOCC2)nc(NC2CCCCC2)n1 ZINC000328989734 571106653 /nfs/dbraw/zinc/10/66/53/571106653.db2.gz IMBACQXDTKLUGU-UHFFFAOYSA-N 1 2 373.423 1.828 40 0 FDABLO Cc1ccsc1CN1Cc2c[nH+]cn2[C@H](CCNS(C)(=O)=O)C1 ZINC000253599884 571138894 /nfs/dbraw/zinc/13/88/94/571138894.db2.gz WBQOMQNJFOHCER-CYBMUJFWSA-N 1 2 354.501 1.749 40 0 FDABLO Cc1ncccc1O[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1O ZINC000257237464 571153124 /nfs/dbraw/zinc/15/31/24/571153124.db2.gz HGOWNVDZONJMAR-WMZOPIPTSA-N 1 2 358.442 1.798 40 0 FDABLO O=C1CO[C@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@@H]2N1C1CCOCC1 ZINC000257242238 571153674 /nfs/dbraw/zinc/15/36/74/571153674.db2.gz IBPZOBATWHYXQX-HOTGVXAUSA-N 1 2 352.381 1.555 40 0 FDABLO O=C1CO[C@H]2C[N@H+](Cc3cccc(F)c3F)C[C@@H]2N1C1CCOCC1 ZINC000257242238 571153677 /nfs/dbraw/zinc/15/36/77/571153677.db2.gz IBPZOBATWHYXQX-HOTGVXAUSA-N 1 2 352.381 1.555 40 0 FDABLO CCc1[nH+]ccn1CCC(=O)N1CC[C@H](c2ncc(CNC(C)=O)[nH]2)C1 ZINC000257262789 571155661 /nfs/dbraw/zinc/15/56/61/571155661.db2.gz LMXNRQZOLNZPTO-AWEZNQCLSA-N 1 2 358.446 1.211 40 0 FDABLO COCC(=O)N1CC2(CC[NH+](Cc3ncc[nH]3)CC2)C[C@@H](O)C1(C)C ZINC000257268283 571156373 /nfs/dbraw/zinc/15/63/73/571156373.db2.gz MKZWRMGWLYVMKX-CQSZACIVSA-N 1 2 350.463 1.010 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CC[N@@H+]1C(C)C ZINC000257274217 571156994 /nfs/dbraw/zinc/15/69/94/571156994.db2.gz NJZYHSKPHRGRLV-MRXNPFEDSA-N 1 2 357.458 1.163 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CC[N@H+]1C(C)C ZINC000257274217 571156996 /nfs/dbraw/zinc/15/69/96/571156996.db2.gz NJZYHSKPHRGRLV-MRXNPFEDSA-N 1 2 357.458 1.163 40 0 FDABLO CNc1ncccc1C[N@@H+]1C[C@@H]2OCC(=O)N(Cc3ccccc3)[C@H]2C1 ZINC000257281110 571157867 /nfs/dbraw/zinc/15/78/67/571157867.db2.gz ONQQLUCXNQYXMC-ROUUACIJSA-N 1 2 352.438 1.735 40 0 FDABLO CNc1ncccc1C[N@H+]1C[C@@H]2OCC(=O)N(Cc3ccccc3)[C@H]2C1 ZINC000257281110 571157869 /nfs/dbraw/zinc/15/78/69/571157869.db2.gz ONQQLUCXNQYXMC-ROUUACIJSA-N 1 2 352.438 1.735 40 0 FDABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC000257323093 571162055 /nfs/dbraw/zinc/16/20/55/571162055.db2.gz WISUJLOKULBDFF-GFCCVEGCSA-N 1 2 351.432 1.154 40 0 FDABLO Cn1nccc1C(=O)N1CCC[C@@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257328726 571162702 /nfs/dbraw/zinc/16/27/02/571162702.db2.gz XGWBRGASTJLBFR-QGZVFWFLSA-N 1 2 355.442 1.625 40 0 FDABLO O=S1(=O)CC[C@@H](COc2ccccn2)C12C[NH+](C1CCOCC1)C2 ZINC000247319769 209912998 /nfs/dbraw/zinc/91/29/98/209912998.db2.gz LGHCWNWNTVWFMB-AWEZNQCLSA-N 1 2 352.456 1.129 40 0 FDABLO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)NCc4cccnc4)[C@@H](C2)O3)cc1 ZINC000096253292 209144917 /nfs/dbraw/zinc/14/49/17/209144917.db2.gz VFSXTGWEDCDZGR-HSALFYBXSA-N 1 2 367.449 1.996 40 0 FDABLO COc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)NCc4cccnc4)[C@@H](C2)O3)cc1 ZINC000096253292 209144920 /nfs/dbraw/zinc/14/49/20/209144920.db2.gz VFSXTGWEDCDZGR-HSALFYBXSA-N 1 2 367.449 1.996 40 0 FDABLO CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096238253 209142012 /nfs/dbraw/zinc/14/20/12/209142012.db2.gz DZSMFUBLODRJAG-GOSISDBHSA-N 1 2 356.451 1.987 40 0 FDABLO O=C(c1c[nH]cn1)N1CCOC[C@@]2(C[C@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240468 209142988 /nfs/dbraw/zinc/14/29/88/209142988.db2.gz CUHMVRXQCWRHSY-RDTXWAMCSA-N 1 2 357.414 1.165 40 0 FDABLO O=C(c1cnc[nH]1)N1CCOC[C@@]2(C[C@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240468 209142991 /nfs/dbraw/zinc/14/29/91/209142991.db2.gz CUHMVRXQCWRHSY-RDTXWAMCSA-N 1 2 357.414 1.165 40 0 FDABLO CN1CCN(Cc2ccncc2)C(=O)C12CC[NH+](Cc1nccs1)CC2 ZINC000096077222 209108616 /nfs/dbraw/zinc/10/86/16/209108616.db2.gz DERJJKUPNFKMOS-UHFFFAOYSA-N 1 2 371.510 1.847 40 0 FDABLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(C(=O)N(C)C)CC3)C2=O)cs1 ZINC000096050121 209101928 /nfs/dbraw/zinc/10/19/28/209101928.db2.gz PMFHZLZHLASZHT-UHFFFAOYSA-N 1 2 365.503 1.242 40 0 FDABLO Cc1nc(CN2CC[N@H+](C)C3(CCN(C(=O)N(C)C)CC3)C2=O)cs1 ZINC000096050121 209101931 /nfs/dbraw/zinc/10/19/31/209101931.db2.gz PMFHZLZHLASZHT-UHFFFAOYSA-N 1 2 365.503 1.242 40 0 FDABLO O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096041054 209097445 /nfs/dbraw/zinc/09/74/45/209097445.db2.gz FNPGEPROSXRKTQ-BPUTZDHNSA-N 1 2 358.467 1.834 40 0 FDABLO O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096041054 209097448 /nfs/dbraw/zinc/09/74/48/209097448.db2.gz FNPGEPROSXRKTQ-BPUTZDHNSA-N 1 2 358.467 1.834 40 0 FDABLO Cc1ccc(N2C[C@]3(COCC[N@@H+](Cc4nccn4C)C3)OCC2=O)cc1 ZINC000096240091 132223524 /nfs/dbraw/zinc/22/35/24/132223524.db2.gz HUCYXSMCFXMOCH-HXUWFJFHSA-N 1 2 370.453 1.363 40 0 FDABLO Cc1ccc(N2C[C@]3(COCC[N@H+](Cc4nccn4C)C3)OCC2=O)cc1 ZINC000096240091 132223525 /nfs/dbraw/zinc/22/35/25/132223525.db2.gz HUCYXSMCFXMOCH-HXUWFJFHSA-N 1 2 370.453 1.363 40 0 FDABLO Cc1ccc(N2C[C@]3(COCCN(Cc4[nH+]ccn4C)C3)OCC2=O)cc1 ZINC000096240091 132223526 /nfs/dbraw/zinc/22/35/26/132223526.db2.gz HUCYXSMCFXMOCH-HXUWFJFHSA-N 1 2 370.453 1.363 40 0 FDABLO O=C(c1ccc[nH]1)N1CCc2[nH+]c(N3CCOCC3)nc(NC3CC3)c2C1 ZINC000096254143 132224383 /nfs/dbraw/zinc/22/43/83/132224383.db2.gz CILGFLHTZUOYKL-UHFFFAOYSA-N 1 2 368.441 1.414 40 0 FDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)CC1CC1)CC2 ZINC000096254933 132224577 /nfs/dbraw/zinc/22/45/77/132224577.db2.gz NURBJVYHVNQEIT-UHFFFAOYSA-N 1 2 359.474 1.107 40 0 FDABLO C[C@H]1CCCN(c2ccc(NC(=S)NCC[NH+]3CCOCC3)cn2)C1 ZINC000223893271 132280564 /nfs/dbraw/zinc/28/05/64/132280564.db2.gz PRUVTUAJEAIHNZ-HNNXBMFYSA-N 1 2 363.531 1.937 40 0 FDABLO COc1cc2c(cc1OC)C[N@H+](Cc1ccnc(N3CCOCC3)n1)CC2 ZINC000072348185 136144918 /nfs/dbraw/zinc/14/49/18/136144918.db2.gz UWDOLFOXBUVDBJ-UHFFFAOYSA-N 1 2 370.453 1.889 40 0 FDABLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccnc(N3CCOCC3)n1)CC2 ZINC000072348185 136144919 /nfs/dbraw/zinc/14/49/19/136144919.db2.gz UWDOLFOXBUVDBJ-UHFFFAOYSA-N 1 2 370.453 1.889 40 0 FDABLO CCC[NH2+]N1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1 ZINC000019167139 136152160 /nfs/dbraw/zinc/15/21/60/136152160.db2.gz WXFTULYJVCHMED-UHFFFAOYSA-N 1 2 367.519 1.293 40 0 FDABLO O=S(=O)(c1cccnc1)N1C[C@@H](C[NH+]2CCOCC2)c2ccccc21 ZINC000019374939 518810800 /nfs/dbraw/zinc/81/08/00/518810800.db2.gz OUVRAMIWQWPHMZ-OAHLLOKOSA-N 1 2 359.451 1.706 40 0 FDABLO Cc1c(S(=O)(=O)N2CCCN(c3cccc[nH+]3)CC2)cnn1C(F)F ZINC000019553080 518817273 /nfs/dbraw/zinc/81/72/73/518817273.db2.gz JJYRHNINDXBLES-UHFFFAOYSA-N 1 2 371.413 1.883 40 0 FDABLO C[N@H+](Cc1c2cccnc2[nH]c1C1CCCC1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000019576509 518818058 /nfs/dbraw/zinc/81/80/58/518818058.db2.gz RYTPYBVZVJDIRA-JKSUJKDBSA-N 1 2 363.483 1.810 40 0 FDABLO C[N@@H+](Cc1c2cccnc2[nH]c1C1CCCC1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000019576509 518818065 /nfs/dbraw/zinc/81/80/65/518818065.db2.gz RYTPYBVZVJDIRA-JKSUJKDBSA-N 1 2 363.483 1.810 40 0 FDABLO Cc1cc(=O)n(CCC(=O)NC[C@@H](C)[NH+]2CCOCC2)c2ccccc12 ZINC000019566549 518818508 /nfs/dbraw/zinc/81/85/08/518818508.db2.gz DZLRPIXVWNOHPC-MRXNPFEDSA-N 1 2 357.454 1.537 40 0 FDABLO CCn1ccnc1C[NH+]1CCC(c2ncc3c(n2)CCN(C(C)=O)C3)CC1 ZINC000019578062 518819403 /nfs/dbraw/zinc/81/94/03/518819403.db2.gz IGHKDMKIVDBGPM-UHFFFAOYSA-N 1 2 368.485 1.977 40 0 FDABLO CN(C)C(=O)c1ccc([C@H]2CCC[N@H+](CC(=O)Nc3ccccn3)C2)nc1 ZINC000019767356 518835472 /nfs/dbraw/zinc/83/54/72/518835472.db2.gz OIYDGQIULWWUQR-INIZCTEOSA-N 1 2 367.453 1.997 40 0 FDABLO CN(C)C(=O)c1ccc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccn3)C2)nc1 ZINC000019767356 518835477 /nfs/dbraw/zinc/83/54/77/518835477.db2.gz OIYDGQIULWWUQR-INIZCTEOSA-N 1 2 367.453 1.997 40 0 FDABLO COC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000020029434 518843131 /nfs/dbraw/zinc/84/31/31/518843131.db2.gz GYEYRDLQODASDQ-SFHVURJKSA-N 1 2 372.469 1.332 40 0 FDABLO O=C(NCCCn1cc[nH+]c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000028201810 519225766 /nfs/dbraw/zinc/22/57/66/519225766.db2.gz XQNCFLLEYACPHY-UHFFFAOYSA-N 1 2 362.455 1.488 40 0 FDABLO Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000072337464 522218556 /nfs/dbraw/zinc/21/85/56/522218556.db2.gz BTHVVWMTLAJHEY-DLTWYDFYSA-N 1 2 369.469 1.735 40 0 FDABLO Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000072337464 522218563 /nfs/dbraw/zinc/21/85/63/522218563.db2.gz BTHVVWMTLAJHEY-DLTWYDFYSA-N 1 2 369.469 1.735 40 0 FDABLO Cc1cnc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)s1 ZINC000072334598 522218670 /nfs/dbraw/zinc/21/86/70/522218670.db2.gz AZQQBGJAXPUMSW-MPYYAJLASA-N 1 2 361.471 1.638 40 0 FDABLO Cc1cnc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)s1 ZINC000072334598 522218681 /nfs/dbraw/zinc/21/86/81/522218681.db2.gz AZQQBGJAXPUMSW-MPYYAJLASA-N 1 2 361.471 1.638 40 0 FDABLO COc1ccc(NC(=O)C[NH+]2CCC(Nc3nc(C)cc(=O)[nH]3)CC2)cc1 ZINC000072341840 522220658 /nfs/dbraw/zinc/22/06/58/522220658.db2.gz PKKKRXMZFWLUQY-UHFFFAOYSA-N 1 2 371.441 1.602 40 0 FDABLO CCc1nnc(Nc2cc([C@@H]3CCCN3C(=O)C[NH2+]C)nc(C)n2)s1 ZINC000072360932 522224402 /nfs/dbraw/zinc/22/44/02/522224402.db2.gz RXKTXRVUNCEHOO-LBPRGKRZSA-N 1 2 361.475 1.825 40 0 FDABLO COc1cccc(CNc2cc(-c3cccnc3)[nH+]c(NCCCO)n2)c1 ZINC000329023898 525961664 /nfs/dbraw/zinc/96/16/64/525961664.db2.gz OWFBOFSKRIZWAM-UHFFFAOYSA-N 1 2 365.437 1.797 40 0 FDABLO CCCCNC(=O)N1CCc2[nH+]c(N3CCOCC3)nc(NC3CC3)c2C1 ZINC000096254157 535288754 /nfs/dbraw/zinc/28/87/54/535288754.db2.gz HUKLLIPVQAGSSL-UHFFFAOYSA-N 1 2 374.489 1.755 40 0 FDABLO Cc1cncc(O[C@@H]2CCOC3(CN(c4cc(N(C)C)[nH+]cn4)C3)C2)n1 ZINC000248113468 537166587 /nfs/dbraw/zinc/16/65/87/537166587.db2.gz KUHQJQRDGFFKHW-CQSZACIVSA-N 1 2 356.430 1.458 40 0 FDABLO Cc1cncc(O[C@@H]2CCOC3(CN(c4cc(N(C)C)nc[nH+]4)C3)C2)n1 ZINC000248113468 537166590 /nfs/dbraw/zinc/16/65/90/537166590.db2.gz KUHQJQRDGFFKHW-CQSZACIVSA-N 1 2 356.430 1.458 40 0 FDABLO CCS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccc(C)s3)C2)OC1 ZINC000248112242 537166748 /nfs/dbraw/zinc/16/67/48/537166748.db2.gz RHDYRXUNEXSRPY-AWEZNQCLSA-N 1 2 358.529 1.977 40 0 FDABLO CN(C)c1cc(N2CC3(C2)C[C@@H](OCC2CCOCC2)CCO3)nc[nH+]1 ZINC000248136164 537167924 /nfs/dbraw/zinc/16/79/24/537167924.db2.gz RTORBDXZKCKTPT-INIZCTEOSA-N 1 2 362.474 1.724 40 0 FDABLO CN(C)c1cc(N2CC3(C2)C[C@@H](OCC2CCOCC2)CCO3)[nH+]cn1 ZINC000248136164 537167927 /nfs/dbraw/zinc/16/79/27/537167927.db2.gz RTORBDXZKCKTPT-INIZCTEOSA-N 1 2 362.474 1.724 40 0 FDABLO CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222755367 537511547 /nfs/dbraw/zinc/51/15/47/537511547.db2.gz DRDGSWZORMOHIQ-QGZVFWFLSA-N 1 2 361.486 1.652 40 0 FDABLO CC(C)n1cc(CN2Cc3c[nH+]cn3[C@H](CCNS(C)(=O)=O)C2)cn1 ZINC000306126348 537600327 /nfs/dbraw/zinc/60/03/27/537600327.db2.gz DTDKCSXJYHVFSD-OAHLLOKOSA-N 1 2 366.491 1.157 40 0 FDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2CN2CCC(F)(F)C2)no1 ZINC000585094948 551568218 /nfs/dbraw/zinc/56/82/18/551568218.db2.gz VTELYMCLRUQRDJ-CQSZACIVSA-N 1 2 351.401 1.984 40 0 FDABLO Cc1ccc(C(=O)N2Cc3ccnn3CC[C@@H]2C[NH+]2CCOCC2)nc1 ZINC000585097595 551569821 /nfs/dbraw/zinc/56/98/21/551569821.db2.gz NDSVBZLZHBZNJM-MRXNPFEDSA-N 1 2 355.442 1.333 40 0 FDABLO Cc1nc(C(=O)N2CCC[C@@]3(CC[N@@H+]3CC(=O)N3CCCC3)C2)cs1 ZINC000585101892 551570964 /nfs/dbraw/zinc/57/09/64/551570964.db2.gz KLUPZLONFQETSD-GOSISDBHSA-N 1 2 362.499 1.754 40 0 FDABLO Cc1nc(C(=O)N2CCC[C@@]3(CC[N@H+]3CC(=O)N3CCCC3)C2)cs1 ZINC000585101892 551570967 /nfs/dbraw/zinc/57/09/67/551570967.db2.gz KLUPZLONFQETSD-GOSISDBHSA-N 1 2 362.499 1.754 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(Cc3cccc(OC)c3)C2)C[N@@H+]1CC1CC1 ZINC000585109325 551573117 /nfs/dbraw/zinc/57/31/17/551573117.db2.gz IYDHGLWZVKFJTO-GOSISDBHSA-N 1 2 359.470 1.106 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(Cc3cccc(OC)c3)C2)C[N@H+]1CC1CC1 ZINC000585109325 551573118 /nfs/dbraw/zinc/57/31/18/551573118.db2.gz IYDHGLWZVKFJTO-GOSISDBHSA-N 1 2 359.470 1.106 40 0 FDABLO Cn1ccnc1C[N@@H+]1CC[C@]2(C1)COCCN(C(=O)c1ccnc(F)c1)C2 ZINC000585113569 551574934 /nfs/dbraw/zinc/57/49/34/551574934.db2.gz WFKVHGFBGHRUJL-LJQANCHMSA-N 1 2 373.432 1.319 40 0 FDABLO Cn1ccnc1C[N@H+]1CC[C@]2(C1)COCCN(C(=O)c1ccnc(F)c1)C2 ZINC000585113569 551574935 /nfs/dbraw/zinc/57/49/35/551574935.db2.gz WFKVHGFBGHRUJL-LJQANCHMSA-N 1 2 373.432 1.319 40 0 FDABLO COc1cccc(F)c1C[N@@H+]1CCOC[C@@](CC(=O)N(C)C)(OC)C1 ZINC000585280100 551578298 /nfs/dbraw/zinc/57/82/98/551578298.db2.gz AHZHKZBASWVNIC-SFHVURJKSA-N 1 2 354.422 1.530 40 0 FDABLO COc1cccc(F)c1C[N@H+]1CCOC[C@@](CC(=O)N(C)C)(OC)C1 ZINC000585280100 551578299 /nfs/dbraw/zinc/57/82/99/551578299.db2.gz AHZHKZBASWVNIC-SFHVURJKSA-N 1 2 354.422 1.530 40 0 FDABLO C[C@]1(O)CN(C(=O)/C=C/C[NH+]2CCOCC2)CC[C@@H]1Oc1ccccc1 ZINC000585291998 551580429 /nfs/dbraw/zinc/58/04/29/551580429.db2.gz VFHSGBFSIAJLTA-OUXAZZEQSA-N 1 2 360.454 1.306 40 0 FDABLO CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000408590765 570572183 /nfs/dbraw/zinc/57/21/83/570572183.db2.gz KWJGIZZWRSSBRH-UHFFFAOYSA-N 1 2 354.476 1.496 40 0 FDABLO CCCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](CC)CC2)ccc1C ZINC000408623790 570589350 /nfs/dbraw/zinc/58/93/50/570589350.db2.gz PTOGUJUSNTXKEH-UHFFFAOYSA-N 1 2 353.488 1.461 40 0 FDABLO CC[C@@H](C)Nc1nc(NCC[NH+]2CCN(C)CC2)cc(-c2ccccn2)n1 ZINC000328963785 571104966 /nfs/dbraw/zinc/10/49/66/571104966.db2.gz BRFHAVIPVWYOAA-MRXNPFEDSA-N 1 2 369.517 1.252 40 0 FDABLO OCCCNc1nc(NCCc2ccncc2)cc(-c2ccncc2)[nH+]1 ZINC000329019250 571107334 /nfs/dbraw/zinc/10/73/34/571107334.db2.gz NVJVWOLTOUOEOX-UHFFFAOYSA-N 1 2 350.426 1.226 40 0 FDABLO Cc1nc(NC(=O)C[N@@H+]2CCC[C@@](C(N)=O)(c3ccccn3)C2)sc1C ZINC000257265086 571155951 /nfs/dbraw/zinc/15/59/51/571155951.db2.gz LXHKNYGNCADJKI-SFHVURJKSA-N 1 2 373.482 1.613 40 0 FDABLO Cc1nc(NC(=O)C[N@H+]2CCC[C@@](C(N)=O)(c3ccccn3)C2)sc1C ZINC000257265086 571155953 /nfs/dbraw/zinc/15/59/53/571155953.db2.gz LXHKNYGNCADJKI-SFHVURJKSA-N 1 2 373.482 1.613 40 0 FDABLO c1cnc(CC[C@H]2COCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)cn1 ZINC000257304963 571159848 /nfs/dbraw/zinc/15/98/48/571159848.db2.gz SNXDFDVHSXTEAW-SFHVURJKSA-N 1 2 354.458 1.700 40 0 FDABLO c1cnc(CC[C@H]2COCC[N@H+]2Cc2ccnc(N3CCCC3)n2)cn1 ZINC000257304963 571159849 /nfs/dbraw/zinc/15/98/49/571159849.db2.gz SNXDFDVHSXTEAW-SFHVURJKSA-N 1 2 354.458 1.700 40 0 FDABLO Cc1cc(N2CC[C@@](O)(CNC(=O)CCc3cccc(F)c3)C2)nc[nH+]1 ZINC000257333478 210003509 /nfs/dbraw/zinc/00/35/09/210003509.db2.gz YBSINIVMBRTEFE-LJQANCHMSA-N 1 2 358.417 1.614 40 0 FDABLO CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]12 ZINC000257327430 210001084 /nfs/dbraw/zinc/00/10/84/210001084.db2.gz XBIAFECUUIPKRE-IXDOHACOSA-N 1 2 354.458 1.827 40 0 FDABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@H]2CCNC(=O)c1cnccn1 ZINC000248041451 209922359 /nfs/dbraw/zinc/92/23/59/209922359.db2.gz OULQWJAGWRUSAW-CQSZACIVSA-N 1 2 373.482 1.653 40 0 FDABLO Cc1ccccc1S(=O)(=O)N1CC[C@@H]2OCC[N@H+](CC3CC3)[C@H]2C1 ZINC000108535867 209289754 /nfs/dbraw/zinc/28/97/54/209289754.db2.gz QPGBTXXQRLJBIO-IRXDYDNUSA-N 1 2 350.484 1.869 40 0 FDABLO Cc1ccccc1S(=O)(=O)N1CC[C@@H]2OCC[N@@H+](CC3CC3)[C@H]2C1 ZINC000108535867 209289756 /nfs/dbraw/zinc/28/97/56/209289756.db2.gz QPGBTXXQRLJBIO-IRXDYDNUSA-N 1 2 350.484 1.869 40 0 FDABLO Cc1nc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccn23)cn1C ZINC000096266808 209147375 /nfs/dbraw/zinc/14/73/75/209147375.db2.gz BCAKTKYPBUEVRU-UHFFFAOYSA-N 1 2 367.453 1.710 40 0 FDABLO CC(C)C[N@@H+]1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096230555 209140607 /nfs/dbraw/zinc/14/06/07/209140607.db2.gz ZKPWPVLFQRQHTI-FQEVSTJZSA-N 1 2 368.485 1.769 40 0 FDABLO CC(C)C[N@H+]1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096230555 209140609 /nfs/dbraw/zinc/14/06/09/209140609.db2.gz ZKPWPVLFQRQHTI-FQEVSTJZSA-N 1 2 368.485 1.769 40 0 FDABLO Cc1cccc(CO[C@H]2[C@H]3COCC[N@H+]3C[C@@H]2NC(=O)c2ccoc2)n1 ZINC000096198691 209133177 /nfs/dbraw/zinc/13/31/77/209133177.db2.gz HPYVCWZQUQBXAE-RCCFBDPRSA-N 1 2 357.410 1.381 40 0 FDABLO Cc1cccc(CO[C@H]2[C@H]3COCC[N@@H+]3C[C@@H]2NC(=O)c2ccoc2)n1 ZINC000096198691 209133181 /nfs/dbraw/zinc/13/31/81/209133181.db2.gz HPYVCWZQUQBXAE-RCCFBDPRSA-N 1 2 357.410 1.381 40 0 FDABLO Cn1cc(N2C[C@@]3(COCC[N@H+](Cc4ccc(F)cc4)C3)OCC2=O)cn1 ZINC000096051433 209103097 /nfs/dbraw/zinc/10/30/97/209103097.db2.gz CQYIYFMRVGFGSK-IBGZPJMESA-N 1 2 374.416 1.194 40 0 FDABLO Cn1cc(N2C[C@@]3(COCC[N@@H+](Cc4ccc(F)cc4)C3)OCC2=O)cn1 ZINC000096051433 209103098 /nfs/dbraw/zinc/10/30/98/209103098.db2.gz CQYIYFMRVGFGSK-IBGZPJMESA-N 1 2 374.416 1.194 40 0 FDABLO Cn1ccnc1CN1C(=O)CO[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC000067897328 221302485 /nfs/dbraw/zinc/30/24/85/221302485.db2.gz ZRKMCBCEGYPIHF-CVEARBPZSA-N 1 2 362.380 1.310 40 0 biogenic,in-vitro FDABLO Cn1ccnc1CN1C(=O)CO[C@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC000067897328 221302487 /nfs/dbraw/zinc/30/24/87/221302487.db2.gz ZRKMCBCEGYPIHF-CVEARBPZSA-N 1 2 362.380 1.310 40 0 biogenic,in-vitro FDABLO Cn1cc[nH+]c1CN1C(=O)CO[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]21 ZINC000067897328 221302490 /nfs/dbraw/zinc/30/24/90/221302490.db2.gz ZRKMCBCEGYPIHF-CVEARBPZSA-N 1 2 362.380 1.310 40 0 biogenic,in-vitro FDABLO Cn1ccnc1C[N@@H+]1CCOC[C@@]2(CN(c3ccc(F)cc3)C(=O)CO2)C1 ZINC000096240128 132223702 /nfs/dbraw/zinc/22/37/02/132223702.db2.gz RWRPWWLPCHPIGN-IBGZPJMESA-N 1 2 374.416 1.194 40 0 FDABLO Cn1ccnc1C[N@H+]1CCOC[C@@]2(CN(c3ccc(F)cc3)C(=O)CO2)C1 ZINC000096240128 132223703 /nfs/dbraw/zinc/22/37/03/132223703.db2.gz RWRPWWLPCHPIGN-IBGZPJMESA-N 1 2 374.416 1.194 40 0 FDABLO Cn1cc[nH+]c1CN1CCOC[C@@]2(CN(c3ccc(F)cc3)C(=O)CO2)C1 ZINC000096240128 132223704 /nfs/dbraw/zinc/22/37/04/132223704.db2.gz RWRPWWLPCHPIGN-IBGZPJMESA-N 1 2 374.416 1.194 40 0 FDABLO CN(C[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)CCc1ccnn1C ZINC000257271786 132296438 /nfs/dbraw/zinc/29/64/38/132296438.db2.gz MZTNKVVEWHKIGF-IBGZPJMESA-N 1 2 357.458 1.238 40 0 FDABLO CN(C[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)CCc1cccnc1 ZINC000257333198 132297260 /nfs/dbraw/zinc/29/72/60/132297260.db2.gz YAORNRNBZNORSB-FQEVSTJZSA-N 1 2 354.454 1.899 40 0 FDABLO CCN1C(=O)C(=Cc2ccc(OC)c(C[NH+]3CCOCC3)c2)NC1=S ZINC000006951389 518394542 /nfs/dbraw/zinc/39/45/42/518394542.db2.gz JVITZGLOTZPOSM-RVDMUPIBSA-N 1 2 361.467 1.605 40 0 FDABLO C[N@@H+]1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccccn2)no1 ZINC000012529781 518618402 /nfs/dbraw/zinc/61/84/02/518618402.db2.gz CNXXMUJRUUPADQ-WFASDCNBSA-N 1 2 350.382 1.702 40 0 biogenic,in-vitro FDABLO C[N@H+]1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccccn2)no1 ZINC000012529781 518618410 /nfs/dbraw/zinc/61/84/10/518618410.db2.gz CNXXMUJRUUPADQ-WFASDCNBSA-N 1 2 350.382 1.702 40 0 biogenic,in-vitro FDABLO CNc1nc([C@@H]2CCCN(C(=O)c3ccccn3)C2)nc2c1C[N@H+](C)CC2 ZINC000019711518 518828697 /nfs/dbraw/zinc/82/86/97/518828697.db2.gz JTTJYSMZNTYYFK-CQSZACIVSA-N 1 2 366.469 1.921 40 0 FDABLO CNc1nc([C@@H]2CCCN(C(=O)c3ccccn3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019711518 518828703 /nfs/dbraw/zinc/82/87/03/518828703.db2.gz JTTJYSMZNTYYFK-CQSZACIVSA-N 1 2 366.469 1.921 40 0 FDABLO CCCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000245230035 521255474 /nfs/dbraw/zinc/25/54/74/521255474.db2.gz KNQLHHBPRIXNKV-MFCZKXCZSA-N 1 2 374.437 1.760 40 0 FDABLO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)CC)c(N)cc2OC)C1 ZINC000077271176 523282913 /nfs/dbraw/zinc/28/29/13/523282913.db2.gz VWSSPNVLVQHWRB-GFCCVEGCSA-N 1 2 369.487 1.285 40 0 in-vitro FDABLO CC[N@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)CC)c(N)cc2OC)C1 ZINC000077271176 523282925 /nfs/dbraw/zinc/28/29/25/523282925.db2.gz VWSSPNVLVQHWRB-GFCCVEGCSA-N 1 2 369.487 1.285 40 0 in-vitro FDABLO COCC(=O)NC[C@H]1Cn2nccc2C[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000247826954 537153187 /nfs/dbraw/zinc/15/31/87/537153187.db2.gz JSALUIGMWSLONH-OAHLLOKOSA-N 1 2 372.425 1.006 40 0 FDABLO COCC(=O)NC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000247826954 537153188 /nfs/dbraw/zinc/15/31/88/537153188.db2.gz JSALUIGMWSLONH-OAHLLOKOSA-N 1 2 372.425 1.006 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)CCc3ccccc3)C2)C[N@@H+]1CC1CC1 ZINC000247938919 537158077 /nfs/dbraw/zinc/15/80/77/537158077.db2.gz HVAHNEVYNUNUBA-SFHVURJKSA-N 1 2 371.481 1.057 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)CCc3ccccc3)C2)C[N@H+]1CC1CC1 ZINC000247938919 537158079 /nfs/dbraw/zinc/15/80/79/537158079.db2.gz HVAHNEVYNUNUBA-SFHVURJKSA-N 1 2 371.481 1.057 40 0 FDABLO Cn1cnc2c1[C@H](C(=O)NCC1CC1)C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000248001888 537161892 /nfs/dbraw/zinc/16/18/92/537161892.db2.gz AVPPSTCQQBRZNP-OAHLLOKOSA-N 1 2 368.437 1.774 40 0 FDABLO Cn1cnc2c1[C@H](C(=O)NCC1CC1)C[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000248001888 537161894 /nfs/dbraw/zinc/16/18/94/537161894.db2.gz AVPPSTCQQBRZNP-OAHLLOKOSA-N 1 2 368.437 1.774 40 0 FDABLO CN(C)C(=O)CO[C@@H]1CCOC2(C[NH+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000248051687 537164721 /nfs/dbraw/zinc/16/47/21/537164721.db2.gz XPHBOXLEDQHGRG-OAHLLOKOSA-N 1 2 362.426 1.254 40 0 FDABLO Cc1ccnc(O[C@H]2CCOC3(CN(c4cc(N(C)C)[nH+]cn4)C3)C2)n1 ZINC000248092349 537166366 /nfs/dbraw/zinc/16/63/66/537166366.db2.gz FTNVFNNPXNKUAM-AWEZNQCLSA-N 1 2 356.430 1.458 40 0 FDABLO Cc1ccnc(O[C@H]2CCOC3(CN(c4cc(N(C)C)nc[nH+]4)C3)C2)n1 ZINC000248092349 537166368 /nfs/dbraw/zinc/16/63/68/537166368.db2.gz FTNVFNNPXNKUAM-AWEZNQCLSA-N 1 2 356.430 1.458 40 0 FDABLO O=C([O-])[C@H](Cc1c[nH+]c[nH]1)[NH2+]Cc1cnc(CCc2ccccc2)nc1 ZINC000218761690 537468074 /nfs/dbraw/zinc/46/80/74/537468074.db2.gz FLQPUOJUOHEWFS-KRWDZBQOSA-N 1 2 351.410 1.770 40 0 FDABLO O=C([O-])[C@H](Cc1c[nH]c[nH+]1)[NH2+]Cc1cnc(CCc2ccccc2)nc1 ZINC000218761690 537468076 /nfs/dbraw/zinc/46/80/76/537468076.db2.gz FLQPUOJUOHEWFS-KRWDZBQOSA-N 1 2 351.410 1.770 40 0 FDABLO CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222755297 537511446 /nfs/dbraw/zinc/51/14/46/537511446.db2.gz DRDGSWZORMOHIQ-KRWDZBQOSA-N 1 2 361.486 1.652 40 0 FDABLO CNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1C(=O)NCc1ccncc1 ZINC000225401123 537545832 /nfs/dbraw/zinc/54/58/32/537545832.db2.gz MYZBERVOLRONBX-ZWKOTPCHSA-N 1 2 352.438 1.650 40 0 biogenic,in-vitro FDABLO CNC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1C(=O)NCc1ccncc1 ZINC000225401123 537545836 /nfs/dbraw/zinc/54/58/36/537545836.db2.gz MYZBERVOLRONBX-ZWKOTPCHSA-N 1 2 352.438 1.650 40 0 biogenic,in-vitro FDABLO CCC(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(CCOC)C2=O)C1 ZINC000306129207 537602843 /nfs/dbraw/zinc/60/28/43/537602843.db2.gz HXMFDLDLZWBPHM-BEFAXECRSA-N 1 2 362.474 1.665 40 0 FDABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cccc2c1OCCO2 ZINC000585094779 551568509 /nfs/dbraw/zinc/56/85/09/551568509.db2.gz MJTLCOTZYGFCNU-CYBMUJFWSA-N 1 2 357.410 1.795 40 0 FDABLO CSCC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000585096054 551568865 /nfs/dbraw/zinc/56/88/65/551568865.db2.gz PCRNOKVJKOFRNN-AWEZNQCLSA-N 1 2 364.496 1.550 40 0 FDABLO CCS(=O)(=O)NCC[C@H]1CCOC12C[NH+](Cc1ccc(F)cc1)C2 ZINC000585103754 551571209 /nfs/dbraw/zinc/57/12/09/551571209.db2.gz ZZKJPXRPLNVKSY-HNNXBMFYSA-N 1 2 356.463 1.746 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(Cc3ccc(Cl)cc3)C2)C[N@@H+]1CC1CC1 ZINC000585109595 551573302 /nfs/dbraw/zinc/57/33/02/551573302.db2.gz XWSFQTGTOVAHDD-QGZVFWFLSA-N 1 2 363.889 1.751 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(Cc3ccc(Cl)cc3)C2)C[N@H+]1CC1CC1 ZINC000585109595 551573304 /nfs/dbraw/zinc/57/33/04/551573304.db2.gz XWSFQTGTOVAHDD-QGZVFWFLSA-N 1 2 363.889 1.751 40 0 FDABLO CCOCC(=O)N1CCc2[nH+]cc(-c3cccc(NC(C)=O)c3)n2CC1 ZINC000585111137 551573689 /nfs/dbraw/zinc/57/36/89/551573689.db2.gz FXKQEALQECWJES-UHFFFAOYSA-N 1 2 356.426 1.930 40 0 FDABLO O=C(NC[C@@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12)C1CC(F)(F)C1 ZINC000306136003 571039763 /nfs/dbraw/zinc/03/97/63/571039763.db2.gz PGHVXSKABJWNPP-JHJVBQTASA-N 1 2 357.426 1.751 40 0 FDABLO O=C(NC[C@@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12)C1CC(F)(F)C1 ZINC000306136003 571039767 /nfs/dbraw/zinc/03/97/67/571039767.db2.gz PGHVXSKABJWNPP-JHJVBQTASA-N 1 2 357.426 1.751 40 0 FDABLO COc1ccc(C[N@H+]2Cc3ccnn3[C@@H](C(=O)N3CC(F)(F)C3)C2)cc1 ZINC000306140738 571041451 /nfs/dbraw/zinc/04/14/51/571041451.db2.gz VCQSUFDFBWXBMJ-MRXNPFEDSA-N 1 2 362.380 1.926 40 0 FDABLO COc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](C(=O)N3CC(F)(F)C3)C2)cc1 ZINC000306140738 571041456 /nfs/dbraw/zinc/04/14/56/571041456.db2.gz VCQSUFDFBWXBMJ-MRXNPFEDSA-N 1 2 362.380 1.926 40 0 FDABLO Cc1cc(CN2Cc3c[nH+]cn3[C@@H](COCC(=O)N3CCCC3)C2)n(C)n1 ZINC000306142959 571042601 /nfs/dbraw/zinc/04/26/01/571042601.db2.gz XPEGJAVUYOGHQO-GOSISDBHSA-N 1 2 372.473 1.121 40 0 FDABLO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1C ZINC000244325750 571053730 /nfs/dbraw/zinc/05/37/30/571053730.db2.gz XKZYEOIZBITFSS-HNNXBMFYSA-N 1 2 374.528 1.043 40 0 FDABLO CC[C@@H](C)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2ccccn2)n1 ZINC000328985307 571106371 /nfs/dbraw/zinc/10/63/71/571106371.db2.gz HSNVVBCZNUOWOU-OAHLLOKOSA-N 1 2 356.474 1.337 40 0 FDABLO C[C@@H](CO)Nc1nc(NCCc2ccncc2)cc(-c2cccnc2)[nH+]1 ZINC000329051438 571108707 /nfs/dbraw/zinc/10/87/07/571108707.db2.gz UXGGOOYGSIZACK-AWEZNQCLSA-N 1 2 350.426 1.225 40 0 FDABLO O=C([O-])CNc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccccc2)[nH+]1 ZINC000329049087 571108818 /nfs/dbraw/zinc/10/88/18/571108818.db2.gz UOFMEUILMXKHJI-UHFFFAOYSA-N 1 2 355.442 1.286 40 0 FDABLO Cc1ccsc1C(=O)N1Cc2c[nH+]cn2[C@H](CCNS(C)(=O)=O)C1 ZINC000253598260 571138832 /nfs/dbraw/zinc/13/88/32/571138832.db2.gz FBONEYPGHWZXES-GFCCVEGCSA-N 1 2 368.484 1.389 40 0 FDABLO CN1CC2(C[NH+](Cc3cccs3)C2)OC[C@H]1C(=O)N1CCCCO1 ZINC000253613015 571139455 /nfs/dbraw/zinc/13/94/55/571139455.db2.gz OIHBDAJNMXLYFW-HNNXBMFYSA-N 1 2 351.472 1.187 40 0 FDABLO Cc1cc(N2CC[C@](O)(CNC(=O)CCOc3ccccc3)C2)nc[nH+]1 ZINC000257209113 571150083 /nfs/dbraw/zinc/15/00/83/571150083.db2.gz BPBDRFJGRZKFFC-IBGZPJMESA-N 1 2 356.426 1.312 40 0 FDABLO COCCn1cc(C(=O)N2CC[N@H+](C)[C@@H](C(=O)N(C)C)C2)c2ccccc21 ZINC000257284646 571158106 /nfs/dbraw/zinc/15/81/06/571158106.db2.gz PDRFCRKKMOKAMS-GOSISDBHSA-N 1 2 372.469 1.132 40 0 FDABLO COCCn1cc(C(=O)N2CC[N@@H+](C)[C@@H](C(=O)N(C)C)C2)c2ccccc21 ZINC000257284646 571158108 /nfs/dbraw/zinc/15/81/08/571158108.db2.gz PDRFCRKKMOKAMS-GOSISDBHSA-N 1 2 372.469 1.132 40 0 FDABLO Nc1cc(CC[C@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)cc[nH+]1 ZINC000257293232 571158935 /nfs/dbraw/zinc/15/89/35/571158935.db2.gz QOQHTJOXGZBORV-AWEZNQCLSA-N 1 2 352.398 1.409 40 0 FDABLO CC(=O)NCc1nccnc1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000257317472 571161428 /nfs/dbraw/zinc/16/14/28/571161428.db2.gz VJVVMBCYNKZTNY-UHFFFAOYSA-N 1 2 356.430 1.106 40 0 FDABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)C1 ZINC000250714076 890706712 /nfs/dbraw/zinc/70/67/12/890706712.db2.gz ZPAVNLDTZBCRBP-JSGCOSHPSA-N 1 2 374.393 1.322 40 0 FDABLO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)C1 ZINC000250714076 890706723 /nfs/dbraw/zinc/70/67/23/890706723.db2.gz ZPAVNLDTZBCRBP-JSGCOSHPSA-N 1 2 374.393 1.322 40 0 FDABLO Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccncc2Cl)[C@@H]1O ZINC000952844902 960131763 /nfs/dbraw/zinc/13/17/63/960131763.db2.gz RSYSGMWLNUSNSC-DGXTUMSLSA-N 1 2 350.806 1.055 40 0 biogenic,in-vitro FDABLO Cn1cc(CN2CCc3[nH+]cn(C)c3[C@@H]2COCc2cccnc2)cn1 ZINC000096187720 209131668 /nfs/dbraw/zinc/13/16/68/209131668.db2.gz ZJLZZDPJJHZWIK-SFHVURJKSA-N 1 2 352.442 1.865 40 0 FDABLO COc1ccc(C(=O)NC2CC[NH+](CC(=O)NCc3ccco3)CC2)cc1 ZINC000035291848 207121335 /nfs/dbraw/zinc/12/13/35/207121335.db2.gz OTQDKEZEXVBHFA-UHFFFAOYSA-N 1 2 371.437 1.799 40 0 FDABLO O=C(C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)NC1CCCCC1 ZINC000012144567 207342078 /nfs/dbraw/zinc/34/20/78/207342078.db2.gz WYUFBMFPRRYGOP-UHFFFAOYSA-N 1 2 359.474 1.177 40 0 FDABLO O=C(C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)NC1CCCCC1 ZINC000012144567 207342082 /nfs/dbraw/zinc/34/20/82/207342082.db2.gz WYUFBMFPRRYGOP-UHFFFAOYSA-N 1 2 359.474 1.177 40 0 FDABLO Cn1cc(C[N@H+]2Cc3nnn(C)c3[C@H](COCc3cccnc3)C2)cn1 ZINC000096060730 209104659 /nfs/dbraw/zinc/10/46/59/209104659.db2.gz NPNXEXAARCMSFX-INIZCTEOSA-N 1 2 353.430 1.260 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3nnn(C)c3[C@H](COCc3cccnc3)C2)cn1 ZINC000096060730 209104663 /nfs/dbraw/zinc/10/46/63/209104663.db2.gz NPNXEXAARCMSFX-INIZCTEOSA-N 1 2 353.430 1.260 40 0 FDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)NCc4ccccn4)O[C@@H]3C2)no1 ZINC000096043089 209097367 /nfs/dbraw/zinc/09/73/67/209097367.db2.gz RAMIGVJINLBHHA-JCGIZDLHSA-N 1 2 356.426 1.674 40 0 FDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)NCc4ccccn4)O[C@@H]3C2)no1 ZINC000096043089 209097369 /nfs/dbraw/zinc/09/73/69/209097369.db2.gz RAMIGVJINLBHHA-JCGIZDLHSA-N 1 2 356.426 1.674 40 0 FDABLO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CN(c4cccnc4)C(=O)CO3)C2)o1 ZINC000096051339 132217946 /nfs/dbraw/zinc/21/79/46/132217946.db2.gz PZITWXIZGLZNGG-IBGZPJMESA-N 1 2 357.410 1.617 40 0 FDABLO Cc1ccc(C[N@H+]2CCOC[C@@]3(CN(c4cccnc4)C(=O)CO3)C2)o1 ZINC000096051339 132217948 /nfs/dbraw/zinc/21/79/48/132217948.db2.gz PZITWXIZGLZNGG-IBGZPJMESA-N 1 2 357.410 1.617 40 0 FDABLO Cn1cnc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(c2cccc[nH+]2)C3)c1 ZINC000096216726 132222602 /nfs/dbraw/zinc/22/26/02/132222602.db2.gz DRYHPDXLDCTWLE-KRWDZBQOSA-N 1 2 361.471 1.496 40 0 FDABLO CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CC[N@@H+](Cc1nccn1C)C2 ZINC000096230452 132223263 /nfs/dbraw/zinc/22/32/63/132223263.db2.gz DBBLZNSBVMYUQJ-HXUWFJFHSA-N 1 2 367.453 1.260 40 0 FDABLO CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CC[N@H+](Cc1nccn1C)C2 ZINC000096230452 132223264 /nfs/dbraw/zinc/22/32/64/132223264.db2.gz DBBLZNSBVMYUQJ-HXUWFJFHSA-N 1 2 367.453 1.260 40 0 FDABLO CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1[nH+]ccn1C)C2 ZINC000096230452 132223265 /nfs/dbraw/zinc/22/32/65/132223265.db2.gz DBBLZNSBVMYUQJ-HXUWFJFHSA-N 1 2 367.453 1.260 40 0 FDABLO CN(C[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)CCCn1cccn1 ZINC000257254533 132295894 /nfs/dbraw/zinc/29/58/94/132295894.db2.gz KDNSQQONQSVGIE-IBGZPJMESA-N 1 2 357.458 1.548 40 0 FDABLO Cc1noc2ncc(S(=O)(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc12 ZINC000151243815 173394765 /nfs/dbraw/zinc/39/47/65/173394765.db2.gz JDSAKGNBVGMXEF-IAQYHMDHSA-N 1 2 361.427 2.000 40 0 FDABLO C[C@H](C(=O)Nc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1)n1cc[nH+]c1 ZINC000019080550 518802837 /nfs/dbraw/zinc/80/28/37/518802837.db2.gz NRJFVXIPFUSOPG-GFCCVEGCSA-N 1 2 355.398 1.913 40 0 FDABLO COc1cc2cc(C(=O)NC[C@H](C)[NH+]3CCOCC3)n(C)c2cc1OC ZINC000019456496 518811388 /nfs/dbraw/zinc/81/13/88/518811388.db2.gz BYUNNVCBFIFPDH-ZDUSSCGKSA-N 1 2 361.442 1.646 40 0 FDABLO CCCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019502168 518814236 /nfs/dbraw/zinc/81/42/36/518814236.db2.gz KNQLHHBPRIXNKV-ULMVMLMRSA-N 1 2 374.437 1.760 40 0 FDABLO COc1ccc(CCC(=O)N2CCC[C@@H](c3nnc4n3CC[NH2+]C4)C2)cc1 ZINC000019711026 518827915 /nfs/dbraw/zinc/82/79/15/518827915.db2.gz RHQIHEIWYRNEGS-MRXNPFEDSA-N 1 2 369.469 1.729 40 0 FDABLO CC(=O)N[C@H]1Cc2ccc(S(=O)(=O)NCCNc3cccc[nH+]3)cc2C1 ZINC000019749647 518833658 /nfs/dbraw/zinc/83/36/58/518833658.db2.gz HFFCJMYNDJJYHD-INIZCTEOSA-N 1 2 374.466 1.075 40 0 FDABLO CCn1cc(C(=O)NCCC[NH+]2CCOCC2)c(=O)c2cc(C)ccc21 ZINC000022234751 518894937 /nfs/dbraw/zinc/89/49/37/518894937.db2.gz DWVKROGDPHIMDH-UHFFFAOYSA-N 1 2 357.454 1.782 40 0 FDABLO CC[NH+]1CCN(S(=O)(=O)c2c[nH]cc(Br)c2=S)CC1 ZINC000072210923 522203308 /nfs/dbraw/zinc/20/33/08/522203308.db2.gz GTZODMGLMBXSPU-UHFFFAOYSA-N 1 2 366.306 1.459 40 0 FDABLO COc1ccccc1C[NH2+]C1(Cc2cc(CN3CCOCC3)on2)COC1 ZINC000067898397 523628541 /nfs/dbraw/zinc/62/85/41/523628541.db2.gz OPQHYXQRUNDCQC-UHFFFAOYSA-N 1 2 373.453 1.617 40 0 biogenic,in-vitro FDABLO CNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1C(=O)NCc1cccnc1 ZINC000096112979 525135537 /nfs/dbraw/zinc/13/55/37/525135537.db2.gz ACMXOASDCUUABF-ZWKOTPCHSA-N 1 2 352.438 1.650 40 0 biogenic,in-vitro FDABLO CNC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1C(=O)NCc1cccnc1 ZINC000096112979 525135545 /nfs/dbraw/zinc/13/55/45/525135545.db2.gz ACMXOASDCUUABF-ZWKOTPCHSA-N 1 2 352.438 1.650 40 0 biogenic,in-vitro FDABLO CS(=O)(=O)Nc1ccc(C(=O)NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000020492653 525217026 /nfs/dbraw/zinc/21/70/26/525217026.db2.gz UVNDXMBGFOFXSU-UHFFFAOYSA-N 1 2 356.835 1.728 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(Cc3cccc(Cl)c3)C2)C[N@@H+]1CC1CC1 ZINC000247978441 537160641 /nfs/dbraw/zinc/16/06/41/537160641.db2.gz WQMNRSOLGAEBGQ-QGZVFWFLSA-N 1 2 363.889 1.751 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(Cc3cccc(Cl)c3)C2)C[N@H+]1CC1CC1 ZINC000247978441 537160642 /nfs/dbraw/zinc/16/06/42/537160642.db2.gz WQMNRSOLGAEBGQ-QGZVFWFLSA-N 1 2 363.889 1.751 40 0 FDABLO CN(C)c1cc(N2CC3(C2)OCC[C@H]3COc2ncccc2F)nc[nH+]1 ZINC000248117165 537166646 /nfs/dbraw/zinc/16/66/46/537166646.db2.gz LZJKLZRWOUQQCS-ZDUSSCGKSA-N 1 2 359.405 1.751 40 0 FDABLO CN(C)c1cc(N2CC3(C2)OCC[C@H]3COc2ncccc2F)[nH+]cn1 ZINC000248117165 537166648 /nfs/dbraw/zinc/16/66/48/537166648.db2.gz LZJKLZRWOUQQCS-ZDUSSCGKSA-N 1 2 359.405 1.751 40 0 FDABLO c1cc2n(n1)C[C@H](Oc1ncccn1)C[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000306124479 537599849 /nfs/dbraw/zinc/59/98/49/537599849.db2.gz BQTHIVFGAXJFHW-MRXNPFEDSA-N 1 2 365.393 1.865 40 0 FDABLO c1cc2n(n1)C[C@H](Oc1ncccn1)C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000306124479 537599855 /nfs/dbraw/zinc/59/98/55/537599855.db2.gz BQTHIVFGAXJFHW-MRXNPFEDSA-N 1 2 365.393 1.865 40 0 FDABLO C[NH+]1CCN(C(=O)CSc2n[nH]c(COc3ccccc3F)n2)CC1 ZINC000408559390 537848310 /nfs/dbraw/zinc/84/83/10/537848310.db2.gz ZOOWNTJCIKWVQY-UHFFFAOYSA-N 1 2 365.434 1.389 40 0 FDABLO CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc(-n4cc[nH+]c4)nn3)C[C@H]2C1 ZINC000409431150 537850765 /nfs/dbraw/zinc/85/07/65/537850765.db2.gz YSVXKDUYSNAJTA-KBPBESRZSA-N 1 2 356.430 1.965 40 0 FDABLO O=C(NCCc1cccs1)[C@H]1CN(C(=O)c2cc[nH]n2)Cc2c[nH+]cn21 ZINC000585096010 551568895 /nfs/dbraw/zinc/56/88/95/551568895.db2.gz KDTKXADKSVLKAZ-OAHLLOKOSA-N 1 2 370.438 1.224 40 0 FDABLO O=C(NCCc1cccs1)[C@H]1CN(C(=O)c2ccn[nH]2)Cc2c[nH+]cn21 ZINC000585096010 551568898 /nfs/dbraw/zinc/56/88/98/551568898.db2.gz KDTKXADKSVLKAZ-OAHLLOKOSA-N 1 2 370.438 1.224 40 0 FDABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCNC(=O)C2CC(F)(F)C2)cn1 ZINC000306135473 571039588 /nfs/dbraw/zinc/03/95/88/571039588.db2.gz ORZGMNYDINGWHQ-HNNXBMFYSA-N 1 2 368.428 1.563 40 0 FDABLO Cc1cnc(C(=O)N[C@@H]2CCCC[C@@]23CN(Cc2[nH]cc[nH+]2)CCO3)cn1 ZINC000306141069 571042204 /nfs/dbraw/zinc/04/22/04/571042204.db2.gz VKOMTCTZTJYASA-VQIMIIECSA-N 1 2 370.457 1.452 40 0 FDABLO CCOC[C@H]1CC[N@H+](C)C2(CN(S(=O)(=O)c3c(C)nn(C)c3C)C2)C1 ZINC000253387175 571135482 /nfs/dbraw/zinc/13/54/82/571135482.db2.gz ZMLZSRCDUXQEJJ-HNNXBMFYSA-N 1 2 370.519 1.158 40 0 FDABLO CCOC[C@H]1CC[N@@H+](C)C2(CN(S(=O)(=O)c3c(C)nn(C)c3C)C2)C1 ZINC000253387175 571135484 /nfs/dbraw/zinc/13/54/84/571135484.db2.gz ZMLZSRCDUXQEJJ-HNNXBMFYSA-N 1 2 370.519 1.158 40 0 FDABLO CC(=O)NCc1cnn(-c2ccccc2C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000257234205 571152727 /nfs/dbraw/zinc/15/27/27/571152727.db2.gz GSONFUWJQRDQFP-UHFFFAOYSA-N 1 2 352.398 1.172 40 0 FDABLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@]12CCCO2 ZINC000257306341 571160240 /nfs/dbraw/zinc/16/02/40/571160240.db2.gz STWYPJNWQHWYFY-IEBWSBKVSA-N 1 2 362.426 1.666 40 0 FDABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@]12CCCO2 ZINC000257306341 571160243 /nfs/dbraw/zinc/16/02/43/571160243.db2.gz STWYPJNWQHWYFY-IEBWSBKVSA-N 1 2 362.426 1.666 40 0 FDABLO C[N@H+](CC(=O)N1CCOC[C@@H](Cc2ccncn2)C1)Cc1cccnc1 ZINC000257295488 529829067 /nfs/dbraw/zinc/82/90/67/529829067.db2.gz QYMPYVOUHQUJSM-KRWDZBQOSA-N 1 2 355.442 1.021 40 0 FDABLO C[N@@H+](CC(=O)N1CCOC[C@@H](Cc2ccncn2)C1)Cc1cccnc1 ZINC000257295488 529829068 /nfs/dbraw/zinc/82/90/68/529829068.db2.gz QYMPYVOUHQUJSM-KRWDZBQOSA-N 1 2 355.442 1.021 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)c2[nH]c3c(cccc3OC)c2C)CC[N@@H+]1C(C)C ZINC000257244757 529927885 /nfs/dbraw/zinc/92/78/85/529927885.db2.gz IMQFRAJRHFYDQF-OAHLLOKOSA-N 1 2 372.469 1.766 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)c2[nH]c3c(cccc3OC)c2C)CC[N@H+]1C(C)C ZINC000257244757 529927887 /nfs/dbraw/zinc/92/78/87/529927887.db2.gz IMQFRAJRHFYDQF-OAHLLOKOSA-N 1 2 372.469 1.766 40 0 FDABLO Cn1cc(C[N@H+]2Cc3ccnn3C[C@H](CNC(=O)c3ccsc3)C2)cn1 ZINC000306129887 210051726 /nfs/dbraw/zinc/05/17/26/210051726.db2.gz IPRFQDIBMQIBEH-CQSZACIVSA-N 1 2 370.482 1.740 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3ccnn3C[C@H](CNC(=O)c3ccsc3)C2)cn1 ZINC000306129887 210051731 /nfs/dbraw/zinc/05/17/31/210051731.db2.gz IPRFQDIBMQIBEH-CQSZACIVSA-N 1 2 370.482 1.740 40 0 FDABLO Cn1ccnc1C(=O)NCC[C@H]1CCOC12C[NH+](Cc1cccs1)C2 ZINC000248095860 222960921 /nfs/dbraw/zinc/96/09/21/222960921.db2.gz CXVPQOQQBDIBHC-AWEZNQCLSA-N 1 2 360.483 1.893 40 0 FDABLO O[C@H]1[C@H](Oc2cccc(F)c2)C[C@@H](Nc2ncccn2)[C@@H]1[NH+]1CCOCC1 ZINC000257203492 223017504 /nfs/dbraw/zinc/01/75/04/223017504.db2.gz AQIDZQOBGULNDW-BDXSIMOUSA-N 1 2 374.416 1.309 40 0 FDABLO O=C(C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(OC(F)F)cc1 ZINC000257291564 223052857 /nfs/dbraw/zinc/05/28/57/223052857.db2.gz QHODEHRAPRBORL-YOEHRIQHSA-N 1 2 356.369 1.842 40 0 FDABLO O=C(C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(OC(F)F)cc1 ZINC000257291564 223052860 /nfs/dbraw/zinc/05/28/60/223052860.db2.gz QHODEHRAPRBORL-YOEHRIQHSA-N 1 2 356.369 1.842 40 0 FDABLO CCn1cc(C[NH+]2CC3(C2)OCC[C@H]3CCNC(=O)c2nccn2C)cn1 ZINC000306137447 223111954 /nfs/dbraw/zinc/11/19/54/223111954.db2.gz QWJPQARXCGSOPF-MRXNPFEDSA-N 1 2 372.473 1.048 40 0 FDABLO C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000041334566 211773782 /nfs/dbraw/zinc/77/37/82/211773782.db2.gz XDUDXDREMTWLNM-OAHLLOKOSA-N 1 2 365.499 1.495 40 0 FDABLO COc1ccc(CCC(=O)N2CCC[C@H](c3nnc4n3CC[NH2+]C4)C2)cc1 ZINC000019711027 211247675 /nfs/dbraw/zinc/24/76/75/211247675.db2.gz RHQIHEIWYRNEGS-INIZCTEOSA-N 1 2 369.469 1.729 40 0 FDABLO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000019496216 211223513 /nfs/dbraw/zinc/22/35/13/211223513.db2.gz RTVJRJLMDQXMFP-GOEBONIOSA-N 1 2 373.501 1.423 40 0 FDABLO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000019496216 211223508 /nfs/dbraw/zinc/22/35/08/211223508.db2.gz RTVJRJLMDQXMFP-GOEBONIOSA-N 1 2 373.501 1.423 40 0 FDABLO CC[C@H](c1nnnn1CCOC)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000019500641 220263959 /nfs/dbraw/zinc/26/39/59/220263959.db2.gz GFWZJSORRYRAHN-QGZVFWFLSA-N 1 2 374.489 1.597 40 0 FDABLO CNc1cc([C@@H]2CCCN(C(=O)CCCN3C(=O)CNC3=O)C2)cc[nH+]1 ZINC000257276543 533052361 /nfs/dbraw/zinc/05/23/61/533052361.db2.gz NUFOFNBYWDKGCK-CQSZACIVSA-N 1 2 359.430 1.161 40 0 FDABLO CNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000019822710 220300741 /nfs/dbraw/zinc/30/07/41/220300741.db2.gz MSCHLLKBQZQLTC-UHFFFAOYSA-N 1 2 374.510 1.475 40 0 FDABLO O=C1CO[C@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096051312 132217841 /nfs/dbraw/zinc/21/78/41/132217841.db2.gz DSSSNIXWWWNSIC-HXUWFJFHSA-N 1 2 371.412 1.855 40 0 FDABLO O=C1CO[C@]2(CN1c1ccc(F)cc1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096051312 132217842 /nfs/dbraw/zinc/21/78/42/132217842.db2.gz DSSSNIXWWWNSIC-HXUWFJFHSA-N 1 2 371.412 1.855 40 0 FDABLO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)Cc3cccnc3)C2)nc[nH+]1 ZINC000257301749 132296712 /nfs/dbraw/zinc/29/67/12/132296712.db2.gz RZURIFMATQPFIS-LJQANCHMSA-N 1 2 355.442 1.212 40 0 FDABLO Cn1cc(C[NH+]2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)cn1 ZINC000306138483 132301968 /nfs/dbraw/zinc/30/19/68/132301968.db2.gz RYSKHXLVUXTLST-UHFFFAOYSA-N 1 2 374.452 1.847 40 0 FDABLO Cc1cccc(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)n1 ZINC000072335465 136144411 /nfs/dbraw/zinc/14/44/11/136144411.db2.gz TYGODDVGZVKNGB-HUUCEWRRSA-N 1 2 369.469 1.645 40 0 FDABLO Cc1cccc(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)n1 ZINC000072335465 136144412 /nfs/dbraw/zinc/14/44/12/136144412.db2.gz TYGODDVGZVKNGB-HUUCEWRRSA-N 1 2 369.469 1.645 40 0 FDABLO C[N@H+](Cc1cn2c(n1)CN(C(=O)c1ccncc1)CC2)Cc1cccnc1 ZINC000096059553 222007218 /nfs/dbraw/zinc/00/72/18/222007218.db2.gz IMNQEZIEPGEKRT-UHFFFAOYSA-N 1 2 362.437 1.961 40 0 FDABLO C[N@@H+](Cc1cn2c(n1)CN(C(=O)c1ccncc1)CC2)Cc1cccnc1 ZINC000096059553 222007220 /nfs/dbraw/zinc/00/72/20/222007220.db2.gz IMNQEZIEPGEKRT-UHFFFAOYSA-N 1 2 362.437 1.961 40 0 FDABLO CCc1cnc(N2CCc3cc(C(=O)NC)c(N(C)C)[nH+]c3CC2)nc1 ZINC000096260314 222102725 /nfs/dbraw/zinc/10/27/25/222102725.db2.gz IFSLYVRWECAIDT-UHFFFAOYSA-N 1 2 354.458 1.465 40 0 FDABLO Cc1ccnc(OC[C@@H]2Cn3c[nH+]cc3CN(C(=O)C3CC=CC3)C2)n1 ZINC000096217457 222081774 /nfs/dbraw/zinc/08/17/74/222081774.db2.gz OKMVQGDJDJCCKH-HNNXBMFYSA-N 1 2 353.426 1.985 40 0 FDABLO CCS(=O)(=O)N1CCC[C@@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096229333 222090662 /nfs/dbraw/zinc/09/06/62/222090662.db2.gz MPVLIZARASRZFZ-QGZVFWFLSA-N 1 2 353.488 1.346 40 0 FDABLO CCS(=O)(=O)N1CCC[C@@]2(C1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096229333 222090666 /nfs/dbraw/zinc/09/06/66/222090666.db2.gz MPVLIZARASRZFZ-QGZVFWFLSA-N 1 2 353.488 1.346 40 0 FDABLO CCOC(=O)[C@]1(CC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000100420633 222242589 /nfs/dbraw/zinc/24/25/89/222242589.db2.gz OWDXQNUTULMXQF-QCUYGVNKSA-N 1 2 360.410 1.370 40 0 FDABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C(C)=O)cc3)C2=O)C1 ZINC000017076214 263372214 /nfs/dbraw/zinc/37/22/14/263372214.db2.gz QEMDEGFSODTGJP-NVXWUHKLSA-N 1 2 372.421 1.796 40 0 FDABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(C(C)=O)cc3)C2=O)C1 ZINC000017076214 263372215 /nfs/dbraw/zinc/37/22/15/263372215.db2.gz QEMDEGFSODTGJP-NVXWUHKLSA-N 1 2 372.421 1.796 40 0 FDABLO CC(C)n1c2ccc(S(=O)(=O)NCc3[nH+]ccn3C)cc2oc1=O ZINC000012117043 518588310 /nfs/dbraw/zinc/58/83/10/518588310.db2.gz OKUQLEVZDRRKDZ-UHFFFAOYSA-N 1 2 350.400 1.387 40 0 FDABLO O=C(CCc1nc(-c2ccccc2Cl)no1)NCC[NH+]1CCOCC1 ZINC000041184666 519648084 /nfs/dbraw/zinc/64/80/84/519648084.db2.gz XONYEHDXMSDOJW-UHFFFAOYSA-N 1 2 364.833 1.771 40 0 FDABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000245230752 521306417 /nfs/dbraw/zinc/30/64/17/521306417.db2.gz YEZNKYFKDZHBMC-GJRWTSMGSA-N 1 2 360.410 1.370 40 0 FDABLO Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3cccc(-n4cc[nH+]c4)n3)C2)c1 ZINC000072378816 522228733 /nfs/dbraw/zinc/22/87/33/522228733.db2.gz MRLRFYLVCRMVMJ-CQSZACIVSA-N 1 2 372.454 1.569 40 0 FDABLO COc1ccccc1CCNC(=O)[C@H]1C[N@H+](Cc2cnn(C)c2C)CCO1 ZINC000072392067 522232431 /nfs/dbraw/zinc/23/24/31/522232431.db2.gz VTWBZFDMRSHATP-LJQANCHMSA-N 1 2 372.469 1.297 40 0 FDABLO COc1ccccc1CCNC(=O)[C@H]1C[N@@H+](Cc2cnn(C)c2C)CCO1 ZINC000072392067 522232435 /nfs/dbraw/zinc/23/24/35/522232435.db2.gz VTWBZFDMRSHATP-LJQANCHMSA-N 1 2 372.469 1.297 40 0 FDABLO COCCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@H+](C)C1 ZINC000020464388 522959038 /nfs/dbraw/zinc/95/90/38/522959038.db2.gz XSXLXWUFWZHYED-STQMWFEESA-N 1 2 374.397 1.363 40 0 biogenic,in-vitro FDABLO COCCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@@H+](C)C1 ZINC000020464388 522959043 /nfs/dbraw/zinc/95/90/43/522959043.db2.gz XSXLXWUFWZHYED-STQMWFEESA-N 1 2 374.397 1.363 40 0 biogenic,in-vitro FDABLO CCN1C[C@]2(CC1=O)CN(C(=O)N(C)C)CC[N@H+](Cc1nccs1)C2 ZINC000096036212 525122091 /nfs/dbraw/zinc/12/20/91/525122091.db2.gz KROOGUQYXPZLOF-QGZVFWFLSA-N 1 2 365.503 1.181 40 0 FDABLO CCN1C[C@]2(CC1=O)CN(C(=O)N(C)C)CC[N@@H+](Cc1nccs1)C2 ZINC000096036212 525122101 /nfs/dbraw/zinc/12/21/01/525122101.db2.gz KROOGUQYXPZLOF-QGZVFWFLSA-N 1 2 365.503 1.181 40 0 FDABLO CC(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000257296526 526816237 /nfs/dbraw/zinc/81/62/37/526816237.db2.gz RDEYRCDESZXJEP-KRWDZBQOSA-N 1 2 359.474 1.571 40 0 FDABLO CC(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC1 ZINC000257296526 526816242 /nfs/dbraw/zinc/81/62/42/526816242.db2.gz RDEYRCDESZXJEP-KRWDZBQOSA-N 1 2 359.474 1.571 40 0 FDABLO CC[N@H+](Cc1ccc(C(=O)[O-])cc1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257276311 528777588 /nfs/dbraw/zinc/77/75/88/528777588.db2.gz NTDUQWOWEDUOHQ-SFHVURJKSA-N 1 2 357.414 1.555 40 0 FDABLO CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257276311 528777594 /nfs/dbraw/zinc/77/75/94/528777594.db2.gz NTDUQWOWEDUOHQ-SFHVURJKSA-N 1 2 357.414 1.555 40 0 FDABLO CS(=O)(=O)NC[C@H]1CN(C(=O)c2cc3ccccc3o2)Cc2c[nH+]cn21 ZINC000247534779 537130152 /nfs/dbraw/zinc/13/01/52/537130152.db2.gz QBWYQHZGCRFJBR-AWEZNQCLSA-N 1 2 374.422 1.376 40 0 FDABLO COCC(=O)NC[C@@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2c[nH+]cn21 ZINC000247862048 537153644 /nfs/dbraw/zinc/15/36/44/537153644.db2.gz WIASIFQIDBYPSC-CQSZACIVSA-N 1 2 366.824 1.995 40 0 FDABLO Cn1cnc2c1[C@H](C(=O)NC1CC1)C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000248010439 537162635 /nfs/dbraw/zinc/16/26/35/537162635.db2.gz DQIUJVJBXBSORA-CQSZACIVSA-N 1 2 354.410 1.527 40 0 FDABLO Cn1cnc2c1[C@H](C(=O)NC1CC1)C[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000248010439 537162637 /nfs/dbraw/zinc/16/26/37/537162637.db2.gz DQIUJVJBXBSORA-CQSZACIVSA-N 1 2 354.410 1.527 40 0 FDABLO Cc1ccsc1C[N@@H+]1Cc2ncn(C)c2[C@@H](C(=O)N2CCOCC2)C1 ZINC000248036741 537163963 /nfs/dbraw/zinc/16/39/63/537163963.db2.gz MYKGCCBUGMWRDZ-AWEZNQCLSA-N 1 2 360.483 1.748 40 0 FDABLO Cc1ccsc1C[N@H+]1Cc2ncn(C)c2[C@@H](C(=O)N2CCOCC2)C1 ZINC000248036741 537163965 /nfs/dbraw/zinc/16/39/65/537163965.db2.gz MYKGCCBUGMWRDZ-AWEZNQCLSA-N 1 2 360.483 1.748 40 0 FDABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCNC(=O)c2cccn2C)cn1 ZINC000248166191 537169558 /nfs/dbraw/zinc/16/95/58/537169558.db2.gz ZWMWTHQAHDWCJD-INIZCTEOSA-N 1 2 357.458 1.170 40 0 FDABLO Cn1ccnc1C(=O)NCC[C@@H]1CCOC12C[NH+](Cc1ccsc1)C2 ZINC000248166280 537169680 /nfs/dbraw/zinc/16/96/80/537169680.db2.gz ZZFAINILPMXYCX-OAHLLOKOSA-N 1 2 360.483 1.893 40 0 FDABLO Cc1nc([C@H]2CN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CCO2)no1 ZINC000332894765 537303167 /nfs/dbraw/zinc/30/31/67/537303167.db2.gz TZXPDNXZKLJMES-UONOGXRCSA-N 1 2 358.402 1.135 40 0 FDABLO Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223162562 537519625 /nfs/dbraw/zinc/51/96/25/537519625.db2.gz CYZGOOIVXCNJCU-ROUUACIJSA-N 1 2 371.510 1.725 40 0 FDABLO CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000223377525 537524952 /nfs/dbraw/zinc/52/49/52/537524952.db2.gz JBIUXZAJSRFXOP-INIZCTEOSA-N 1 2 369.487 1.014 40 0 FDABLO CN(c1cccc(NC(=S)NCCCn2cc[nH+]c2)c1)S(C)(=O)=O ZINC000225520936 537551325 /nfs/dbraw/zinc/55/13/25/537551325.db2.gz RMKTYUSFAPMINU-UHFFFAOYSA-N 1 2 367.500 1.656 40 0 FDABLO O=C(NCC(F)(F)F)C1=NO[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000585101173 551571038 /nfs/dbraw/zinc/57/10/38/551571038.db2.gz KYTFEVSXHOLKRW-HNNXBMFYSA-N 1 2 356.348 1.871 40 0 FDABLO O=C(NCC(F)(F)F)C1=NO[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000585101173 551571041 /nfs/dbraw/zinc/57/10/41/551571041.db2.gz KYTFEVSXHOLKRW-HNNXBMFYSA-N 1 2 356.348 1.871 40 0 FDABLO O=S(=O)(NCC[C@@H]1CCOC12C[NH+](Cc1ccccc1F)C2)C1CC1 ZINC000585102800 551571146 /nfs/dbraw/zinc/57/11/46/551571146.db2.gz IEFIVFNRBLSVOH-OAHLLOKOSA-N 1 2 368.474 1.889 40 0 FDABLO CS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3cccc(Cl)c3)C2)OC1 ZINC000585104449 551571976 /nfs/dbraw/zinc/57/19/76/551571976.db2.gz IQIOGDJUTYOAQI-CQSZACIVSA-N 1 2 358.891 1.870 40 0 FDABLO Cc1ccc(C)c(C[N@H+]2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)c1 ZINC000585112650 551574542 /nfs/dbraw/zinc/57/45/42/551574542.db2.gz USAFMPPVDVVPLV-GOSISDBHSA-N 1 2 362.499 1.996 40 0 FDABLO Cc1ccc(C)c(C[N@@H+]2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)c1 ZINC000585112650 551574545 /nfs/dbraw/zinc/57/45/45/551574545.db2.gz USAFMPPVDVVPLV-GOSISDBHSA-N 1 2 362.499 1.996 40 0 FDABLO COC[C@@]1(CC(=O)N(C)C)C[N@H+](Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000585276798 551577441 /nfs/dbraw/zinc/57/74/41/551577441.db2.gz JGCWLUDZNPQMBC-GOSISDBHSA-N 1 2 352.479 1.403 40 0 FDABLO COC[C@@]1(CC(=O)N(C)C)C[N@@H+](Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000585276798 551577442 /nfs/dbraw/zinc/57/74/42/551577442.db2.gz JGCWLUDZNPQMBC-GOSISDBHSA-N 1 2 352.479 1.403 40 0 FDABLO CN1C(=O)c2cccnc2O[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000514290378 560029184 /nfs/dbraw/zinc/02/91/84/560029184.db2.gz ZLQPEIYCXGSPAM-PBHICJAKSA-N 1 2 353.378 1.528 40 0 biogenic,in-vitro FDABLO CN1C(=O)c2cccnc2O[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000514290378 560029185 /nfs/dbraw/zinc/02/91/85/560029185.db2.gz ZLQPEIYCXGSPAM-PBHICJAKSA-N 1 2 353.378 1.528 40 0 biogenic,in-vitro FDABLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000245569365 178367610 /nfs/dbraw/zinc/36/76/10/178367610.db2.gz YNANVDWYWGSXDD-CVEARBPZSA-N 1 2 355.446 1.374 40 0 FDABLO CS(=O)(=O)NCC[C@H]1CN(C(=O)Cc2cccs2)Cc2c[nH+]cn21 ZINC000247551691 222949069 /nfs/dbraw/zinc/94/90/69/222949069.db2.gz WBFRPTVNWRKMPI-LBPRGKRZSA-N 1 2 368.484 1.010 40 0 FDABLO Cc1cc(N2CCC[C@H]2c2ccnc3c(C(=O)N(C)C)cnn32)nc[nH+]1 ZINC000257264992 223042944 /nfs/dbraw/zinc/04/29/44/223042944.db2.gz LWVYJCQQULHZGC-AWEZNQCLSA-N 1 2 351.414 1.871 40 0 FDABLO Cc1[nH+]cc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)n1C ZINC000257281995 223049418 /nfs/dbraw/zinc/04/94/18/223049418.db2.gz ORVKEEOSHFCPGL-CQSZACIVSA-N 1 2 365.441 1.939 40 0 FDABLO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCCC[N@@H+]1Cc1cnccn1 ZINC000257297248 223054729 /nfs/dbraw/zinc/05/47/29/223054729.db2.gz RGMXBUYHIUXFDN-MRXNPFEDSA-N 1 2 365.441 1.948 40 0 FDABLO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCCC[N@H+]1Cc1cnccn1 ZINC000257297248 223054733 /nfs/dbraw/zinc/05/47/33/223054733.db2.gz RGMXBUYHIUXFDN-MRXNPFEDSA-N 1 2 365.441 1.948 40 0 FDABLO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCC[N@H+]2CC(=O)N(C)C)n1 ZINC000257301094 223057478 /nfs/dbraw/zinc/05/74/78/223057478.db2.gz RWZBTVXNGTUIQN-CQSZACIVSA-N 1 2 355.446 1.852 40 0 FDABLO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000257301094 223057481 /nfs/dbraw/zinc/05/74/81/223057481.db2.gz RWZBTVXNGTUIQN-CQSZACIVSA-N 1 2 355.446 1.852 40 0 FDABLO O=C(C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)N1CCCCCC1 ZINC000019014936 211200226 /nfs/dbraw/zinc/20/02/26/211200226.db2.gz VTPJIYWMUQDRHK-UHFFFAOYSA-N 1 2 359.474 1.131 40 0 FDABLO O=C(C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)N1CCCCCC1 ZINC000019014936 211200230 /nfs/dbraw/zinc/20/02/30/211200230.db2.gz VTPJIYWMUQDRHK-UHFFFAOYSA-N 1 2 359.474 1.131 40 0 FDABLO Cc1[nH]c2ccc(NC(=O)CC3CCN(S(C)(=O)=O)CC3)cc2[nH+]1 ZINC000019748635 220293093 /nfs/dbraw/zinc/29/30/93/220293093.db2.gz RMFUIWCRFALXNS-UHFFFAOYSA-N 1 2 350.444 1.872 40 0 FDABLO COC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@H]1c1ccccc1C ZINC000022587447 220391848 /nfs/dbraw/zinc/39/18/48/220391848.db2.gz UCCMSBARLBMIQU-KRWDZBQOSA-N 1 2 358.442 1.023 40 0 FDABLO Cn1cnc(S(=O)(=O)N2CC[C@]3(C2)CCCN(c2cccc[nH+]2)C3)c1 ZINC000096216728 132222637 /nfs/dbraw/zinc/22/26/37/132222637.db2.gz DRYHPDXLDCTWLE-QGZVFWFLSA-N 1 2 361.471 1.496 40 0 FDABLO COc1ccccc1NC(=S)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000044241713 136121616 /nfs/dbraw/zinc/12/16/16/136121616.db2.gz SHOJDVCXRBZFIN-UHFFFAOYSA-N 1 2 372.498 1.594 40 0 FDABLO Cc1ccccc1NC(=S)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000044241741 136121620 /nfs/dbraw/zinc/12/16/20/136121620.db2.gz SGVWTAPIJVCZPY-UHFFFAOYSA-N 1 2 356.499 1.894 40 0 FDABLO Cn1cc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c(C(C)(C)C)n1 ZINC000092243160 172294464 /nfs/dbraw/zinc/29/44/64/172294464.db2.gz IPPSTJQDPBUZGO-UHFFFAOYSA-N 1 2 360.462 1.499 40 0 FDABLO Cc1occc1C(=O)N1CCOC[C@]2(CC[N@@H+](Cc3nccn3C)C2)C1 ZINC000096062364 222008327 /nfs/dbraw/zinc/00/83/27/222008327.db2.gz VUJPRWHGYSKTJG-IBGZPJMESA-N 1 2 358.442 1.686 40 0 FDABLO Cc1occc1C(=O)N1CCOC[C@]2(CC[N@H+](Cc3nccn3C)C2)C1 ZINC000096062364 222008329 /nfs/dbraw/zinc/00/83/29/222008329.db2.gz VUJPRWHGYSKTJG-IBGZPJMESA-N 1 2 358.442 1.686 40 0 FDABLO CC(C)Nc1[nH+]c2c(cc1C(=O)N(C)C)CCN(c1ncccn1)CC2 ZINC000096260436 222103915 /nfs/dbraw/zinc/10/39/15/222103915.db2.gz VHTFPHMOMVFQNJ-UHFFFAOYSA-N 1 2 354.458 1.999 40 0 FDABLO Cn1c[nH+]c2c1[C@@H](C(=O)NCc1cccnc1)N(Cc1cccnc1)CC2 ZINC000096264948 222106157 /nfs/dbraw/zinc/10/61/57/222106157.db2.gz XOMBMOLHDRTEON-IBGZPJMESA-N 1 2 362.437 1.626 40 0 FDABLO Cc1nc(CN2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)cs1 ZINC000096197576 222074011 /nfs/dbraw/zinc/07/40/11/222074011.db2.gz RJWRIAWXXBRKGL-UHFFFAOYSA-N 1 2 356.455 1.659 40 0 FDABLO Cc1cc(C(=O)N2Cc3c[nH+]cn3C[C@H](COc3ccccn3)C2)on1 ZINC000096208934 222078683 /nfs/dbraw/zinc/07/86/83/222078683.db2.gz YDDNQRLBGGMITN-CQSZACIVSA-N 1 2 353.382 1.926 40 0 FDABLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H](CC(=O)NCc4ccccn4)O[C@@H]3C2)no1 ZINC000096219928 222084246 /nfs/dbraw/zinc/08/42/46/222084246.db2.gz XZIAMHBBXXFTGU-BMGDILEWSA-N 1 2 356.426 1.674 40 0 FDABLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H](CC(=O)NCc4ccccn4)O[C@@H]3C2)no1 ZINC000096219928 222084256 /nfs/dbraw/zinc/08/42/56/222084256.db2.gz XZIAMHBBXXFTGU-BMGDILEWSA-N 1 2 356.426 1.674 40 0 FDABLO COC(=O)[C@@]1(C(C)C)[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000100420386 222243275 /nfs/dbraw/zinc/24/32/75/222243275.db2.gz LPXSMCWEPXOGPJ-AHXJXLJNSA-N 1 2 364.829 1.783 40 0 FDABLO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(OC)cc1)[NH2+][C@@]2(CC)C(=O)OC ZINC000004884839 518317402 /nfs/dbraw/zinc/31/74/02/518317402.db2.gz VYHKUBZGMLCDIP-XMDUPGNXSA-N 1 2 360.410 1.282 40 0 FDABLO CCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2ccc(F)cc2)n(C)c1=O ZINC000010329012 518534344 /nfs/dbraw/zinc/53/43/44/518534344.db2.gz JYXBKXPQWLYEIQ-UHFFFAOYSA-N 1 2 370.388 1.452 40 0 FDABLO CN1CC[C@@]2(C[C@H](NC(=O)Cn3cc[nH+]c3)c3ccccc3O2)CCC1=O ZINC000012221362 518597023 /nfs/dbraw/zinc/59/70/23/518597023.db2.gz NWZASRJGPCGMRN-OXJNMPFZSA-N 1 2 368.437 1.904 40 0 FDABLO COc1cccc(C[NH+]2CCN(c3ncc4c(n3)CCOC4)CC2)c1OC ZINC000019567992 518819522 /nfs/dbraw/zinc/81/95/22/518819522.db2.gz HMQZYPQISXRCDV-UHFFFAOYSA-N 1 2 370.453 1.889 40 0 FDABLO C[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000024243210 518983671 /nfs/dbraw/zinc/98/36/71/518983671.db2.gz RPOJWUZLQLMWQJ-LUKYLMHMSA-N 1 2 364.534 1.164 40 0 FDABLO C[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000024243210 518983680 /nfs/dbraw/zinc/98/36/80/518983680.db2.gz RPOJWUZLQLMWQJ-LUKYLMHMSA-N 1 2 364.534 1.164 40 0 FDABLO O=C(NCCn1cc[nH+]c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000043310802 521850750 /nfs/dbraw/zinc/85/07/50/521850750.db2.gz ICLGFHINJFMROY-UHFFFAOYSA-N 1 2 354.414 1.573 40 0 FDABLO Cc1nc(=O)c2ccccc2n1C1=CC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000072348242 522223398 /nfs/dbraw/zinc/22/33/98/522223398.db2.gz FWWYVHPBHDUKGT-UHFFFAOYSA-N 1 2 352.438 1.874 40 0 FDABLO Cc1nc(=O)c2ccccc2n1C1=CC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000072348242 522223409 /nfs/dbraw/zinc/22/34/09/522223409.db2.gz FWWYVHPBHDUKGT-UHFFFAOYSA-N 1 2 352.438 1.874 40 0 FDABLO Cn1ccnc1CN1C(=O)CO[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]21 ZINC000067897325 523627678 /nfs/dbraw/zinc/62/76/78/523627678.db2.gz PKAIAROQVYOLSJ-CVEARBPZSA-N 1 2 360.845 1.685 40 0 biogenic,in-vitro FDABLO Cn1ccnc1CN1C(=O)CO[C@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]21 ZINC000067897325 523627691 /nfs/dbraw/zinc/62/76/91/523627691.db2.gz PKAIAROQVYOLSJ-CVEARBPZSA-N 1 2 360.845 1.685 40 0 biogenic,in-vitro FDABLO CCN1C(=O)N(CC(C)C)C[C@@]12C[N@H+](Cc1cscn1)CC[C@@H]2O ZINC000257232036 528952390 /nfs/dbraw/zinc/95/23/90/528952390.db2.gz GJDUFOXPMHXZDI-DOTOQJQBSA-N 1 2 352.504 1.862 40 0 FDABLO CCN1C(=O)N(CC(C)C)C[C@@]12C[N@@H+](Cc1cscn1)CC[C@@H]2O ZINC000257232036 528952395 /nfs/dbraw/zinc/95/23/95/528952395.db2.gz GJDUFOXPMHXZDI-DOTOQJQBSA-N 1 2 352.504 1.862 40 0 FDABLO CCCCn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c(C)n1 ZINC000257314835 529080594 /nfs/dbraw/zinc/08/05/94/529080594.db2.gz UYRADGSTPDCKTQ-QZTJIDSGSA-N 1 2 357.458 1.362 40 0 FDABLO CCCCn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c(C)n1 ZINC000257314835 529080597 /nfs/dbraw/zinc/08/05/97/529080597.db2.gz UYRADGSTPDCKTQ-QZTJIDSGSA-N 1 2 357.458 1.362 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(Cc3ccccc3Cl)C2)C[N@@H+]1CC1CC1 ZINC000247951839 537158855 /nfs/dbraw/zinc/15/88/55/537158855.db2.gz MFCUSEAMCVUSNV-KRWDZBQOSA-N 1 2 363.889 1.751 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(Cc3ccccc3Cl)C2)C[N@H+]1CC1CC1 ZINC000247951839 537158856 /nfs/dbraw/zinc/15/88/56/537158856.db2.gz MFCUSEAMCVUSNV-KRWDZBQOSA-N 1 2 363.889 1.751 40 0 FDABLO CN(C)C(=O)CO[C@@H]1Cn2nccc2C[N@H+](CCOCc2ccccc2)C1 ZINC000247967438 537160190 /nfs/dbraw/zinc/16/01/90/537160190.db2.gz GVHRJBXJHCACLY-IBGZPJMESA-N 1 2 372.469 1.389 40 0 FDABLO CN(C)C(=O)CO[C@@H]1Cn2nccc2C[N@@H+](CCOCc2ccccc2)C1 ZINC000247967438 537160191 /nfs/dbraw/zinc/16/01/91/537160191.db2.gz GVHRJBXJHCACLY-IBGZPJMESA-N 1 2 372.469 1.389 40 0 FDABLO Cn1nccc1C(=O)NCC[C@H]1CCOC12C[NH+](Cc1cccs1)C2 ZINC000248007289 537162913 /nfs/dbraw/zinc/16/29/13/537162913.db2.gz CORIBVOSPFKQNG-AWEZNQCLSA-N 1 2 360.483 1.893 40 0 FDABLO CN(C)C(=O)CO[C@H]1CCOC2(C[NH+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000248051684 537164341 /nfs/dbraw/zinc/16/43/41/537164341.db2.gz XPHBOXLEDQHGRG-HNNXBMFYSA-N 1 2 362.426 1.254 40 0 FDABLO Cn1ccnc1C(=O)NCC[C@H]1CCOC12C[NH+](Cc1ccsc1)C2 ZINC000248166278 537169890 /nfs/dbraw/zinc/16/98/90/537169890.db2.gz ZZFAINILPMXYCX-HNNXBMFYSA-N 1 2 360.483 1.893 40 0 FDABLO Cc1cc(C)nc(Nc2ccccc2C(=O)NCC[NH+]2CCOCC2)n1 ZINC000225918723 537563344 /nfs/dbraw/zinc/56/33/44/537563344.db2.gz MBFHITBALFHTCN-UHFFFAOYSA-N 1 2 355.442 1.899 40 0 FDABLO CCOCC(=O)N1CCc2[nH+]cc(-c3ccc(NC(C)=O)cc3)n2CC1 ZINC000585111652 551574143 /nfs/dbraw/zinc/57/41/43/551574143.db2.gz ZISMSLQXAOPBLI-UHFFFAOYSA-N 1 2 356.426 1.930 40 0 FDABLO Cc1ccc(N([C@@H](C)C(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)cc1 ZINC000408630206 570595958 /nfs/dbraw/zinc/59/59/58/570595958.db2.gz PJUCLBNKQCKWID-HNNXBMFYSA-N 1 2 364.471 1.553 40 0 FDABLO C[C@H](O)c1onc(-c2cccs2)c1C(=O)NCC[NH+]1CCOCC1 ZINC000253406671 210214771 /nfs/dbraw/zinc/21/47/71/210214771.db2.gz UVIHVKLAQHRNAQ-NSHDSACASA-N 1 2 351.428 1.518 40 0 biogenic,in-vitro FDABLO CNC(=O)[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2C)CC[N@@H+]1C(C)C ZINC000257325455 529909448 /nfs/dbraw/zinc/90/94/48/529909448.db2.gz WSZOEMKROJEAMO-ZDUSSCGKSA-N 1 2 372.391 1.690 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2C)CC[N@H+]1C(C)C ZINC000257325455 529909450 /nfs/dbraw/zinc/90/94/50/529909450.db2.gz WSZOEMKROJEAMO-ZDUSSCGKSA-N 1 2 372.391 1.690 40 0 FDABLO CCn1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccnn2C)cn1 ZINC000306139335 210056199 /nfs/dbraw/zinc/05/61/99/210056199.db2.gz SUUGOZQEQNUOCW-INIZCTEOSA-N 1 2 372.473 1.048 40 0 FDABLO CC(C)n1cc(C[N@H+]2Cc3ccnn3C[C@H](CN3CCCC3=O)C2)cn1 ZINC000306128683 210051959 /nfs/dbraw/zinc/05/19/59/210051959.db2.gz HIEFGPGQTZEPOR-KRWDZBQOSA-N 1 2 356.474 1.915 40 0 FDABLO CC(C)n1cc(C[N@@H+]2Cc3ccnn3C[C@H](CN3CCCC3=O)C2)cn1 ZINC000306128683 210051962 /nfs/dbraw/zinc/05/19/62/210051962.db2.gz HIEFGPGQTZEPOR-KRWDZBQOSA-N 1 2 356.474 1.915 40 0 FDABLO Cn1ccc(C(=O)N2CCC[C@H]2c2ccc(C[NH+]3CCOCC3)cn2)n1 ZINC000257272228 223046232 /nfs/dbraw/zinc/04/62/32/223046232.db2.gz NBNJJNSQDWVQMO-SFHVURJKSA-N 1 2 355.442 1.625 40 0 FDABLO NC(=O)C[C@@]1(COc2cccc(Cl)c2)CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000257308092 223061076 /nfs/dbraw/zinc/06/10/76/223061076.db2.gz TVJALTGTVZHSQJ-KRWDZBQOSA-N 1 2 364.833 1.589 40 0 FDABLO NC(=O)C[C@@]1(COc2cccc(Cl)c2)CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000257308092 223061079 /nfs/dbraw/zinc/06/10/79/223061079.db2.gz TVJALTGTVZHSQJ-KRWDZBQOSA-N 1 2 364.833 1.589 40 0 FDABLO COCCN1C[NH+]=C2N[C@H](c3cccnc3)n3c4ccccc4nc3N2C1 ZINC000020638636 211291797 /nfs/dbraw/zinc/29/17/97/211291797.db2.gz WSPUVOICDXGJEM-KRWDZBQOSA-N 1 2 363.425 1.621 40 0 FDABLO Cc1cnc(C(=O)N[C@H]2CCC[N@H+](CC(=O)Nc3nccs3)CC2)cn1 ZINC000019749191 211253144 /nfs/dbraw/zinc/25/31/44/211253144.db2.gz TYUNVVWOXJWVRA-ZDUSSCGKSA-N 1 2 374.470 1.465 40 0 FDABLO Cc1cnc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)Nc3nccs3)CC2)cn1 ZINC000019749191 211253147 /nfs/dbraw/zinc/25/31/47/211253147.db2.gz TYUNVVWOXJWVRA-ZDUSSCGKSA-N 1 2 374.470 1.465 40 0 FDABLO CCOc1cccc2sc(NC(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)nc21 ZINC000019716574 211248629 /nfs/dbraw/zinc/24/86/29/211248629.db2.gz GAEVOLIUMSMAFV-NSHDSACASA-N 1 2 362.455 1.831 40 0 FDABLO CCOc1cccc2sc(NC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)nc21 ZINC000019716574 211248634 /nfs/dbraw/zinc/24/86/34/211248634.db2.gz GAEVOLIUMSMAFV-NSHDSACASA-N 1 2 362.455 1.831 40 0 FDABLO COc1ccc(Cc2nnc(NC(=O)Cn3cc[nH+]c3)s2)cc1OC ZINC000019561290 211234021 /nfs/dbraw/zinc/23/40/21/211234021.db2.gz UVUKGDXMKGYZOA-UHFFFAOYSA-N 1 2 359.411 1.981 40 0 FDABLO O=C(Cn1cc[nH+]c1)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000019345461 211216438 /nfs/dbraw/zinc/21/64/38/211216438.db2.gz PARBMROMOKDLAN-UHFFFAOYSA-N 1 2 368.393 1.336 40 0 FDABLO COC(=O)[C@]1(C(C)C)[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000019446089 220257239 /nfs/dbraw/zinc/25/72/39/220257239.db2.gz LPXSMCWEPXOGPJ-HNSFDTNUSA-N 1 2 364.829 1.783 40 0 FDABLO O=C1C[C@@H]([NH+]2CCC3(CC2)OCCO3)C(=O)N1c1ccccc1Cl ZINC000013636677 211044153 /nfs/dbraw/zinc/04/41/53/211044153.db2.gz OSUSFIZPHWRPIE-CQSZACIVSA-N 1 2 350.802 1.811 40 0 FDABLO O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2[nH]cc[nH+]2)cc1)C1CC1 ZINC000067896835 210820277 /nfs/dbraw/zinc/82/02/77/210820277.db2.gz UFUHQOATEMJQHO-CRAIPNDOSA-N 1 2 370.409 1.219 40 0 biogenic,in-vitro FDABLO Cc1noc(C)c1C(=O)N(C)C[C@]1(O)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257289737 132296328 /nfs/dbraw/zinc/29/63/28/132296328.db2.gz PZZHPHJRLKGRPE-GOSISDBHSA-N 1 2 359.430 1.493 40 0 FDABLO CCc1noc(C)c1C(=O)NC[C@]1(O)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257301934 132296684 /nfs/dbraw/zinc/29/66/84/132296684.db2.gz SAQNSDYDNDDTCH-GOSISDBHSA-N 1 2 359.430 1.405 40 0 FDABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccn2)C3)C[C@H](C)O1 ZINC000072335489 136144426 /nfs/dbraw/zinc/14/44/26/136144426.db2.gz OTUHZFMKSHJMSQ-OKILXGFUSA-N 1 2 355.442 1.749 40 0 FDABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccn2)C3)C[C@H](C)O1 ZINC000072335489 136144427 /nfs/dbraw/zinc/14/44/27/136144427.db2.gz OTUHZFMKSHJMSQ-OKILXGFUSA-N 1 2 355.442 1.749 40 0 FDABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2C2COC2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111854 222029371 /nfs/dbraw/zinc/02/93/71/222029371.db2.gz SVFMVBMWRMJDBW-WMZOPIPTSA-N 1 2 351.406 1.849 40 0 biogenic,in-vitro FDABLO O=C1[C@@H]2C[C@@H](C[N@H+]2C2COC2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111854 222029372 /nfs/dbraw/zinc/02/93/72/222029372.db2.gz SVFMVBMWRMJDBW-WMZOPIPTSA-N 1 2 351.406 1.849 40 0 biogenic,in-vitro FDABLO COc1ccc(C[N@@H+]2CCCn3c(=O)cc(Cn4cncn4)nc3C2)cc1 ZINC000096059620 222007106 /nfs/dbraw/zinc/00/71/06/222007106.db2.gz FDAYAQSPALEMHX-UHFFFAOYSA-N 1 2 366.425 1.298 40 0 FDABLO COc1ccc(C[N@H+]2CCCn3c(=O)cc(Cn4cncn4)nc3C2)cc1 ZINC000096059620 222007108 /nfs/dbraw/zinc/00/71/08/222007108.db2.gz FDAYAQSPALEMHX-UHFFFAOYSA-N 1 2 366.425 1.298 40 0 FDABLO CN(Cc1cn2c(n1)C[N@@H+](Cc1cnn(C)c1)CC2)Cc1cccnc1 ZINC000096059543 222007192 /nfs/dbraw/zinc/00/71/92/222007192.db2.gz NNTVWQLHDIOCKL-UHFFFAOYSA-N 1 2 351.458 1.659 40 0 FDABLO CN(Cc1cn2c(n1)C[N@H+](Cc1cnn(C)c1)CC2)Cc1cccnc1 ZINC000096059543 222007195 /nfs/dbraw/zinc/00/71/95/222007195.db2.gz NNTVWQLHDIOCKL-UHFFFAOYSA-N 1 2 351.458 1.659 40 0 FDABLO Cc1ccc(C[N@@H+]2C[C@@H]3c4nc(N(C)C)ncc4CS(=O)(=O)[C@@H]3C2)cc1 ZINC000096083413 222016446 /nfs/dbraw/zinc/01/64/46/222016446.db2.gz DKVJGWYUJPTTNW-DLBZAZTESA-N 1 2 372.494 1.747 40 0 FDABLO Cc1ccc(C[N@H+]2C[C@@H]3c4nc(N(C)C)ncc4CS(=O)(=O)[C@@H]3C2)cc1 ZINC000096083413 222016447 /nfs/dbraw/zinc/01/64/47/222016447.db2.gz DKVJGWYUJPTTNW-DLBZAZTESA-N 1 2 372.494 1.747 40 0 FDABLO O=C(c1cccs1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC000096197585 222073413 /nfs/dbraw/zinc/07/34/13/222073413.db2.gz VDHJCFRLJUXREP-UHFFFAOYSA-N 1 2 355.423 1.596 40 0 FDABLO CC(=O)N1CC2(CC[NH+](Cc3nccs3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000097952877 222217636 /nfs/dbraw/zinc/21/76/36/222217636.db2.gz IGCYSJJZIAILFQ-GOSISDBHSA-N 1 2 362.499 1.436 40 0 FDABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cccc(OC)c3)C2=O)CC1 ZINC000104278539 222353559 /nfs/dbraw/zinc/35/35/59/222353559.db2.gz NYQFVQZRQVTMRL-INIZCTEOSA-N 1 2 360.410 1.602 40 0 FDABLO CN1CC[C@]2(C[C@@H](NC(=O)Cn3cc[nH+]c3)c3ccccc3O2)CCC1=O ZINC000012221359 518596578 /nfs/dbraw/zinc/59/65/78/518596578.db2.gz NWZASRJGPCGMRN-UZLBHIALSA-N 1 2 368.437 1.904 40 0 FDABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2=O)C1 ZINC000014607420 518695376 /nfs/dbraw/zinc/69/53/76/518695376.db2.gz DGGODKVUHYOOCK-GDBMZVCRSA-N 1 2 374.437 1.911 40 0 FDABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2=O)C1 ZINC000014607420 518695382 /nfs/dbraw/zinc/69/53/82/518695382.db2.gz DGGODKVUHYOOCK-GDBMZVCRSA-N 1 2 374.437 1.911 40 0 FDABLO Cc1nc(N2CCC(C)CC2)ncc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000019714732 518829730 /nfs/dbraw/zinc/82/97/30/518829730.db2.gz FOKVFTQKHMUKLY-OAHLLOKOSA-N 1 2 361.490 1.472 40 0 FDABLO O=C(NCC[NH+]1CCOCC1)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 ZINC000026440116 519121363 /nfs/dbraw/zinc/12/13/63/519121363.db2.gz ACGCIBCQIUQNJI-SDXDJHTJSA-N 1 2 368.437 1.234 40 0 FDABLO COCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2OC)Cc2ncn(C)c21 ZINC000248022646 537163227 /nfs/dbraw/zinc/16/32/27/537163227.db2.gz IPUCFFUWNOSXJM-OAHLLOKOSA-N 1 2 358.442 1.291 40 0 FDABLO COCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2OC)Cc2ncn(C)c21 ZINC000248022646 537163228 /nfs/dbraw/zinc/16/32/28/537163228.db2.gz IPUCFFUWNOSXJM-OAHLLOKOSA-N 1 2 358.442 1.291 40 0 FDABLO COc1ncccc1C[N@H+]1Cc2cccn2[C@@H](COCC(=O)N(C)C)C1 ZINC000248046230 537164428 /nfs/dbraw/zinc/16/44/28/537164428.db2.gz WNXUUQJSOUMERX-QGZVFWFLSA-N 1 2 358.442 1.553 40 0 FDABLO COc1ncccc1C[N@@H+]1Cc2cccn2[C@@H](COCC(=O)N(C)C)C1 ZINC000248046230 537164430 /nfs/dbraw/zinc/16/44/30/537164430.db2.gz WNXUUQJSOUMERX-QGZVFWFLSA-N 1 2 358.442 1.553 40 0 FDABLO Cn1cc(C[NH+]2CC3(C2)CC[C@@H](CNC(=O)c2cccn2C)CO3)cn1 ZINC000248152274 537169069 /nfs/dbraw/zinc/16/90/69/537169069.db2.gz ULVRDAXFQAJPOO-HNNXBMFYSA-N 1 2 357.458 1.170 40 0 FDABLO CCn1c2ccc(S(=O)(=O)N3CC[NH+](CC)CC3)cc2sc1=O ZINC000225691100 537557346 /nfs/dbraw/zinc/55/73/46/537557346.db2.gz JYZSYLSYWIAVDL-UHFFFAOYSA-N 1 2 355.485 1.409 40 0 FDABLO CS(=O)(=O)CC[C@H]([NH3+])c1nc([C@@H](c2ccccc2)n2cccc2)no1 ZINC000409438476 537849940 /nfs/dbraw/zinc/84/99/40/537849940.db2.gz CTYKYZROERTKJY-LSDHHAIUSA-N 1 2 360.439 1.943 40 0 FDABLO O=C(NCCc1cccs1)[C@@H]1CN(C(=O)c2cc[nH]n2)Cc2c[nH+]cn21 ZINC000585096007 551568923 /nfs/dbraw/zinc/56/89/23/551568923.db2.gz KDTKXADKSVLKAZ-HNNXBMFYSA-N 1 2 370.438 1.224 40 0 FDABLO O=C(NCCc1cccs1)[C@@H]1CN(C(=O)c2ccn[nH]2)Cc2c[nH+]cn21 ZINC000585096007 551568925 /nfs/dbraw/zinc/56/89/25/551568925.db2.gz KDTKXADKSVLKAZ-HNNXBMFYSA-N 1 2 370.438 1.224 40 0 FDABLO CC(C)CCC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCC2CCOCC2)C1 ZINC000585096131 551569000 /nfs/dbraw/zinc/56/90/00/551569000.db2.gz SUTSRAOULMFIIV-QGZVFWFLSA-N 1 2 362.474 1.745 40 0 FDABLO CS(=O)(=O)CCN1C(=O)CC[C@]12CCC[N@H+](Cc1nccs1)CC2 ZINC000585100510 551570706 /nfs/dbraw/zinc/57/07/06/551570706.db2.gz LVNRRXJVUOTPBY-INIZCTEOSA-N 1 2 371.528 1.535 40 0 FDABLO CS(=O)(=O)CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1nccs1)CC2 ZINC000585100510 551570709 /nfs/dbraw/zinc/57/07/09/551570709.db2.gz LVNRRXJVUOTPBY-INIZCTEOSA-N 1 2 371.528 1.535 40 0 FDABLO CCc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)cc1 ZINC000585112146 551574024 /nfs/dbraw/zinc/57/40/24/551574024.db2.gz JBGQYWCQUBGXKD-GOSISDBHSA-N 1 2 362.499 1.942 40 0 FDABLO CCc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)cc1 ZINC000585112146 551574025 /nfs/dbraw/zinc/57/40/25/551574025.db2.gz JBGQYWCQUBGXKD-GOSISDBHSA-N 1 2 362.499 1.942 40 0 FDABLO COc1ccc(C[N@@H+]2C[C@H]3NS(=O)(=O)c4cccnc4O[C@H]3C2)cc1 ZINC000514289162 560033271 /nfs/dbraw/zinc/03/32/71/560033271.db2.gz FPMHRRFSGYKNIU-CABCVRRESA-N 1 2 361.423 1.014 40 0 biogenic,in-vitro FDABLO COc1ccc(C[N@H+]2C[C@H]3NS(=O)(=O)c4cccnc4O[C@H]3C2)cc1 ZINC000514289162 560033272 /nfs/dbraw/zinc/03/32/72/560033272.db2.gz FPMHRRFSGYKNIU-CABCVRRESA-N 1 2 361.423 1.014 40 0 biogenic,in-vitro FDABLO CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2C[N@H+](C3COC3)C[C@H]21 ZINC000514288845 560033776 /nfs/dbraw/zinc/03/37/76/560033776.db2.gz CHXFQOJWZXINCT-MJGOQNOKSA-N 1 2 351.406 1.665 40 0 biogenic,in-vitro FDABLO CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2C[N@@H+](C3COC3)C[C@H]21 ZINC000514288845 560033777 /nfs/dbraw/zinc/03/37/77/560033777.db2.gz CHXFQOJWZXINCT-MJGOQNOKSA-N 1 2 351.406 1.665 40 0 biogenic,in-vitro FDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3sccc3C)C2)C[N@@H+]1CC1CC1 ZINC000253598320 571138902 /nfs/dbraw/zinc/13/89/02/571138902.db2.gz IAUNCTGDGQUFCT-AWEZNQCLSA-N 1 2 363.483 1.108 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3sccc3C)C2)C[N@H+]1CC1CC1 ZINC000253598320 571138904 /nfs/dbraw/zinc/13/89/04/571138904.db2.gz IAUNCTGDGQUFCT-AWEZNQCLSA-N 1 2 363.483 1.108 40 0 FDABLO CCCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000231642492 210179295 /nfs/dbraw/zinc/17/92/95/210179295.db2.gz KNQLHHBPRIXNKV-NLDJYOPPSA-N 1 2 374.437 1.760 40 0 FDABLO Cn1cc(C(=O)N2Cc3c[nH+]cn3[C@@H](COCc3ccncc3)C2)cn1 ZINC000306133551 210053201 /nfs/dbraw/zinc/05/32/01/210053201.db2.gz MPHFAOGDVGPTTM-QGZVFWFLSA-N 1 2 352.398 1.426 40 0 FDABLO Cc1cc(C[N@@H+]2Cc3ncn(C)c3[C@H](C(=O)NC3CCCC3)C2)n(C)n1 ZINC000306125207 210050000 /nfs/dbraw/zinc/05/00/00/210050000.db2.gz CJHHDPCXNCWHFG-MRXNPFEDSA-N 1 2 356.474 1.620 40 0 FDABLO Cc1cc(C[N@H+]2Cc3ncn(C)c3[C@H](C(=O)NC3CCCC3)C2)n(C)n1 ZINC000306125207 210050004 /nfs/dbraw/zinc/05/00/04/210050004.db2.gz CJHHDPCXNCWHFG-MRXNPFEDSA-N 1 2 356.474 1.620 40 0 FDABLO COCCN(CCOC)C(=O)c1nc([C@H]2CCC[N@@H+]2C)n2ccccc12 ZINC000306137640 210055335 /nfs/dbraw/zinc/05/53/35/210055335.db2.gz RCARBWNMWVEWGN-MRXNPFEDSA-N 1 2 360.458 1.836 40 0 FDABLO COCCN(CCOC)C(=O)c1nc([C@H]2CCC[N@H+]2C)n2ccccc12 ZINC000306137640 210055340 /nfs/dbraw/zinc/05/53/40/210055340.db2.gz RCARBWNMWVEWGN-MRXNPFEDSA-N 1 2 360.458 1.836 40 0 FDABLO O=C(NCC[NH+]1CCOCC1)[C@H]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000306124903 210048719 /nfs/dbraw/zinc/04/87/19/210048719.db2.gz CBYATTMXQLCAEO-INIZCTEOSA-N 1 2 354.454 1.630 40 0 FDABLO COC(=O)[C@@H]1Cc2[nH+]cn(C)c2CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000015676544 220160712 /nfs/dbraw/zinc/16/07/12/220160712.db2.gz XHJPCCHANUOQOM-ZDUSSCGKSA-N 1 2 369.830 1.362 40 0 biogenic,in-vitro FDABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019502008 211226635 /nfs/dbraw/zinc/22/66/35/211226635.db2.gz YEZNKYFKDZHBMC-XMDUPGNXSA-N 1 2 360.410 1.370 40 0 FDABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000019501987 220264046 /nfs/dbraw/zinc/26/40/46/220264046.db2.gz ZHTHIOFSQYRLSB-LWGWVAHUSA-N 1 2 364.829 1.927 40 0 FDABLO CCn1cc(S(=O)(=O)NCC2([NH+]3CCOCC3)CCCCC2)cn1 ZINC000019525105 220265889 /nfs/dbraw/zinc/26/58/89/220265889.db2.gz YURMFVSQWNDNEJ-UHFFFAOYSA-N 1 2 356.492 1.216 40 0 FDABLO C[C@@]1(NC(=O)CC2CC[NH+](Cc3ccccn3)CC2)CCS(=O)(=O)C1 ZINC000019748225 220293257 /nfs/dbraw/zinc/29/32/57/220293257.db2.gz HVVOFUFJCSPZNQ-GOSISDBHSA-N 1 2 365.499 1.377 40 0 FDABLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c(OC)c1 ZINC000257206485 533571466 /nfs/dbraw/zinc/57/14/66/533571466.db2.gz BDROKNULMGXPBV-IAGOWNOFSA-N 1 2 357.410 1.074 40 0 FDABLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c(OC)c1 ZINC000257206485 533571471 /nfs/dbraw/zinc/57/14/71/533571471.db2.gz BDROKNULMGXPBV-IAGOWNOFSA-N 1 2 357.410 1.074 40 0 FDABLO Cn1cc(C[N@H+]2Cc3nnn(C)c3[C@@H](COCc3cccnc3)C2)cn1 ZINC000096060731 222007768 /nfs/dbraw/zinc/00/77/68/222007768.db2.gz NPNXEXAARCMSFX-MRXNPFEDSA-N 1 2 353.430 1.260 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3nnn(C)c3[C@@H](COCc3cccnc3)C2)cn1 ZINC000096060731 222007772 /nfs/dbraw/zinc/00/77/72/222007772.db2.gz NPNXEXAARCMSFX-MRXNPFEDSA-N 1 2 353.430 1.260 40 0 FDABLO Cc1occc1C(=O)N1CCOC[C@@]2(CC[N@@H+](Cc3nccn3C)C2)C1 ZINC000096062365 222008725 /nfs/dbraw/zinc/00/87/25/222008725.db2.gz VUJPRWHGYSKTJG-LJQANCHMSA-N 1 2 358.442 1.686 40 0 FDABLO Cc1occc1C(=O)N1CCOC[C@@]2(CC[N@H+](Cc3nccn3C)C2)C1 ZINC000096062365 222008729 /nfs/dbraw/zinc/00/87/29/222008729.db2.gz VUJPRWHGYSKTJG-LJQANCHMSA-N 1 2 358.442 1.686 40 0 FDABLO Cn1cccc1C(=O)NCc1cnc2n1CC[N@@H+](Cc1cccnc1)C2 ZINC000096061951 222009772 /nfs/dbraw/zinc/00/97/72/222009772.db2.gz MXPMPTQGWAWPAQ-UHFFFAOYSA-N 1 2 350.426 1.562 40 0 FDABLO Cn1cccc1C(=O)NCc1cnc2n1CC[N@H+](Cc1cccnc1)C2 ZINC000096061951 222009776 /nfs/dbraw/zinc/00/97/76/222009776.db2.gz MXPMPTQGWAWPAQ-UHFFFAOYSA-N 1 2 350.426 1.562 40 0 FDABLO Cn1cc[nH+]c1CN1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC000096240197 222095343 /nfs/dbraw/zinc/09/53/43/222095343.db2.gz KRIJQGHRMJBRNN-QGZVFWFLSA-N 1 2 362.455 1.116 40 0 FDABLO Cn1ccnc1C[N@@H+]1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC000096240197 222095345 /nfs/dbraw/zinc/09/53/45/222095345.db2.gz KRIJQGHRMJBRNN-QGZVFWFLSA-N 1 2 362.455 1.116 40 0 FDABLO Cn1ccnc1C[N@H+]1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC000096240197 222095349 /nfs/dbraw/zinc/09/53/49/222095349.db2.gz KRIJQGHRMJBRNN-QGZVFWFLSA-N 1 2 362.455 1.116 40 0 FDABLO Cn1ccc(C(=O)N2Cc3c[nH+]cn3C[C@@H](COc3ccccn3)C2)n1 ZINC000096209404 222079775 /nfs/dbraw/zinc/07/97/75/222079775.db2.gz UAGIAVMZONAORI-AWEZNQCLSA-N 1 2 352.398 1.363 40 0 FDABLO O=C(NCc1cccnc1)C1=NO[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096225796 222086888 /nfs/dbraw/zinc/08/68/88/222086888.db2.gz UWUNQACJMFGJNC-IBGZPJMESA-N 1 2 351.410 1.514 40 0 FDABLO O=C(NCc1cccnc1)C1=NO[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096225796 222086893 /nfs/dbraw/zinc/08/68/93/222086893.db2.gz UWUNQACJMFGJNC-IBGZPJMESA-N 1 2 351.410 1.514 40 0 FDABLO OC[C@@H]1O[C@@H](n2ccc3c2nc[nH+]c3SCc2ccccc2)[C@H](O)[C@@H]1O ZINC000004775767 518312700 /nfs/dbraw/zinc/31/27/00/518312700.db2.gz XAYGKALBZYZZRV-LUXYFRNMSA-N 1 2 373.434 1.335 40 0 FDABLO OC[C@@H]1O[C@H](n2ccc3c2nc[nH+]c3SCc2ccccc2)[C@H](O)[C@@H]1O ZINC000004775766 518313539 /nfs/dbraw/zinc/31/35/39/518313539.db2.gz XAYGKALBZYZZRV-BORJPKMPSA-N 1 2 373.434 1.335 40 0 FDABLO CC[N@@H+]1CCO[C@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 ZINC000019694937 518825109 /nfs/dbraw/zinc/82/51/09/518825109.db2.gz KCCZFCNEZHAINZ-INIZCTEOSA-N 1 2 355.442 1.702 40 0 FDABLO CC[N@H+]1CCO[C@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 ZINC000019694937 518825117 /nfs/dbraw/zinc/82/51/17/518825117.db2.gz KCCZFCNEZHAINZ-INIZCTEOSA-N 1 2 355.442 1.702 40 0 FDABLO O=C(c1cnc2sccn2c1=O)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000028233083 519227739 /nfs/dbraw/zinc/22/77/39/519227739.db2.gz JWZDZCHQIGPZPL-UHFFFAOYSA-N 1 2 372.425 1.853 40 0 FDABLO O=C(C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)NC[C@@H]1COCCO1 ZINC000035315662 519603082 /nfs/dbraw/zinc/60/30/82/519603082.db2.gz KGYVQLFDOZBNEC-QGZVFWFLSA-N 1 2 364.417 1.252 40 0 FDABLO CC1(C)CC(=O)c2cnc3nc(NCC[NH+]4CCOCC4)[nH]c(=O)c3c2C1 ZINC000038829490 519636156 /nfs/dbraw/zinc/63/61/56/519636156.db2.gz ZJIYLGMVZODRCU-UHFFFAOYSA-N 1 2 371.441 1.217 40 0 FDABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccccc3OC)C2=O)CC1 ZINC000020634579 520583408 /nfs/dbraw/zinc/58/34/08/520583408.db2.gz WGBUMFUMMISSLS-HNNXBMFYSA-N 1 2 360.410 1.602 40 0 FDABLO Cc1ccc2oc(C(=O)N(C)[C@@H]3CC[C@@H]([N@@H+]4CCNC(=O)C4)[C@@H]3O)cc2c1 ZINC000257204600 534528797 /nfs/dbraw/zinc/52/87/97/534528797.db2.gz AVKPDCOJLCAGDG-SPYBWZPUSA-N 1 2 371.437 1.137 40 0 FDABLO Cc1ccc2oc(C(=O)N(C)[C@@H]3CC[C@@H]([N@H+]4CCNC(=O)C4)[C@@H]3O)cc2c1 ZINC000257204600 534528803 /nfs/dbraw/zinc/52/88/03/534528803.db2.gz AVKPDCOJLCAGDG-SPYBWZPUSA-N 1 2 371.437 1.137 40 0 FDABLO COc1ccccc1CCNC(=O)[C@@H]1C[N@H+](Cc2cnn(C)c2C)CCO1 ZINC000072392066 522231956 /nfs/dbraw/zinc/23/19/56/522231956.db2.gz VTWBZFDMRSHATP-IBGZPJMESA-N 1 2 372.469 1.297 40 0 FDABLO COc1ccccc1CCNC(=O)[C@@H]1C[N@@H+](Cc2cnn(C)c2C)CCO1 ZINC000072392066 522231968 /nfs/dbraw/zinc/23/19/68/522231968.db2.gz VTWBZFDMRSHATP-IBGZPJMESA-N 1 2 372.469 1.297 40 0 FDABLO Cn1c(=O)c2ccc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)nc2n(C)c1=O ZINC000257218003 534669948 /nfs/dbraw/zinc/66/99/48/534669948.db2.gz DBMIZBAZEWTZPH-KRWDZBQOSA-N 1 2 366.421 1.206 40 0 FDABLO Cn1c(=O)c2ccc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)nc2n(C)c1=O ZINC000257218003 534669950 /nfs/dbraw/zinc/66/99/50/534669950.db2.gz DBMIZBAZEWTZPH-KRWDZBQOSA-N 1 2 366.421 1.206 40 0 FDABLO Cc1ncc(CNC(=O)c2ccc3[nH]nnc3c2)c([C@H]2CCC[N@H+]2C)n1 ZINC000257206615 534739569 /nfs/dbraw/zinc/73/95/69/534739569.db2.gz BEEQYRVVRIHOTG-MRXNPFEDSA-N 1 2 351.414 1.753 40 0 FDABLO Cc1ncc(CNC(=O)c2ccc3[nH]nnc3c2)c([C@H]2CCC[N@@H+]2C)n1 ZINC000257206615 534739572 /nfs/dbraw/zinc/73/95/72/534739572.db2.gz BEEQYRVVRIHOTG-MRXNPFEDSA-N 1 2 351.414 1.753 40 0 FDABLO C[N@@H+]1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000020464016 524010802 /nfs/dbraw/zinc/01/08/02/524010802.db2.gz KQJNQRBVUHFBNC-ZFWWWQNUSA-N 1 2 371.445 1.904 40 0 biogenic,in-vitro FDABLO C[N@H+]1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000020464016 524010805 /nfs/dbraw/zinc/01/08/05/524010805.db2.gz KQJNQRBVUHFBNC-ZFWWWQNUSA-N 1 2 371.445 1.904 40 0 biogenic,in-vitro FDABLO O=C(N[C@@H]1C[N@@H+](CC2=Cc3ccccc3OC2)C[C@H]1O)c1cscn1 ZINC000257332156 534779205 /nfs/dbraw/zinc/77/92/05/534779205.db2.gz XVYUVNTYVRIJJW-GDBMZVCRSA-N 1 2 357.435 1.394 40 0 FDABLO O=C(N[C@@H]1C[N@H+](CC2=Cc3ccccc3OC2)C[C@H]1O)c1cscn1 ZINC000257332156 534779210 /nfs/dbraw/zinc/77/92/10/534779210.db2.gz XVYUVNTYVRIJJW-GDBMZVCRSA-N 1 2 357.435 1.394 40 0 FDABLO CC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000001475568 534870835 /nfs/dbraw/zinc/87/08/35/534870835.db2.gz VTMCIHMBWRZKOY-GOSISDBHSA-N 1 2 355.438 1.846 40 0 FDABLO COC[C@H]1CN(S(C)(=O)=O)CC12CC[NH+](Cc1nccs1)CC2 ZINC000247833674 537153443 /nfs/dbraw/zinc/15/34/43/537153443.db2.gz IHZLZYPUSXGUPV-CYBMUJFWSA-N 1 2 359.517 1.263 40 0 FDABLO CC(C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222760153 537511828 /nfs/dbraw/zinc/51/18/28/537511828.db2.gz QQQYPRZCJQQTPD-QGZVFWFLSA-N 1 2 361.486 1.508 40 0 FDABLO CC(C)n1c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2sc1=O ZINC000225708540 537556421 /nfs/dbraw/zinc/55/64/21/537556421.db2.gz YBCFGJDVSRBPEO-UHFFFAOYSA-N 1 2 355.485 1.580 40 0 FDABLO CS(=O)(=O)CC[C@H]([NH3+])c1nc([C@@H](c2ccco2)n2cccc2)no1 ZINC000409442580 537850949 /nfs/dbraw/zinc/85/09/49/537850949.db2.gz XNBMDVYREYVGCN-WCQYABFASA-N 1 2 350.400 1.536 40 0 FDABLO CCCNC(=O)c1cc(S(=O)(=O)NCCCn2cc[nH+]c2)ccc1C ZINC000408619665 570591064 /nfs/dbraw/zinc/59/10/64/570591064.db2.gz IHDRQZJPJJBKOJ-UHFFFAOYSA-N 1 2 364.471 1.700 40 0 FDABLO COC(=O)c1ccc(OC)c(Nc2cc(C3CC3)[nH+]c(NCCO)n2)c1 ZINC000329057787 210133274 /nfs/dbraw/zinc/13/32/74/210133274.db2.gz VZBQIPPMEKWYRT-UHFFFAOYSA-N 1 2 358.398 1.141 40 0 FDABLO C[C@@H](CO)Nc1nc(NCc2ccccc2F)cc(-c2cccnc2)[nH+]1 ZINC000329049062 210132520 /nfs/dbraw/zinc/13/25/20/210132520.db2.gz UNJKUXZQBUCOER-ZDUSSCGKSA-N 1 2 353.401 1.926 40 0 FDABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@H](CNC(=O)c4csc(C)n4)[C@H]3C2)no1 ZINC000306131612 210053800 /nfs/dbraw/zinc/05/38/00/210053800.db2.gz KJYXRTPLQVOCMH-JGGQBBKZSA-N 1 2 362.455 1.625 40 0 FDABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@H](CNC(=O)c4csc(C)n4)[C@H]3C2)no1 ZINC000306131612 210053806 /nfs/dbraw/zinc/05/38/06/210053806.db2.gz KJYXRTPLQVOCMH-JGGQBBKZSA-N 1 2 362.455 1.625 40 0 FDABLO CCn1cc(C[N@@H+]2CCn3cc(CC(=O)N4CCOCC4)nc3[C@@H]2C)cn1 ZINC000306128839 210052431 /nfs/dbraw/zinc/05/24/31/210052431.db2.gz HMICDCLYQITFQJ-HNNXBMFYSA-N 1 2 372.473 1.078 40 0 FDABLO CCn1cc(C[N@H+]2CCn3cc(CC(=O)N4CCOCC4)nc3[C@@H]2C)cn1 ZINC000306128839 210052436 /nfs/dbraw/zinc/05/24/36/210052436.db2.gz HMICDCLYQITFQJ-HNNXBMFYSA-N 1 2 372.473 1.078 40 0 FDABLO Cc1[nH+]cc(-c2cccc(C3CCN(S(=O)(=O)N(C)C)CC3)n2)n1C ZINC000257333707 223069682 /nfs/dbraw/zinc/06/96/82/223069682.db2.gz YCRONUXOJHKDAT-UHFFFAOYSA-N 1 2 363.487 1.776 40 0 FDABLO Cc1cc(OCC(=O)N(C)[C@@H]2CCC[C@@H](O)[C@@H]2O)c2cccc(C)c2[nH+]1 ZINC000257337646 223070839 /nfs/dbraw/zinc/07/08/39/223070839.db2.gz YTSOISBRJVDSKI-JXXFODFXSA-N 1 2 358.438 1.963 40 0 FDABLO C[N@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)COc1ccccc1F)CC2 ZINC000019706333 211246233 /nfs/dbraw/zinc/24/62/33/211246233.db2.gz OSFILXQVNNRZPS-HNNXBMFYSA-N 1 2 373.432 1.648 40 0 FDABLO C[N@@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)COc1ccccc1F)CC2 ZINC000019706333 211246230 /nfs/dbraw/zinc/24/62/30/211246230.db2.gz OSFILXQVNNRZPS-HNNXBMFYSA-N 1 2 373.432 1.648 40 0 FDABLO C[C@H](C(=O)NCCn1ncc(-c2ccncc2)c1C1CC1)[NH+]1CCOCC1 ZINC000019080234 211201693 /nfs/dbraw/zinc/20/16/93/211201693.db2.gz MIDDQQWVXPCHCY-OAHLLOKOSA-N 1 2 369.469 1.659 40 0 FDABLO CNc1cccc([C@H]2CN(C(=O)C[N@H+](C)Cc3cccnc3)CCO2)n1 ZINC000257295900 533065089 /nfs/dbraw/zinc/06/50/89/533065089.db2.gz RAIOBXPJDHQVRX-QGZVFWFLSA-N 1 2 355.442 1.550 40 0 FDABLO CNc1cccc([C@H]2CN(C(=O)C[N@@H+](C)Cc3cccnc3)CCO2)n1 ZINC000257295900 533065091 /nfs/dbraw/zinc/06/50/91/533065091.db2.gz RAIOBXPJDHQVRX-QGZVFWFLSA-N 1 2 355.442 1.550 40 0 FDABLO Cn1cc[nH+]c1CN1CCOC[C@]2(CN(c3cccc(F)c3)C(=O)CO2)C1 ZINC000096240117 132223752 /nfs/dbraw/zinc/22/37/52/132223752.db2.gz JZNWDPQNSFTQCZ-LJQANCHMSA-N 1 2 374.416 1.194 40 0 FDABLO Cn1ccnc1C[N@@H+]1CCOC[C@]2(CN(c3cccc(F)c3)C(=O)CO2)C1 ZINC000096240117 132223753 /nfs/dbraw/zinc/22/37/53/132223753.db2.gz JZNWDPQNSFTQCZ-LJQANCHMSA-N 1 2 374.416 1.194 40 0 FDABLO Cn1ccnc1C[N@H+]1CCOC[C@]2(CN(c3cccc(F)c3)C(=O)CO2)C1 ZINC000096240117 132223754 /nfs/dbraw/zinc/22/37/54/132223754.db2.gz JZNWDPQNSFTQCZ-LJQANCHMSA-N 1 2 374.416 1.194 40 0 FDABLO Cc1csc(NC(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000128668145 173116519 /nfs/dbraw/zinc/11/65/19/173116519.db2.gz AGEAUQYDWHJDBC-ZDUSSCGKSA-N 1 2 351.476 1.612 40 0 FDABLO Cn1nnc2c1[C@H](COCc1ccccn1)C[N@H+](Cc1cccnc1)C2 ZINC000096060779 222006454 /nfs/dbraw/zinc/00/64/54/222006454.db2.gz FVAFCVNZEAZGIW-INIZCTEOSA-N 1 2 350.426 1.921 40 0 FDABLO Cn1nnc2c1[C@H](COCc1ccccn1)C[N@@H+](Cc1cccnc1)C2 ZINC000096060779 222006457 /nfs/dbraw/zinc/00/64/57/222006457.db2.gz FVAFCVNZEAZGIW-INIZCTEOSA-N 1 2 350.426 1.921 40 0 FDABLO Cn1cc(C[N@H+]2Cc3nnn(C)c3[C@@H](COCc3ccncc3)C2)cn1 ZINC000096060747 222006634 /nfs/dbraw/zinc/00/66/34/222006634.db2.gz RVHYYJVLDKJWIA-MRXNPFEDSA-N 1 2 353.430 1.260 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3nnn(C)c3[C@@H](COCc3ccncc3)C2)cn1 ZINC000096060747 222006637 /nfs/dbraw/zinc/00/66/37/222006637.db2.gz RVHYYJVLDKJWIA-MRXNPFEDSA-N 1 2 353.430 1.260 40 0 FDABLO Cc1ccc(C[N@@H+]2CCCn3c(=O)cc(Cn4cncn4)nc3C2)s1 ZINC000096059618 222007250 /nfs/dbraw/zinc/00/72/50/222007250.db2.gz ZIASKMWGCRWSBX-UHFFFAOYSA-N 1 2 356.455 1.659 40 0 FDABLO Cc1ccc(C[N@H+]2CCCn3c(=O)cc(Cn4cncn4)nc3C2)s1 ZINC000096059618 222007253 /nfs/dbraw/zinc/00/72/53/222007253.db2.gz ZIASKMWGCRWSBX-UHFFFAOYSA-N 1 2 356.455 1.659 40 0 FDABLO CC(C)Nc1nc(N2CCCC2)[nH+]c2c1CN(C(=O)[C@H]1CCCO1)CC2 ZINC000096254272 222102418 /nfs/dbraw/zinc/10/24/18/222102418.db2.gz RUHXLKSRUCOMRS-MRXNPFEDSA-N 1 2 359.474 1.961 40 0 FDABLO Cn1ccc(C(=O)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)n1 ZINC000096209286 222078857 /nfs/dbraw/zinc/07/88/57/222078857.db2.gz RAIZLEIVWCRMCJ-CQSZACIVSA-N 1 2 352.398 1.363 40 0 FDABLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@@H](CC(=O)NCc4ccccn4)O[C@@H]3C2)no1 ZINC000096217179 222081621 /nfs/dbraw/zinc/08/16/21/222081621.db2.gz XZIAMHBBXXFTGU-JCGIZDLHSA-N 1 2 356.426 1.674 40 0 FDABLO Cc1cc(C[N@H+]2C[C@@H]3C[C@@H](CC(=O)NCc4ccccn4)O[C@@H]3C2)no1 ZINC000096217179 222081623 /nfs/dbraw/zinc/08/16/23/222081623.db2.gz XZIAMHBBXXFTGU-JCGIZDLHSA-N 1 2 356.426 1.674 40 0 FDABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)CN2CCOCC2)c1 ZINC000257253315 533760685 /nfs/dbraw/zinc/76/06/85/533760685.db2.gz JYKQXUUQSKXHLA-KRWDZBQOSA-N 1 2 356.426 1.307 40 0 FDABLO Cc1cc(C)n2ncc(C[N@@H+]3CCO[C@@H](CCc4ccncn4)C3)c2n1 ZINC000257225328 534128639 /nfs/dbraw/zinc/12/86/39/534128639.db2.gz FFSXNINETBJZKK-SFHVURJKSA-N 1 2 352.442 1.970 40 0 FDABLO Cc1cc(C)n2ncc(C[N@H+]3CCO[C@@H](CCc4ccncn4)C3)c2n1 ZINC000257225328 534128646 /nfs/dbraw/zinc/12/86/46/534128646.db2.gz FFSXNINETBJZKK-SFHVURJKSA-N 1 2 352.442 1.970 40 0 FDABLO CCn1ncc(C[N@@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)c1C ZINC000012276764 518599228 /nfs/dbraw/zinc/59/92/28/518599228.db2.gz IBUDBLLDZGWDSG-UHFFFAOYSA-N 1 2 350.426 1.915 40 0 FDABLO CCn1ncc(C[N@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)c1C ZINC000012276764 518599236 /nfs/dbraw/zinc/59/92/36/518599236.db2.gz IBUDBLLDZGWDSG-UHFFFAOYSA-N 1 2 350.426 1.915 40 0 FDABLO Cc1nn(C)cc1S(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000012239209 518600413 /nfs/dbraw/zinc/60/04/13/518600413.db2.gz YHOSSHUEJNEGOZ-CQSZACIVSA-N 1 2 356.879 1.963 40 0 FDABLO COc1ccc(OC)c(NC(=O)[C@H]2C=C(O)NC(Nc3ccccc3)=[NH+]2)c1 ZINC000014606996 518694419 /nfs/dbraw/zinc/69/44/19/518694419.db2.gz OEANKOZJRBPFLK-OAHLLOKOSA-N 1 2 368.393 1.999 40 0 FDABLO Cc1nn2c(nccc2[C@@H]2CCN(C(=O)C(C)C)C2)c1C[NH+]1CCOCC1 ZINC000019707955 518827153 /nfs/dbraw/zinc/82/71/53/518827153.db2.gz XEMPGSVJTFMEOU-MRXNPFEDSA-N 1 2 371.485 1.842 40 0 FDABLO COC(=O)c1cc(S(=O)(=O)NCCCn2cc[nH+]c2)ccc1Cl ZINC000091212675 521908969 /nfs/dbraw/zinc/90/89/69/521908969.db2.gz YBUZOVVKIACMNG-UHFFFAOYSA-N 1 2 357.819 1.692 40 0 FDABLO CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000044884878 522013403 /nfs/dbraw/zinc/01/34/03/522013403.db2.gz UTIXDUXXMPOFJH-UHFFFAOYSA-N 1 2 356.835 1.728 40 0 FDABLO O=C(C[NH+]1CCC(O)(c2cccnc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000072341621 522220984 /nfs/dbraw/zinc/22/09/84/522220984.db2.gz MGKFFFCKLMIISK-UHFFFAOYSA-N 1 2 355.394 1.732 40 0 FDABLO CCc1nccn1-c1cncc([C@@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)n1 ZINC000072378728 522229276 /nfs/dbraw/zinc/22/92/76/522229276.db2.gz QXIUACGNLYDOHC-INIZCTEOSA-N 1 2 370.457 1.220 40 0 FDABLO CCc1nccn1-c1cncc([C@@H]2CCC[N@H+]2CC(=O)N2CCOCC2)n1 ZINC000072378728 522229284 /nfs/dbraw/zinc/22/92/84/522229284.db2.gz QXIUACGNLYDOHC-INIZCTEOSA-N 1 2 370.457 1.220 40 0 FDABLO CCOC(=O)C1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000073480190 522532354 /nfs/dbraw/zinc/53/23/54/522532354.db2.gz NMRLROHIESADDE-UHFFFAOYSA-N 1 2 360.454 1.934 40 0 FDABLO CS(=O)(=O)NC[C@H]1CN(C(=O)CC2=CCCCC2)Cc2c[nH+]cn21 ZINC000247503959 537126780 /nfs/dbraw/zinc/12/67/80/537126780.db2.gz GKOHQBZVRUNCFJ-HNNXBMFYSA-N 1 2 352.460 1.206 40 0 FDABLO CS(=O)(=O)CC(=O)N1Cc2c[nH+]cn2[C@H](COCC2CCCC2)C1 ZINC000247536399 537131164 /nfs/dbraw/zinc/13/11/64/537131164.db2.gz QSTLMADXDGPLAB-HNNXBMFYSA-N 1 2 355.460 1.018 40 0 FDABLO COCC(=O)NC[C@H]1CN(Cc2ccc3ccccc3n2)Cc2c[nH+]cn21 ZINC000247843330 537153870 /nfs/dbraw/zinc/15/38/70/537153870.db2.gz OUARJRSQPUDRLG-SFHVURJKSA-N 1 2 365.437 1.751 40 0 FDABLO Cc1cccc(C[NH+]2CC3(C2)C[C@@H](OCC(=O)N2CCCC2)CCO3)n1 ZINC000247874847 537155016 /nfs/dbraw/zinc/15/50/16/537155016.db2.gz NFCMJPYNXZGQCF-SFHVURJKSA-N 1 2 359.470 1.762 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(Cc3ccccc3Cl)C2)C[N@@H+]1CC1CC1 ZINC000247951841 537158951 /nfs/dbraw/zinc/15/89/51/537158951.db2.gz MFCUSEAMCVUSNV-QGZVFWFLSA-N 1 2 363.889 1.751 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(Cc3ccccc3Cl)C2)C[N@H+]1CC1CC1 ZINC000247951841 537158954 /nfs/dbraw/zinc/15/89/54/537158954.db2.gz MFCUSEAMCVUSNV-QGZVFWFLSA-N 1 2 363.889 1.751 40 0 FDABLO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](CNS(C)(=O)=O)C2)s1 ZINC000248087891 537166145 /nfs/dbraw/zinc/16/61/45/537166145.db2.gz KRQKZUHVWWRKIO-ZDUSSCGKSA-N 1 2 354.501 1.434 40 0 FDABLO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@@H](CNS(C)(=O)=O)C2)s1 ZINC000248087891 537166148 /nfs/dbraw/zinc/16/61/48/537166148.db2.gz KRQKZUHVWWRKIO-ZDUSSCGKSA-N 1 2 354.501 1.434 40 0 FDABLO CCn1cc(C[N@H+]2Cc3cccn3C[C@H](OCC(=O)N3CCCC3)C2)cn1 ZINC000249694012 537240646 /nfs/dbraw/zinc/24/06/46/537240646.db2.gz OQPJQKGTSVIMRE-LJQANCHMSA-N 1 2 371.485 1.728 40 0 FDABLO CCn1cc(C[N@@H+]2Cc3cccn3C[C@H](OCC(=O)N3CCCC3)C2)cn1 ZINC000249694012 537240648 /nfs/dbraw/zinc/24/06/48/537240648.db2.gz OQPJQKGTSVIMRE-LJQANCHMSA-N 1 2 371.485 1.728 40 0 FDABLO CCn1c2ccc(S(=O)(=O)NCCCn3cc[nH+]c3)cc2sc1=O ZINC000225695220 537557283 /nfs/dbraw/zinc/55/72/83/537557283.db2.gz GNGBUOFGJKPDLD-UHFFFAOYSA-N 1 2 366.468 1.648 40 0 FDABLO O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2c[nH+]cn21 ZINC000585096052 551568979 /nfs/dbraw/zinc/56/89/79/551568979.db2.gz PCGXTDYDDNMMCE-KRWDZBQOSA-N 1 2 366.377 1.695 40 0 FDABLO O=S(=O)(NC[C@@H]1C[N@H+](CCc2ccccc2)Cc2ccnn21)C1CC1 ZINC000585113058 551574471 /nfs/dbraw/zinc/57/44/71/551574471.db2.gz YCIKBJSOHVVUFZ-QGZVFWFLSA-N 1 2 360.483 1.564 40 0 FDABLO O=S(=O)(NC[C@@H]1C[N@@H+](CCc2ccccc2)Cc2ccnn21)C1CC1 ZINC000585113058 551574472 /nfs/dbraw/zinc/57/44/72/551574472.db2.gz YCIKBJSOHVVUFZ-QGZVFWFLSA-N 1 2 360.483 1.564 40 0 FDABLO Cc1cc(C)cc(C[N@H+]2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)c1 ZINC000585112407 551574652 /nfs/dbraw/zinc/57/46/52/551574652.db2.gz PEBDDILQTIHSEP-GOSISDBHSA-N 1 2 362.499 1.996 40 0 FDABLO Cc1cc(C)cc(C[N@@H+]2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)c1 ZINC000585112407 551574654 /nfs/dbraw/zinc/57/46/54/551574654.db2.gz PEBDDILQTIHSEP-GOSISDBHSA-N 1 2 362.499 1.996 40 0 FDABLO O=C(c1ccnc(F)c1)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000585113554 551574890 /nfs/dbraw/zinc/57/48/90/551574890.db2.gz MUQUVVSSUGXYJU-IBGZPJMESA-N 1 2 356.401 1.985 40 0 FDABLO CC(=O)N1CC2(CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)C[C@@H](O)C1(C)C ZINC000585290997 551580259 /nfs/dbraw/zinc/58/02/59/551580259.db2.gz KBOXCGMHFCLRKP-DWTRPJMMSA-N 1 2 360.458 1.423 40 0 FDABLO O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)C[N@H+]2C2(CN(C3CCCC3)C2)C1 ZINC000514288967 560033749 /nfs/dbraw/zinc/03/37/49/560033749.db2.gz HKTWJBRDIBAVAI-WOJBJXKFSA-N 1 2 369.509 1.504 40 0 biogenic,in-vitro FDABLO O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)C[N@@H+]2C2(CN(C3CCCC3)C2)C1 ZINC000514288967 560033750 /nfs/dbraw/zinc/03/37/50/560033750.db2.gz HKTWJBRDIBAVAI-WOJBJXKFSA-N 1 2 369.509 1.504 40 0 biogenic,in-vitro FDABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)CC1 ZINC000408593396 570575045 /nfs/dbraw/zinc/57/50/45/570575045.db2.gz QDMIHRNUESSLBU-UHFFFAOYSA-N 1 2 366.487 1.641 40 0 FDABLO CN([C@H](C(=O)NCCCn1cc[nH+]c1)c1ccccc1)S(C)(=O)=O ZINC000260761003 571122140 /nfs/dbraw/zinc/12/21/40/571122140.db2.gz DINMYMSQOMXBNB-HNNXBMFYSA-N 1 2 350.444 1.022 40 0 FDABLO CC(C)[C@H](CO)Nc1nc(NC[C@@H]2CCCO2)cc(-c2cccnc2)[nH+]1 ZINC000329045536 571130355 /nfs/dbraw/zinc/13/03/55/571130355.db2.gz TWHPDWFTHAAKPP-RDJZCZTQSA-N 1 2 357.458 2.558 40 0 FDABLO COCC(=O)N1CC[N@@H+]2[C@@H](C1)CN(C(=O)NCc1ccccc1)CC2(C)C ZINC000253408483 210215945 /nfs/dbraw/zinc/21/59/45/210215945.db2.gz XZKQLVSDCAPQRH-KRWDZBQOSA-N 1 2 374.485 1.150 40 0 biogenic,in-vitro FDABLO COCC(=O)N1CC[N@H+]2[C@@H](C1)CN(C(=O)NCc1ccccc1)CC2(C)C ZINC000253408483 210215950 /nfs/dbraw/zinc/21/59/50/210215950.db2.gz XZKQLVSDCAPQRH-KRWDZBQOSA-N 1 2 374.485 1.150 40 0 biogenic,in-vitro FDABLO C[N@H+](CC(=O)N1CCOC[C@H](Cc2ccncn2)C1)Cc1cccnc1 ZINC000257295489 529829045 /nfs/dbraw/zinc/82/90/45/529829045.db2.gz QYMPYVOUHQUJSM-QGZVFWFLSA-N 1 2 355.442 1.021 40 0 FDABLO C[N@@H+](CC(=O)N1CCOC[C@H](Cc2ccncn2)C1)Cc1cccnc1 ZINC000257295489 529829046 /nfs/dbraw/zinc/82/90/46/529829046.db2.gz QYMPYVOUHQUJSM-QGZVFWFLSA-N 1 2 355.442 1.021 40 0 FDABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000231645404 210179021 /nfs/dbraw/zinc/17/90/21/210179021.db2.gz ZHTHIOFSQYRLSB-MMQJMDILSA-N 1 2 364.829 1.927 40 0 FDABLO CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000264600807 179144152 /nfs/dbraw/zinc/14/41/52/179144152.db2.gz DMTIODWQZCSFER-HNNXBMFYSA-N 1 2 364.471 1.463 40 0 FDABLO COc1ccccc1C[N@H+]1Cc2ccnn2[C@@H](C(=O)N2CC(F)(F)C2)C1 ZINC000306141713 210057538 /nfs/dbraw/zinc/05/75/38/210057538.db2.gz WELAOWFRZHRDBP-OAHLLOKOSA-N 1 2 362.380 1.926 40 0 FDABLO COc1ccccc1C[N@@H+]1Cc2ccnn2[C@@H](C(=O)N2CC(F)(F)C2)C1 ZINC000306141713 210057543 /nfs/dbraw/zinc/05/75/43/210057543.db2.gz WELAOWFRZHRDBP-OAHLLOKOSA-N 1 2 362.380 1.926 40 0 FDABLO O=C1CCCN1C[C@@H]1CC[C@@]2(COCC[N@H+](Cc3nccs3)C2)O1 ZINC000306129351 210050992 /nfs/dbraw/zinc/05/09/92/210050992.db2.gz IBDLVDIKCDLYGG-WMLDXEAASA-N 1 2 351.472 1.516 40 0 FDABLO O=C1CCCN1C[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3nccs3)C2)O1 ZINC000306129351 210050998 /nfs/dbraw/zinc/05/09/98/210050998.db2.gz IBDLVDIKCDLYGG-WMLDXEAASA-N 1 2 351.472 1.516 40 0 FDABLO Cc1csc(CN2Cc3c[nH+]cn3[C@H](CCNS(C)(=O)=O)C2)n1 ZINC000306124618 210049345 /nfs/dbraw/zinc/04/93/45/210049345.db2.gz BUSMYTYBNVDGDQ-GFCCVEGCSA-N 1 2 355.489 1.144 40 0 FDABLO CCn1cc(C[N@H+]2Cc3cccn3C[C@@H](OCC(=O)N3CCCC3)C2)cn1 ZINC000249694010 222967182 /nfs/dbraw/zinc/96/71/82/222967182.db2.gz OQPJQKGTSVIMRE-IBGZPJMESA-N 1 2 371.485 1.728 40 0 FDABLO CCn1cc(C[N@@H+]2Cc3cccn3C[C@@H](OCC(=O)N3CCCC3)C2)cn1 ZINC000249694010 222967185 /nfs/dbraw/zinc/96/71/85/222967185.db2.gz OQPJQKGTSVIMRE-IBGZPJMESA-N 1 2 371.485 1.728 40 0 FDABLO Cc1noc2nc(C)cc(C(=O)N(C)[C@@H]3CC[C@@H](n4cc[nH+]c4)[C@@H]3O)c12 ZINC000257261147 223041314 /nfs/dbraw/zinc/04/13/14/223041314.db2.gz LFYJQDZULMPIGB-IIAWOOMASA-N 1 2 355.398 1.873 40 0 FDABLO C[NH+](C)Cc1ccnc([C@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)n1 ZINC000257297590 223054954 /nfs/dbraw/zinc/05/49/54/223054954.db2.gz RHYQDXDWQRTCSM-MRXNPFEDSA-N 1 2 351.414 1.787 40 0 FDABLO CCn1cc(C[N@@H+]2CCC[C@H](Cc3n[nH]cc3S(C)(=O)=O)C2)cn1 ZINC000257305428 223059197 /nfs/dbraw/zinc/05/91/97/223059197.db2.gz SPYOZVZCFZZZME-CYBMUJFWSA-N 1 2 351.476 1.484 40 0 FDABLO CCn1cc(C[N@H+]2CCC[C@H](Cc3n[nH]cc3S(C)(=O)=O)C2)cn1 ZINC000257305428 223059199 /nfs/dbraw/zinc/05/91/99/223059199.db2.gz SPYOZVZCFZZZME-CYBMUJFWSA-N 1 2 351.476 1.484 40 0 FDABLO Cc1nn2c(nnc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccccc1 ZINC000013639231 220080519 /nfs/dbraw/zinc/08/05/19/220080519.db2.gz AZEQPZSIQRBXSG-UHFFFAOYSA-N 1 2 350.426 1.796 40 0 FDABLO O=C(CCc1nc(-c2cccc(Cl)c2)no1)NCC[NH+]1CCOCC1 ZINC000041184810 211770681 /nfs/dbraw/zinc/77/06/81/211770681.db2.gz DLFRQMMQPVLQJN-UHFFFAOYSA-N 1 2 364.833 1.771 40 0 FDABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1 ZINC000020634600 211291714 /nfs/dbraw/zinc/29/17/14/211291714.db2.gz VAKBEEXNGUPAND-AWEZNQCLSA-N 1 2 374.393 1.322 40 0 FDABLO CN1CC[NH+](C[C@@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000022594010 220391583 /nfs/dbraw/zinc/39/15/83/220391583.db2.gz CMYYWANBRPMTNA-LLVKDONJSA-N 1 2 365.218 1.714 40 0 FDABLO C[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000070708968 221333315 /nfs/dbraw/zinc/33/33/15/221333315.db2.gz JDSDKYQAIKTDHE-UHFFFAOYSA-N 1 2 371.890 1.512 40 0 FDABLO CC[NH+](CC)Cc1nnc2sc(CN3C(=O)c4ccccc4C3=O)nn12 ZINC000071260576 221337235 /nfs/dbraw/zinc/33/72/35/221337235.db2.gz QMWBZJSQXIZIFQ-UHFFFAOYSA-N 1 2 370.438 1.824 40 0 FDABLO Cc1n[nH]c(C)c1CC(=O)N(C)C[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257258577 132295977 /nfs/dbraw/zinc/29/59/77/132295977.db2.gz KUQDOYURULKWRU-LJQANCHMSA-N 1 2 357.458 1.454 40 0 FDABLO Cc1cccc(C(=O)N2CCOC[C@@]3(CC[N@@H+](Cc4nccn4C)C3)C2)n1 ZINC000096062375 222009327 /nfs/dbraw/zinc/00/93/27/222009327.db2.gz LZXITMMBLWZZBE-HXUWFJFHSA-N 1 2 369.469 1.488 40 0 FDABLO Cc1cccc(C(=O)N2CCOC[C@@]3(CC[N@H+](Cc4nccn4C)C3)C2)n1 ZINC000096062375 222009331 /nfs/dbraw/zinc/00/93/31/222009331.db2.gz LZXITMMBLWZZBE-HXUWFJFHSA-N 1 2 369.469 1.488 40 0 FDABLO Cc1cnc(N2CCc3cc(C(=O)NC(C)C)c(N(C)C)[nH+]c3CC2)nc1 ZINC000096100425 222022003 /nfs/dbraw/zinc/02/20/03/222022003.db2.gz IJIJVMNAVFMTAF-UHFFFAOYSA-N 1 2 368.485 1.989 40 0 FDABLO Cn1cc(CN2CCc3[nH+]cn(C)c3[C@H]2COCc2cccnc2)cn1 ZINC000096187721 222070352 /nfs/dbraw/zinc/07/03/52/222070352.db2.gz ZJLZZDPJJHZWIK-GOSISDBHSA-N 1 2 352.442 1.865 40 0 FDABLO C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000041334569 519652595 /nfs/dbraw/zinc/65/25/95/519652595.db2.gz XDUDXDREMTWLNM-HNNXBMFYSA-N 1 2 365.499 1.495 40 0 FDABLO Cc1nnc(Nc2cc([C@H]3CCCN3C(=O)C[NH+](C)C)nc(C)n2)s1 ZINC000072360392 522225453 /nfs/dbraw/zinc/22/54/53/522225453.db2.gz JLNWXGCCCMSVKR-CYBMUJFWSA-N 1 2 361.475 1.914 40 0 FDABLO Cc1c[nH+]c(N)c(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)c1 ZINC000072373412 522226264 /nfs/dbraw/zinc/22/62/64/522226264.db2.gz AJFYMFYKJGRNLS-HNNXBMFYSA-N 1 2 372.469 1.650 40 0 FDABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 ZINC000072379192 522227499 /nfs/dbraw/zinc/22/74/99/522227499.db2.gz FWZCNMMKETZQLE-CQSZACIVSA-N 1 2 363.487 1.816 40 0 FDABLO Cc1nc2cc(NC(=O)C[N@@H+]3CC[C@H](O)[C@]4(CCCO4)C3)ccc2n1C ZINC000257244725 534640016 /nfs/dbraw/zinc/64/00/16/534640016.db2.gz IMNJMVQUJHAVOU-HKUYNNGSSA-N 1 2 358.442 1.436 40 0 FDABLO Cc1nc2cc(NC(=O)C[N@H+]3CC[C@H](O)[C@]4(CCCO4)C3)ccc2n1C ZINC000257244725 534640024 /nfs/dbraw/zinc/64/00/24/534640024.db2.gz IMNJMVQUJHAVOU-HKUYNNGSSA-N 1 2 358.442 1.436 40 0 FDABLO CC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000001475569 534870319 /nfs/dbraw/zinc/87/03/19/534870319.db2.gz VTMCIHMBWRZKOY-SFHVURJKSA-N 1 2 355.438 1.846 40 0 FDABLO CCCCc1[nH]c(CN2CC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)c[nH+]1 ZINC000257237478 529040017 /nfs/dbraw/zinc/04/00/17/529040017.db2.gz HGQLWPBPTSDYBL-GFCCVEGCSA-N 1 2 351.476 1.868 40 0 FDABLO CCCCc1[nH]cc(CN2CC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)[nH+]1 ZINC000257237478 529040025 /nfs/dbraw/zinc/04/00/25/529040025.db2.gz HGQLWPBPTSDYBL-GFCCVEGCSA-N 1 2 351.476 1.868 40 0 FDABLO COCC(=O)NC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000247824511 537153460 /nfs/dbraw/zinc/15/34/60/537153460.db2.gz JAEYWLBLVSKYKG-CQSZACIVSA-N 1 2 364.396 1.556 40 0 FDABLO COCC(=O)NC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000247824511 537153464 /nfs/dbraw/zinc/15/34/64/537153464.db2.gz JAEYWLBLVSKYKG-CQSZACIVSA-N 1 2 364.396 1.556 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3ccc(C)c(C)c3)C2)C[N@@H+]1CC1CC1 ZINC000247965799 537160204 /nfs/dbraw/zinc/16/02/04/537160204.db2.gz SDNITCLIRUCYQB-GOSISDBHSA-N 1 2 371.481 1.355 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3ccc(C)c(C)c3)C2)C[N@H+]1CC1CC1 ZINC000247965799 537160205 /nfs/dbraw/zinc/16/02/05/537160205.db2.gz SDNITCLIRUCYQB-GOSISDBHSA-N 1 2 371.481 1.355 40 0 FDABLO Cn1cc(C[N@H+]2Cc3cccn3C[C@H](OCC(=O)N3CCCC3)C2)cn1 ZINC000248165057 537169784 /nfs/dbraw/zinc/16/97/84/537169784.db2.gz ZJKCJYRSXMGFHF-GOSISDBHSA-N 1 2 357.458 1.245 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3cccn3C[C@H](OCC(=O)N3CCCC3)C2)cn1 ZINC000248165057 537169787 /nfs/dbraw/zinc/16/97/87/537169787.db2.gz ZJKCJYRSXMGFHF-GOSISDBHSA-N 1 2 357.458 1.245 40 0 FDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COc2cncc(C)n2)no1 ZINC000585094714 551568223 /nfs/dbraw/zinc/56/82/23/551568223.db2.gz ISLYJKKEFXUHHD-OAHLLOKOSA-N 1 2 354.414 1.821 40 0 FDABLO CCS(=O)(=O)NCC[C@H]1Cn2cccc2C[N@H+](Cc2cc(C)on2)C1 ZINC000585095405 551569040 /nfs/dbraw/zinc/56/90/40/551569040.db2.gz PVDIZKUDNAXTIA-OAHLLOKOSA-N 1 2 366.487 1.746 40 0 FDABLO CCS(=O)(=O)NCC[C@H]1Cn2cccc2C[N@@H+](Cc2cc(C)on2)C1 ZINC000585095405 551569042 /nfs/dbraw/zinc/56/90/42/551569042.db2.gz PVDIZKUDNAXTIA-OAHLLOKOSA-N 1 2 366.487 1.746 40 0 FDABLO Cc1ccccc1C[NH+]1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O ZINC000585103281 551571364 /nfs/dbraw/zinc/57/13/64/551571364.db2.gz OCAASEMHBGCICX-QGZVFWFLSA-N 1 2 373.478 1.853 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(Cc3ccc(Cl)cc3)C2)C[N@@H+]1CC1CC1 ZINC000585109592 551573126 /nfs/dbraw/zinc/57/31/26/551573126.db2.gz XWSFQTGTOVAHDD-KRWDZBQOSA-N 1 2 363.889 1.751 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(Cc3ccc(Cl)cc3)C2)C[N@H+]1CC1CC1 ZINC000585109592 551573128 /nfs/dbraw/zinc/57/31/28/551573128.db2.gz XWSFQTGTOVAHDD-KRWDZBQOSA-N 1 2 363.889 1.751 40 0 FDABLO O=C(c1ccnc(F)c1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000585110547 551573546 /nfs/dbraw/zinc/57/35/46/551573546.db2.gz DNUGTMOBGAIZEE-UHFFFAOYSA-N 1 2 358.421 1.844 40 0 FDABLO O=C(CCc1ccc[nH]1)N1CCc2[nH+]cc(CN3CCOCC3)n2CC1 ZINC000585110654 551573683 /nfs/dbraw/zinc/57/36/83/551573683.db2.gz VFMNBDQQBODOGM-UHFFFAOYSA-N 1 2 357.458 1.061 40 0 FDABLO C[N@H+](CC(=O)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1)Cc1ccncc1 ZINC000585280682 551578185 /nfs/dbraw/zinc/57/81/85/551578185.db2.gz NGJXJKNPWLQKIQ-UXHICEINSA-N 1 2 353.466 1.966 40 0 FDABLO C[N@@H+](CC(=O)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1)Cc1ccncc1 ZINC000585280682 551578188 /nfs/dbraw/zinc/57/81/88/551578188.db2.gz NGJXJKNPWLQKIQ-UXHICEINSA-N 1 2 353.466 1.966 40 0 FDABLO CNC(=O)C[C@]1(COC)CCCN1C(=O)Cc1c(C)[nH+]c2ccccn21 ZINC000585279019 551578275 /nfs/dbraw/zinc/57/82/75/551578275.db2.gz RYIDTEUPLZJBDV-IBGZPJMESA-N 1 2 358.442 1.329 40 0 FDABLO CC(C)[C@H](CO)Nc1nc(NC[C@H]2CCCO2)cc(-c2cccnc2)[nH+]1 ZINC000329045537 571130194 /nfs/dbraw/zinc/13/01/94/571130194.db2.gz TWHPDWFTHAAKPP-WBVHZDCISA-N 1 2 357.458 2.558 40 0 FDABLO Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23C[NH+](CC2CCC2)C3)n1 ZINC000253478208 571135776 /nfs/dbraw/zinc/13/57/76/571135776.db2.gz JVFMYSLXBKAMTQ-OAHLLOKOSA-N 1 2 351.472 1.453 40 0 FDABLO C[N@H+](CC(=O)N1CCOC[C@H]1CCc1cnccn1)Cc1cccnc1 ZINC000257211010 529829227 /nfs/dbraw/zinc/82/92/27/529829227.db2.gz BXCBTRHZBVTEMH-GOSISDBHSA-N 1 2 355.442 1.164 40 0 FDABLO C[N@@H+](CC(=O)N1CCOC[C@H]1CCc1cnccn1)Cc1cccnc1 ZINC000257211010 529829228 /nfs/dbraw/zinc/82/92/28/529829228.db2.gz BXCBTRHZBVTEMH-GOSISDBHSA-N 1 2 355.442 1.164 40 0 FDABLO COc1ccccc1CNc1cc(-c2cccnc2)[nH+]c(NCCCO)n1 ZINC000329028354 210131961 /nfs/dbraw/zinc/13/19/61/210131961.db2.gz PUHPOMKWKGWALN-UHFFFAOYSA-N 1 2 365.437 1.797 40 0 FDABLO COCCN1CC[C@@]2(CN(C(=O)C3CC3)C[C@@H]2c2cn(C(C)C)c[nH+]2)C1=O ZINC000306140743 210058424 /nfs/dbraw/zinc/05/84/24/210058424.db2.gz VCVZPPFHNNWOCH-UZLBHIALSA-N 1 2 374.485 1.665 40 0 FDABLO Cc1noc(C)c1C[N@H+]1Cc2ccnn2C[C@@H](CCNS(C)(=O)=O)C1 ZINC000306144357 210057870 /nfs/dbraw/zinc/05/78/70/210057870.db2.gz ZDIYKBVAZXSZRG-AWEZNQCLSA-N 1 2 367.475 1.059 40 0 FDABLO Cc1noc(C)c1C[N@@H+]1Cc2ccnn2C[C@@H](CCNS(C)(=O)=O)C1 ZINC000306144357 210057872 /nfs/dbraw/zinc/05/78/72/210057872.db2.gz ZDIYKBVAZXSZRG-AWEZNQCLSA-N 1 2 367.475 1.059 40 0 FDABLO CCn1cc(C[NH+]2CC3(C2)OCC[C@H]3CCNC(=O)c2ccnn2C)cn1 ZINC000306139336 210055158 /nfs/dbraw/zinc/05/51/58/210055158.db2.gz SUUGOZQEQNUOCW-MRXNPFEDSA-N 1 2 372.473 1.048 40 0 FDABLO COC(C)(C)C(=O)N1CCO[C@@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000257307779 223060905 /nfs/dbraw/zinc/06/09/05/223060905.db2.gz TUBYHTOMQXFXGQ-CQSZACIVSA-N 1 2 357.414 1.446 40 0 FDABLO O=C(C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1nc2ccc(F)cc2s1 ZINC000257318169 223064333 /nfs/dbraw/zinc/06/43/33/223064333.db2.gz VMTLBVPFJAQESN-YOEHRIQHSA-N 1 2 365.430 1.990 40 0 FDABLO O=C(C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1nc2ccc(F)cc2s1 ZINC000257318169 223064335 /nfs/dbraw/zinc/06/43/35/223064335.db2.gz VMTLBVPFJAQESN-YOEHRIQHSA-N 1 2 365.430 1.990 40 0 FDABLO CN(C(=O)CCc1nc2ccccc2[nH]1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257321442 223064602 /nfs/dbraw/zinc/06/46/02/223064602.db2.gz WBRZZEBXLBDTKU-GPMSIDNRSA-N 1 2 353.426 1.915 40 0 FDABLO Cc1ncc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)n1 ZINC000019937098 211262078 /nfs/dbraw/zinc/26/20/78/211262078.db2.gz GYKAUSNUGPXFIP-UHFFFAOYSA-N 1 2 354.410 1.780 40 0 FDABLO COc1ccc2[nH]c(C(=O)NC[C@H](C)[NH+]3CCOCC3)c(NC(C)=O)c2c1 ZINC000019719867 211252502 /nfs/dbraw/zinc/25/25/02/211252502.db2.gz ULQRFKHCXGGRKC-LBPRGKRZSA-N 1 2 374.441 1.585 40 0 FDABLO COc1ccc(OC)c([C@H](O)C[NH+]2CCN(Cc3ccccn3)CC2)c1 ZINC000019551172 211231872 /nfs/dbraw/zinc/23/18/72/211231872.db2.gz SRKNMUHVLZLKCP-LJQANCHMSA-N 1 2 357.454 1.950 40 0 FDABLO COc1ccc(OC)c([C@H](O)CN2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000019551172 211231875 /nfs/dbraw/zinc/23/18/75/211231875.db2.gz SRKNMUHVLZLKCP-LJQANCHMSA-N 1 2 357.454 1.950 40 0 FDABLO CCOC(=O)[C@]1(CC)[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000019500765 211224823 /nfs/dbraw/zinc/22/48/23/211224823.db2.gz HSGRKWCSKYMMPD-ZKNHNOBHSA-N 1 2 374.437 1.673 40 0 FDABLO CNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1C(=O)NCc1ccccn1 ZINC000096112978 222031012 /nfs/dbraw/zinc/03/10/12/222031012.db2.gz INBMSNNUHATCRN-ZWKOTPCHSA-N 1 2 352.438 1.650 40 0 biogenic,in-vitro FDABLO CNC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1C(=O)NCc1ccccn1 ZINC000096112978 222031015 /nfs/dbraw/zinc/03/10/15/222031015.db2.gz INBMSNNUHATCRN-ZWKOTPCHSA-N 1 2 352.438 1.650 40 0 biogenic,in-vitro FDABLO CC(C)NC(=O)[C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000096250940 222099856 /nfs/dbraw/zinc/09/98/56/222099856.db2.gz SYSGUNLWQFOADI-GVDBMIGSSA-N 1 2 368.474 1.585 40 0 FDABLO CC(C)NC(=O)[C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000096250940 222099858 /nfs/dbraw/zinc/09/98/58/222099858.db2.gz SYSGUNLWQFOADI-GVDBMIGSSA-N 1 2 368.474 1.585 40 0 FDABLO CC(C)NC(=O)[C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]21 ZINC000096250949 222100287 /nfs/dbraw/zinc/10/02/87/222100287.db2.gz VHCWLZBGFVZKPS-ZMSDIMECSA-N 1 2 368.474 1.585 40 0 FDABLO CC(C)NC(=O)[C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC000096250949 222100289 /nfs/dbraw/zinc/10/02/89/222100289.db2.gz VHCWLZBGFVZKPS-ZMSDIMECSA-N 1 2 368.474 1.585 40 0 FDABLO COc1cccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)NCc4cccnc4)[C@@H](C2)O3)c1 ZINC000096253305 222101658 /nfs/dbraw/zinc/10/16/58/222101658.db2.gz ASTWHLBPAVFHCQ-HSALFYBXSA-N 1 2 367.449 1.996 40 0 FDABLO COc1cccc(C[N@H+]2C[C@H]3C[C@H](C(=O)NCc4cccnc4)[C@@H](C2)O3)c1 ZINC000096253305 222101662 /nfs/dbraw/zinc/10/16/62/222101662.db2.gz ASTWHLBPAVFHCQ-HSALFYBXSA-N 1 2 367.449 1.996 40 0 FDABLO O=C(NCc1ccccn1)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000096186989 222070904 /nfs/dbraw/zinc/07/09/04/222070904.db2.gz NKJOSZGVGSPTSK-OAGGEKHMSA-N 1 2 358.467 1.976 40 0 FDABLO O=C(NCc1ccccn1)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1 ZINC000096186989 222070908 /nfs/dbraw/zinc/07/09/08/222070908.db2.gz NKJOSZGVGSPTSK-OAGGEKHMSA-N 1 2 358.467 1.976 40 0 FDABLO COCCN(CCOC)c1[nH+]cnc2c1cnn2-c1ccc(OC)cc1 ZINC000003912233 518281747 /nfs/dbraw/zinc/28/17/47/518281747.db2.gz VCOYZMCPUWDVJM-UHFFFAOYSA-N 1 2 357.414 1.923 40 0 FDABLO O=C(C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1ccccc1F ZINC000012144572 518591008 /nfs/dbraw/zinc/59/10/08/518591008.db2.gz IGDHJAQYKWONTL-UHFFFAOYSA-N 1 2 371.416 1.506 40 0 FDABLO O=C(C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1ccccc1F ZINC000012144572 518591017 /nfs/dbraw/zinc/59/10/17/518591017.db2.gz IGDHJAQYKWONTL-UHFFFAOYSA-N 1 2 371.416 1.506 40 0 FDABLO CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@H]3CSC[N@@H+]32)c2ccccc21 ZINC000033821666 519591669 /nfs/dbraw/zinc/59/16/69/519591669.db2.gz WHZFXMKPVAUKLO-QBPKDAKJSA-N 1 2 369.446 1.962 40 0 FDABLO CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@H]3CSC[N@H+]32)c2ccccc21 ZINC000033821666 519591679 /nfs/dbraw/zinc/59/16/79/519591679.db2.gz WHZFXMKPVAUKLO-QBPKDAKJSA-N 1 2 369.446 1.962 40 0 FDABLO CCc1nc(=O)c2ccccc2n1C1=CC[N@H+](CC(=O)NCCOC)CC1 ZINC000072348277 522223631 /nfs/dbraw/zinc/22/36/31/522223631.db2.gz HFVIFFRTIURJGS-UHFFFAOYSA-N 1 2 370.453 1.268 40 0 FDABLO CCc1nc(=O)c2ccccc2n1C1=CC[N@@H+](CC(=O)NCCOC)CC1 ZINC000072348277 522223644 /nfs/dbraw/zinc/22/36/44/522223644.db2.gz HFVIFFRTIURJGS-UHFFFAOYSA-N 1 2 370.453 1.268 40 0 FDABLO CCc1nnc(Nc2cc(C)nc([C@H]3CCN(C(=O)C[NH2+]C)C3)n2)s1 ZINC000072383035 522230714 /nfs/dbraw/zinc/23/07/14/522230714.db2.gz FMGQTEHNEQGNLI-NSHDSACASA-N 1 2 361.475 1.478 40 0 FDABLO CCCn1cc[nH+]c1CN1CCC[C@@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257299143 528867891 /nfs/dbraw/zinc/86/78/91/528867891.db2.gz ROXBDKXQNYQRTO-CYBMUJFWSA-N 1 2 351.476 1.799 40 0 FDABLO C[NH+]1CCN(C(=O)Cn2ccc(=O)c3ccc(Br)cc32)CC1 ZINC000225741236 537558406 /nfs/dbraw/zinc/55/84/06/537558406.db2.gz XEHTWEBRINZFMD-UHFFFAOYSA-N 1 2 364.243 1.538 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3cccc(C)c3)C2)C[N@@H+]1CC1CC1 ZINC000575402706 550460320 /nfs/dbraw/zinc/46/03/20/550460320.db2.gz AWUAOPJOQLRGNA-QGZVFWFLSA-N 1 2 357.454 1.046 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3cccc(C)c3)C2)C[N@H+]1CC1CC1 ZINC000575402706 550460321 /nfs/dbraw/zinc/46/03/21/550460321.db2.gz AWUAOPJOQLRGNA-QGZVFWFLSA-N 1 2 357.454 1.046 40 0 FDABLO COc1ccccc1CN1Cc2ncn(C)c2C[C@H]1C[NH+]1CCOCC1 ZINC000585094973 551568364 /nfs/dbraw/zinc/56/83/64/551568364.db2.gz XTECTYLNERRUKE-KRWDZBQOSA-N 1 2 356.470 1.688 40 0 FDABLO CCc1ccc(C[NH+]2CC3(C2)CC[C@H](CNS(C)(=O)=O)CO3)cc1 ZINC000585104998 551571751 /nfs/dbraw/zinc/57/17/51/551571751.db2.gz NNHVOVNILRUUPJ-QGZVFWFLSA-N 1 2 352.500 1.779 40 0 FDABLO C[N@H+](CC(=O)N1CC[C@](O)(COc2ccccc2)C1)Cc1ccncc1 ZINC000585275800 551576785 /nfs/dbraw/zinc/57/67/85/551576785.db2.gz JQNZPEWQKXULMS-HXUWFJFHSA-N 1 2 355.438 1.556 40 0 FDABLO C[N@@H+](CC(=O)N1CC[C@](O)(COc2ccccc2)C1)Cc1ccncc1 ZINC000585275800 551576788 /nfs/dbraw/zinc/57/67/88/551576788.db2.gz JQNZPEWQKXULMS-HXUWFJFHSA-N 1 2 355.438 1.556 40 0 FDABLO Cc1ccc(OC[C@]2(O)CCC[N@@H+](CC(=O)Nc3cnn(C)c3)C2)cc1 ZINC000585275751 551576988 /nfs/dbraw/zinc/57/69/88/551576988.db2.gz GQRMALFQFXLTQA-IBGZPJMESA-N 1 2 358.442 1.573 40 0 FDABLO Cc1ccc(OC[C@]2(O)CCC[N@H+](CC(=O)Nc3cnn(C)c3)C2)cc1 ZINC000585275751 551576990 /nfs/dbraw/zinc/57/69/90/551576990.db2.gz GQRMALFQFXLTQA-IBGZPJMESA-N 1 2 358.442 1.573 40 0 FDABLO CCOC(=O)COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408593268 570573596 /nfs/dbraw/zinc/57/35/96/570573596.db2.gz MEOOJKKOVVXZBG-UHFFFAOYSA-N 1 2 367.427 1.194 40 0 FDABLO C[N@H+](CC(=O)NCc1cnc([C@H]2CCCCO2)nc1)Cc1cccnc1 ZINC000257246167 529836228 /nfs/dbraw/zinc/83/62/28/529836228.db2.gz ISVJLDPNFCJGEL-QGZVFWFLSA-N 1 2 355.442 1.861 40 0 FDABLO C[N@@H+](CC(=O)NCc1cnc([C@H]2CCCCO2)nc1)Cc1cccnc1 ZINC000257246167 529836229 /nfs/dbraw/zinc/83/62/29/529836229.db2.gz ISVJLDPNFCJGEL-QGZVFWFLSA-N 1 2 355.442 1.861 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)CC[N@@H+]1C(C)C ZINC000257244570 529909207 /nfs/dbraw/zinc/90/92/07/529909207.db2.gz ILXPHSGZZGTJDJ-KRWDZBQOSA-N 1 2 372.469 1.094 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)CC[N@H+]1C(C)C ZINC000257244570 529909209 /nfs/dbraw/zinc/90/92/09/529909209.db2.gz ILXPHSGZZGTJDJ-KRWDZBQOSA-N 1 2 372.469 1.094 40 0 FDABLO OCCCNc1nc(NCCc2ccccn2)cc(-c2ccncc2)[nH+]1 ZINC000329005209 210128731 /nfs/dbraw/zinc/12/87/31/210128731.db2.gz KWVSUNJWSYCJRA-UHFFFAOYSA-N 1 2 350.426 1.226 40 0 FDABLO C[C@H](CO)Nc1nc(NCCc2ccccn2)cc(-c2ccncc2)[nH+]1 ZINC000328971174 210126511 /nfs/dbraw/zinc/12/65/11/210126511.db2.gz DNRPICCUKFIDTC-CQSZACIVSA-N 1 2 350.426 1.225 40 0 FDABLO CS(=O)(=O)NC[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000306137662 210056255 /nfs/dbraw/zinc/05/62/55/210056255.db2.gz RCPUDLCEBOXQFU-HNNXBMFYSA-N 1 2 359.455 1.471 40 0 FDABLO CS(=O)(=O)NC[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000306137662 210056258 /nfs/dbraw/zinc/05/62/58/210056258.db2.gz RCPUDLCEBOXQFU-HNNXBMFYSA-N 1 2 359.455 1.471 40 0 FDABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@H]3CCNC(=O)C2CC(F)(F)C2)cn1 ZINC000306135474 210053086 /nfs/dbraw/zinc/05/30/86/210053086.db2.gz ORZGMNYDINGWHQ-OAHLLOKOSA-N 1 2 368.428 1.563 40 0 FDABLO CN(C)S(=O)(=O)N1CCC(Cc2ccnc(-c3c[nH+]cn3C)c2)CC1 ZINC000257265861 223043271 /nfs/dbraw/zinc/04/32/71/223043271.db2.gz MAQZSXQVKPSCTA-UHFFFAOYSA-N 1 2 363.487 1.543 40 0 FDABLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CC[NH+](C)CC1 ZINC000020061517 211265951 /nfs/dbraw/zinc/26/59/51/211265951.db2.gz WFQWUJBNPRLDID-UHFFFAOYSA-N 1 2 365.499 1.557 40 0 FDABLO CCOC(=O)[C@@]1(CC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000019500746 211226868 /nfs/dbraw/zinc/22/68/68/211226868.db2.gz OWDXQNUTULMXQF-XLPNERPQSA-N 1 2 360.410 1.370 40 0 FDABLO O=S(=O)(c1cccnc1)N1C[C@H](C[NH+]2CCOCC2)c2ccccc21 ZINC000019374941 211221741 /nfs/dbraw/zinc/22/17/41/211221741.db2.gz OUVRAMIWQWPHMZ-HNNXBMFYSA-N 1 2 359.451 1.706 40 0 FDABLO CC(=O)OCC/C(SC(C)=O)=C(/C)N(C=O)Cc1c[nH+]c(C)nc1N ZINC000001565547 210360556 /nfs/dbraw/zinc/36/05/56/210360556.db2.gz ISIPQAHMLLFSFR-XNTDXEJSSA-N 1 2 366.443 1.790 40 0 in-man FDABLO Cc1nn(Cc2noc(C(=O)NCCCn3cc[nH+]c3)n2)c(C)c1Cl ZINC000021451337 220358081 /nfs/dbraw/zinc/35/80/81/220358081.db2.gz KXAOAFOEYPFRSE-UHFFFAOYSA-N 1 2 363.809 1.601 40 0 FDABLO COc1cc(C(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)nc(OC)n1 ZINC000257237902 533520551 /nfs/dbraw/zinc/52/05/51/533520551.db2.gz HITAGOVDSZGTJO-CQSZACIVSA-N 1 2 357.414 1.932 40 0 FDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)C1CCC1)CC2 ZINC000096254932 132224580 /nfs/dbraw/zinc/22/45/80/132224580.db2.gz SEZPBUZKQSSYQQ-UHFFFAOYSA-N 1 2 359.474 1.107 40 0 FDABLO O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000101969133 132234358 /nfs/dbraw/zinc/23/43/58/132234358.db2.gz DQRABVSJVLOARW-IYBDPMFKSA-N 1 2 355.446 1.223 40 0 FDABLO Cn1cc(-c2cnc3c(N4CC[NH+](Cc5ccccn5)CC4)nccn23)cn1 ZINC000306132254 132301551 /nfs/dbraw/zinc/30/15/51/132301551.db2.gz LCYWQKDXHCCLCC-UHFFFAOYSA-N 1 2 374.452 1.847 40 0 FDABLO COC(=O)c1ccc2[nH]c(CO[C@H]3CN(Cc4[nH]cc[nH+]4)C[C@H]3F)nc2c1 ZINC000096112384 222030148 /nfs/dbraw/zinc/03/01/48/222030148.db2.gz VBPIUGUNEJSPOD-DOMZBBRYSA-N 1 2 373.388 1.812 40 0 biogenic,in-vitro FDABLO CCc1cnc(N2CCO[C@@H]3C[N@H+](Cc4nccn4C)CC[C@@H]3C2)nc1 ZINC000096249773 222100034 /nfs/dbraw/zinc/10/00/34/222100034.db2.gz QBKOHJHXTFPDCB-IAGOWNOFSA-N 1 2 356.474 1.500 40 0 FDABLO CCc1cnc(N2CCO[C@@H]3C[N@@H+](Cc4nccn4C)CC[C@@H]3C2)nc1 ZINC000096249773 222100035 /nfs/dbraw/zinc/10/00/35/222100035.db2.gz QBKOHJHXTFPDCB-IAGOWNOFSA-N 1 2 356.474 1.500 40 0 FDABLO CCS(=O)(=O)N1Cc2c[nH+]cn2C[C@H](COCc2ccccn2)C1 ZINC000096209346 222079591 /nfs/dbraw/zinc/07/95/91/222079591.db2.gz HRTMGKZKNCZMGJ-AWEZNQCLSA-N 1 2 350.444 1.276 40 0 FDABLO O=C(Cc1cccnc1)N1CCC[C@]2(C1)COCC[N@H+](Cc1cc[nH]n1)C2 ZINC000096228852 222090047 /nfs/dbraw/zinc/09/00/47/222090047.db2.gz RKZIVDUJGLHIEO-FQEVSTJZSA-N 1 2 369.469 1.488 40 0 FDABLO O=C(Cc1cccnc1)N1CCC[C@]2(C1)COCC[N@@H+](Cc1cc[nH]n1)C2 ZINC000096228852 222090049 /nfs/dbraw/zinc/09/00/49/222090049.db2.gz RKZIVDUJGLHIEO-FQEVSTJZSA-N 1 2 369.469 1.488 40 0 FDABLO Cc1ccc(N2CCOC[C@]3(CCC[N@@H+](Cc4nccn4C)C3)C2)nn1 ZINC000096229176 222091825 /nfs/dbraw/zinc/09/18/25/222091825.db2.gz SXZIGSWPPKECCU-IBGZPJMESA-N 1 2 356.474 1.638 40 0 FDABLO Cc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4nccn4C)C3)C2)nn1 ZINC000096229176 222091830 /nfs/dbraw/zinc/09/18/30/222091830.db2.gz SXZIGSWPPKECCU-IBGZPJMESA-N 1 2 356.474 1.638 40 0 FDABLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000328785152 259058648 /nfs/dbraw/zinc/05/86/48/259058648.db2.gz OGZWZGYJFHFFCK-SECBINFHSA-N 1 2 351.204 1.913 40 0 FDABLO COc1cccc2c(C)c(C(=O)N3CC[N@H+](C(C)C)[C@@H](C(N)=O)C3)[nH]c21 ZINC000257253452 533832859 /nfs/dbraw/zinc/83/28/59/533832859.db2.gz JYZBOLPWBDGDJP-CQSZACIVSA-N 1 2 358.442 1.505 40 0 FDABLO COc1cccc2c(C)c(C(=O)N3CC[N@@H+](C(C)C)[C@@H](C(N)=O)C3)[nH]c21 ZINC000257253452 533832867 /nfs/dbraw/zinc/83/28/67/533832867.db2.gz JYZBOLPWBDGDJP-CQSZACIVSA-N 1 2 358.442 1.505 40 0 FDABLO Cc1cccc(C)c1Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC000005255828 518337930 /nfs/dbraw/zinc/33/79/30/518337930.db2.gz YLIWEKAVIBBCAD-UHFFFAOYSA-N 1 2 370.457 1.905 40 0 FDABLO CC(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c(-n3cccc3)c2)CC1 ZINC000012088100 518587391 /nfs/dbraw/zinc/58/73/91/518587391.db2.gz LJLKTTWYCHTRGZ-UHFFFAOYSA-N 1 2 363.421 1.967 40 0 FDABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@]3(C2)CNC(=O)c2ccccc2O3)no1 ZINC000012087278 518587541 /nfs/dbraw/zinc/58/75/41/518587541.db2.gz DCWFFIXGUUJFGU-LJQANCHMSA-N 1 2 370.409 1.579 40 0 FDABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@]3(C2)CNC(=O)c2ccccc2O3)no1 ZINC000012087278 518587545 /nfs/dbraw/zinc/58/75/45/518587545.db2.gz DCWFFIXGUUJFGU-LJQANCHMSA-N 1 2 370.409 1.579 40 0 FDABLO COc1ncc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)cn1 ZINC000019572074 518818967 /nfs/dbraw/zinc/81/89/67/518818967.db2.gz QUUYWUJHNLPWBQ-WMLDXEAASA-N 1 2 368.441 1.374 40 0 FDABLO COc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)cn1 ZINC000019572074 518818974 /nfs/dbraw/zinc/81/89/74/518818974.db2.gz QUUYWUJHNLPWBQ-WMLDXEAASA-N 1 2 368.441 1.374 40 0 FDABLO O=C1C[C@@H](c2ccccc2O)Cc2nc(N3CC[NH+](CCO)CC3)ncc21 ZINC000020478105 518851828 /nfs/dbraw/zinc/85/18/28/518851828.db2.gz BFFMBZVJSHJNCS-AWEZNQCLSA-N 1 2 368.437 1.209 40 0 FDABLO O=C(CCc1nc2ccccc2[nH]1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257290254 534494037 /nfs/dbraw/zinc/49/40/37/534494037.db2.gz QCEHEPZBGQBQJY-IRXDYDNUSA-N 1 2 353.426 1.917 40 0 FDABLO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1ccccc1OC(F)F ZINC000257229196 534549405 /nfs/dbraw/zinc/54/94/05/534549405.db2.gz FXCHVUJQXDEZJK-YOEHRIQHSA-N 1 2 356.369 1.842 40 0 FDABLO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1ccccc1OC(F)F ZINC000257229196 534549408 /nfs/dbraw/zinc/54/94/08/534549408.db2.gz FXCHVUJQXDEZJK-YOEHRIQHSA-N 1 2 356.369 1.842 40 0 FDABLO CC(C)[NH+]1CCN(S(=O)(=O)c2cncc(Br)c2N)CC1 ZINC000072210928 522201866 /nfs/dbraw/zinc/20/18/66/522201866.db2.gz RQRMFMHPSOBHTJ-UHFFFAOYSA-N 1 2 363.281 1.141 40 0 FDABLO C[NH+]1CCN(C(=O)c2ccc([C@H]3CCCN3C(=O)c3cc[nH]n3)nc2)CC1 ZINC000072374440 522228428 /nfs/dbraw/zinc/22/84/28/522228428.db2.gz BROICGIKVGYCOL-QGZVFWFLSA-N 1 2 368.441 1.170 40 0 FDABLO C[NH+]1CCN(C(=O)c2ccc([C@H]3CCCN3C(=O)c3ccn[nH]3)nc2)CC1 ZINC000072374440 522228439 /nfs/dbraw/zinc/22/84/39/522228439.db2.gz BROICGIKVGYCOL-QGZVFWFLSA-N 1 2 368.441 1.170 40 0 FDABLO COc1ccc(CC(=O)N2CCc3nnc([C@H]4CCC[N@@H+]4C)n3CC2)cc1 ZINC000072380194 522228494 /nfs/dbraw/zinc/22/84/94/522228494.db2.gz YLIVJNJSIJBQJE-QGZVFWFLSA-N 1 2 369.469 1.681 40 0 FDABLO COc1ccc(CC(=O)N2CCc3nnc([C@H]4CCC[N@H+]4C)n3CC2)cc1 ZINC000072380194 522228507 /nfs/dbraw/zinc/22/85/07/522228507.db2.gz YLIVJNJSIJBQJE-QGZVFWFLSA-N 1 2 369.469 1.681 40 0 FDABLO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000078269261 523547724 /nfs/dbraw/zinc/54/77/24/523547724.db2.gz ZODHLSVTCICPIV-SJLPKXTDSA-N 1 2 371.485 1.136 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(C(=O)CC3=CCCCC3)C2)C[N@@H+]1CC1CC1 ZINC000247988689 537161089 /nfs/dbraw/zinc/16/10/89/537161089.db2.gz ZZOGHXFNIONTEP-QGZVFWFLSA-N 1 2 361.486 1.315 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(C(=O)CC3=CCCCC3)C2)C[N@H+]1CC1CC1 ZINC000247988689 537161090 /nfs/dbraw/zinc/16/10/90/537161090.db2.gz ZZOGHXFNIONTEP-QGZVFWFLSA-N 1 2 361.486 1.315 40 0 FDABLO Cc1cccc(OC[C@]2(O)COCCN(C(=O)CCn3cc[nH+]c3)C2)c1 ZINC000585278972 551578418 /nfs/dbraw/zinc/57/84/18/551578418.db2.gz XNMRDDPFHSPJFM-LJQANCHMSA-N 1 2 359.426 1.251 40 0 FDABLO CN(C)c1cc(N2C[C@H]3OC[C@H](CNC(=O)c4ccsc4)[C@H]3C2)nc[nH+]1 ZINC000306133196 529772990 /nfs/dbraw/zinc/77/29/90/529772990.db2.gz METLCCQLRDTBKT-RRFJBIMHSA-N 1 2 373.482 1.485 40 0 FDABLO CN(C)c1cc(N2C[C@H]3OC[C@H](CNC(=O)c4ccsc4)[C@H]3C2)[nH+]cn1 ZINC000306133196 529772991 /nfs/dbraw/zinc/77/29/91/529772991.db2.gz METLCCQLRDTBKT-RRFJBIMHSA-N 1 2 373.482 1.485 40 0 FDABLO C[N@@H+]1CC[C@H](NCc2ccccc2)[C@@]2(CC(C(=O)NCC3CC3)=NO2)C1 ZINC000306123773 529806747 /nfs/dbraw/zinc/80/67/47/529806747.db2.gz AWJAUMPQCRFYIS-AZUAARDMSA-N 1 2 356.470 1.522 40 0 FDABLO C[N@H+]1CC[C@H](NCc2ccccc2)[C@@]2(CC(C(=O)NCC3CC3)=NO2)C1 ZINC000306123773 529806748 /nfs/dbraw/zinc/80/67/48/529806748.db2.gz AWJAUMPQCRFYIS-AZUAARDMSA-N 1 2 356.470 1.522 40 0 FDABLO COCCN1CC[C@@]2(CN(C(=O)c3ccco3)C[C@H]2c2cn(C)c[nH+]2)C1=O ZINC000306123867 223107147 /nfs/dbraw/zinc/10/71/47/223107147.db2.gz AYXBFIXTFLPWMJ-LIRRHRJNSA-N 1 2 372.425 1.118 40 0 FDABLO Cc1cnc(C(=O)N[C@H]2CCCC[C@@]23CN(Cc2[nH]cc[nH+]2)CCO3)cn1 ZINC000306141068 223112677 /nfs/dbraw/zinc/11/26/77/223112677.db2.gz VKOMTCTZTJYASA-QFBILLFUSA-N 1 2 370.457 1.452 40 0 FDABLO OCCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000329047244 223130668 /nfs/dbraw/zinc/13/06/68/223130668.db2.gz UFSJGRVIKAOMEK-UHFFFAOYSA-N 1 2 357.364 1.677 40 0 FDABLO CNc1cc([C@H]2CCCN2C(=O)CNc2ccc3nncn3n2)cc[nH+]1 ZINC000257306722 533055360 /nfs/dbraw/zinc/05/53/60/533055360.db2.gz SVNJYZMVAWRWTG-CYBMUJFWSA-N 1 2 352.402 1.337 40 0 FDABLO C[N@@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)COc1ccccc1)CC2 ZINC000019706522 220287615 /nfs/dbraw/zinc/28/76/15/220287615.db2.gz NKKZWAGMBZASAC-MRXNPFEDSA-N 1 2 355.442 1.509 40 0 FDABLO C[N@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)COc1ccccc1)CC2 ZINC000019706522 220287619 /nfs/dbraw/zinc/28/76/19/220287619.db2.gz NKKZWAGMBZASAC-MRXNPFEDSA-N 1 2 355.442 1.509 40 0 FDABLO O=C(C[N@@H+]1CCC[C@H](NC(=O)c2cnccn2)CC1)Nc1nccs1 ZINC000019749193 220293496 /nfs/dbraw/zinc/29/34/96/220293496.db2.gz OUBRLNDTXDOHQY-LBPRGKRZSA-N 1 2 360.443 1.156 40 0 FDABLO O=C(C[N@H+]1CCC[C@H](NC(=O)c2cnccn2)CC1)Nc1nccs1 ZINC000019749193 220293499 /nfs/dbraw/zinc/29/34/99/220293499.db2.gz OUBRLNDTXDOHQY-LBPRGKRZSA-N 1 2 360.443 1.156 40 0 FDABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000257327566 533467892 /nfs/dbraw/zinc/46/78/92/533467892.db2.gz XBVSOFTYNUSUEA-GFCCVEGCSA-N 1 2 353.419 1.821 40 0 FDABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000257327566 533467899 /nfs/dbraw/zinc/46/78/99/533467899.db2.gz XBVSOFTYNUSUEA-GFCCVEGCSA-N 1 2 353.419 1.821 40 0 FDABLO [NH3+]c1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(-n2cnnc2)c1 ZINC000070461839 136138411 /nfs/dbraw/zinc/13/84/11/136138411.db2.gz HBAIGMGBPQTPRC-UHFFFAOYSA-N 1 2 366.400 1.951 40 0 FDABLO Cc1ccc(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)o1 ZINC000072335564 136144485 /nfs/dbraw/zinc/14/44/85/136144485.db2.gz HBYWIKIMXTYUFC-OKILXGFUSA-N 1 2 358.442 1.843 40 0 FDABLO Cc1ccc(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)o1 ZINC000072335564 136144486 /nfs/dbraw/zinc/14/44/86/136144486.db2.gz HBYWIKIMXTYUFC-OKILXGFUSA-N 1 2 358.442 1.843 40 0 FDABLO c1csc(CN2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)n1 ZINC000096052356 222002456 /nfs/dbraw/zinc/00/24/56/222002456.db2.gz XLCPJEUITFTDJD-NVXWUHKLSA-N 1 2 353.488 1.225 40 0 FDABLO C[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)O2)CC1 ZINC000096057504 222005693 /nfs/dbraw/zinc/00/56/93/222005693.db2.gz GEBRPUMBGXRUDQ-RBSFLKMASA-N 1 2 350.488 1.039 40 0 FDABLO O=C(c1ccnnc1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000096061699 222009096 /nfs/dbraw/zinc/00/90/96/222009096.db2.gz ZRYGELUGLSYKLM-MOPGFXCFSA-N 1 2 352.438 1.635 40 0 FDABLO CCCS(=O)(=O)N1CCc2[nH+]c(N3CCCC3)nc(N(C)C)c2C1 ZINC000096254003 222101625 /nfs/dbraw/zinc/10/16/25/222101625.db2.gz JVHGHCWDKNKFJW-UHFFFAOYSA-N 1 2 353.492 1.241 40 0 FDABLO O=C(c1ccnnc1)N1CCC2(CC1)C[N@H+](Cc1ccccn1)CCO2 ZINC000096158842 222058834 /nfs/dbraw/zinc/05/88/34/222058834.db2.gz CVPFRCDTHDDTTM-UHFFFAOYSA-N 1 2 353.426 1.379 40 0 FDABLO O=C(c1ccnnc1)N1CCC2(CC1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000096158842 222058836 /nfs/dbraw/zinc/05/88/36/222058836.db2.gz CVPFRCDTHDDTTM-UHFFFAOYSA-N 1 2 353.426 1.379 40 0 FDABLO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2cnn(C)c2)CCO3)no1 ZINC000096206972 222076212 /nfs/dbraw/zinc/07/62/12/222076212.db2.gz CSDICZFMTKQFPV-MAUKXSAKSA-N 1 2 359.430 1.270 40 0 FDABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2cnn(C)c2)CCO3)no1 ZINC000096206972 222076217 /nfs/dbraw/zinc/07/62/17/222076217.db2.gz CSDICZFMTKQFPV-MAUKXSAKSA-N 1 2 359.430 1.270 40 0 FDABLO O=C(NCc1cccnc1)C1=NO[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096225797 222087458 /nfs/dbraw/zinc/08/74/58/222087458.db2.gz UWUNQACJMFGJNC-LJQANCHMSA-N 1 2 351.410 1.514 40 0 FDABLO O=C(NCc1cccnc1)C1=NO[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096225797 222087462 /nfs/dbraw/zinc/08/74/62/222087462.db2.gz UWUNQACJMFGJNC-LJQANCHMSA-N 1 2 351.410 1.514 40 0 FDABLO CCS(=O)(=O)N1CCO[C@]2(CCC[N@H+](Cc3csc(C)n3)C2)C1 ZINC000096226702 222087993 /nfs/dbraw/zinc/08/79/93/222087993.db2.gz XNQYBZXWKCMCCY-HNNXBMFYSA-N 1 2 359.517 1.468 40 0 FDABLO CCS(=O)(=O)N1CCO[C@]2(CCC[N@@H+](Cc3csc(C)n3)C2)C1 ZINC000096226702 222087996 /nfs/dbraw/zinc/08/79/96/222087996.db2.gz XNQYBZXWKCMCCY-HNNXBMFYSA-N 1 2 359.517 1.468 40 0 FDABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C(C)=O)cc3)C2=O)C1 ZINC000017076215 263372456 /nfs/dbraw/zinc/37/24/56/263372456.db2.gz QEMDEGFSODTGJP-DOTOQJQBSA-N 1 2 372.421 1.796 40 0 FDABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(C(C)=O)cc3)C2=O)C1 ZINC000017076215 263372458 /nfs/dbraw/zinc/37/24/58/263372458.db2.gz QEMDEGFSODTGJP-DOTOQJQBSA-N 1 2 372.421 1.796 40 0 FDABLO O=C(NCCCn1cc[nH+]c1)/C(=C/c1ccc[nH]1)NC(=O)c1ccco1 ZINC000004902943 518318115 /nfs/dbraw/zinc/31/81/15/518318115.db2.gz MNIHWEATBZYFPL-QINSGFPZSA-N 1 2 353.382 1.782 40 0 FDABLO O=C(C[N@@H+]1CCC[C@]2(C1)CNC(=O)c1ccccc1O2)Nc1nccs1 ZINC000072334242 522218802 /nfs/dbraw/zinc/21/88/02/522218802.db2.gz KEVTURWNTNGBLU-GOSISDBHSA-N 1 2 372.450 1.739 40 0 FDABLO O=C(C[N@H+]1CCC[C@]2(C1)CNC(=O)c1ccccc1O2)Nc1nccs1 ZINC000072334242 522218814 /nfs/dbraw/zinc/21/88/14/522218814.db2.gz KEVTURWNTNGBLU-GOSISDBHSA-N 1 2 372.450 1.739 40 0 FDABLO O=C([C@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21)N1CCOCC1 ZINC000247804957 537150655 /nfs/dbraw/zinc/15/06/55/537150655.db2.gz AEDTXBBHKCBBHI-LJQANCHMSA-N 1 2 365.437 1.780 40 0 FDABLO O=C([C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21)N1CCOCC1 ZINC000247804957 537150660 /nfs/dbraw/zinc/15/06/60/537150660.db2.gz AEDTXBBHKCBBHI-LJQANCHMSA-N 1 2 365.437 1.780 40 0 FDABLO Cc1cccc(COC[C@@H]2CCS(=O)(=O)C23C[NH+](C2CCC2)C3)n1 ZINC000247863451 537154213 /nfs/dbraw/zinc/15/42/13/537154213.db2.gz HFWYVZJNAXEIJU-HNNXBMFYSA-N 1 2 350.484 1.948 40 0 FDABLO Cc1ccc(C[NH+]2CC3(C2)CN(C)[C@@H](C(=O)N2CCCCO2)CO3)s1 ZINC000247963272 537159883 /nfs/dbraw/zinc/15/98/83/537159883.db2.gz GCPHIVDOCQTUTI-MRXNPFEDSA-N 1 2 365.499 1.496 40 0 FDABLO CN(C)c1cc(N2CC3(C2)C[C@@H](OCc2ccncc2)CCO3)nc[nH+]1 ZINC000248137359 537168114 /nfs/dbraw/zinc/16/81/14/537168114.db2.gz RZKSAZFHLPGZIC-INIZCTEOSA-N 1 2 355.442 1.892 40 0 FDABLO CN(C)c1cc(N2CC3(C2)C[C@@H](OCc2ccncc2)CCO3)[nH+]cn1 ZINC000248137359 537168115 /nfs/dbraw/zinc/16/81/15/537168115.db2.gz RZKSAZFHLPGZIC-INIZCTEOSA-N 1 2 355.442 1.892 40 0 FDABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccco2)N1CC[NH+]1CCOCC1 ZINC000223124442 537519826 /nfs/dbraw/zinc/51/98/26/537519826.db2.gz KHAQVLQRZOYROU-DLBZAZTESA-N 1 2 358.467 1.979 40 0 FDABLO Cn1c2ccc(S(=O)(=O)NCCCn3cc[nH+]c3)cc2sc1=O ZINC000225679771 537557325 /nfs/dbraw/zinc/55/73/25/537557325.db2.gz KFVPQFUKTZKZJR-UHFFFAOYSA-N 1 2 352.441 1.165 40 0 FDABLO Cc1ncoc1C(=O)N1Cc2[nH+]cn(C)c2C[C@H]1COc1ncccn1 ZINC000585094954 551568230 /nfs/dbraw/zinc/56/82/30/551568230.db2.gz WOBIGJDNFOTQGT-LBPRGKRZSA-N 1 2 354.370 1.153 40 0 FDABLO Cc1cncc(OC[C@H]2Cc3c([nH+]cn3C)CN2Cc2ccccn2)n1 ZINC000585094992 551568345 /nfs/dbraw/zinc/56/83/45/551568345.db2.gz YOCHGLJMQVCTLB-MRXNPFEDSA-N 1 2 350.426 1.919 40 0 FDABLO CCS(=O)(=O)NCC[C@@H]1Cn2cccc2C[N@H+](Cc2cc(C)on2)C1 ZINC000585095402 551568809 /nfs/dbraw/zinc/56/88/09/551568809.db2.gz PVDIZKUDNAXTIA-HNNXBMFYSA-N 1 2 366.487 1.746 40 0 FDABLO CCS(=O)(=O)NCC[C@@H]1Cn2cccc2C[N@@H+](Cc2cc(C)on2)C1 ZINC000585095402 551568811 /nfs/dbraw/zinc/56/88/11/551568811.db2.gz PVDIZKUDNAXTIA-HNNXBMFYSA-N 1 2 366.487 1.746 40 0 FDABLO CCS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccc(F)cc3)C2)OC1 ZINC000585105536 551572676 /nfs/dbraw/zinc/57/26/76/551572676.db2.gz ZAZSTNDDRQYKKV-HNNXBMFYSA-N 1 2 356.463 1.746 40 0 FDABLO COc1cccc(F)c1C[N@@H+]1CCOC[C@](CC(=O)N(C)C)(OC)C1 ZINC000585280099 551578379 /nfs/dbraw/zinc/57/83/79/551578379.db2.gz AHZHKZBASWVNIC-GOSISDBHSA-N 1 2 354.422 1.530 40 0 FDABLO COc1cccc(F)c1C[N@H+]1CCOC[C@](CC(=O)N(C)C)(OC)C1 ZINC000585280099 551578381 /nfs/dbraw/zinc/57/83/81/551578381.db2.gz AHZHKZBASWVNIC-GOSISDBHSA-N 1 2 354.422 1.530 40 0 FDABLO CC1(C)CN(S(C)(=O)=O)C[C@@H]2C[N@H+](Cc3ccc(F)cc3)CCN21 ZINC000253401496 560040351 /nfs/dbraw/zinc/04/03/51/560040351.db2.gz NBEUPOJAIOMIFK-INIZCTEOSA-N 1 2 355.479 1.366 40 0 biogenic,in-vitro FDABLO CC1(C)CN(S(C)(=O)=O)C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCN21 ZINC000253401496 560040352 /nfs/dbraw/zinc/04/03/52/560040352.db2.gz NBEUPOJAIOMIFK-INIZCTEOSA-N 1 2 355.479 1.366 40 0 biogenic,in-vitro FDABLO COc1ccc(/C=C/C(=O)NCC[NH+]2CCOCC2)c(OC)c1OC ZINC000408578990 570559814 /nfs/dbraw/zinc/55/98/14/570559814.db2.gz XXHVMSLWZSGSIH-FNORWQNLSA-N 1 2 350.415 1.174 40 0 FDABLO CN1CC[NH+](CCNc2cc(-c3ccccn3)nc(NC(C)(C)C)n2)CC1 ZINC000329060305 571128993 /nfs/dbraw/zinc/12/89/93/571128993.db2.gz WLEZRZUHCGYKDF-UHFFFAOYSA-N 1 2 369.517 2.408 40 0 FDABLO CCS(=O)(=O)CC[N@H+]1Cc2cccn2C[C@H](OCc2ccncc2)C1 ZINC000253489994 571136170 /nfs/dbraw/zinc/13/61/70/571136170.db2.gz HBQKDLXGHJAFPX-GOSISDBHSA-N 1 2 363.483 1.719 40 0 FDABLO CCS(=O)(=O)CC[N@@H+]1Cc2cccn2C[C@H](OCc2ccncc2)C1 ZINC000253489994 571136172 /nfs/dbraw/zinc/13/61/72/571136172.db2.gz HBQKDLXGHJAFPX-GOSISDBHSA-N 1 2 363.483 1.719 40 0 FDABLO COc1cc(N2Cc3ccnn3C[C@@H](CNc3cccc[nH+]3)C2)ncn1 ZINC000306123036 571212886 /nfs/dbraw/zinc/21/28/86/571212886.db2.gz ACZKSORLJDTKGW-AWEZNQCLSA-N 1 2 351.414 1.825 40 0 FDABLO C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 ZINC000257367410 571217925 /nfs/dbraw/zinc/21/79/25/571217925.db2.gz LKMOLOHEROWXEQ-JOMPHRNESA-N 1 2 355.482 1.895 40 0 FDABLO C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 ZINC000257367410 571217928 /nfs/dbraw/zinc/21/79/28/571217928.db2.gz LKMOLOHEROWXEQ-JOMPHRNESA-N 1 2 355.482 1.895 40 0 FDABLO CC[C@H](C)Nc1nc(NCC[NH+]2CCN(C)CC2)cc(-c2ccccn2)n1 ZINC000328963784 529702269 /nfs/dbraw/zinc/70/22/69/529702269.db2.gz BRFHAVIPVWYOAA-INIZCTEOSA-N 1 2 369.517 1.252 40 0 FDABLO Cc1ccnc([C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CCO2)n1 ZINC000257324075 223065183 /nfs/dbraw/zinc/06/51/83/223065183.db2.gz WNARYYWOMRJSAV-OAHLLOKOSA-N 1 2 350.382 1.579 40 0 FDABLO O=C(c1cscn1)N1Cc2c[nH+]cn2[C@@H](COCC2CCOCC2)C1 ZINC000306132746 223109901 /nfs/dbraw/zinc/10/99/01/223109901.db2.gz LQWHJOSEBVUZDD-OAHLLOKOSA-N 1 2 362.455 1.980 40 0 FDABLO Nc1nc(N)c2c([nH+]1)NC(=O)C[C@@H]2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013569878 220074912 /nfs/dbraw/zinc/07/49/12/220074912.db2.gz WRAUBVMZZKXHBV-QMMMGPOBSA-N 1 2 366.303 1.724 40 0 FDABLO O=C1Oc2nc3cc4c(cc3cc2CN1CC[NH+]1CCOCC1)OCO4 ZINC000019292530 220246687 /nfs/dbraw/zinc/24/66/87/220246687.db2.gz KAHRDKXNHIKLLC-UHFFFAOYSA-N 1 2 357.366 1.610 40 0 FDABLO Cn1cc(C(=O)N2CC[NH+](CCOc3ccc(F)cc3)CC2)ccc1=O ZINC000019290506 220247281 /nfs/dbraw/zinc/24/72/81/220247281.db2.gz WFFDOHRIAMBNFW-UHFFFAOYSA-N 1 2 359.401 1.361 40 0 FDABLO COc1cccc(C(=O)N2CCc3nnc([C@@H]4CCC[N@@H+]4C)n3CC2)c1 ZINC000019706465 220287885 /nfs/dbraw/zinc/28/78/85/220287885.db2.gz ZDEWZWFTUIVVCP-INIZCTEOSA-N 1 2 355.442 1.752 40 0 FDABLO COc1cccc(C(=O)N2CCc3nnc([C@@H]4CCC[N@H+]4C)n3CC2)c1 ZINC000019706465 220287888 /nfs/dbraw/zinc/28/78/88/220287888.db2.gz ZDEWZWFTUIVVCP-INIZCTEOSA-N 1 2 355.442 1.752 40 0 FDABLO CNc1ncc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)cn1 ZINC000019718561 220290102 /nfs/dbraw/zinc/29/01/02/220290102.db2.gz OBJFIJGVGKRWFC-KRWDZBQOSA-N 1 2 355.442 1.630 40 0 FDABLO CCOc1cccc2sc(NC(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)nc21 ZINC000019716573 220290254 /nfs/dbraw/zinc/29/02/54/220290254.db2.gz GAEVOLIUMSMAFV-LLVKDONJSA-N 1 2 362.455 1.831 40 0 FDABLO CCOc1cccc2sc(NC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)nc21 ZINC000019716573 220290257 /nfs/dbraw/zinc/29/02/57/220290257.db2.gz GAEVOLIUMSMAFV-LLVKDONJSA-N 1 2 362.455 1.831 40 0 FDABLO Cc1cc(C)n(CC(=O)N(C)C[C@@]2(O)CCCN(c3cccc[nH+]3)C2)n1 ZINC000257216646 132295003 /nfs/dbraw/zinc/29/50/03/132295003.db2.gz CVMXJYQGDJTUEL-IBGZPJMESA-N 1 2 357.458 1.385 40 0 FDABLO O=C(c1ccccn1)N1CCC2(CC1)C[N@H+](Cc1ccccn1)CCO2 ZINC000096048965 222000343 /nfs/dbraw/zinc/00/03/43/222000343.db2.gz HXGNRZBAQRRJKE-UHFFFAOYSA-N 1 2 352.438 1.984 40 0 FDABLO O=C(c1ccccn1)N1CCC2(CC1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000096048965 222000345 /nfs/dbraw/zinc/00/03/45/222000345.db2.gz HXGNRZBAQRRJKE-UHFFFAOYSA-N 1 2 352.438 1.984 40 0 FDABLO Cn1cc(C[N@H+]2Cc3nccn3C[C@@H](COCc3ccccn3)C2)cn1 ZINC000096059162 222006407 /nfs/dbraw/zinc/00/64/07/222006407.db2.gz VOOLMSBANTWXCJ-KRWDZBQOSA-N 1 2 352.442 1.860 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3nccn3C[C@@H](COCc3ccccn3)C2)cn1 ZINC000096059162 222006414 /nfs/dbraw/zinc/00/64/14/222006414.db2.gz VOOLMSBANTWXCJ-KRWDZBQOSA-N 1 2 352.442 1.860 40 0 FDABLO Cn1ccnc1C[NH+]1CCC2(CC1)CN(C(=O)c1cccnc1)CCO2 ZINC000096158940 222057618 /nfs/dbraw/zinc/05/76/18/222057618.db2.gz FVFWEGVTWKLAIG-UHFFFAOYSA-N 1 2 355.442 1.322 40 0 FDABLO O=C(c1cnccn1)N1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096158802 222057647 /nfs/dbraw/zinc/05/76/47/222057647.db2.gz LHPGGIRSOYEWCW-UHFFFAOYSA-N 1 2 353.426 1.379 40 0 FDABLO O=C(c1cnccn1)N1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096158802 222057651 /nfs/dbraw/zinc/05/76/51/222057651.db2.gz LHPGGIRSOYEWCW-UHFFFAOYSA-N 1 2 353.426 1.379 40 0 FDABLO Cc1ccnc(OC[C@H]2Cn3c[nH+]cc3CN(C(=O)C3CC=CC3)C2)n1 ZINC000096217460 222082280 /nfs/dbraw/zinc/08/22/80/222082280.db2.gz OKMVQGDJDJCCKH-OAHLLOKOSA-N 1 2 353.426 1.985 40 0 FDABLO Cc1noc2ncc(S(=O)(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc12 ZINC000329892740 259116107 /nfs/dbraw/zinc/11/61/07/259116107.db2.gz JDSAKGNBVGMXEF-ABAIWWIYSA-N 1 2 361.427 2.000 40 0 FDABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1ccc2c(c1)OCO2 ZINC000012114396 518587363 /nfs/dbraw/zinc/58/73/63/518587363.db2.gz YFBJTNUHHIEEMD-UHFFFAOYSA-N 1 2 355.394 1.732 40 0 FDABLO C[C@H]1CCc2c(sc3ncn(C4CC[NH+](CC(N)=O)CC4)c(=O)c32)C1 ZINC000012145470 518592756 /nfs/dbraw/zinc/59/27/56/518592756.db2.gz AWCCVHZDXFTGPL-NSHDSACASA-N 1 2 360.483 1.705 40 0 FDABLO O=C(NCCc1nc(-c2cccnc2)n[nH]1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000012338310 518605822 /nfs/dbraw/zinc/60/58/22/518605822.db2.gz OATRTJONHNYRRW-MRXNPFEDSA-N 1 2 354.458 1.932 40 0 FDABLO O=C(NCCc1nc(-c2cccnc2)n[nH]1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000012338310 518605827 /nfs/dbraw/zinc/60/58/27/518605827.db2.gz OATRTJONHNYRRW-MRXNPFEDSA-N 1 2 354.458 1.932 40 0 FDABLO Cc1ncoc1C(=O)NCCc1cc(N2CCOCC2)nc(NC2CC2)[nH+]1 ZINC000019559608 518817933 /nfs/dbraw/zinc/81/79/33/518817933.db2.gz PXKIOOJQIZYDGX-UHFFFAOYSA-N 1 2 372.429 1.156 40 0 FDABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3ccc(C(=O)N(C)C)cn3)C2)no1 ZINC000019767346 518835739 /nfs/dbraw/zinc/83/57/39/518835739.db2.gz HMVBMCRRUDLTHE-OAHLLOKOSA-N 1 2 371.441 1.898 40 0 FDABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc(C(=O)N(C)C)cn3)C2)no1 ZINC000019767346 518835747 /nfs/dbraw/zinc/83/57/47/518835747.db2.gz HMVBMCRRUDLTHE-OAHLLOKOSA-N 1 2 371.441 1.898 40 0 FDABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3ccc(C(=O)N(C)C)cn3)C2)no1 ZINC000019767348 518836196 /nfs/dbraw/zinc/83/61/96/518836196.db2.gz HMVBMCRRUDLTHE-HNNXBMFYSA-N 1 2 371.441 1.898 40 0 FDABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3ccc(C(=O)N(C)C)cn3)C2)no1 ZINC000019767348 518836202 /nfs/dbraw/zinc/83/62/02/518836202.db2.gz HMVBMCRRUDLTHE-HNNXBMFYSA-N 1 2 371.441 1.898 40 0 FDABLO O=C1N(C2CCOCC2)C[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCN12 ZINC000085436232 524356832 /nfs/dbraw/zinc/35/68/32/524356832.db2.gz GKPFQESHBZCXRS-QGZVFWFLSA-N 1 2 373.453 1.559 40 0 biogenic,in-vitro FDABLO O=C1N(C2CCOCC2)C[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCN12 ZINC000085436232 524356839 /nfs/dbraw/zinc/35/68/39/524356839.db2.gz GKPFQESHBZCXRS-QGZVFWFLSA-N 1 2 373.453 1.559 40 0 biogenic,in-vitro FDABLO Cc1c(C[N@@H+]2CCO[C@@H](C(=O)N3CCc4ccccc4C3)C2)cnn1C ZINC000019745616 525706547 /nfs/dbraw/zinc/70/65/47/525706547.db2.gz HCJPLRDSYASXSV-LJQANCHMSA-N 1 2 354.454 1.514 40 0 FDABLO Cc1c(C[N@H+]2CCO[C@@H](C(=O)N3CCc4ccccc4C3)C2)cnn1C ZINC000019745616 525706562 /nfs/dbraw/zinc/70/65/62/525706562.db2.gz HCJPLRDSYASXSV-LJQANCHMSA-N 1 2 354.454 1.514 40 0 FDABLO CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1C[N@H+](Cc1c[nH]cn1)CC[C@H]2O ZINC000257231034 526682020 /nfs/dbraw/zinc/68/20/20/526682020.db2.gz GEYBKLNZYHQGCE-NMLBUPMWSA-N 1 2 354.454 1.607 40 0 FDABLO CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1C[N@@H+](Cc1c[nH]cn1)CC[C@H]2O ZINC000257231034 526682021 /nfs/dbraw/zinc/68/20/21/526682021.db2.gz GEYBKLNZYHQGCE-NMLBUPMWSA-N 1 2 354.454 1.607 40 0 FDABLO CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1C[N@H+](Cc1cnc[nH]1)CC[C@H]2O ZINC000257231034 526682022 /nfs/dbraw/zinc/68/20/22/526682022.db2.gz GEYBKLNZYHQGCE-NMLBUPMWSA-N 1 2 354.454 1.607 40 0 FDABLO CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1C[N@@H+](Cc1cnc[nH]1)CC[C@H]2O ZINC000257231034 526682027 /nfs/dbraw/zinc/68/20/27/526682027.db2.gz GEYBKLNZYHQGCE-NMLBUPMWSA-N 1 2 354.454 1.607 40 0 FDABLO CC(C)C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCOCC1 ZINC000257274725 527523250 /nfs/dbraw/zinc/52/32/50/527523250.db2.gz NMJKLBSSWYOMAE-BDXSIMOUSA-N 1 2 366.433 1.179 40 0 FDABLO CC[N@H+](Cc1ccc(C(=O)[O-])cc1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257276310 528777343 /nfs/dbraw/zinc/77/73/43/528777343.db2.gz NTDUQWOWEDUOHQ-GOSISDBHSA-N 1 2 357.414 1.555 40 0 FDABLO CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257276310 528777346 /nfs/dbraw/zinc/77/73/46/528777346.db2.gz NTDUQWOWEDUOHQ-GOSISDBHSA-N 1 2 357.414 1.555 40 0 FDABLO CC[N@H+](Cc1ccccc1C(=O)[O-])C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257310773 528832658 /nfs/dbraw/zinc/83/26/58/528832658.db2.gz UGMZHDPJYYAZJO-GOSISDBHSA-N 1 2 357.414 1.555 40 0 FDABLO CC[N@@H+](Cc1ccccc1C(=O)[O-])C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257310773 528832661 /nfs/dbraw/zinc/83/26/61/528832661.db2.gz UGMZHDPJYYAZJO-GOSISDBHSA-N 1 2 357.414 1.555 40 0 FDABLO CS(=O)(=O)NCC[C@@H]1CN(C(=O)Cc2cccs2)Cc2c[nH+]cn21 ZINC000247551686 537132883 /nfs/dbraw/zinc/13/28/83/537132883.db2.gz WBFRPTVNWRKMPI-GFCCVEGCSA-N 1 2 368.484 1.010 40 0 FDABLO COc1ccccc1C[N@H+]1Cc2ccnn2[C@H](COCC(=O)N(C)C)C1 ZINC000247991464 537162229 /nfs/dbraw/zinc/16/22/29/537162229.db2.gz LONBGXLSTGLOFV-KRWDZBQOSA-N 1 2 358.442 1.553 40 0 FDABLO COc1ccccc1C[N@@H+]1Cc2ccnn2[C@H](COCC(=O)N(C)C)C1 ZINC000247991464 537162232 /nfs/dbraw/zinc/16/22/32/537162232.db2.gz LONBGXLSTGLOFV-KRWDZBQOSA-N 1 2 358.442 1.553 40 0 FDABLO CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222905599 537514632 /nfs/dbraw/zinc/51/46/32/537514632.db2.gz IICCGYKNFNUBHL-HNNXBMFYSA-N 1 2 365.449 1.401 40 0 FDABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(Cl)cc(N2CCCC2)n1 ZINC000225905812 537564273 /nfs/dbraw/zinc/56/42/73/537564273.db2.gz FRPMQBODMGMACM-UHFFFAOYSA-N 1 2 370.910 1.349 40 0 FDABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1nn(C)c2ccccc21 ZINC000585094850 551568495 /nfs/dbraw/zinc/56/84/95/551568495.db2.gz QDPAGTSZHLQLCG-ZDUSSCGKSA-N 1 2 353.426 1.910 40 0 FDABLO Cn1c[nH+]c2c1C[C@H](COCc1cccnc1)N(C(=O)c1cocn1)C2 ZINC000585094986 551568505 /nfs/dbraw/zinc/56/85/05/551568505.db2.gz YGDLIQPDGSLTCI-CQSZACIVSA-N 1 2 353.382 1.587 40 0 FDABLO Cc1cccc(C(=O)N2Cc3ccnn3CC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000585097419 551569943 /nfs/dbraw/zinc/56/99/43/551569943.db2.gz LMNRQRHQGORTLD-MRXNPFEDSA-N 1 2 355.442 1.333 40 0 FDABLO Cc1cccc(C(=O)N2Cc3ccnn3CC[C@H]2C[NH+]2CCOCC2)n1 ZINC000585097418 551570018 /nfs/dbraw/zinc/57/00/18/551570018.db2.gz LMNRQRHQGORTLD-INIZCTEOSA-N 1 2 355.442 1.333 40 0 FDABLO CN(C)C(=O)[C@@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CC[N@@H+]1C ZINC000585168384 551576091 /nfs/dbraw/zinc/57/60/91/551576091.db2.gz CBTVYJHGFABUSY-SFHVURJKSA-N 1 2 356.470 1.721 40 0 FDABLO CN(C)C(=O)[C@@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CC[N@H+]1C ZINC000585168384 551576093 /nfs/dbraw/zinc/57/60/93/551576093.db2.gz CBTVYJHGFABUSY-SFHVURJKSA-N 1 2 356.470 1.721 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)CCCN(C)c2ccccc2)CC[N@@H+]1C(C)C ZINC000257214835 529926754 /nfs/dbraw/zinc/92/67/54/529926754.db2.gz CNPHCCZWUPDTQS-GOSISDBHSA-N 1 2 360.502 1.570 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)CCCN(C)c2ccccc2)CC[N@H+]1C(C)C ZINC000257214835 529926756 /nfs/dbraw/zinc/92/67/56/529926756.db2.gz CNPHCCZWUPDTQS-GOSISDBHSA-N 1 2 360.502 1.570 40 0 FDABLO CN(C)c1cc(N2CC3(C2)C[C@H](OCc2ccncc2)CCO3)nc[nH+]1 ZINC000248137363 222964603 /nfs/dbraw/zinc/96/46/03/222964603.db2.gz RZKSAZFHLPGZIC-MRXNPFEDSA-N 1 2 355.442 1.892 40 0 FDABLO CN(C)c1cc(N2CC3(C2)C[C@H](OCc2ccncc2)CCO3)[nH+]cn1 ZINC000248137363 222964604 /nfs/dbraw/zinc/96/46/04/222964604.db2.gz RZKSAZFHLPGZIC-MRXNPFEDSA-N 1 2 355.442 1.892 40 0 FDABLO Cc1cc(CC[C@H]2C[N@H+](Cc3cccc(OCCO)c3)CCO2)ncn1 ZINC000257201886 223016898 /nfs/dbraw/zinc/01/68/98/223016898.db2.gz AJMYRSPQWHQAOL-FQEVSTJZSA-N 1 2 357.454 1.990 40 0 FDABLO Cc1cc(CC[C@H]2C[N@@H+](Cc3cccc(OCCO)c3)CCO2)ncn1 ZINC000257201886 223016901 /nfs/dbraw/zinc/01/69/01/223016901.db2.gz AJMYRSPQWHQAOL-FQEVSTJZSA-N 1 2 357.454 1.990 40 0 FDABLO c1cnc(CC[C@@H]2COCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)cn1 ZINC000257304962 223058800 /nfs/dbraw/zinc/05/88/00/223058800.db2.gz SNXDFDVHSXTEAW-GOSISDBHSA-N 1 2 354.458 1.700 40 0 FDABLO c1cnc(CC[C@@H]2COCC[N@H+]2Cc2ccnc(N3CCCC3)n2)cn1 ZINC000257304962 223058803 /nfs/dbraw/zinc/05/88/03/223058803.db2.gz SNXDFDVHSXTEAW-GOSISDBHSA-N 1 2 354.458 1.700 40 0 FDABLO CCS(=O)(=O)NC[C@@H]1CN(Cc2csc(C)n2)Cc2c[nH+]cn21 ZINC000306125455 223107167 /nfs/dbraw/zinc/10/71/67/223107167.db2.gz CRONCVRTYXXTQQ-CQSZACIVSA-N 1 2 355.489 1.144 40 0 FDABLO c1cnc(-c2cnc(NCC[NH+]3CCOCC3)nc2[C@H]2CCCO2)cn1 ZINC000019403792 220255058 /nfs/dbraw/zinc/25/50/58/220255058.db2.gz WVSYAVPYLUOIDE-MRXNPFEDSA-N 1 2 356.430 1.529 40 0 FDABLO COc1ccc2c(cc(C(=O)NC[C@@H](C)[NH+]3CCOCC3)n2C)c1OC ZINC000019456489 220258163 /nfs/dbraw/zinc/25/81/63/220258163.db2.gz PIDNHPGJKYBJSR-CYBMUJFWSA-N 1 2 361.442 1.646 40 0 FDABLO Cc1noc(C)c1CC(=O)N1CCc2nnc([C@@H]3CCCC[N@H+]3C)n2CC1 ZINC000019706147 220285193 /nfs/dbraw/zinc/28/51/93/220285193.db2.gz IQBMBIVTTNRVSJ-INIZCTEOSA-N 1 2 372.473 1.667 40 0 FDABLO Cc1noc(C)c1CC(=O)N1CCc2nnc([C@@H]3CCCC[N@@H+]3C)n2CC1 ZINC000019706147 220285195 /nfs/dbraw/zinc/28/51/95/220285195.db2.gz IQBMBIVTTNRVSJ-INIZCTEOSA-N 1 2 372.473 1.667 40 0 FDABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@H](C(=O)Nc1ccc(F)cc1)CC(=O)N2 ZINC000019819975 220299627 /nfs/dbraw/zinc/29/96/27/220299627.db2.gz YIRBTFBBEBMWTN-GFCCVEGCSA-N 1 2 370.388 1.863 40 0 FDABLO CC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000057669787 221091829 /nfs/dbraw/zinc/09/18/29/221091829.db2.gz FZHYNYOZDRKSDL-OAHLLOKOSA-N 1 2 360.437 1.854 40 0 FDABLO CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CC[N@H+](Cc1nccs1)C2 ZINC000096050138 132217436 /nfs/dbraw/zinc/21/74/36/132217436.db2.gz PLHHVXDHKHKBPC-LJQANCHMSA-N 1 2 370.478 1.983 40 0 FDABLO CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CC[N@@H+](Cc1nccs1)C2 ZINC000096050138 132217438 /nfs/dbraw/zinc/21/74/38/132217438.db2.gz PLHHVXDHKHKBPC-LJQANCHMSA-N 1 2 370.478 1.983 40 0 FDABLO Cc1ccc(C[N@@H+]2CCOC[C@]3(CN(c4cccnc4)C(=O)CO3)C2)o1 ZINC000096051338 132217942 /nfs/dbraw/zinc/21/79/42/132217942.db2.gz PZITWXIZGLZNGG-LJQANCHMSA-N 1 2 357.410 1.617 40 0 FDABLO Cc1ccc(C[N@H+]2CCOC[C@]3(CN(c4cccnc4)C(=O)CO3)C2)o1 ZINC000096051338 132217943 /nfs/dbraw/zinc/21/79/43/132217943.db2.gz PZITWXIZGLZNGG-LJQANCHMSA-N 1 2 357.410 1.617 40 0 FDABLO Cc1n[nH]c(C)c1CC(=O)N(C)C[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257258576 132295921 /nfs/dbraw/zinc/29/59/21/132295921.db2.gz KUQDOYURULKWRU-IBGZPJMESA-N 1 2 357.458 1.454 40 0 FDABLO Cc1cc(N2CCC[C@](O)(CNC(=O)Cc3ccccc3F)C2)nc[nH+]1 ZINC000257269606 132295970 /nfs/dbraw/zinc/29/59/70/132295970.db2.gz MQQUQUNYMNDMJV-IBGZPJMESA-N 1 2 358.417 1.614 40 0 FDABLO Oc1ccc(N2CC[NH+](Cc3ccnc(N4CCOCC4)n3)CC2)cc1 ZINC000072348171 136144803 /nfs/dbraw/zinc/14/48/03/136144803.db2.gz BBEUOZJUJIXVHR-UHFFFAOYSA-N 1 2 355.442 1.341 40 0 FDABLO Cc1nc(CN2CCOC[C@@]3(C[N@H+](Cc4ccncc4)CCO3)C2)cs1 ZINC000096049828 222001223 /nfs/dbraw/zinc/00/12/23/222001223.db2.gz LNDHIEMHHKXTLR-LJQANCHMSA-N 1 2 374.510 1.950 40 0 FDABLO Cc1nc(CN2CCOC[C@@]3(C[N@@H+](Cc4ccncc4)CCO3)C2)cs1 ZINC000096049828 222001228 /nfs/dbraw/zinc/00/12/28/222001228.db2.gz LNDHIEMHHKXTLR-LJQANCHMSA-N 1 2 374.510 1.950 40 0 FDABLO COc1ccc([C@H]2[NH+]=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000104279715 222354629 /nfs/dbraw/zinc/35/46/29/222354629.db2.gz XQQABXVZVPSCQV-INIZCTEOSA-N 1 2 355.398 1.221 40 0 FDABLO COC(=O)c1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](C)CO)n2)cc1OC ZINC000329027687 534191520 /nfs/dbraw/zinc/19/15/20/534191520.db2.gz PSSGPNMUKLMYSD-NSHDSACASA-N 1 2 372.425 1.529 40 0 FDABLO OCCCNc1nc(NCc2ccc(F)cc2)cc(-c2cccnc2)[nH+]1 ZINC000328972123 534363097 /nfs/dbraw/zinc/36/30/97/534363097.db2.gz DTIUQJVEOZSPOO-UHFFFAOYSA-N 1 2 353.401 1.928 40 0 FDABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2=O)C1 ZINC000014607421 518694548 /nfs/dbraw/zinc/69/45/48/518694548.db2.gz DGGODKVUHYOOCK-GOEBONIOSA-N 1 2 374.437 1.911 40 0 FDABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2=O)C1 ZINC000014607421 518694553 /nfs/dbraw/zinc/69/45/53/518694553.db2.gz DGGODKVUHYOOCK-GOEBONIOSA-N 1 2 374.437 1.911 40 0 FDABLO Cc1noc2nc(C)cc(C(=O)N[C@@H]3CCC[C@@H](n4cc[nH+]c4)[C@@H]3O)c12 ZINC000257213156 534484177 /nfs/dbraw/zinc/48/41/77/534484177.db2.gz CGJSWTFVGLXQOJ-IIAWOOMASA-N 1 2 355.398 1.921 40 0 FDABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000245230810 521304122 /nfs/dbraw/zinc/30/41/22/521304122.db2.gz ZHTHIOFSQYRLSB-NPSOMJIGSA-N 1 2 364.829 1.927 40 0 FDABLO O=c1[nH]c2ccc(S(=O)(=O)N3CCCN(c4cccc[nH+]4)CC3)cc2o1 ZINC000072392144 522230630 /nfs/dbraw/zinc/23/06/30/522230630.db2.gz ZZPPVEBTXWDWRI-UHFFFAOYSA-N 1 2 374.422 1.417 40 0 FDABLO Cc1[nH+]cc(-c2cncc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)n1C ZINC000257274012 534722505 /nfs/dbraw/zinc/72/25/05/534722505.db2.gz NJELGNDLEZEOEF-ZDUSSCGKSA-N 1 2 364.475 1.171 40 0 FDABLO CCOc1cc([C@@H]([NH3+])c2nnc(CCN3CCOCC3)[nH]2)ccc1OC ZINC000095534413 525107405 /nfs/dbraw/zinc/10/74/05/525107405.db2.gz NQWPZHMNXGCNIA-QGZVFWFLSA-N 1 2 361.446 1.135 40 0 FDABLO CCOc1ccc([C@@H]([NH3+])c2nnc(CCN3CCOCC3)[nH]2)cc1OC ZINC000095534269 525107533 /nfs/dbraw/zinc/10/75/33/525107533.db2.gz RMLPPSZHRGCYOO-QGZVFWFLSA-N 1 2 361.446 1.135 40 0 FDABLO CCC(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(CCOC)C2=O)C1 ZINC000306129210 528391554 /nfs/dbraw/zinc/39/15/54/528391554.db2.gz HXMFDLDLZWBPHM-KXBFYZLASA-N 1 2 362.474 1.665 40 0 FDABLO CC(C)n1cc(C[N@H+]2Cc3ccnn3[C@H](COCC(=O)N(C)C)C2)cn1 ZINC000306128262 528564542 /nfs/dbraw/zinc/56/45/42/528564542.db2.gz GVQKEIDDAXNXBQ-KRWDZBQOSA-N 1 2 360.462 1.322 40 0 FDABLO CC(C)n1cc(C[N@@H+]2Cc3ccnn3[C@H](COCC(=O)N(C)C)C2)cn1 ZINC000306128262 528564547 /nfs/dbraw/zinc/56/45/47/528564547.db2.gz GVQKEIDDAXNXBQ-KRWDZBQOSA-N 1 2 360.462 1.322 40 0 FDABLO CCCS(=O)(=O)N1CCC[C@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257255841 528810414 /nfs/dbraw/zinc/81/04/14/528810414.db2.gz KJBJLPGABGSQQM-KRWDZBQOSA-N 1 2 353.488 1.791 40 0 FDABLO O=C(NC1CCC1)[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21 ZINC000247735196 537147126 /nfs/dbraw/zinc/14/71/26/537147126.db2.gz KKZMOMVCCWJNNR-INIZCTEOSA-N 1 2 354.410 1.837 40 0 FDABLO COC[C@@H]1CN(S(C)(=O)=O)CC12CC[NH+](Cc1nccs1)CC2 ZINC000247833676 537153221 /nfs/dbraw/zinc/15/32/21/537153221.db2.gz IHZLZYPUSXGUPV-ZDUSSCGKSA-N 1 2 359.517 1.263 40 0 FDABLO COc1cc2c(cc1S(=O)(=O)NCCC[NH+]1CCOCC1)CCCC2 ZINC000224847529 537542326 /nfs/dbraw/zinc/54/23/26/537542326.db2.gz SCUGTKVOMZUINI-UHFFFAOYSA-N 1 2 368.499 1.575 40 0 FDABLO CC(C)(C)OC(=O)N1C[C@H]2CN(c3ccc(-n4cc[nH+]c4)nn3)C[C@H]2C1 ZINC000409431152 537850492 /nfs/dbraw/zinc/85/04/92/537850492.db2.gz YSVXKDUYSNAJTA-OKILXGFUSA-N 1 2 356.430 1.965 40 0 FDABLO Cc1occc1C(=O)N1Cc2[nH+]cn(C)c2C[C@@H]1CNc1ncccn1 ZINC000585094771 551568189 /nfs/dbraw/zinc/56/81/89/551568189.db2.gz LWZAKYIHKJOOEV-CYBMUJFWSA-N 1 2 352.398 1.791 40 0 FDABLO Cc1cc(C(=O)N2Cc3[nH+]cn(C)c3C[C@@H]2COc2ccccn2)no1 ZINC000585094633 551568490 /nfs/dbraw/zinc/56/84/90/551568490.db2.gz GIVIZOITCGXMEF-CYBMUJFWSA-N 1 2 353.382 1.758 40 0 FDABLO Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@H](C(=O)N3CCCCO3)C2)c1 ZINC000585096136 551568831 /nfs/dbraw/zinc/56/88/31/551568831.db2.gz UFMMLIDDTNKXTO-KRWDZBQOSA-N 1 2 354.410 1.943 40 0 FDABLO O=S(=O)(NCC[C@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21)C1CC1 ZINC000585112025 551574171 /nfs/dbraw/zinc/57/41/71/551574171.db2.gz HGOXGJRDSQXAIJ-KRWDZBQOSA-N 1 2 360.483 1.912 40 0 FDABLO O=S(=O)(NCC[C@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21)C1CC1 ZINC000585112025 551574173 /nfs/dbraw/zinc/57/41/73/551574173.db2.gz HGOXGJRDSQXAIJ-KRWDZBQOSA-N 1 2 360.483 1.912 40 0 FDABLO Cc1noc(C)c1C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnccn1)CO2 ZINC000252006436 571130666 /nfs/dbraw/zinc/13/06/66/571130666.db2.gz OZAYQKLHADJKBG-HNNXBMFYSA-N 1 2 371.441 1.492 40 0 FDABLO CCc1cc(CNC(=O)[C@@]2(C)CCCN(C(=O)CCn3cc[nH+]c3)C2)on1 ZINC000257262358 529528574 /nfs/dbraw/zinc/52/85/74/529528574.db2.gz LLCFATWOSGOQOR-IBGZPJMESA-N 1 2 373.457 1.769 40 0 FDABLO CN1C(=O)CCC[C@H]2C[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)CC[C@H]21 ZINC000257215420 530040174 /nfs/dbraw/zinc/04/01/74/530040174.db2.gz CQAGCWUGTCVTRL-DOTOQJQBSA-N 1 2 350.484 1.923 40 0 FDABLO CN1C(=O)CCC[C@H]2C[N@H+](Cc3ccc(S(C)(=O)=O)cc3)CC[C@H]21 ZINC000257215420 530040176 /nfs/dbraw/zinc/04/01/76/530040176.db2.gz CQAGCWUGTCVTRL-DOTOQJQBSA-N 1 2 350.484 1.923 40 0 FDABLO O=C(C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000257243730 223034862 /nfs/dbraw/zinc/03/48/62/223034862.db2.gz IIGYOLAYNHWCGO-HKUYNNGSSA-N 1 2 362.426 1.402 40 0 FDABLO O=C(C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000257243730 223034865 /nfs/dbraw/zinc/03/48/65/223034865.db2.gz IIGYOLAYNHWCGO-HKUYNNGSSA-N 1 2 362.426 1.402 40 0 FDABLO c1cc(CC[C@H]2C[N@H+](Cc3ccnc(N4CCCC4)n3)CCO2)ncn1 ZINC000257258331 223039920 /nfs/dbraw/zinc/03/99/20/223039920.db2.gz KTJIBRDRXPWHHW-SFHVURJKSA-N 1 2 354.458 1.700 40 0 FDABLO c1cc(CC[C@H]2C[N@@H+](Cc3ccnc(N4CCCC4)n3)CCO2)ncn1 ZINC000257258331 223039922 /nfs/dbraw/zinc/03/99/22/223039922.db2.gz KTJIBRDRXPWHHW-SFHVURJKSA-N 1 2 354.458 1.700 40 0 FDABLO O=c1cc(CC[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)nc[nH]1 ZINC000257304375 223059360 /nfs/dbraw/zinc/05/93/60/223059360.db2.gz SLISKHBWUMKXKZ-INIZCTEOSA-N 1 2 357.410 1.787 40 0 FDABLO O=c1cc(CC[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)nc[nH]1 ZINC000257304375 223059363 /nfs/dbraw/zinc/05/93/63/223059363.db2.gz SLISKHBWUMKXKZ-INIZCTEOSA-N 1 2 357.410 1.787 40 0 FDABLO COC(C)(C)C(=O)N1CCO[C@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000257307778 223060408 /nfs/dbraw/zinc/06/04/08/223060408.db2.gz TUBYHTOMQXFXGQ-AWEZNQCLSA-N 1 2 357.414 1.446 40 0 FDABLO Cc1cccc(COC[C@@H]2CN(C(=O)c3ccn(C)n3)Cc3c[nH+]cn32)n1 ZINC000306136209 223111829 /nfs/dbraw/zinc/11/18/29/223111829.db2.gz PMUAMGOSZNEBPP-KRWDZBQOSA-N 1 2 366.425 1.734 40 0 FDABLO COc1ccccc1CNc1cc(-c2ccncc2)[nH+]c(N[C@H](C)CO)n1 ZINC000329069964 223132552 /nfs/dbraw/zinc/13/25/52/223132552.db2.gz ZBWDLYRIHDDJJR-CQSZACIVSA-N 1 2 365.437 1.796 40 0 FDABLO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000013581447 220075717 /nfs/dbraw/zinc/07/57/17/220075717.db2.gz HHDYYXRJLPZAHV-UHFFFAOYSA-N 1 2 369.487 1.113 40 0 FDABLO CCOC(=O)[C@]1(CC)[NH2+][C@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000019500749 220263402 /nfs/dbraw/zinc/26/34/02/220263402.db2.gz OWDXQNUTULMXQF-NRTGNBEESA-N 1 2 360.410 1.370 40 0 FDABLO COCC(=O)NCC[C@@H]1Cn2nccc2C[N@H+](Cc2c(C)noc2C)C1 ZINC000306145003 533063467 /nfs/dbraw/zinc/06/34/67/533063467.db2.gz ZUNJXQBBSPBCHW-HNNXBMFYSA-N 1 2 361.446 1.273 40 0 FDABLO COCC(=O)NCC[C@@H]1Cn2nccc2C[N@@H+](Cc2c(C)noc2C)C1 ZINC000306145003 533063471 /nfs/dbraw/zinc/06/34/71/533063471.db2.gz ZUNJXQBBSPBCHW-HNNXBMFYSA-N 1 2 361.446 1.273 40 0 FDABLO Cn1cc(S(=O)(=O)N[C@H](CC[NH+]2CCOCC2)c2ccccc2)cn1 ZINC000019716043 220290659 /nfs/dbraw/zinc/29/06/59/220290659.db2.gz JIEZLTACKSHOGH-QGZVFWFLSA-N 1 2 364.471 1.162 40 0 FDABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3OCC)C2=O)CC1 ZINC000020798712 220341698 /nfs/dbraw/zinc/34/16/98/220341698.db2.gz FPUVLEPNXHDLKE-MRXNPFEDSA-N 1 2 374.437 1.992 40 0 FDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CN(C(=O)CC(F)(F)F)CC2 ZINC000096254025 132224343 /nfs/dbraw/zinc/22/43/43/132224343.db2.gz MWPSIZWAANHFQM-UHFFFAOYSA-N 1 2 373.379 1.216 40 0 FDABLO Cc1nc(CN2CCOC[C@]3(C[N@H+](Cc4ccccn4)CCO3)C2)cs1 ZINC000096049823 222001930 /nfs/dbraw/zinc/00/19/30/222001930.db2.gz LLQGPHFZGQPSHP-LJQANCHMSA-N 1 2 374.510 1.950 40 0 FDABLO Cc1nc(CN2CCOC[C@]3(C[N@@H+](Cc4ccccn4)CCO3)C2)cs1 ZINC000096049823 222001932 /nfs/dbraw/zinc/00/19/32/222001932.db2.gz LLQGPHFZGQPSHP-LJQANCHMSA-N 1 2 374.510 1.950 40 0 FDABLO C[N@@H+](Cc1cn2c(n1)CN(C(=O)C1CCOCC1)CC2)Cc1ccco1 ZINC000096059540 222007368 /nfs/dbraw/zinc/00/73/68/222007368.db2.gz YFXLRLMELJXZJW-UHFFFAOYSA-N 1 2 358.442 1.877 40 0 FDABLO C[N@H+](Cc1cn2c(n1)CN(C(=O)C1CCOCC1)CC2)Cc1ccco1 ZINC000096059540 222007371 /nfs/dbraw/zinc/00/73/71/222007371.db2.gz YFXLRLMELJXZJW-UHFFFAOYSA-N 1 2 358.442 1.877 40 0 FDABLO CCc1ccc(C[N@@H+]2CCCn3c(=O)cc(Cn4cncn4)nc3C2)o1 ZINC000096068117 222010255 /nfs/dbraw/zinc/01/02/55/222010255.db2.gz HIDGPIWSVLFDEJ-UHFFFAOYSA-N 1 2 354.414 1.444 40 0 FDABLO CCc1ccc(C[N@H+]2CCCn3c(=O)cc(Cn4cncn4)nc3C2)o1 ZINC000096068117 222010258 /nfs/dbraw/zinc/01/02/58/222010258.db2.gz HIDGPIWSVLFDEJ-UHFFFAOYSA-N 1 2 354.414 1.444 40 0 FDABLO COC[C@@H]1CC2(CN1S(C)(=O)=O)CC[NH+](Cc1cc(C)on1)CC2 ZINC000096220782 222084092 /nfs/dbraw/zinc/08/40/92/222084092.db2.gz YKCCVFZYJDHRKL-HNNXBMFYSA-N 1 2 357.476 1.246 40 0 FDABLO CCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000100420694 222243385 /nfs/dbraw/zinc/24/33/85/222243385.db2.gz NQUHMJFFFHSEEE-QCUYGVNKSA-N 1 2 360.410 1.370 40 0 FDABLO O=C1C[C@@H]([NH+]2CCC3(CC2)OCCO3)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000104346089 222355032 /nfs/dbraw/zinc/35/50/32/222355032.db2.gz GVRJPRSERGEGMA-CQSZACIVSA-N 1 2 368.792 1.950 40 0 FDABLO C[C@@H](CO)Nc1nc(NCc2ccc(F)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329028657 534129819 /nfs/dbraw/zinc/12/98/19/534129819.db2.gz PWKHUZXMMSHBML-ZDUSSCGKSA-N 1 2 353.401 1.926 40 0 FDABLO Cc1cc2nc([C@H]3CCCC[N@@H+]3CC(=O)N3CCOCC3)cc(=O)n2[nH]1 ZINC000257342385 534134262 /nfs/dbraw/zinc/13/42/62/534134262.db2.gz ZOIZBEXCICXUTK-OAHLLOKOSA-N 1 2 359.430 1.129 40 0 FDABLO Cc1cc2nc([C@H]3CCCC[N@H+]3CC(=O)N3CCOCC3)cc(=O)n2[nH]1 ZINC000257342385 534134264 /nfs/dbraw/zinc/13/42/64/534134264.db2.gz ZOIZBEXCICXUTK-OAHLLOKOSA-N 1 2 359.430 1.129 40 0 FDABLO O=C(CN1[C@@H]2CC[C@H]1Cc1nnsc12)N1CCN(c2cccc[nH+]2)CC1 ZINC000012235275 518600536 /nfs/dbraw/zinc/60/05/36/518600536.db2.gz XAOFLIPGBSVUJV-DZGCQCFKSA-N 1 2 370.482 1.344 40 0 FDABLO C[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)CC1 ZINC000035313689 519602970 /nfs/dbraw/zinc/60/29/70/519602970.db2.gz HROHQPNANQBXCC-UHFFFAOYSA-N 1 2 363.439 1.146 40 0 FDABLO CC(C)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000044196505 521928691 /nfs/dbraw/zinc/92/86/91/521928691.db2.gz LXXDNOCTLHDRDQ-CQSZACIVSA-N 1 2 353.488 1.397 40 0 FDABLO Cc1nnc(Nc2cc([C@@H]3CCCN3C(=O)C[NH+](C)C)nc(C)n2)s1 ZINC000072360391 522224287 /nfs/dbraw/zinc/22/42/87/522224287.db2.gz JLNWXGCCCMSVKR-ZDUSSCGKSA-N 1 2 361.475 1.914 40 0 FDABLO Cc1cc(Nc2nncs2)nc([C@H]2CCCN(C(=O)C[NH+](C)C)C2)n1 ZINC000072360076 522225292 /nfs/dbraw/zinc/22/52/92/522225292.db2.gz ITNQQONXOCVKBC-LBPRGKRZSA-N 1 2 361.475 1.648 40 0 FDABLO CC(=O)Nc1ccc(Oc2nccnc2[C@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000072361824 522225911 /nfs/dbraw/zinc/22/59/11/522225911.db2.gz YEGYDFCYONEUPE-AWEZNQCLSA-N 1 2 369.425 1.892 40 0 FDABLO CC(=O)Nc1ccc(Oc2nccnc2[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC000072361824 522225917 /nfs/dbraw/zinc/22/59/17/522225917.db2.gz YEGYDFCYONEUPE-AWEZNQCLSA-N 1 2 369.425 1.892 40 0 FDABLO COC(=O)[C@]1(C(C)C)[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000245230099 524006783 /nfs/dbraw/zinc/00/67/83/524006783.db2.gz LPXSMCWEPXOGPJ-UYAYXHRUSA-N 1 2 364.829 1.783 40 0 FDABLO CC(=O)N1CC[N@H+](CCOc2cccc(C(F)(F)F)c2)C[C@@H]1C(N)=O ZINC000257227691 526628749 /nfs/dbraw/zinc/62/87/49/526628749.db2.gz FQMGRQPEMOOATO-CQSZACIVSA-N 1 2 359.348 1.102 40 0 FDABLO CC(=O)N1CC[N@@H+](CCOc2cccc(C(F)(F)F)c2)C[C@@H]1C(N)=O ZINC000257227691 526628752 /nfs/dbraw/zinc/62/87/52/526628752.db2.gz FQMGRQPEMOOATO-CQSZACIVSA-N 1 2 359.348 1.102 40 0 FDABLO CS(=O)(=O)NC[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]12 ZINC000247540750 537131339 /nfs/dbraw/zinc/13/13/39/537131339.db2.gz SBVINXGAWNOJTF-LALPHHSUSA-N 1 2 362.854 1.475 40 0 FDABLO CS(=O)(=O)NC[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]12 ZINC000247540750 537131343 /nfs/dbraw/zinc/13/13/43/537131343.db2.gz SBVINXGAWNOJTF-LALPHHSUSA-N 1 2 362.854 1.475 40 0 FDABLO Cc1cc(C(=O)N2Cc3c[nH+]cn3[C@H](CCNS(C)(=O)=O)C2)c(C)o1 ZINC000247558864 537134595 /nfs/dbraw/zinc/13/45/95/537134595.db2.gz YCNVXHHIJWSVBD-CYBMUJFWSA-N 1 2 366.443 1.229 40 0 FDABLO COCC(=O)NC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000247864880 537154178 /nfs/dbraw/zinc/15/41/78/537154178.db2.gz XDAOFSMICSCWAR-HNNXBMFYSA-N 1 2 362.861 1.931 40 0 FDABLO COCC(=O)NC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000247864880 537154181 /nfs/dbraw/zinc/15/41/81/537154181.db2.gz XDAOFSMICSCWAR-HNNXBMFYSA-N 1 2 362.861 1.931 40 0 FDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1 ZINC000225729567 537558868 /nfs/dbraw/zinc/55/88/68/537558868.db2.gz AKTBBVZYEFJPSO-UHFFFAOYSA-N 1 2 363.483 1.312 40 0 FDABLO CCS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3scnc3C)C2)OC1 ZINC000585103675 551571243 /nfs/dbraw/zinc/57/12/43/551571243.db2.gz CMOOGFHDUOQWHM-ZDUSSCGKSA-N 1 2 359.517 1.372 40 0 FDABLO CCOC[C@H]1CC[N@H+](C)C2(CN(S(=O)(=O)c3cccc(OC)c3)C2)C1 ZINC000585103745 551571602 /nfs/dbraw/zinc/57/16/02/551571602.db2.gz ZSHNIRSUBQXJLE-HNNXBMFYSA-N 1 2 368.499 1.817 40 0 FDABLO CCOC[C@H]1CC[N@@H+](C)C2(CN(S(=O)(=O)c3cccc(OC)c3)C2)C1 ZINC000585103745 551571603 /nfs/dbraw/zinc/57/16/03/551571603.db2.gz ZSHNIRSUBQXJLE-HNNXBMFYSA-N 1 2 368.499 1.817 40 0 FDABLO Cc1noc(CC(=O)N2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)n1 ZINC000585113552 551574930 /nfs/dbraw/zinc/57/49/30/551574930.db2.gz KWWNNUREUDTRTD-GOSISDBHSA-N 1 2 357.414 1.071 40 0 FDABLO Cc1ccccc1C[C@H]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C[C@@H]1O ZINC000585290493 551580031 /nfs/dbraw/zinc/58/00/31/551580031.db2.gz DWIHOKGLUJQDIS-FOPBSNOLSA-N 1 2 358.482 1.635 40 0 FDABLO Cc1cc(N2CC[C@@](O)(CNC(=O)CCOc3ccccc3)C2)nc[nH+]1 ZINC000257209114 223019551 /nfs/dbraw/zinc/01/95/51/223019551.db2.gz BPBDRFJGRZKFFC-LJQANCHMSA-N 1 2 356.426 1.312 40 0 FDABLO Cc1cc(N2CCC[C@@H]2c2ccnc3c(C(=O)N(C)C)cnn32)nc[nH+]1 ZINC000257264993 223042936 /nfs/dbraw/zinc/04/29/36/223042936.db2.gz LWVYJCQQULHZGC-CQSZACIVSA-N 1 2 351.414 1.871 40 0 FDABLO Cc1c(C[N@@H+]2CCC[C@@H](Cc3n[nH]cc3S(C)(=O)=O)C2)cnn1C ZINC000257321217 223064831 /nfs/dbraw/zinc/06/48/31/223064831.db2.gz WAPTZUKYDKFSFC-ZDUSSCGKSA-N 1 2 351.476 1.310 40 0 FDABLO Cc1c(C[N@H+]2CCC[C@@H](Cc3n[nH]cc3S(C)(=O)=O)C2)cnn1C ZINC000257321217 223064833 /nfs/dbraw/zinc/06/48/33/223064833.db2.gz WAPTZUKYDKFSFC-ZDUSSCGKSA-N 1 2 351.476 1.310 40 0 FDABLO COCCNC(=O)Cc1cn2c(n1)[C@@H](C)[N@@H+](Cc1cnn(C(C)C)c1)CC2 ZINC000306143278 223114853 /nfs/dbraw/zinc/11/48/53/223114853.db2.gz XXQLVVVYZVPZIG-OAHLLOKOSA-N 1 2 374.489 1.542 40 0 FDABLO COCCNC(=O)Cc1cn2c(n1)[C@@H](C)[N@H+](Cc1cnn(C(C)C)c1)CC2 ZINC000306143278 223114855 /nfs/dbraw/zinc/11/48/55/223114855.db2.gz XXQLVVVYZVPZIG-OAHLLOKOSA-N 1 2 374.489 1.542 40 0 FDABLO OCCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329071440 223132097 /nfs/dbraw/zinc/13/20/97/223132097.db2.gz ZPVBKAOMAGIBIA-UHFFFAOYSA-N 1 2 357.364 1.677 40 0 FDABLO c1nnn(C23C[C@@H]4C[C@@H](CC(c5[nH]n6cnc7nncc-7c6[nH+]5)(C4)C2)C3)n1 ZINC000017074531 220203967 /nfs/dbraw/zinc/20/39/67/220203967.db2.gz FMXHHMHKRNBJIX-HLASGMPESA-N 1 2 362.401 1.234 40 0 FDABLO COC(=O)C[NH+]1CCC(O)(Cn2c(=O)c3ccccc3nc2C2CC2)CC1 ZINC000019592488 220278023 /nfs/dbraw/zinc/27/80/23/220278023.db2.gz OZCBRLONUSEKGQ-UHFFFAOYSA-N 1 2 371.437 1.274 40 0 FDABLO C[N@H+](CC(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Cc1ccccn1 ZINC000019655284 220281239 /nfs/dbraw/zinc/28/12/39/220281239.db2.gz MEKDIKLQJDJCAQ-MRXNPFEDSA-N 1 2 356.401 1.574 40 0 FDABLO C[N@@H+](CC(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Cc1ccccn1 ZINC000019655284 220281243 /nfs/dbraw/zinc/28/12/43/220281243.db2.gz MEKDIKLQJDJCAQ-MRXNPFEDSA-N 1 2 356.401 1.574 40 0 FDABLO O=C(CN1CCN(C2CCCC2)C(=O)C1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000019657960 220282779 /nfs/dbraw/zinc/28/27/79/220282779.db2.gz BYFHAMBKMYQFLA-UHFFFAOYSA-N 1 2 367.453 1.898 40 0 FDABLO COCc1ccc(C(=O)N2CCc3nnc([C@@H]4CCC[N@@H+]4C)n3CC2)cc1 ZINC000019706334 220285826 /nfs/dbraw/zinc/28/58/26/220285826.db2.gz SXDGTDUEWSLQNP-KRWDZBQOSA-N 1 2 369.469 1.890 40 0 FDABLO COCc1ccc(C(=O)N2CCc3nnc([C@@H]4CCC[N@H+]4C)n3CC2)cc1 ZINC000019706334 220285830 /nfs/dbraw/zinc/28/58/30/220285830.db2.gz SXDGTDUEWSLQNP-KRWDZBQOSA-N 1 2 369.469 1.890 40 0 FDABLO O=C(CCOc1cccc(F)c1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000019711271 220288397 /nfs/dbraw/zinc/28/83/97/220288397.db2.gz NAYNNIFECLLYDP-UHFFFAOYSA-N 1 2 373.432 1.696 40 0 FDABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](NC(=O)c3cnc(C)cn3)CC2)no1 ZINC000019749187 220293698 /nfs/dbraw/zinc/29/36/98/220293698.db2.gz QJDRDZATVZCMLE-AWEZNQCLSA-N 1 2 372.429 1.304 40 0 FDABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](NC(=O)c3cnc(C)cn3)CC2)no1 ZINC000019749187 220293701 /nfs/dbraw/zinc/29/37/01/220293701.db2.gz QJDRDZATVZCMLE-AWEZNQCLSA-N 1 2 372.429 1.304 40 0 FDABLO Fc1ccccc1C[NH2+]C1(Cc2cc(CN3CCOCC3)on2)COC1 ZINC000067898383 221303162 /nfs/dbraw/zinc/30/31/62/221303162.db2.gz OLWAGMNJUPBITN-UHFFFAOYSA-N 1 2 361.417 1.747 40 0 biogenic,in-vitro FDABLO COc1ccc(C[N@H+]2Cc3ccnn3[C@H](C(=O)N3CC(F)(F)C3)C2)cc1 ZINC000306140737 533573924 /nfs/dbraw/zinc/57/39/24/533573924.db2.gz VCQSUFDFBWXBMJ-INIZCTEOSA-N 1 2 362.380 1.926 40 0 FDABLO COc1ccc(C[N@@H+]2Cc3ccnn3[C@H](C(=O)N3CC(F)(F)C3)C2)cc1 ZINC000306140737 533573929 /nfs/dbraw/zinc/57/39/29/533573929.db2.gz VCQSUFDFBWXBMJ-INIZCTEOSA-N 1 2 362.380 1.926 40 0 FDABLO C[N@@H+]1CCN(Cc2cccnc2)C(=O)C12CCN(c1ncccn1)CC2 ZINC000096230137 132223072 /nfs/dbraw/zinc/22/30/72/132223072.db2.gz JLJDAJFOYAYBSA-UHFFFAOYSA-N 1 2 352.442 1.185 40 0 FDABLO C[N@H+]1CCN(Cc2cccnc2)C(=O)C12CCN(c1ncccn1)CC2 ZINC000096230137 132223073 /nfs/dbraw/zinc/22/30/73/132223073.db2.gz JLJDAJFOYAYBSA-UHFFFAOYSA-N 1 2 352.442 1.185 40 0 FDABLO C[NH+]1CCN(C(=O)c2n[nH]c3c2CCN(Cc2ccc(F)cc2)C3)CC1 ZINC000096058581 222006644 /nfs/dbraw/zinc/00/66/44/222006644.db2.gz ODUSQLSCXLAZCB-UHFFFAOYSA-N 1 2 357.433 1.495 40 0 FDABLO COc1ccc(CN2CCc3c([nH]nc3C(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000096058582 222006972 /nfs/dbraw/zinc/00/69/72/222006972.db2.gz RSDKFYPQAPGXQU-UHFFFAOYSA-N 1 2 369.469 1.364 40 0 FDABLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2nccs2)[C@H]1Cc1ccncc1 ZINC000096061741 222008627 /nfs/dbraw/zinc/00/86/27/222008627.db2.gz YFTQZQXFKZRRFC-KGLIPLIRSA-N 1 2 352.485 1.273 40 0 FDABLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2nccs2)[C@H]1Cc1ccncc1 ZINC000096061741 222008629 /nfs/dbraw/zinc/00/86/29/222008629.db2.gz YFTQZQXFKZRRFC-KGLIPLIRSA-N 1 2 352.485 1.273 40 0 FDABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2cccnc2)CCO3)no1 ZINC000096209535 222080773 /nfs/dbraw/zinc/08/07/73/222080773.db2.gz ZDTNRLLRHIWTFA-QFBILLFUSA-N 1 2 356.426 1.932 40 0 FDABLO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2cccnc2)CCO3)no1 ZINC000096209535 222080775 /nfs/dbraw/zinc/08/07/75/222080775.db2.gz ZDTNRLLRHIWTFA-QFBILLFUSA-N 1 2 356.426 1.932 40 0 FDABLO Cc1nc(C[N@@H+]2CCC[C@@]3(CN(C(=O)NC4CC4)CCO3)C2)cs1 ZINC000096226697 222087972 /nfs/dbraw/zinc/08/79/72/222087972.db2.gz JRVWZDORAMLWCT-KRWDZBQOSA-N 1 2 350.488 1.990 40 0 FDABLO Cc1nc(C[N@H+]2CCC[C@@]3(CN(C(=O)NC4CC4)CCO3)C2)cs1 ZINC000096226697 222087977 /nfs/dbraw/zinc/08/79/77/222087977.db2.gz JRVWZDORAMLWCT-KRWDZBQOSA-N 1 2 350.488 1.990 40 0 FDABLO CCS(=O)(=O)N1CCO[C@@]2(CCC[N@H+](Cc3csc(C)n3)C2)C1 ZINC000096226703 222088770 /nfs/dbraw/zinc/08/87/70/222088770.db2.gz XNQYBZXWKCMCCY-OAHLLOKOSA-N 1 2 359.517 1.468 40 0 FDABLO CCS(=O)(=O)N1CCO[C@@]2(CCC[N@@H+](Cc3csc(C)n3)C2)C1 ZINC000096226703 222088771 /nfs/dbraw/zinc/08/87/71/222088771.db2.gz XNQYBZXWKCMCCY-OAHLLOKOSA-N 1 2 359.517 1.468 40 0 FDABLO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000101982773 222287662 /nfs/dbraw/zinc/28/76/62/222287662.db2.gz WUGIZUHZLVSMHY-ZDUSSCGKSA-N 1 2 370.236 1.823 40 0 FDABLO Cc1cccc([C@@H]2CC(=O)c3cnc(N4CC[NH+](CCO)CC4)nc3C2)c1 ZINC000021123186 263382376 /nfs/dbraw/zinc/38/23/76/263382376.db2.gz HYEBAJUWAPRMEK-KRWDZBQOSA-N 1 2 366.465 1.812 40 0 FDABLO COC(=O)c1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](C)CO)n2)cc1OC ZINC000329027686 534192291 /nfs/dbraw/zinc/19/22/91/534192291.db2.gz PSSGPNMUKLMYSD-LLVKDONJSA-N 1 2 372.425 1.529 40 0 FDABLO Cc1cc2c(nc3n(c2=O)CCN(C(=O)CCCn2cc[nH+]c2)CC3)s1 ZINC000012221537 518596436 /nfs/dbraw/zinc/59/64/36/518596436.db2.gz AJJNTZHKCLVQPI-UHFFFAOYSA-N 1 2 371.466 1.828 40 0 FDABLO CCC(=O)N1CC[C@@H](c2ccnc3c(C[NH+]4CCOCC4)c(C)nn32)C1 ZINC000019707974 518828099 /nfs/dbraw/zinc/82/80/99/518828099.db2.gz SHAFDGFNCYCPRZ-OAHLLOKOSA-N 1 2 357.458 1.596 40 0 FDABLO C[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 ZINC000038425990 519634304 /nfs/dbraw/zinc/63/43/04/519634304.db2.gz DQUTXVQCNPJDTB-UHFFFAOYSA-N 1 2 365.480 1.937 40 0 FDABLO c1ccc(-c2cc(NCC[NH+]3CCOCC3)nc(NC3CCCC3)n2)nc1 ZINC000329063412 534478592 /nfs/dbraw/zinc/47/85/92/534478592.db2.gz XECMFZAGVSNQQB-UHFFFAOYSA-N 1 2 368.485 1.481 40 0 FDABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000245230753 521305234 /nfs/dbraw/zinc/30/52/34/521305234.db2.gz YEZNKYFKDZHBMC-ZTENYAIWSA-N 1 2 360.410 1.370 40 0 FDABLO CCOC(=O)[C@]1(CC)[NH2+][C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000245229869 521353560 /nfs/dbraw/zinc/35/35/60/521353560.db2.gz HSGRKWCSKYMMPD-ZFCANOHDSA-N 1 2 374.437 1.673 40 0 FDABLO CC(C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000044196509 521928124 /nfs/dbraw/zinc/92/81/24/521928124.db2.gz LXXDNOCTLHDRDQ-AWEZNQCLSA-N 1 2 353.488 1.397 40 0 FDABLO CCN1C[C@@]2(CC1=O)CN(C(=O)N(C)C)CC[N@H+](Cc1nccs1)C2 ZINC000096036213 525123071 /nfs/dbraw/zinc/12/30/71/525123071.db2.gz KROOGUQYXPZLOF-KRWDZBQOSA-N 1 2 365.503 1.181 40 0 FDABLO CCN1C[C@@]2(CC1=O)CN(C(=O)N(C)C)CC[N@@H+](Cc1nccs1)C2 ZINC000096036213 525123072 /nfs/dbraw/zinc/12/30/72/525123072.db2.gz KROOGUQYXPZLOF-KRWDZBQOSA-N 1 2 365.503 1.181 40 0 FDABLO CCCCNC(=O)N1CCc2[nH+]c(N3CCOCC3)nc(N(C)C)c2C1 ZINC000096058573 535288776 /nfs/dbraw/zinc/28/87/76/535288776.db2.gz MOTRTMQCWGTNSE-UHFFFAOYSA-N 1 2 362.478 1.247 40 0 FDABLO Cc1cccc(C[NH+]2CC3(C2)C[C@H](OCC(=O)N2CCCC2)CCO3)n1 ZINC000247874846 537155214 /nfs/dbraw/zinc/15/52/14/537155214.db2.gz NFCMJPYNXZGQCF-GOSISDBHSA-N 1 2 359.470 1.762 40 0 FDABLO COc1ccc(C[NH+]2CC3(C2)OCC[C@H]3CCOCC(=O)N(C)C)cc1 ZINC000247977621 537160857 /nfs/dbraw/zinc/16/08/57/537160857.db2.gz IWMIJAASRUPBLJ-QGZVFWFLSA-N 1 2 362.470 1.781 40 0 FDABLO Cc1ncsc1C[N@@H+]1Cc2ncn(C)c2[C@@H](C(=O)N2CCOCC2)C1 ZINC000248003323 537162255 /nfs/dbraw/zinc/16/22/55/537162255.db2.gz BHFGJURWXUIZKR-ZDUSSCGKSA-N 1 2 361.471 1.143 40 0 FDABLO Cc1ncsc1C[N@H+]1Cc2ncn(C)c2[C@@H](C(=O)N2CCOCC2)C1 ZINC000248003323 537162258 /nfs/dbraw/zinc/16/22/58/537162258.db2.gz BHFGJURWXUIZKR-ZDUSSCGKSA-N 1 2 361.471 1.143 40 0 FDABLO Cc1ncsc1C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccno1)CO2 ZINC000248061415 537165266 /nfs/dbraw/zinc/16/52/66/537165266.db2.gz VWIKBNJNSRIRCA-CYBMUJFWSA-N 1 2 362.455 1.851 40 0 FDABLO CCCn1c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2sc1=O ZINC000225726264 537558364 /nfs/dbraw/zinc/55/83/64/537558364.db2.gz VFZPATQTZFGFCV-UHFFFAOYSA-N 1 2 355.485 1.409 40 0 FDABLO CSCC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCCc2cccs2)C1 ZINC000585096055 551568834 /nfs/dbraw/zinc/56/88/34/551568834.db2.gz PCRNOKVJKOFRNN-CQSZACIVSA-N 1 2 364.496 1.550 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(Cc3ccccc3OC)C2)C[N@@H+]1CC1CC1 ZINC000585109682 551573390 /nfs/dbraw/zinc/57/33/90/551573390.db2.gz ZKUKFULJGDERLO-QGZVFWFLSA-N 1 2 359.470 1.106 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(Cc3ccccc3OC)C2)C[N@H+]1CC1CC1 ZINC000585109682 551573391 /nfs/dbraw/zinc/57/33/91/551573391.db2.gz ZKUKFULJGDERLO-QGZVFWFLSA-N 1 2 359.470 1.106 40 0 FDABLO CS(=O)(=O)NCC[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000585112627 551574422 /nfs/dbraw/zinc/57/44/22/551574422.db2.gz UOKMVHUFPWZHCQ-INIZCTEOSA-N 1 2 373.482 1.861 40 0 FDABLO CS(=O)(=O)NCC[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000585112627 551574423 /nfs/dbraw/zinc/57/44/23/551574423.db2.gz UOKMVHUFPWZHCQ-INIZCTEOSA-N 1 2 373.482 1.861 40 0 FDABLO CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000408615262 570584686 /nfs/dbraw/zinc/58/46/86/570584686.db2.gz ODLCUWOWJXYTTP-UHFFFAOYSA-N 1 2 370.862 1.509 40 0 FDABLO Cc1ccc(N([C@H](C)C(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)cc1 ZINC000408630207 570596099 /nfs/dbraw/zinc/59/60/99/570596099.db2.gz PJUCLBNKQCKWID-OAHLLOKOSA-N 1 2 364.471 1.553 40 0 FDABLO O=C(Nc1ccc(F)cc1F)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cc[nH+]c2)[C@H]1O ZINC000952844883 960131179 /nfs/dbraw/zinc/13/11/79/960131179.db2.gz QVLGATOOEVZZFB-ARILJUKYSA-N 1 2 366.324 1.009 40 0 biogenic,in-vitro FDABLO Cc1ccc(C[NH+]2CC3(C2)OCC[C@H]3CCNC(=O)c2ccnn2C)o1 ZINC000248035467 222958904 /nfs/dbraw/zinc/95/89/04/222958904.db2.gz MRTUZZZMFGNNNK-OAHLLOKOSA-N 1 2 358.442 1.733 40 0 FDABLO CN1CC2(C[NH+](CCOCc3ccccc3)C2)OC[C@@H]1C(=O)N1CCCC1 ZINC000248027551 222959364 /nfs/dbraw/zinc/95/93/64/222959364.db2.gz MZSUAPCNQVGOGU-LJQANCHMSA-N 1 2 373.497 1.211 40 0 FDABLO CCn1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)c(C)n1 ZINC000257307872 223061107 /nfs/dbraw/zinc/06/11/07/223061107.db2.gz TULKJADYCCVBMO-ZDUSSCGKSA-N 1 2 351.476 1.718 40 0 FDABLO CCn1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)c(C)n1 ZINC000257307872 223061111 /nfs/dbraw/zinc/06/11/11/223061111.db2.gz TULKJADYCCVBMO-ZDUSSCGKSA-N 1 2 351.476 1.718 40 0 FDABLO Cn1ccc(NC(=O)C[N@@H+]2CCC[C@@](O)(COc3ccc(F)cc3)C2)n1 ZINC000257340439 223072019 /nfs/dbraw/zinc/07/20/19/223072019.db2.gz ZGCVVFBIKRCXRN-SFHVURJKSA-N 1 2 362.405 1.404 40 0 FDABLO Cn1ccc(NC(=O)C[N@H+]2CCC[C@@](O)(COc3ccc(F)cc3)C2)n1 ZINC000257340439 223072021 /nfs/dbraw/zinc/07/20/21/223072021.db2.gz ZGCVVFBIKRCXRN-SFHVURJKSA-N 1 2 362.405 1.404 40 0 FDABLO COCCN1CC[C@]2(CN(C(=O)C3CC3)C[C@H]2c2cn(C(C)C)c[nH+]2)C1=O ZINC000306140741 223112727 /nfs/dbraw/zinc/11/27/27/223112727.db2.gz VCVZPPFHNNWOCH-OXJNMPFZSA-N 1 2 374.485 1.665 40 0 FDABLO CCn1cc(C[N@H+]2Cc3cncn3[C@H](COCC(=O)N3CCCC3)C2)cn1 ZINC000306139115 223113268 /nfs/dbraw/zinc/11/32/68/223113268.db2.gz SPUPZVXNDXXXGP-SFHVURJKSA-N 1 2 372.473 1.295 40 0 FDABLO CCn1cc(C[N@@H+]2Cc3cncn3[C@H](COCC(=O)N3CCCC3)C2)cn1 ZINC000306139115 223113272 /nfs/dbraw/zinc/11/32/72/223113272.db2.gz SPUPZVXNDXXXGP-SFHVURJKSA-N 1 2 372.473 1.295 40 0 FDABLO C[C@H](CO)Nc1nc(NCCc2ccncc2)cc(-c2ccncc2)[nH+]1 ZINC000329043133 223131310 /nfs/dbraw/zinc/13/13/10/223131310.db2.gz SRURNIOVAHVJRM-CQSZACIVSA-N 1 2 350.426 1.225 40 0 FDABLO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000018029926 220222091 /nfs/dbraw/zinc/22/20/91/220222091.db2.gz WUGIZUHZLVSMHY-CYBMUJFWSA-N 1 2 370.236 1.823 40 0 FDABLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1nn(CC)c(=O)c2ccccc12 ZINC000019500376 220262958 /nfs/dbraw/zinc/26/29/58/220262958.db2.gz MRRLWDMPGPPKDE-OAHLLOKOSA-N 1 2 372.469 1.186 40 0 FDABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000019502011 220263496 /nfs/dbraw/zinc/26/34/96/220263496.db2.gz YEZNKYFKDZHBMC-HRLGVUPISA-N 1 2 360.410 1.370 40 0 FDABLO CNc1cc([C@H]2CCCN(C(=O)c3cc(OC)nc(OC)n3)C2)cc[nH+]1 ZINC000257334302 533055730 /nfs/dbraw/zinc/05/57/30/533055730.db2.gz YFIAHPXGULERLP-ZDUSSCGKSA-N 1 2 357.414 1.950 40 0 FDABLO C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)c1cc(C3CC3)on1)CC2 ZINC000019706144 220285133 /nfs/dbraw/zinc/28/51/33/220285133.db2.gz LPCQYDOMDUCSAF-OAHLLOKOSA-N 1 2 370.457 1.999 40 0 FDABLO C[N@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)c1cc(C3CC3)on1)CC2 ZINC000019706144 220285138 /nfs/dbraw/zinc/28/51/38/220285138.db2.gz LPCQYDOMDUCSAF-OAHLLOKOSA-N 1 2 370.457 1.999 40 0 FDABLO Cc1nc(C)c(C(=O)N2CCc3nnc([C@H]4CCC[N@H+]4C)n3CC2)s1 ZINC000019706316 220285608 /nfs/dbraw/zinc/28/56/08/220285608.db2.gz DOTDZDCKWCZKHQ-CYBMUJFWSA-N 1 2 360.487 1.817 40 0 FDABLO Cc1nc(C)c(C(=O)N2CCc3nnc([C@H]4CCC[N@@H+]4C)n3CC2)s1 ZINC000019706316 220285610 /nfs/dbraw/zinc/28/56/10/220285610.db2.gz DOTDZDCKWCZKHQ-CYBMUJFWSA-N 1 2 360.487 1.817 40 0 FDABLO COc1cccc(CC(=O)N2CCC[C@H](c3nnc4n3CC[NH2+]C4)C2)c1 ZINC000019710965 220287632 /nfs/dbraw/zinc/28/76/32/220287632.db2.gz PTJDAVQHWZJNJH-HNNXBMFYSA-N 1 2 355.442 1.339 40 0 FDABLO Cc1cc2nc(C)c(CCC(=O)NC[C@H](C)[NH+]3CCOCC3)c(C)n2n1 ZINC000019714094 220288655 /nfs/dbraw/zinc/28/86/55/220288655.db2.gz AOYWRSVBOWDDLF-AWEZNQCLSA-N 1 2 359.474 1.424 40 0 FDABLO CN(C)S(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000019748991 220293774 /nfs/dbraw/zinc/29/37/74/220293774.db2.gz VLMZNOFYMKHXCT-AWEZNQCLSA-N 1 2 365.503 1.704 40 0 FDABLO CN(C)S(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000019748991 220293778 /nfs/dbraw/zinc/29/37/78/220293778.db2.gz VLMZNOFYMKHXCT-AWEZNQCLSA-N 1 2 365.503 1.704 40 0 FDABLO Nc1ncc(C[N@H+](CCNC(=O)c2cccs2)Cc2ccccn2)cn1 ZINC000057797366 221093787 /nfs/dbraw/zinc/09/37/87/221093787.db2.gz WUOWJTUTZVXLAP-UHFFFAOYSA-N 1 2 368.466 1.948 40 0 FDABLO Nc1ncc(C[N@@H+](CCNC(=O)c2cccs2)Cc2ccccn2)cn1 ZINC000057797366 221093790 /nfs/dbraw/zinc/09/37/90/221093790.db2.gz WUOWJTUTZVXLAP-UHFFFAOYSA-N 1 2 368.466 1.948 40 0 FDABLO CN(C)c1ncc(C[NH+]2CCC3(CC2)NC(=O)c2ccccc2O3)cn1 ZINC000057796503 221094276 /nfs/dbraw/zinc/09/42/76/221094276.db2.gz YSMBABLWFOBFBC-UHFFFAOYSA-N 1 2 353.426 1.657 40 0 FDABLO CN1CC[N@H+](CC2CC2)[C@H](c2cn3c(cccc3N3CCOCC3)n2)C1 ZINC000306139531 132301935 /nfs/dbraw/zinc/30/19/35/132301935.db2.gz SZQFMHVGHJACRT-SFHVURJKSA-N 1 2 355.486 1.869 40 0 FDABLO CN1CC[N@@H+](CC2CC2)[C@H](c2cn3c(cccc3N3CCOCC3)n2)C1 ZINC000306139531 132301936 /nfs/dbraw/zinc/30/19/36/132301936.db2.gz SZQFMHVGHJACRT-SFHVURJKSA-N 1 2 355.486 1.869 40 0 FDABLO CN(C)c1nc2c(c(N3CCOCC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000072341937 136144707 /nfs/dbraw/zinc/14/47/07/136144707.db2.gz KENDFXKOESHRIE-UHFFFAOYSA-N 1 2 353.470 1.938 40 0 FDABLO CN(C)c1nc2c(c(N3CCOCC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000072341937 136144708 /nfs/dbraw/zinc/14/47/08/136144708.db2.gz KENDFXKOESHRIE-UHFFFAOYSA-N 1 2 353.470 1.938 40 0 FDABLO Cn1nc(Cn2cc[nH+]c2)c2c1CN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000096084488 222018421 /nfs/dbraw/zinc/01/84/21/222018421.db2.gz LKFZJHHWYQOQNK-UHFFFAOYSA-N 1 2 351.366 1.550 40 0 FDABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)c2cccnc2)CCO3)no1 ZINC000096205902 222077181 /nfs/dbraw/zinc/07/71/81/222077181.db2.gz ZDTNRLLRHIWTFA-VQIMIIECSA-N 1 2 356.426 1.932 40 0 FDABLO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@H](NC(=O)c2cccnc2)CCO3)no1 ZINC000096205902 222077183 /nfs/dbraw/zinc/07/71/83/222077183.db2.gz ZDTNRLLRHIWTFA-VQIMIIECSA-N 1 2 356.426 1.932 40 0 FDABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@@H](C(=O)NCc3cccnc3)[C@@H](C1)O2 ZINC000107264467 222391995 /nfs/dbraw/zinc/39/19/95/222391995.db2.gz SSPWAVYIYWEEAC-JFIYKMOQSA-N 1 2 356.426 1.592 40 0 FDABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@@H](C(=O)NCc3cccnc3)[C@@H](C1)O2 ZINC000107264467 222391999 /nfs/dbraw/zinc/39/19/99/222391999.db2.gz SSPWAVYIYWEEAC-JFIYKMOQSA-N 1 2 356.426 1.592 40 0 FDABLO COc1ncc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cn1 ZINC000012122237 518588823 /nfs/dbraw/zinc/58/88/23/518588823.db2.gz HZEYHTOZRUUENM-UHFFFAOYSA-N 1 2 350.382 1.601 40 0 FDABLO COc1ncc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cn1 ZINC000012122237 518588826 /nfs/dbraw/zinc/58/88/26/518588826.db2.gz HZEYHTOZRUUENM-UHFFFAOYSA-N 1 2 350.382 1.601 40 0 FDABLO CC(C)(C)c1nnc(NC(=O)CN2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000023093238 518928120 /nfs/dbraw/zinc/92/81/20/518928120.db2.gz ARSIQFFESMWMCJ-UHFFFAOYSA-N 1 2 374.514 1.987 40 0 FDABLO c1cc2n(n1)C[C@@H](Oc1ncccn1)C[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000306124478 534477139 /nfs/dbraw/zinc/47/71/39/534477139.db2.gz BQTHIVFGAXJFHW-INIZCTEOSA-N 1 2 365.393 1.865 40 0 FDABLO c1cc2n(n1)C[C@@H](Oc1ncccn1)C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000306124478 534477146 /nfs/dbraw/zinc/47/71/46/534477146.db2.gz BQTHIVFGAXJFHW-INIZCTEOSA-N 1 2 365.393 1.865 40 0 FDABLO O=S(=O)(N1CCCC1)N1CCC[C@@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350619 522221602 /nfs/dbraw/zinc/22/16/02/522221602.db2.gz PJPIPMCXQNZVLK-CQSZACIVSA-N 1 2 362.459 1.182 40 0 FDABLO COc1ccc(-c2nnc(SCC(=O)N3CC[NH+](C)CC3)n2C)cc1 ZINC000097569048 525188437 /nfs/dbraw/zinc/18/84/37/525188437.db2.gz NJEPOAXFBNGYJH-UHFFFAOYSA-N 1 2 361.471 1.357 40 0 FDABLO COc1cccc(C[N@@H+]2C[C@H]3C[C@@H](C(=O)NCc4cccnc4)[C@@H](C2)O3)c1 ZINC000247890432 537157129 /nfs/dbraw/zinc/15/71/29/537157129.db2.gz ASTWHLBPAVFHCQ-VAMGGRTRSA-N 1 2 367.449 1.996 40 0 FDABLO COc1cccc(C[N@H+]2C[C@H]3C[C@@H](C(=O)NCc4cccnc4)[C@@H](C2)O3)c1 ZINC000247890432 537157132 /nfs/dbraw/zinc/15/71/32/537157132.db2.gz ASTWHLBPAVFHCQ-VAMGGRTRSA-N 1 2 367.449 1.996 40 0 FDABLO CCOC[C@H]1CC[N@H+](C)C2(CN(S(=O)(=O)c3ccc(F)cc3)C2)C1 ZINC000248103038 537166163 /nfs/dbraw/zinc/16/61/63/537166163.db2.gz FGOFQQKGJCOYQB-AWEZNQCLSA-N 1 2 356.463 1.947 40 0 FDABLO CCOC[C@H]1CC[N@@H+](C)C2(CN(S(=O)(=O)c3ccc(F)cc3)C2)C1 ZINC000248103038 537166165 /nfs/dbraw/zinc/16/61/65/537166165.db2.gz FGOFQQKGJCOYQB-AWEZNQCLSA-N 1 2 356.463 1.947 40 0 FDABLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1sccc1Cl ZINC000285407765 537704770 /nfs/dbraw/zinc/70/47/70/537704770.db2.gz FOPAJFWEXAUQSD-NSHDSACASA-N 1 2 357.863 1.064 40 0 FDABLO CCn1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2CNc2ncccn2)cn1 ZINC000585094750 551568536 /nfs/dbraw/zinc/56/85/36/551568536.db2.gz KHTYNWWYNCVMLF-OAHLLOKOSA-N 1 2 352.446 1.466 40 0 FDABLO CCS(=O)(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCCc2cccs2)C1 ZINC000585096107 551568841 /nfs/dbraw/zinc/56/88/41/551568841.db2.gz RNAJYIPIYRTMTG-CQSZACIVSA-N 1 2 368.484 1.010 40 0 FDABLO COCC(=O)NC[C@@H]1CCn2nccc2C[N@@H+]1Cc1ccccc1OC ZINC000585097192 551569765 /nfs/dbraw/zinc/56/97/65/551569765.db2.gz IMYNIHDGMWCZSY-INIZCTEOSA-N 1 2 358.442 1.429 40 0 FDABLO COCC(=O)NC[C@@H]1CCn2nccc2C[N@H+]1Cc1ccccc1OC ZINC000585097192 551569768 /nfs/dbraw/zinc/56/97/68/551569768.db2.gz IMYNIHDGMWCZSY-INIZCTEOSA-N 1 2 358.442 1.429 40 0 FDABLO Cc1ccsc1C[N@H+]1Cc2ccnn2[C@@H](CCNS(C)(=O)=O)C1 ZINC000585112797 551574453 /nfs/dbraw/zinc/57/44/53/551574453.db2.gz WQCQCCAKAULPLN-AWEZNQCLSA-N 1 2 354.501 1.749 40 0 FDABLO Cc1ccsc1C[N@@H+]1Cc2ccnn2[C@@H](CCNS(C)(=O)=O)C1 ZINC000585112797 551574454 /nfs/dbraw/zinc/57/44/54/551574454.db2.gz WQCQCCAKAULPLN-AWEZNQCLSA-N 1 2 354.501 1.749 40 0 FDABLO Cc1snnc1C(=O)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000585113562 551574917 /nfs/dbraw/zinc/57/49/17/551574917.db2.gz UUPATEPKKMWQDG-KRWDZBQOSA-N 1 2 359.455 1.611 40 0 FDABLO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2cnn(C)c2)CC[C@@]1(C)O ZINC000604382264 553870650 /nfs/dbraw/zinc/87/06/50/553870650.db2.gz MHXWVQKWEZMFSO-SLFFLAALSA-N 1 2 372.469 1.249 40 0 biogenic,in-vitro FDABLO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2cnn(C)c2)CC[C@@]1(C)O ZINC000604382264 553870654 /nfs/dbraw/zinc/87/06/54/553870654.db2.gz MHXWVQKWEZMFSO-SLFFLAALSA-N 1 2 372.469 1.249 40 0 biogenic,in-vitro FDABLO CCS(=O)(=O)CC[N@H+]1Cc2cccn2C[C@@H](OCc2ccncc2)C1 ZINC000253489995 571136106 /nfs/dbraw/zinc/13/61/06/571136106.db2.gz HBQKDLXGHJAFPX-SFHVURJKSA-N 1 2 363.483 1.719 40 0 FDABLO CCS(=O)(=O)CC[N@@H+]1Cc2cccn2C[C@@H](OCc2ccncc2)C1 ZINC000253489995 571136108 /nfs/dbraw/zinc/13/61/08/571136108.db2.gz HBQKDLXGHJAFPX-SFHVURJKSA-N 1 2 363.483 1.719 40 0 FDABLO Cc1ccsc1C(=O)N1Cc2c[nH+]cn2[C@@H](CCNS(C)(=O)=O)C1 ZINC000253598261 571138941 /nfs/dbraw/zinc/13/89/41/571138941.db2.gz FBONEYPGHWZXES-LBPRGKRZSA-N 1 2 368.484 1.389 40 0 FDABLO Cc1nc(Nc2ncccn2)cc([C@@H]2CCCC[N@H+]2CC(=O)N(C)C)n1 ZINC000257204503 223018275 /nfs/dbraw/zinc/01/82/75/223018275.db2.gz AUXUJWQMWGZHRC-HNNXBMFYSA-N 1 2 355.446 1.934 40 0 FDABLO Cc1nc(Nc2ncccn2)cc([C@@H]2CCCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000257204503 223018277 /nfs/dbraw/zinc/01/82/77/223018277.db2.gz AUXUJWQMWGZHRC-HNNXBMFYSA-N 1 2 355.446 1.934 40 0 FDABLO Cc1cc(C)n(CCCC(=O)NC[C@]2(O)CCN(c3cccc[nH+]3)C2)n1 ZINC000257260369 223041074 /nfs/dbraw/zinc/04/10/74/223041074.db2.gz LCOAXXJVTLTDEG-LJQANCHMSA-N 1 2 357.458 1.433 40 0 FDABLO Cc1nc(N2CCC[C@@H]2c2ccnc3c(C(=O)N(C)C)cnn32)cc[nH+]1 ZINC000257267214 223044523 /nfs/dbraw/zinc/04/45/23/223044523.db2.gz MGKHLCQRGKEILN-CQSZACIVSA-N 1 2 351.414 1.871 40 0 FDABLO Cc1nc(N2CCC[C@H]2c2ccnc3c(C(=O)N(C)C)cnn32)cc[nH+]1 ZINC000257267213 223044555 /nfs/dbraw/zinc/04/45/55/223044555.db2.gz MGKHLCQRGKEILN-AWEZNQCLSA-N 1 2 351.414 1.871 40 0 FDABLO COCCn1cc(C(=O)N2CC[N@H+](C)[C@H](C(=O)N(C)C)C2)c2ccccc21 ZINC000257284647 223049653 /nfs/dbraw/zinc/04/96/53/223049653.db2.gz PDRFCRKKMOKAMS-SFHVURJKSA-N 1 2 372.469 1.132 40 0 FDABLO COCCn1cc(C(=O)N2CC[N@@H+](C)[C@H](C(=O)N(C)C)C2)c2ccccc21 ZINC000257284647 223049656 /nfs/dbraw/zinc/04/96/56/223049656.db2.gz PDRFCRKKMOKAMS-SFHVURJKSA-N 1 2 372.469 1.132 40 0 FDABLO O=S(=O)(c1cccnc1)N1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257284503 223049875 /nfs/dbraw/zinc/04/98/75/223049875.db2.gz PCYAEFZWBSVTQB-CQSZACIVSA-N 1 2 370.438 1.626 40 0 FDABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc43)C2)[nH+]1 ZINC000257304981 223058650 /nfs/dbraw/zinc/05/86/50/223058650.db2.gz SNYJJECNDRTSEY-CYBMUJFWSA-N 1 2 351.410 1.985 40 0 FDABLO Cn1cc(C[N@H+]2Cc3ccnn3C[C@@H](CNC(=O)c3cscn3)C2)cn1 ZINC000306131175 223108082 /nfs/dbraw/zinc/10/80/82/223108082.db2.gz JYDXJXPJOWPDDC-ZDUSSCGKSA-N 1 2 371.470 1.135 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3ccnn3C[C@@H](CNC(=O)c3cscn3)C2)cn1 ZINC000306131175 223108083 /nfs/dbraw/zinc/10/80/83/223108083.db2.gz JYDXJXPJOWPDDC-ZDUSSCGKSA-N 1 2 371.470 1.135 40 0 FDABLO CCS(=O)(=O)NC[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000306137758 223112315 /nfs/dbraw/zinc/11/23/15/223112315.db2.gz RFEOJHJQZBTGML-INIZCTEOSA-N 1 2 373.482 1.861 40 0 FDABLO CCS(=O)(=O)NC[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000306137758 223112321 /nfs/dbraw/zinc/11/23/21/223112321.db2.gz RFEOJHJQZBTGML-INIZCTEOSA-N 1 2 373.482 1.861 40 0 FDABLO Cn1c[nH+]c([C@@H]2CN(C(=O)c3ccco3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306139085 223113027 /nfs/dbraw/zinc/11/30/27/223113027.db2.gz SOZCOHNWEXRMDC-MGPUTAFESA-N 1 2 368.437 1.881 40 0 FDABLO CCn1ncc(C[N@@H+]2CCc3c(=O)[nH]c(-c4ccccn4)nc3C2)c1C ZINC000012120708 219957346 /nfs/dbraw/zinc/95/73/46/219957346.db2.gz LSAVGRMTPHUKRA-UHFFFAOYSA-N 1 2 350.426 1.915 40 0 FDABLO CCn1ncc(C[N@H+]2CCc3c(=O)[nH]c(-c4ccccn4)nc3C2)c1C ZINC000012120708 219957350 /nfs/dbraw/zinc/95/73/50/219957350.db2.gz LSAVGRMTPHUKRA-UHFFFAOYSA-N 1 2 350.426 1.915 40 0 FDABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cccc(OC)c3)C2=O)CC1 ZINC000013636626 220080599 /nfs/dbraw/zinc/08/05/99/220080599.db2.gz NYQFVQZRQVTMRL-MRXNPFEDSA-N 1 2 360.410 1.602 40 0 FDABLO Cn1ccnc1-c1cnc(NCC[NH+]2CCOCC2)nc1-c1ccco1 ZINC000019291795 220247214 /nfs/dbraw/zinc/24/72/14/220247214.db2.gz YCAPGQDKNFVFCL-UHFFFAOYSA-N 1 2 354.414 1.881 40 0 FDABLO O=C(CCn1c(C(F)(F)F)cc2cccnc21)NCC[NH+]1CCOCC1 ZINC000019347163 220251933 /nfs/dbraw/zinc/25/19/33/220251933.db2.gz NBPZCUYFNHVNBS-UHFFFAOYSA-N 1 2 370.375 1.894 40 0 FDABLO CCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000019502012 220263752 /nfs/dbraw/zinc/26/37/52/220263752.db2.gz NQUHMJFFFHSEEE-XMDUPGNXSA-N 1 2 360.410 1.370 40 0 FDABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000019502015 220264277 /nfs/dbraw/zinc/26/42/77/220264277.db2.gz NQUHMJFFFHSEEE-HRLGVUPISA-N 1 2 360.410 1.370 40 0 FDABLO Cc1cc(=O)n(CCC(=O)NC[C@H](C)[NH+]2CCOCC2)c2ccccc12 ZINC000019566547 220273777 /nfs/dbraw/zinc/27/37/77/220273777.db2.gz DZLRPIXVWNOHPC-INIZCTEOSA-N 1 2 357.454 1.537 40 0 FDABLO CC(C)(C)n1nnnc1[C@@H](c1ccccc1F)[NH+]1CCC(C(N)=O)CC1 ZINC000057669793 221091946 /nfs/dbraw/zinc/09/19/46/221091946.db2.gz SOPVSKLLCHFUCI-OAHLLOKOSA-N 1 2 360.437 1.854 40 0 FDABLO COc1cccc(CNc2cc(-c3cccnc3)[nH+]c(N[C@@H](C)CO)n2)c1 ZINC000329057788 533486395 /nfs/dbraw/zinc/48/63/95/533486395.db2.gz VZDBVXQKKHAESH-AWEZNQCLSA-N 1 2 365.437 1.796 40 0 FDABLO Cn1cc(C[N@H+]2Cc3nnn(C)c3[C@H](COCc3ccccn3)C2)cn1 ZINC000096060764 222006511 /nfs/dbraw/zinc/00/65/11/222006511.db2.gz PTNRLGYDVAXQSF-HNNXBMFYSA-N 1 2 353.430 1.260 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3nnn(C)c3[C@H](COCc3ccccn3)C2)cn1 ZINC000096060764 222006515 /nfs/dbraw/zinc/00/65/15/222006515.db2.gz PTNRLGYDVAXQSF-HNNXBMFYSA-N 1 2 353.430 1.260 40 0 FDABLO CN(C)C(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251272 222099849 /nfs/dbraw/zinc/09/98/49/222099849.db2.gz ILDPEFGTECSVPC-KXBFYZLASA-N 1 2 359.474 1.370 40 0 FDABLO Cc1cccc(C[N@@H+]2CCO[C@]3(C2)COCCN(c2ncccn2)C3)n1 ZINC000096229482 222091405 /nfs/dbraw/zinc/09/14/05/222091405.db2.gz DYTDXKIFNUYHPW-IBGZPJMESA-N 1 2 355.442 1.288 40 0 FDABLO Cc1cccc(C[N@H+]2CCO[C@]3(C2)COCCN(c2ncccn2)C3)n1 ZINC000096229482 222091407 /nfs/dbraw/zinc/09/14/07/222091407.db2.gz DYTDXKIFNUYHPW-IBGZPJMESA-N 1 2 355.442 1.288 40 0 FDABLO CCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000100420288 222242682 /nfs/dbraw/zinc/24/26/82/222242682.db2.gz ZHTHIOFSQYRLSB-MOROJQBDSA-N 1 2 364.829 1.927 40 0 FDABLO CCC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000100420696 222242876 /nfs/dbraw/zinc/24/28/76/222242876.db2.gz NQUHMJFFFHSEEE-YGTYGHESSA-N 1 2 360.410 1.370 40 0 FDABLO Cc1csc2c1nc1n(c2=O)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000012088372 518586835 /nfs/dbraw/zinc/58/68/35/518586835.db2.gz WWOKNDNUKLTIQZ-UHFFFAOYSA-N 1 2 371.466 1.828 40 0 FDABLO Cc1cc(C)n(-c2cc(C)[nH+]c(N3CCCN(S(C)(=O)=O)CC3)n2)n1 ZINC000012120882 518589262 /nfs/dbraw/zinc/58/92/62/518589262.db2.gz GEPYVTXXGOWQHO-UHFFFAOYSA-N 1 2 364.475 1.059 40 0 FDABLO C[C@@H]1CN(C(=O)CN2c3ccccc3C3=[NH+]CCCN3C2=O)C[C@@H](C)O1 ZINC000012142800 518590939 /nfs/dbraw/zinc/59/09/39/518590939.db2.gz OUFQCDIPYNLPJW-ZIAGYGMSSA-N 1 2 356.426 1.715 40 0 FDABLO Cc1cc2c(nc3n(c2=O)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC3)s1 ZINC000012221533 518596691 /nfs/dbraw/zinc/59/66/91/518596691.db2.gz UIHBHDLKADZWJI-LBPRGKRZSA-N 1 2 371.466 1.999 40 0 FDABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3OCC)C2=O)C1 ZINC000014607404 518694698 /nfs/dbraw/zinc/69/46/98/518694698.db2.gz YIAKWINIQFMXMA-GDBMZVCRSA-N 1 2 374.437 1.992 40 0 FDABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccccc3OCC)C2=O)C1 ZINC000014607404 518694703 /nfs/dbraw/zinc/69/47/03/518694703.db2.gz YIAKWINIQFMXMA-GDBMZVCRSA-N 1 2 374.437 1.992 40 0 FDABLO Cc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)ccc1N1CCCC1=O ZINC000030859515 519397647 /nfs/dbraw/zinc/39/76/47/519397647.db2.gz OFIXWWRCTWSREC-UHFFFAOYSA-N 1 2 362.455 1.687 40 0 FDABLO COCCn1nnnc1[C@H](C(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000035311200 519602624 /nfs/dbraw/zinc/60/26/24/519602624.db2.gz GAKJMDIHEOOGQO-KRWDZBQOSA-N 1 2 362.453 1.978 40 0 FDABLO CCOC(=O)[C@]1(CC)[NH2+][C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000245230411 521353610 /nfs/dbraw/zinc/35/36/10/521353610.db2.gz QXYJPYRNFVYREE-XTDOFWJNSA-N 1 2 360.410 1.282 40 0 FDABLO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCC[N@@H+]3C(CO)CO)n2)n1 ZINC000072384845 522232016 /nfs/dbraw/zinc/23/20/16/522232016.db2.gz IUBHAHLRPBRJIE-INIZCTEOSA-N 1 2 372.473 1.816 40 0 FDABLO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCC[N@H+]3C(CO)CO)n2)n1 ZINC000072384845 522232021 /nfs/dbraw/zinc/23/20/21/522232021.db2.gz IUBHAHLRPBRJIE-INIZCTEOSA-N 1 2 372.473 1.816 40 0 FDABLO C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000078269260 523547877 /nfs/dbraw/zinc/54/78/77/523547877.db2.gz ZODHLSVTCICPIV-FUHWJXTLSA-N 1 2 371.485 1.136 40 0 FDABLO CC(C)C(=O)N1CC[N@H+](Cc2nccs2)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000096036053 525122480 /nfs/dbraw/zinc/12/24/80/525122480.db2.gz NXOJIEJLFOLRPO-KRWDZBQOSA-N 1 2 350.488 1.292 40 0 FDABLO CC(C)C(=O)N1CC[N@@H+](Cc2nccs2)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000096036053 525122490 /nfs/dbraw/zinc/12/24/90/525122490.db2.gz NXOJIEJLFOLRPO-KRWDZBQOSA-N 1 2 350.488 1.292 40 0 FDABLO O=S(=O)(C1CC1)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC000108535300 525981431 /nfs/dbraw/zinc/98/14/31/525981431.db2.gz WTAHTWPHGVTWRF-IRXDYDNUSA-N 1 2 354.447 1.593 40 0 FDABLO O=S(=O)(C1CC1)N1CCO[C@H]2CC[N@H+](Cc3ccccc3F)C[C@@H]21 ZINC000108535300 525981439 /nfs/dbraw/zinc/98/14/39/525981439.db2.gz WTAHTWPHGVTWRF-IRXDYDNUSA-N 1 2 354.447 1.593 40 0 FDABLO O=S1(=O)CC[C@@H](COCc2cccnc2)C12C[NH+](C1CCOCC1)C2 ZINC000247293442 537103992 /nfs/dbraw/zinc/10/39/92/537103992.db2.gz BUAHIZFJOILLFQ-INIZCTEOSA-N 1 2 366.483 1.266 40 0 FDABLO O=S(=O)(C1CC1)N1Cc2c[nH+]cn2[C@H](COc2ncccc2F)C1 ZINC000247298814 537104566 /nfs/dbraw/zinc/10/45/66/537104566.db2.gz DMAPQSKHBRRIBH-LBPRGKRZSA-N 1 2 352.391 1.345 40 0 FDABLO O=S(=O)(C1CC1)N1Cc2c[nH+]cn2[C@@H](COc2ncccc2F)C1 ZINC000247298800 537104872 /nfs/dbraw/zinc/10/48/72/537104872.db2.gz DMAPQSKHBRRIBH-GFCCVEGCSA-N 1 2 352.391 1.345 40 0 FDABLO O=S1(=O)CC[C@H](COCc2ccccn2)C12C[NH+](C1CCOCC1)C2 ZINC000247322257 537107892 /nfs/dbraw/zinc/10/78/92/537107892.db2.gz MHEQJEOVGHWIIY-OAHLLOKOSA-N 1 2 366.483 1.266 40 0 FDABLO COCCNC(=O)[C@@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2c[nH+]cn21 ZINC000247834718 537153218 /nfs/dbraw/zinc/15/32/18/537153218.db2.gz ISRALRAEVZUKFX-INIZCTEOSA-N 1 2 366.824 1.995 40 0 FDABLO Cn1cc(C(=O)NC[C@H]2CCC3(C[NH+](Cc4cccnc4)C3)OC2)cn1 ZINC000248129637 537168108 /nfs/dbraw/zinc/16/81/08/537168108.db2.gz MXDZQUVZPWRHHC-MRXNPFEDSA-N 1 2 355.442 1.226 40 0 FDABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](CCOCC(=O)N(C)C)C2)n(C)n1 ZINC000585095069 551568557 /nfs/dbraw/zinc/56/85/57/551568557.db2.gz CQRCJGKIPFSPMY-KRWDZBQOSA-N 1 2 373.501 1.657 40 0 FDABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](CCOCC(=O)N(C)C)C2)n(C)n1 ZINC000585095069 551568558 /nfs/dbraw/zinc/56/85/58/551568558.db2.gz CQRCJGKIPFSPMY-KRWDZBQOSA-N 1 2 373.501 1.657 40 0 FDABLO Cc1ccc2[nH+]c(CN3C(=O)C[C@H]4[C@@H]3CCN4C(=O)OCCF)cn2c1 ZINC000585109056 551573295 /nfs/dbraw/zinc/57/32/95/551573295.db2.gz QKDPSVRCVZCBKY-GJZGRUSLSA-N 1 2 360.389 1.924 40 0 FDABLO Cc1ccccc1OC[C@@]1(O)COCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000585276635 551577377 /nfs/dbraw/zinc/57/73/77/551577377.db2.gz GTCKXVGPQWFYLA-IBGZPJMESA-N 1 2 359.426 1.251 40 0 FDABLO Cc1cnc(C(=O)N2CC3(C2)OCC[C@@H]3CCNc2cccc[nH+]2)cn1 ZINC000253601566 571139265 /nfs/dbraw/zinc/13/92/65/571139265.db2.gz UBSDLBGIIUJRJX-HNNXBMFYSA-N 1 2 353.426 1.913 40 0 FDABLO Cc1ncoc1C(=O)N1Cc2c[nH+]cn2[C@H](COCc2ccncc2)C1 ZINC000248011054 222957431 /nfs/dbraw/zinc/95/74/31/222957431.db2.gz GGUITYLRKVKZKI-INIZCTEOSA-N 1 2 353.382 1.988 40 0 FDABLO Cc1cn(C)c([C@@H]2CN(C(=O)Cc3c(C)[nH+]c4ccccn43)CCO2)n1 ZINC000257284465 223049743 /nfs/dbraw/zinc/04/97/43/223049743.db2.gz PCUQJZBQBXNVDD-INIZCTEOSA-N 1 2 353.426 1.827 40 0 FDABLO O=C(c1ccnc(N2CCCC2)c1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257289789 223052080 /nfs/dbraw/zinc/05/20/80/223052080.db2.gz QAEINFHPSCUVSJ-IRXDYDNUSA-N 1 2 355.442 1.717 40 0 FDABLO C[C@H](CO)Nc1nc(NCc2ccccc2F)cc(-c2ccncc2)[nH+]1 ZINC000328993779 223128519 /nfs/dbraw/zinc/12/85/19/223128519.db2.gz JBSJMDYUPRPOAM-CYBMUJFWSA-N 1 2 353.401 1.926 40 0 FDABLO CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCCCC3)=[NH+]2)cc1 ZINC000014607666 220126851 /nfs/dbraw/zinc/12/68/51/220126851.db2.gz XIFAIJWJKIENMR-HNNXBMFYSA-N 1 2 357.414 1.314 40 0 FDABLO CCN1c2ccccc2[C@]2(NC(=N)NC(Nc3ccc(F)cc3)=[NH+]2)C1=O ZINC000019330809 220250864 /nfs/dbraw/zinc/25/08/64/220250864.db2.gz JROVQNRKWSCTSE-GOSISDBHSA-N 1 2 352.373 1.731 40 0 FDABLO CCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019501984 220262613 /nfs/dbraw/zinc/26/26/13/220262613.db2.gz ZHTHIOFSQYRLSB-WZTLGTBRSA-N 1 2 364.829 1.927 40 0 FDABLO CCOC(=O)[C@]1(CC)[NH2+][C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000019500761 220263129 /nfs/dbraw/zinc/26/31/29/220263129.db2.gz QXYJPYRNFVYREE-NRTGNBEESA-N 1 2 360.410 1.282 40 0 FDABLO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000019578072 220275963 /nfs/dbraw/zinc/27/59/63/220275963.db2.gz YDWBVKICHVMQPW-MRXNPFEDSA-N 1 2 368.485 1.977 40 0 FDABLO CCn1ccnc1C[N@H+]1CCC[C@@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000019578072 220275970 /nfs/dbraw/zinc/27/59/70/220275970.db2.gz YDWBVKICHVMQPW-MRXNPFEDSA-N 1 2 368.485 1.977 40 0 FDABLO C[N@@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)COc1ccccc1)CC2 ZINC000019706523 220288643 /nfs/dbraw/zinc/28/86/43/220288643.db2.gz NKKZWAGMBZASAC-INIZCTEOSA-N 1 2 355.442 1.509 40 0 FDABLO C[N@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)COc1ccccc1)CC2 ZINC000019706523 220288649 /nfs/dbraw/zinc/28/86/49/220288649.db2.gz NKKZWAGMBZASAC-INIZCTEOSA-N 1 2 355.442 1.509 40 0 FDABLO CNc1nc([C@H]2CCCCN2C(=O)C(C)(C)OC)nc2c1C[N@H+](C)CC2 ZINC000019711589 220289076 /nfs/dbraw/zinc/28/90/76/220289076.db2.gz ONYVRPZAWLDNEC-OAHLLOKOSA-N 1 2 361.490 1.985 40 0 FDABLO CNc1nc([C@H]2CCCCN2C(=O)C(C)(C)OC)nc2c1C[N@@H+](C)CC2 ZINC000019711589 220289079 /nfs/dbraw/zinc/28/90/79/220289079.db2.gz ONYVRPZAWLDNEC-OAHLLOKOSA-N 1 2 361.490 1.985 40 0 FDABLO Cc1nn([C@@H](C)C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1Br ZINC000022276791 220381552 /nfs/dbraw/zinc/38/15/52/220381552.db2.gz CISMAEPXBRHKCE-PWSUYJOCSA-N 1 2 359.268 1.352 40 0 FDABLO COc1cccc(C(=O)NC2CC[NH+](CC(=O)Nc3nccs3)CC2)c1 ZINC000057681253 221092383 /nfs/dbraw/zinc/09/23/83/221092383.db2.gz XSXMCCDIIWHQFM-UHFFFAOYSA-N 1 2 374.466 1.985 40 0 FDABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000257327567 533468261 /nfs/dbraw/zinc/46/82/61/533468261.db2.gz XBVSOFTYNUSUEA-LBPRGKRZSA-N 1 2 353.419 1.821 40 0 FDABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000257327567 533468264 /nfs/dbraw/zinc/46/82/64/533468264.db2.gz XBVSOFTYNUSUEA-LBPRGKRZSA-N 1 2 353.419 1.821 40 0 FDABLO C[N@@H+]1CCN(Cc2cccnc2)C(=O)C12CCN(c1cnccn1)CC2 ZINC000096077175 132218409 /nfs/dbraw/zinc/21/84/09/132218409.db2.gz JWIQBGGWGCWDDW-UHFFFAOYSA-N 1 2 352.442 1.185 40 0 FDABLO C[N@H+]1CCN(Cc2cccnc2)C(=O)C12CCN(c1cnccn1)CC2 ZINC000096077175 132218410 /nfs/dbraw/zinc/21/84/10/132218410.db2.gz JWIQBGGWGCWDDW-UHFFFAOYSA-N 1 2 352.442 1.185 40 0 FDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)C1CCCC1)CC2 ZINC000096254934 132224598 /nfs/dbraw/zinc/22/45/98/132224598.db2.gz AEFPQIJOMJPXDC-UHFFFAOYSA-N 1 2 373.501 1.497 40 0 FDABLO CCn1cc(C(=O)N(C)C[C@@]2(O)CCCN(c3cccc[nH+]3)C2)c(C)n1 ZINC000257293585 132296663 /nfs/dbraw/zinc/29/66/63/132296663.db2.gz QQGABBWUSQLYLM-IBGZPJMESA-N 1 2 357.458 1.710 40 0 FDABLO CCc1noc(C)c1C(=O)NC[C@@]1(O)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257301935 132296832 /nfs/dbraw/zinc/29/68/32/132296832.db2.gz SAQNSDYDNDDTCH-SFHVURJKSA-N 1 2 359.430 1.405 40 0 FDABLO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000081067478 172182370 /nfs/dbraw/zinc/18/23/70/172182370.db2.gz XWDSRCUHRIVCSH-CYBMUJFWSA-N 1 2 352.378 1.436 40 0 FDABLO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000081067478 172182373 /nfs/dbraw/zinc/18/23/73/172182373.db2.gz XWDSRCUHRIVCSH-CYBMUJFWSA-N 1 2 352.378 1.436 40 0 FDABLO CNC(=O)[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@H]1C(=O)NCc1ccncc1 ZINC000096113024 222031611 /nfs/dbraw/zinc/03/16/11/222031611.db2.gz CJGRVQCRZMGDPU-RBUKOAKNSA-N 1 2 366.465 1.520 40 0 biogenic,in-vitro FDABLO CNC(=O)[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H]1C(=O)NCc1ccncc1 ZINC000096113024 222031615 /nfs/dbraw/zinc/03/16/15/222031615.db2.gz CJGRVQCRZMGDPU-RBUKOAKNSA-N 1 2 366.465 1.520 40 0 biogenic,in-vitro FDABLO Cc1noc(C)c1C(=O)N1CCc2[nH+]c(N3CCCC3)nc(N(C)C)c2C1 ZINC000096253977 222101233 /nfs/dbraw/zinc/10/12/33/222101233.db2.gz WEBPEJHFDIUJRO-UHFFFAOYSA-N 1 2 370.457 1.946 40 0 FDABLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(Cc1ccccc1)CC2 ZINC000096187498 222070811 /nfs/dbraw/zinc/07/08/11/222070811.db2.gz LURBTWLVDUIFCF-UHFFFAOYSA-N 1 2 353.470 1.366 40 0 FDABLO COC[C@@H]1CC2(CN1S(C)(=O)=O)CC[NH+](Cc1nccs1)CC2 ZINC000096208654 222078888 /nfs/dbraw/zinc/07/88/88/222078888.db2.gz MKDKCZIWZVEJOG-ZDUSSCGKSA-N 1 2 359.517 1.406 40 0 FDABLO COC[C@H]1CC2(CN1S(C)(=O)=O)CC[NH+](Cc1cc(C)on1)CC2 ZINC000096220780 222084379 /nfs/dbraw/zinc/08/43/79/222084379.db2.gz YKCCVFZYJDHRKL-OAHLLOKOSA-N 1 2 357.476 1.246 40 0 FDABLO CN(C)c1ncc(C[N@@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cn1 ZINC000012325854 518603831 /nfs/dbraw/zinc/60/38/31/518603831.db2.gz AJYSUKYLUJDPRG-UHFFFAOYSA-N 1 2 365.441 1.727 40 0 FDABLO CN(C)c1ncc(C[N@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cn1 ZINC000012325854 518603838 /nfs/dbraw/zinc/60/38/38/518603838.db2.gz AJYSUKYLUJDPRG-UHFFFAOYSA-N 1 2 365.441 1.727 40 0 FDABLO C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 ZINC000019590172 518819956 /nfs/dbraw/zinc/81/99/56/518819956.db2.gz LKMOLOHEROWXEQ-VYMYIBDJSA-N 1 2 355.482 1.895 40 0 FDABLO C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 ZINC000019590172 518819961 /nfs/dbraw/zinc/81/99/61/518819961.db2.gz LKMOLOHEROWXEQ-VYMYIBDJSA-N 1 2 355.482 1.895 40 0 FDABLO O=C(Nc1nc2ccccc2n1CC[NH+]1CCOCC1)c1cnccn1 ZINC000032501888 519511001 /nfs/dbraw/zinc/51/10/01/519511001.db2.gz WPQXRKCOIULACT-UHFFFAOYSA-N 1 2 352.398 1.411 40 0 FDABLO O=C(C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)NC[C@H]1COCCO1 ZINC000035315664 519603018 /nfs/dbraw/zinc/60/30/18/519603018.db2.gz KGYVQLFDOZBNEC-KRWDZBQOSA-N 1 2 364.417 1.252 40 0 FDABLO C[NH+]1CCN(C(=O)CSc2nnc(COc3ccccc3F)o2)CC1 ZINC000075345603 522905916 /nfs/dbraw/zinc/90/59/16/522905916.db2.gz IFTOMFNXTNYPAE-UHFFFAOYSA-N 1 2 366.418 1.654 40 0 FDABLO Cn1cc[nH+]c1CN1C[C@H]2CN(C(=O)c3ccc(F)cc3)CCN2C1=O ZINC000077266418 523282801 /nfs/dbraw/zinc/28/28/01/523282801.db2.gz KREDNOREWQHNCY-OAHLLOKOSA-N 1 2 357.389 1.321 40 0 biogenic,in-vitro FDABLO CC(C)NC(=O)N1CC[N@H+](Cc2nccs2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096036094 525123310 /nfs/dbraw/zinc/12/33/10/525123310.db2.gz JGUYLAXRYIGMTN-QGZVFWFLSA-N 1 2 365.503 1.227 40 0 FDABLO CC(C)NC(=O)N1CC[N@@H+](Cc2nccs2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096036094 525123317 /nfs/dbraw/zinc/12/33/17/525123317.db2.gz JGUYLAXRYIGMTN-QGZVFWFLSA-N 1 2 365.503 1.227 40 0 FDABLO CC(C)Cc1cc(C(=O)N(C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)on1 ZINC000257326630 528638966 /nfs/dbraw/zinc/63/89/66/528638966.db2.gz WXYOTBJCWIQQKM-IBGZPJMESA-N 1 2 358.442 1.982 40 0 FDABLO O=S(=O)(c1cccnc1)N1CC2(C1)OCC[C@H]2CCNc1cccc[nH+]1 ZINC000247333829 537109473 /nfs/dbraw/zinc/10/94/73/537109473.db2.gz PWFQILZHICDZCW-OAHLLOKOSA-N 1 2 374.466 1.758 40 0 FDABLO O=C1CCCN1C[C@@H]1Cn2nccc2C[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000247812736 537151444 /nfs/dbraw/zinc/15/14/44/537151444.db2.gz BJPPNQBKMLLUPZ-MRXNPFEDSA-N 1 2 368.437 1.866 40 0 FDABLO O=C1CCCN1C[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000247812736 537151448 /nfs/dbraw/zinc/15/14/48/537151448.db2.gz BJPPNQBKMLLUPZ-MRXNPFEDSA-N 1 2 368.437 1.866 40 0 FDABLO O=C1CCCN1C[C@H]1Cn2nccc2C[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000247812734 537151576 /nfs/dbraw/zinc/15/15/76/537151576.db2.gz BJPPNQBKMLLUPZ-INIZCTEOSA-N 1 2 368.437 1.866 40 0 FDABLO O=C1CCCN1C[C@H]1Cn2nccc2C[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000247812734 537151577 /nfs/dbraw/zinc/15/15/77/537151577.db2.gz BJPPNQBKMLLUPZ-INIZCTEOSA-N 1 2 368.437 1.866 40 0 FDABLO CCS(=O)(=O)NCC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(C)o2)C1 ZINC000248065411 537165101 /nfs/dbraw/zinc/16/51/01/537165101.db2.gz DWSHTJMKMMHMNI-HNNXBMFYSA-N 1 2 366.487 1.746 40 0 FDABLO CCS(=O)(=O)NCC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc(C)o2)C1 ZINC000248065411 537165103 /nfs/dbraw/zinc/16/51/03/537165103.db2.gz DWSHTJMKMMHMNI-HNNXBMFYSA-N 1 2 366.487 1.746 40 0 FDABLO CN(C)c1cc(N2CC3(C2)OCC[C@@H]3COc2ncccc2F)nc[nH+]1 ZINC000248117163 537166899 /nfs/dbraw/zinc/16/68/99/537166899.db2.gz LZJKLZRWOUQQCS-CYBMUJFWSA-N 1 2 359.405 1.751 40 0 FDABLO CN(C)c1cc(N2CC3(C2)OCC[C@@H]3COc2ncccc2F)[nH+]cn1 ZINC000248117163 537166902 /nfs/dbraw/zinc/16/69/02/537166902.db2.gz LZJKLZRWOUQQCS-CYBMUJFWSA-N 1 2 359.405 1.751 40 0 FDABLO O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)[NH2+]Cc1cnc(NCc2ccccc2)nc1 ZINC000218761026 537467547 /nfs/dbraw/zinc/46/75/47/537467547.db2.gz SJQURSZAILLOTF-MRXNPFEDSA-N 1 2 352.398 1.597 40 0 FDABLO O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)[NH2+]Cc1cnc(NCc2ccccc2)nc1 ZINC000218761026 537467555 /nfs/dbraw/zinc/46/75/55/537467555.db2.gz SJQURSZAILLOTF-MRXNPFEDSA-N 1 2 352.398 1.597 40 0 FDABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccco2)N1CC[NH+]1CCOCC1 ZINC000223124496 537519305 /nfs/dbraw/zinc/51/93/05/537519305.db2.gz KHAQVLQRZOYROU-IAGOWNOFSA-N 1 2 358.467 1.979 40 0 FDABLO CN([C@@H](C(=O)NCCCn1cc[nH+]c1)c1ccccc1)S(C)(=O)=O ZINC000225716391 537556933 /nfs/dbraw/zinc/55/69/33/537556933.db2.gz DINMYMSQOMXBNB-OAHLLOKOSA-N 1 2 350.444 1.022 40 0 FDABLO CSc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(C)C ZINC000225807948 537561551 /nfs/dbraw/zinc/56/15/51/537561551.db2.gz GTYUVDJJXUZRDS-UHFFFAOYSA-N 1 2 371.528 1.939 40 0 FDABLO Cc1cc(C(=O)N2Cc3[nH+]cn(C)c3C[C@H]2COc2ccccn2)no1 ZINC000585094634 551568378 /nfs/dbraw/zinc/56/83/78/551568378.db2.gz GIVIZOITCGXMEF-ZDUSSCGKSA-N 1 2 353.382 1.758 40 0 FDABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)COc1ccccc1OC ZINC000585094908 551568502 /nfs/dbraw/zinc/56/85/02/551568502.db2.gz TYPZOSPPXOXPAA-CQSZACIVSA-N 1 2 359.426 1.798 40 0 FDABLO O=C(NCc1cscn1)C1=NO[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000585101270 551570757 /nfs/dbraw/zinc/57/07/57/551570757.db2.gz TVIDODFIDODEME-SFHVURJKSA-N 1 2 371.466 1.965 40 0 FDABLO O=C(NCc1cscn1)C1=NO[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000585101270 551570760 /nfs/dbraw/zinc/57/07/60/551570760.db2.gz TVIDODFIDODEME-SFHVURJKSA-N 1 2 371.466 1.965 40 0 FDABLO O=C(CC1CC1)NCc1c[nH+]c2n1CCN(C(=O)c1ccnc(F)c1)CC2 ZINC000585110647 551573597 /nfs/dbraw/zinc/57/35/97/551573597.db2.gz ROTDWCRKPNXCHZ-UHFFFAOYSA-N 1 2 371.416 1.532 40 0 FDABLO C[N@H+](CC(=O)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1)Cc1cccnc1 ZINC000585280565 551578241 /nfs/dbraw/zinc/57/82/41/551578241.db2.gz KOCJVVMUXBFPMN-UXHICEINSA-N 1 2 353.466 1.966 40 0 FDABLO C[N@@H+](CC(=O)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1)Cc1cccnc1 ZINC000585280565 551578243 /nfs/dbraw/zinc/57/82/43/551578243.db2.gz KOCJVVMUXBFPMN-UXHICEINSA-N 1 2 353.466 1.966 40 0 FDABLO Cc1cc2[nH+]c(N3CCCCC3)n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2cc1C ZINC000004830576 204167037 /nfs/dbraw/zinc/16/70/37/204167037.db2.gz OGQTVPDRDZUIRB-MHORFTMASA-N 1 2 361.442 1.255 40 0 FDABLO CCC(=O)N1CCc2cc(S(=O)(=O)N3CC[NH+](CC)CC3)ccc21 ZINC000036077016 205003929 /nfs/dbraw/zinc/00/39/29/205003929.db2.gz KHZLVYZLWFDAAQ-UHFFFAOYSA-N 1 2 351.472 1.312 40 0 FDABLO COCCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC)cc3)no2)[N@H+](C)C1 ZINC000012529913 206292485 /nfs/dbraw/zinc/29/24/85/206292485.db2.gz XRHSHKIJTMJVLA-ZFWWWQNUSA-N 1 2 360.414 1.643 40 0 biogenic,in-vitro FDABLO COCCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC)cc3)no2)[N@@H+](C)C1 ZINC000012529913 206292488 /nfs/dbraw/zinc/29/24/88/206292488.db2.gz XRHSHKIJTMJVLA-ZFWWWQNUSA-N 1 2 360.414 1.643 40 0 biogenic,in-vitro FDABLO CCN1C(=O)[C@@H]2[C@H](c3ccc(OC)cc3)[NH2+][C@@](CC)(C(=O)OC)[C@H]2C1=O ZINC000019500763 206326719 /nfs/dbraw/zinc/32/67/19/206326719.db2.gz VYHKUBZGMLCDIP-QCUYGVNKSA-N 1 2 360.410 1.282 40 0 FDABLO COC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@@H]1c1ccccc1C ZINC000022587440 206379414 /nfs/dbraw/zinc/37/94/14/206379414.db2.gz UCCMSBARLBMIQU-QGZVFWFLSA-N 1 2 358.442 1.023 40 0 FDABLO O=C1CO[C@@]2(CN1c1ccccn1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096051371 132217886 /nfs/dbraw/zinc/21/78/86/132217886.db2.gz FYHFGQFYTXAONJ-IBGZPJMESA-N 1 2 354.410 1.111 40 0 FDABLO O=C1CO[C@@]2(CN1c1ccccn1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096051371 132217887 /nfs/dbraw/zinc/21/78/87/132217887.db2.gz FYHFGQFYTXAONJ-IBGZPJMESA-N 1 2 354.410 1.111 40 0 FDABLO Cc1ccnn1CCC(=O)N(C)C[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257216754 132295155 /nfs/dbraw/zinc/29/51/55/132295155.db2.gz CVXRMRBEBGGEQD-IBGZPJMESA-N 1 2 357.458 1.467 40 0 FDABLO Cc1ccn(CCC(=O)N(C)C[C@]2(O)CCCN(c3cccc[nH+]3)C2)n1 ZINC000257326255 132297112 /nfs/dbraw/zinc/29/71/12/132297112.db2.gz WWMKEXVDNKHQKC-LJQANCHMSA-N 1 2 357.458 1.467 40 0 FDABLO CN(C)c1cc(N2CCC[C@@](O)(CNC(=O)c3ccccc3)C2)nc[nH+]1 ZINC000257331015 132297296 /nfs/dbraw/zinc/29/72/96/132297296.db2.gz XQZZQBHKNPLFOK-LJQANCHMSA-N 1 2 355.442 1.304 40 0 FDABLO CN(C)c1cc(N2CCC[C@@](O)(CNC(=O)c3ccccc3)C2)[nH+]cn1 ZINC000257331015 132297297 /nfs/dbraw/zinc/29/72/97/132297297.db2.gz XQZZQBHKNPLFOK-LJQANCHMSA-N 1 2 355.442 1.304 40 0 FDABLO c1csc(N2CN(CC[NH+]3CCOCC3)CN(c3nccs3)C2)n1 ZINC000021123005 263382606 /nfs/dbraw/zinc/38/26/06/263382606.db2.gz JKBSXWMGUYLLDY-UHFFFAOYSA-N 1 2 366.516 1.433 40 0 FDABLO C[C@@H]1CN(C(=O)CN2c3ccccc3C3=[NH+]CCCN3C2=O)C[C@H](C)O1 ZINC000012142802 518591616 /nfs/dbraw/zinc/59/16/16/518591616.db2.gz OUFQCDIPYNLPJW-OKILXGFUSA-N 1 2 356.426 1.715 40 0 FDABLO O=C(C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2)NCc1ccco1 ZINC000012183441 518594457 /nfs/dbraw/zinc/59/44/57/518594457.db2.gz USMQEKBANPFZDZ-UHFFFAOYSA-N 1 2 355.394 1.510 40 0 FDABLO CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCCCC3)=[NH+]2)cc1 ZINC000014162856 518679774 /nfs/dbraw/zinc/67/97/74/518679774.db2.gz REHOMSUWQHXONN-HNNXBMFYSA-N 1 2 372.425 1.532 40 0 FDABLO COc1ccc(OC)c(NC(=O)[C@@H]2C=C(O)NC(Nc3ccccc3)=[NH+]2)c1 ZINC000014606995 518694657 /nfs/dbraw/zinc/69/46/57/518694657.db2.gz OEANKOZJRBPFLK-HNNXBMFYSA-N 1 2 368.393 1.999 40 0 FDABLO O=C(C[NH+]1CCC(O)(c2ccc3c(c2)OCO3)CC1)Nc1nccs1 ZINC000019345614 518808708 /nfs/dbraw/zinc/80/87/08/518808708.db2.gz AZYGBLLPHMPZNX-UHFFFAOYSA-N 1 2 361.423 1.794 40 0 FDABLO CCn1cc(C[NH+]2CCN(C(=O)c3c(C)cc(C)n(C)c3=O)CC2)c(C)n1 ZINC000019524571 518815479 /nfs/dbraw/zinc/81/54/79/518815479.db2.gz YHRPAUIYMCSBHA-UHFFFAOYSA-N 1 2 371.485 1.485 40 0 FDABLO CC(=O)N[C@@H]1CCc2ccc(S(=O)(=O)NCCNc3cccc[nH+]3)cc21 ZINC000019746204 518832016 /nfs/dbraw/zinc/83/20/16/518832016.db2.gz KGGVHAPBOOREDD-QGZVFWFLSA-N 1 2 374.466 1.595 40 0 FDABLO C[C@H](C(=O)N1CCC(c2nn(C)c3ncccc23)CC1)[NH+]1CCOCC1 ZINC000072341210 522220250 /nfs/dbraw/zinc/22/02/50/522220250.db2.gz VXNHCIKBZBWITD-CQSZACIVSA-N 1 2 357.458 1.395 40 0 FDABLO O=S(=O)(c1ccc(F)cc1)N1CC[C@@]2(C[C@H](n3cc[nH+]c3)CO2)C1 ZINC000096072845 525130313 /nfs/dbraw/zinc/13/03/13/525130313.db2.gz UUKPOZLZXYSINW-GOEBONIOSA-N 1 2 351.403 1.817 40 0 FDABLO Cn1cc[nH+]c1CN1CCC[C@]2(C(=O)[O-])C[N@H+](Cc3ccoc3)C[C@@H]2C1 ZINC000096185217 525147299 /nfs/dbraw/zinc/14/72/99/525147299.db2.gz UIBSGZHCZZTADS-LPHOPBHVSA-N 1 2 358.442 1.812 40 0 FDABLO Cn1cc[nH+]c1CN1CCC[C@]2(C(=O)[O-])C[N@@H+](Cc3ccoc3)C[C@@H]2C1 ZINC000096185217 525147309 /nfs/dbraw/zinc/14/73/09/525147309.db2.gz UIBSGZHCZZTADS-LPHOPBHVSA-N 1 2 358.442 1.812 40 0 FDABLO CCOC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2cccc3c2OCCO3)C1 ZINC000096216547 525152052 /nfs/dbraw/zinc/15/20/52/525152052.db2.gz NHBOQKXYKCVOLV-CQSZACIVSA-N 1 2 357.410 1.963 40 0 FDABLO Cc1cc(C(=O)N2CC[C@@H]3[C@H](CC2)OCC[N@@H+]3Cc2cccnc2)no1 ZINC000096249395 525156161 /nfs/dbraw/zinc/15/61/61/525156161.db2.gz PITJUEUJSVIBOT-MSOLQXFVSA-N 1 2 356.426 1.884 40 0 FDABLO Cc1cc(C(=O)N2CC[C@@H]3[C@H](CC2)OCC[N@H+]3Cc2cccnc2)no1 ZINC000096249395 525156171 /nfs/dbraw/zinc/15/61/71/525156171.db2.gz PITJUEUJSVIBOT-MSOLQXFVSA-N 1 2 356.426 1.884 40 0 FDABLO O=C(NC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21)C1CC1 ZINC000247459472 537120545 /nfs/dbraw/zinc/12/05/45/537120545.db2.gz AIGVJFMZDCJQNK-INIZCTEOSA-N 1 2 354.410 1.695 40 0 FDABLO Cn1nccc1C(=O)NCC[C@@H]1CCOC12C[NH+](Cc1ccsc1)C2 ZINC000248018132 537162831 /nfs/dbraw/zinc/16/28/31/537162831.db2.gz GZPOEUFXFQBANZ-OAHLLOKOSA-N 1 2 360.483 1.893 40 0 FDABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@H](OCC(=O)N3CCCC3)C2)n(C)n1 ZINC000248059923 537164898 /nfs/dbraw/zinc/16/48/98/537164898.db2.gz UFQVOVOJSGGPDI-LJQANCHMSA-N 1 2 371.485 1.553 40 0 FDABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@H](OCC(=O)N3CCCC3)C2)n(C)n1 ZINC000248059923 537164899 /nfs/dbraw/zinc/16/48/99/537164899.db2.gz UFQVOVOJSGGPDI-LJQANCHMSA-N 1 2 371.485 1.553 40 0 FDABLO Cn1cccc1C(=O)NC[C@H]1CCC2(C[NH+](Cc3ccncc3)C2)OC1 ZINC000248113013 537166579 /nfs/dbraw/zinc/16/65/79/537166579.db2.gz HWSAGCPPSYGLAK-QGZVFWFLSA-N 1 2 354.454 1.831 40 0 FDABLO CC(=O)c1cc(C(=O)N2C[C@@H]3C[NH+](Cc4csc(C)n4)C[C@H]3C2)[nH]n1 ZINC000585107583 551572420 /nfs/dbraw/zinc/57/24/20/551572420.db2.gz IUKCKCXTDHDQMC-STQMWFEESA-N 1 2 359.455 1.581 40 0 FDABLO CO[C@@H]1CC[N@H+](CC(=O)N=c2ccn(C)[nH]2)C[C@H]1Cc1ccc(C)cc1 ZINC000585275448 551576896 /nfs/dbraw/zinc/57/68/96/551576896.db2.gz AXBFGAGGMUCASE-QZTJIDSGSA-N 1 2 356.470 2.247 40 0 FDABLO CO[C@@H]1CC[N@@H+](CC(=O)N=c2ccn(C)[nH]2)C[C@H]1Cc1ccc(C)cc1 ZINC000585275448 551576899 /nfs/dbraw/zinc/57/68/99/551576899.db2.gz AXBFGAGGMUCASE-QZTJIDSGSA-N 1 2 356.470 2.247 40 0 FDABLO Cc1noc(C)c1C[N@H+]1Cc2ccnn2C[C@H](CCNS(C)(=O)=O)C1 ZINC000306144358 571043066 /nfs/dbraw/zinc/04/30/66/571043066.db2.gz ZDIYKBVAZXSZRG-CQSZACIVSA-N 1 2 367.475 1.059 40 0 FDABLO Cc1noc(C)c1C[N@@H+]1Cc2ccnn2C[C@H](CCNS(C)(=O)=O)C1 ZINC000306144358 571043068 /nfs/dbraw/zinc/04/30/68/571043068.db2.gz ZDIYKBVAZXSZRG-CQSZACIVSA-N 1 2 367.475 1.059 40 0 FDABLO Cc1cnc(C(=O)N2CC3(C2)OCC[C@H]3CCNc2cccc[nH+]2)cn1 ZINC000253601568 571139181 /nfs/dbraw/zinc/13/91/81/571139181.db2.gz UBSDLBGIIUJRJX-OAHLLOKOSA-N 1 2 353.426 1.913 40 0 FDABLO O=C(CCN1CCc2ccccc21)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257213502 571150757 /nfs/dbraw/zinc/15/07/57/571150757.db2.gz CHVFVDPVCYZVNS-OALUTQOASA-N 1 2 354.454 1.860 40 0 FDABLO O=C(C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccccc1OC(F)F ZINC000257279995 571157433 /nfs/dbraw/zinc/15/74/33/571157433.db2.gz OJBLRUCINYXVDF-YOEHRIQHSA-N 1 2 356.369 1.842 40 0 FDABLO O=C(C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccccc1OC(F)F ZINC000257279995 571157435 /nfs/dbraw/zinc/15/74/35/571157435.db2.gz OJBLRUCINYXVDF-YOEHRIQHSA-N 1 2 356.369 1.842 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)CC[N@@H+]1C(C)C ZINC000257288246 571158421 /nfs/dbraw/zinc/15/84/21/571158421.db2.gz PTMOSZGHKZTJFG-GOSISDBHSA-N 1 2 373.497 1.402 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)CC[N@H+]1C(C)C ZINC000257288246 571158422 /nfs/dbraw/zinc/15/84/22/571158422.db2.gz PTMOSZGHKZTJFG-GOSISDBHSA-N 1 2 373.497 1.402 40 0 FDABLO CNc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccccc3C)C2)nc[nH+]1 ZINC000257324050 571161974 /nfs/dbraw/zinc/16/19/74/571161974.db2.gz WMXZZJACCBFKET-LJQANCHMSA-N 1 2 355.442 1.540 40 0 FDABLO CNc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccccc3C)C2)[nH+]cn1 ZINC000257324050 571161977 /nfs/dbraw/zinc/16/19/77/571161977.db2.gz WMXZZJACCBFKET-LJQANCHMSA-N 1 2 355.442 1.540 40 0 FDABLO Cc1[nH+]cc(-c2cccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)n1C ZINC000257322381 571161997 /nfs/dbraw/zinc/16/19/97/571161997.db2.gz WFTGEFRBXWWKJW-AWEZNQCLSA-N 1 2 363.487 1.776 40 0 FDABLO Cc1cc(C)nc([C@H]2CN(C(=O)C[N@@H+](C)Cc3cccnc3)CCO2)n1 ZINC000257329951 571162694 /nfs/dbraw/zinc/16/26/94/571162694.db2.gz XMDPUUCAJGPLAG-QGZVFWFLSA-N 1 2 355.442 1.520 40 0 FDABLO Cc1cc(C)nc([C@H]2CN(C(=O)C[N@H+](C)Cc3cccnc3)CCO2)n1 ZINC000257329951 571162696 /nfs/dbraw/zinc/16/26/96/571162696.db2.gz XMDPUUCAJGPLAG-QGZVFWFLSA-N 1 2 355.442 1.520 40 0 FDABLO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000242908923 571359446 /nfs/dbraw/zinc/35/94/46/571359446.db2.gz GSAYPAIGKHIGKA-OAHLLOKOSA-N 1 2 374.528 1.043 40 0 FDABLO Cc1cc2[nH+]c(N3CCCCC3)n([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2cc1C ZINC000004830574 204166484 /nfs/dbraw/zinc/16/64/84/204166484.db2.gz OGQTVPDRDZUIRB-MLHJIOFPSA-N 1 2 361.442 1.255 40 0 FDABLO O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)N(Cc2[nH]cc[nH+]2)C1 ZINC000015675012 206315543 /nfs/dbraw/zinc/31/55/43/206315543.db2.gz MWXYOXPXMGZQAC-NEPJUHHUSA-N 1 2 355.354 1.496 40 0 biogenic,in-vitro FDABLO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cccnc3C)C2)nc[nH+]1 ZINC000257250087 132295466 /nfs/dbraw/zinc/29/54/66/132295466.db2.gz JKZFOVNLXZXABP-IBGZPJMESA-N 1 2 355.442 1.592 40 0 FDABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)NCc1ccc2c(c1)OCO2 ZINC000012114506 518586652 /nfs/dbraw/zinc/58/66/52/518586652.db2.gz UBJLOAQDZHRRNN-UHFFFAOYSA-N 1 2 369.421 1.410 40 0 FDABLO COc1ccc(C)cc1N1C(=O)C[C@@H]([NH+]2CCC3(CC2)OCCO3)C1=O ZINC000013636731 518664095 /nfs/dbraw/zinc/66/40/95/518664095.db2.gz MXPCXTACLPWDBM-OAHLLOKOSA-N 1 2 360.410 1.474 40 0 FDABLO Cc1[nH+]c(C2CCN(C(=O)Cn3nc(C)ccc3=O)CC2)c2sccn12 ZINC000019130979 518802765 /nfs/dbraw/zinc/80/27/65/518802765.db2.gz BHVDAQJWPBJKSW-UHFFFAOYSA-N 1 2 371.466 1.976 40 0 FDABLO Cc1[nH+]c2cc(NC(=O)CN3CCN(C4CCCC4)C(=O)C3)ccc2n1C ZINC000019658676 518823058 /nfs/dbraw/zinc/82/30/58/518823058.db2.gz RSLVOZDZUMIZIK-UHFFFAOYSA-N 1 2 369.469 1.907 40 0 FDABLO Cc1nc(C)c(C(=O)N2CCc3nnc([C@@H]4CCCC[N@H+]4C)n3CC2)o1 ZINC000019706315 518828574 /nfs/dbraw/zinc/82/85/74/518828574.db2.gz KVSGGCKFAIJLMT-AWEZNQCLSA-N 1 2 358.446 1.738 40 0 FDABLO Cc1nc(C)c(C(=O)N2CCc3nnc([C@@H]4CCCC[N@@H+]4C)n3CC2)o1 ZINC000019706315 518828583 /nfs/dbraw/zinc/82/85/83/518828583.db2.gz KVSGGCKFAIJLMT-AWEZNQCLSA-N 1 2 358.446 1.738 40 0 FDABLO O=C(Cn1nnc2ccccc21)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000028233934 519227785 /nfs/dbraw/zinc/22/77/85/519227785.db2.gz DNJSYIWJROBQLJ-UHFFFAOYSA-N 1 2 353.401 1.915 40 0 FDABLO C[C@@H](C(=O)N1CCC(c2nn(C)c3ncccc23)CC1)[NH+]1CCOCC1 ZINC000072341209 522219430 /nfs/dbraw/zinc/21/94/30/522219430.db2.gz VXNHCIKBZBWITD-AWEZNQCLSA-N 1 2 357.458 1.395 40 0 FDABLO O=S(=O)(N1CCCC1)N1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350620 522222038 /nfs/dbraw/zinc/22/20/38/522222038.db2.gz PJPIPMCXQNZVLK-AWEZNQCLSA-N 1 2 362.459 1.182 40 0 FDABLO COc1ccccc1CNc1cc(-c2ccncc2)[nH+]c(NCCCO)n1 ZINC000329024818 524458049 /nfs/dbraw/zinc/45/80/49/524458049.db2.gz PBUOBIOJRVIAFN-UHFFFAOYSA-N 1 2 365.437 1.797 40 0 FDABLO Cc1nc(C[N@@H+]2C[C@@H](C(=O)N3CCCCO3)C[C@H]3OCC[C@H]32)cs1 ZINC000096041255 525124091 /nfs/dbraw/zinc/12/40/91/525124091.db2.gz MFDGYFDEGOJUKU-NUEKZKHPSA-N 1 2 351.472 1.985 40 0 FDABLO Cc1nc(C[N@H+]2C[C@@H](C(=O)N3CCCCO3)C[C@H]3OCC[C@H]32)cs1 ZINC000096041255 525124097 /nfs/dbraw/zinc/12/40/97/525124097.db2.gz MFDGYFDEGOJUKU-NUEKZKHPSA-N 1 2 351.472 1.985 40 0 FDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)NCc4ccccn4)O[C@@H]3C2)no1 ZINC000096042847 525125375 /nfs/dbraw/zinc/12/53/75/525125375.db2.gz RAMIGVJINLBHHA-BMGDILEWSA-N 1 2 356.426 1.674 40 0 FDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](C(=O)NCc4ccccn4)O[C@@H]3C2)no1 ZINC000096042847 525125383 /nfs/dbraw/zinc/12/53/83/525125383.db2.gz RAMIGVJINLBHHA-BMGDILEWSA-N 1 2 356.426 1.674 40 0 FDABLO CC(C)Nc1[nH+]c2c(cc1C(=O)N(C)C)CCN(c1ccncn1)CC2 ZINC000096086806 525133278 /nfs/dbraw/zinc/13/32/78/525133278.db2.gz DPSKUBJTGAECAD-UHFFFAOYSA-N 1 2 354.458 1.999 40 0 FDABLO CCN1C(=O)[C@H](c2cnn(C)c2)CC12CC[NH+](Cc1nccn1C)CC2 ZINC000096199527 525148738 /nfs/dbraw/zinc/14/87/38/525148738.db2.gz ZLOUWVLGPNCIGI-INIZCTEOSA-N 1 2 356.474 1.524 40 0 FDABLO O=S(=O)(C1CC1)N1CCC[C@]2(C1)COCCN(c1cccc[nH+]1)C2 ZINC000096229063 525155648 /nfs/dbraw/zinc/15/56/48/525155648.db2.gz VKILJMITUWYJOG-KRWDZBQOSA-N 1 2 351.472 1.493 40 0 FDABLO O=C1NCC[N@H+](CC2CC2)C12CCN(S(=O)(=O)c1cccs1)CC2 ZINC000096230198 525155684 /nfs/dbraw/zinc/15/56/84/525155684.db2.gz IZTLTVRBBJEIJT-UHFFFAOYSA-N 1 2 369.512 1.113 40 0 FDABLO O=C1NCC[N@@H+](CC2CC2)C12CCN(S(=O)(=O)c1cccs1)CC2 ZINC000096230198 525155688 /nfs/dbraw/zinc/15/56/88/525155688.db2.gz IZTLTVRBBJEIJT-UHFFFAOYSA-N 1 2 369.512 1.113 40 0 FDABLO Cc1nc(C)c(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(=O)[nH]1 ZINC000019937526 526706968 /nfs/dbraw/zinc/70/69/68/526706968.db2.gz KXDYIAHAJRBFBI-RMKNXTFCSA-N 1 2 366.465 1.787 40 0 FDABLO Cc1cc(C(=O)N2Cc3c[nH+]cn3[C@@H](CCNS(C)(=O)=O)C2)c(C)o1 ZINC000247558873 537134608 /nfs/dbraw/zinc/13/46/08/537134608.db2.gz YCNVXHHIJWSVBD-ZDUSSCGKSA-N 1 2 366.443 1.229 40 0 FDABLO O=C([C@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21)N1CCOCC1 ZINC000247860537 537153904 /nfs/dbraw/zinc/15/39/04/537153904.db2.gz MIDPMHIKWHOPCP-LJQANCHMSA-N 1 2 370.453 1.315 40 0 FDABLO O=C([C@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21)N1CCOCC1 ZINC000247860537 537153909 /nfs/dbraw/zinc/15/39/09/537153909.db2.gz MIDPMHIKWHOPCP-LJQANCHMSA-N 1 2 370.453 1.315 40 0 FDABLO Cn1ccnc1C(=O)NCC[C@H]1CCOC12C[NH+](Cc1ccccn1)C2 ZINC000248144346 537168411 /nfs/dbraw/zinc/16/84/11/537168411.db2.gz RIHSOOVGVNNQTJ-HNNXBMFYSA-N 1 2 355.442 1.226 40 0 FDABLO C[C@@H]1C[C@H]1C(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCCc2cccs2)C1 ZINC000585096096 551568826 /nfs/dbraw/zinc/56/88/26/551568826.db2.gz QQQHDRYOTUMUEB-DAXOMENPSA-N 1 2 358.467 1.843 40 0 FDABLO C[C@H]1c2[nH+]cc(CCOc3ccccn3)n2CCN1C(=O)C1CC(O)C1 ZINC000585097892 551570026 /nfs/dbraw/zinc/57/00/26/551570026.db2.gz OTEUBBNKLCJMTO-HLIUYOAVSA-N 1 2 356.426 1.574 40 0 FDABLO Cc1cc(C(=O)N2Cc3ccnn3CC[C@H]2C[NH+]2CCOCC2)c(C)o1 ZINC000585098548 551570488 /nfs/dbraw/zinc/57/04/88/551570488.db2.gz ZIHPEWFFBWTCNE-INIZCTEOSA-N 1 2 358.442 1.840 40 0 FDABLO CCc1ccc(C[NH+]2CC3(C2)CC[C@@H](CNS(C)(=O)=O)CO3)cc1 ZINC000585104997 551571721 /nfs/dbraw/zinc/57/17/21/551571721.db2.gz NNHVOVNILRUUPJ-KRWDZBQOSA-N 1 2 352.500 1.779 40 0 FDABLO CCS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3ccc(F)cc3)C2)OC1 ZINC000585105537 551572692 /nfs/dbraw/zinc/57/26/92/551572692.db2.gz ZAZSTNDDRQYKKV-OAHLLOKOSA-N 1 2 356.463 1.746 40 0 FDABLO C[N@H+](Cc1ccco1)Cc1cnc2n1CCN(C(=O)C1CC(O)C1)CC2 ZINC000585110592 551573614 /nfs/dbraw/zinc/57/36/14/551573614.db2.gz AYPBSDUITAHGNZ-UHFFFAOYSA-N 1 2 358.442 1.264 40 0 FDABLO C[N@@H+](Cc1ccco1)Cc1cnc2n1CCN(C(=O)C1CC(O)C1)CC2 ZINC000585110592 551573617 /nfs/dbraw/zinc/57/36/17/551573617.db2.gz AYPBSDUITAHGNZ-UHFFFAOYSA-N 1 2 358.442 1.264 40 0 FDABLO Cc1cccc(C[C@]2(CO)CN(C(=O)CCCn3cc[nH+]c3)CCO2)c1 ZINC000585278313 551577797 /nfs/dbraw/zinc/57/77/97/551577797.db2.gz RSLXKDDEIQPFTJ-HXUWFJFHSA-N 1 2 357.454 1.804 40 0 FDABLO CCNC(=S)NN=c1nc(N2CCCCC2)[nH+]c(N2CCCCC2)[nH]1 ZINC000408724383 570678058 /nfs/dbraw/zinc/67/80/58/570678058.db2.gz DUUUGINLBGGASN-UHFFFAOYSA-N 1 2 364.523 1.663 40 0 FDABLO CCn1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCNC(=O)c2nccn2C)cn1 ZINC000306137446 571039963 /nfs/dbraw/zinc/03/99/63/571039963.db2.gz QWJPQARXCGSOPF-INIZCTEOSA-N 1 2 372.473 1.048 40 0 FDABLO OCCCNc1nc(NCc2cccc(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000329023044 571107658 /nfs/dbraw/zinc/10/76/58/571107658.db2.gz OREAGWVGLUJLQI-UHFFFAOYSA-N 1 2 353.401 1.928 40 0 FDABLO COc1cccc(CNc2cc(-c3ccncc3)[nH+]c(N[C@H](C)CO)n2)c1 ZINC000329036611 571108201 /nfs/dbraw/zinc/10/82/01/571108201.db2.gz RKHJZGCTWZZSTK-CQSZACIVSA-N 1 2 365.437 1.796 40 0 FDABLO Cc1cn(C)c([C@H]2CN(C(=O)Cc3c(C)[nH+]c4ccccn43)CCO2)n1 ZINC000257284466 571158156 /nfs/dbraw/zinc/15/81/56/571158156.db2.gz PCUQJZBQBXNVDD-MRXNPFEDSA-N 1 2 353.426 1.827 40 0 FDABLO CC(C)c1cc(C(=O)N2CCC[C@@](O)(C[NH+]3CCOCC3)CC2)n[nH]1 ZINC000257307768 571160459 /nfs/dbraw/zinc/16/04/59/571160459.db2.gz TUASIZUESNGSIF-SFHVURJKSA-N 1 2 350.463 1.223 40 0 FDABLO CCN1C(=O)CC[C@@H](C(=O)NCC[NH+]2CCOCC2)[C@@H]1c1ccc(C)cc1 ZINC000257325465 571162252 /nfs/dbraw/zinc/16/22/52/571162252.db2.gz WTABZNVNHRRYOK-QUCCMNQESA-N 1 2 373.497 1.743 40 0 FDABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H](c2cccc(N)n2)C1 ZINC000257333057 571162513 /nfs/dbraw/zinc/16/25/13/571162513.db2.gz XZXXXTWGKQTPNW-KRWDZBQOSA-N 1 2 351.410 1.922 40 0 FDABLO O=C(Cc1ccc2c(c1)CCC2)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257341731 571163179 /nfs/dbraw/zinc/16/31/79/571163179.db2.gz ZLTCIPNEVZTWKV-OAQYLSRUSA-N 1 2 351.450 1.870 40 0 FDABLO O=S(=O)(c1ccccc1)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306131918 571214165 /nfs/dbraw/zinc/21/41/65/571214165.db2.gz KTCFYFUSKHJHRG-USXIJHARSA-N 1 2 359.451 1.829 40 0 FDABLO CCOC(=O)[C@]1(CC)[NH2+][C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000229927353 203881728 /nfs/dbraw/zinc/88/17/28/203881728.db2.gz OWDXQNUTULMXQF-DEXNDLTESA-N 1 2 360.410 1.370 40 0 FDABLO OC[C@@H]1O[C@@H](n2ccc3c2nc[nH+]c3SCc2ccccc2)[C@@H](O)[C@@H]1O ZINC000004775769 204163042 /nfs/dbraw/zinc/16/30/42/204163042.db2.gz XAYGKALBZYZZRV-JTOWHCCKSA-N 1 2 373.434 1.335 40 0 FDABLO C[N@@H+]1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000012529875 206292533 /nfs/dbraw/zinc/29/25/33/206292533.db2.gz UUFOBOQDRAZJLV-ZFWWWQNUSA-N 1 2 350.382 1.702 40 0 biogenic,in-vitro FDABLO C[N@H+]1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000012529875 206292537 /nfs/dbraw/zinc/29/25/37/206292537.db2.gz UUFOBOQDRAZJLV-ZFWWWQNUSA-N 1 2 350.382 1.702 40 0 biogenic,in-vitro FDABLO CN(C)c1cc(N2CCC[C@](C)(C(=O)NCc3ccccn3)C2)nc[nH+]1 ZINC000257224992 132294930 /nfs/dbraw/zinc/29/49/30/132294930.db2.gz FEJUVQZUHPUWCB-IBGZPJMESA-N 1 2 354.458 1.861 40 0 FDABLO CN(C)c1cc(N2CCC[C@](C)(C(=O)NCc3ccccn3)C2)[nH+]cn1 ZINC000257224992 132294931 /nfs/dbraw/zinc/29/49/31/132294931.db2.gz FEJUVQZUHPUWCB-IBGZPJMESA-N 1 2 354.458 1.861 40 0 FDABLO Cc1c(CCC(=O)NC[C@@]2(O)CCCN(c3cccc[nH+]3)C2)cnn1C ZINC000257246635 132295559 /nfs/dbraw/zinc/29/55/59/132295559.db2.gz IVASCCWQJQYZQJ-IBGZPJMESA-N 1 2 357.458 1.204 40 0 FDABLO CNC(=O)c1cnn2c1nccc2C1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000257260118 132295769 /nfs/dbraw/zinc/29/57/69/132295769.db2.gz LBJHXMAQAHJKBS-UHFFFAOYSA-N 1 2 351.414 1.571 40 0 FDABLO CC1(C)Oc2ccc(S(=O)(=O)NCCCn3cc[nH+]c3)cc2NC1=O ZINC000012147110 518593551 /nfs/dbraw/zinc/59/35/51/518593551.db2.gz FZLIDDHIWVEFTK-UHFFFAOYSA-N 1 2 364.427 1.361 40 0 FDABLO Cc1nc(N2CCCC2)cc(CC2CCN(S(=O)(=O)N(C)C)CC2)[nH+]1 ZINC000019758663 518835311 /nfs/dbraw/zinc/83/53/11/518835311.db2.gz NLLXYONCFZRNCY-UHFFFAOYSA-N 1 2 367.519 1.446 40 0 FDABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccc(F)cc1)CC(=O)N2 ZINC000019819977 518837605 /nfs/dbraw/zinc/83/76/05/518837605.db2.gz YIRBTFBBEBMWTN-LBPRGKRZSA-N 1 2 370.388 1.863 40 0 FDABLO O=C(CN1CCOCC1)N1CCC(c2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000072378984 522227611 /nfs/dbraw/zinc/22/76/11/522227611.db2.gz DGGRKCXSUCZLJV-UHFFFAOYSA-N 1 2 355.442 1.306 40 0 FDABLO Cn1cc(C[N@H+]2Cc3nnn(C)c3[C@H](COCc3ccccc3)C2)cn1 ZINC000096060800 525130736 /nfs/dbraw/zinc/13/07/36/525130736.db2.gz JJOQQBAYIKSSMX-KRWDZBQOSA-N 1 2 352.442 1.865 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3nnn(C)c3[C@H](COCc3ccccc3)C2)cn1 ZINC000096060800 525130748 /nfs/dbraw/zinc/13/07/48/525130748.db2.gz JJOQQBAYIKSSMX-KRWDZBQOSA-N 1 2 352.442 1.865 40 0 FDABLO O=C1[C@@H]2CC[N@H+](Cc3nccs3)C[C@@H]2OCCN1Cc1ccncc1 ZINC000096107107 525135093 /nfs/dbraw/zinc/13/50/93/525135093.db2.gz DFRZBXOTNQZOSG-CVEARBPZSA-N 1 2 358.467 1.788 40 0 FDABLO O=C1[C@@H]2CC[N@@H+](Cc3nccs3)C[C@@H]2OCCN1Cc1ccncc1 ZINC000096107107 525135103 /nfs/dbraw/zinc/13/51/03/525135103.db2.gz DFRZBXOTNQZOSG-CVEARBPZSA-N 1 2 358.467 1.788 40 0 FDABLO CCOC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2cccc3c2OCCO3)C1 ZINC000096216546 525152608 /nfs/dbraw/zinc/15/26/08/525152608.db2.gz NHBOQKXYKCVOLV-AWEZNQCLSA-N 1 2 357.410 1.963 40 0 FDABLO C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NCCCCn1cc[nH+]c1 ZINC000100217261 525213486 /nfs/dbraw/zinc/21/34/86/525213486.db2.gz AURAOKRDZWLDII-TWOQFEAHSA-N 1 2 366.421 1.867 40 0 FDABLO COc1ccc(Cl)cc1C[NH+]1CCN(CCNS(C)(=O)=O)CC1 ZINC000107298577 525863057 /nfs/dbraw/zinc/86/30/57/525863057.db2.gz BNRIGEDDFJJJDO-UHFFFAOYSA-N 1 2 361.895 1.015 40 0 FDABLO COc1ccc(Cl)cc1CN1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000107298577 525863059 /nfs/dbraw/zinc/86/30/59/525863059.db2.gz BNRIGEDDFJJJDO-UHFFFAOYSA-N 1 2 361.895 1.015 40 0 FDABLO COCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2OC)Cc2ncn(C)c21 ZINC000248022644 537163157 /nfs/dbraw/zinc/16/31/57/537163157.db2.gz IPUCFFUWNOSXJM-HNNXBMFYSA-N 1 2 358.442 1.291 40 0 FDABLO COCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2OC)Cc2ncn(C)c21 ZINC000248022644 537163158 /nfs/dbraw/zinc/16/31/58/537163158.db2.gz IPUCFFUWNOSXJM-HNNXBMFYSA-N 1 2 358.442 1.291 40 0 FDABLO C[N@@H+]1CC[C@H](COCC2CC2)CC12CN(S(=O)(=O)c1cccnc1)C2 ZINC000248117767 537166820 /nfs/dbraw/zinc/16/68/20/537166820.db2.gz JCNKSOWBOGQWEJ-INIZCTEOSA-N 1 2 365.499 1.593 40 0 FDABLO C[N@H+]1CC[C@H](COCC2CC2)CC12CN(S(=O)(=O)c1cccnc1)C2 ZINC000248117767 537166822 /nfs/dbraw/zinc/16/68/22/537166822.db2.gz JCNKSOWBOGQWEJ-INIZCTEOSA-N 1 2 365.499 1.593 40 0 FDABLO CCOc1cc([C@@H](C2C(=O)NC(=S)N[C@H]2O)n2cc[nH+]c2)ccc1O ZINC000223812487 537535329 /nfs/dbraw/zinc/53/53/29/537535329.db2.gz LCEJYIXOGJTQTF-KBPBESRZSA-N 1 2 362.411 1.143 40 0 FDABLO CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225410637 537547571 /nfs/dbraw/zinc/54/75/71/537547571.db2.gz LFBSUTJENVPEOE-UHFFFAOYSA-N 1 2 370.434 1.710 40 0 FDABLO O=C(NC[C@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12)c1cscn1 ZINC000306129631 537603029 /nfs/dbraw/zinc/60/30/29/537603029.db2.gz IIOLMVSLAJNSDA-DMDPSCGWSA-N 1 2 350.469 1.476 40 0 FDABLO O=C(NC[C@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12)c1cscn1 ZINC000306129631 537603034 /nfs/dbraw/zinc/60/30/34/537603034.db2.gz IIOLMVSLAJNSDA-DMDPSCGWSA-N 1 2 350.469 1.476 40 0 FDABLO CC(C)CCC(=O)N1CC2(C1)C[N@H+](CC1CC1)[C@H](C(=O)N1CCC1)CO2 ZINC000575403572 550460490 /nfs/dbraw/zinc/46/04/90/550460490.db2.gz HFLBKEDDETVLCH-KRWDZBQOSA-N 1 2 363.502 1.347 40 0 FDABLO CC(C)CCC(=O)N1CC2(C1)C[N@@H+](CC1CC1)[C@H](C(=O)N1CCC1)CO2 ZINC000575403572 550460491 /nfs/dbraw/zinc/46/04/91/550460491.db2.gz HFLBKEDDETVLCH-KRWDZBQOSA-N 1 2 363.502 1.347 40 0 FDABLO Cc1cc(C[N@H+]2CCn3c(COc4cccnc4)nnc3C[C@H]2C)n[nH]1 ZINC000585097573 551569798 /nfs/dbraw/zinc/56/97/98/551569798.db2.gz MCCDHWJPGSZYER-CQSZACIVSA-N 1 2 353.430 1.730 40 0 FDABLO Cc1cc(C[N@@H+]2CCn3c(COc4cccnc4)nnc3C[C@H]2C)n[nH]1 ZINC000585097573 551569800 /nfs/dbraw/zinc/56/98/00/551569800.db2.gz MCCDHWJPGSZYER-CQSZACIVSA-N 1 2 353.430 1.730 40 0 FDABLO CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)[C@@H]2CCOC2)CC3)c1 ZINC000585111040 551573809 /nfs/dbraw/zinc/57/38/09/551573809.db2.gz BCMZHDXCFIYVRK-MRXNPFEDSA-N 1 2 368.437 1.930 40 0 FDABLO COc1ncc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(C)c3)C2)cn1 ZINC000585269251 551576596 /nfs/dbraw/zinc/57/65/96/551576596.db2.gz MVCVDUFTCGTOSF-LJQANCHMSA-N 1 2 359.426 1.436 40 0 FDABLO COc1ncc(C[N@H+]2CCOC[C@@](O)(COc3cccc(C)c3)C2)cn1 ZINC000585269251 551576598 /nfs/dbraw/zinc/57/65/98/551576598.db2.gz MVCVDUFTCGTOSF-LJQANCHMSA-N 1 2 359.426 1.436 40 0 FDABLO Cc1ccccc1C[C@@]1(CO)CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC000585275948 551577004 /nfs/dbraw/zinc/57/70/04/551577004.db2.gz BMCLBMUWSGSHBF-FQEVSTJZSA-N 1 2 357.454 1.804 40 0 FDABLO COCC[NH+]1CCN([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000585284170 551579488 /nfs/dbraw/zinc/57/94/88/551579488.db2.gz FRZTXWXPRZRGRS-IPMKNSEASA-N 1 2 352.450 1.751 40 0 FDABLO Cc1ccc(C)c(S(=O)(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000243533367 571043374 /nfs/dbraw/zinc/04/33/74/571043374.db2.gz OESBKRBGVAEFAT-HNNXBMFYSA-N 1 2 374.528 1.043 40 0 FDABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000257221956 571151516 /nfs/dbraw/zinc/15/15/16/571151516.db2.gz DRHDAZZFQFDEOL-MRXNPFEDSA-N 1 2 369.469 1.965 40 0 FDABLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000257221956 571151518 /nfs/dbraw/zinc/15/15/18/571151518.db2.gz DRHDAZZFQFDEOL-MRXNPFEDSA-N 1 2 369.469 1.965 40 0 FDABLO Cc1[nH+]cc(-c2nccnc2C2CCN(C(=O)c3cnccn3)CC2)n1C ZINC000257240414 571153396 /nfs/dbraw/zinc/15/33/96/571153396.db2.gz HTIVTAFYMWSUGN-UHFFFAOYSA-N 1 2 363.425 1.995 40 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132224227 /nfs/dbraw/zinc/22/42/27/132224227.db2.gz NWEYZNBCMXXYEB-UHFFFAOYSA-N 1 2 354.458 1.333 40 0 FDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CN(Cc1ccncc1)CC2 ZINC000096254008 132224228 /nfs/dbraw/zinc/22/42/28/132224228.db2.gz NWEYZNBCMXXYEB-UHFFFAOYSA-N 1 2 354.458 1.333 40 0 FDABLO Cc1cc(N2CCC[C@@](O)(CNC(=O)CCc3cccnc3)C2)nc[nH+]1 ZINC000257212902 132294911 /nfs/dbraw/zinc/29/49/11/132294911.db2.gz CFJVNQNGVCNVFH-LJQANCHMSA-N 1 2 355.442 1.260 40 0 FDABLO Cc1cc(N2CCC[C@](O)(CNC(=O)CCc3cccnc3)C2)nc[nH+]1 ZINC000257212901 132295200 /nfs/dbraw/zinc/29/52/00/132295200.db2.gz CFJVNQNGVCNVFH-IBGZPJMESA-N 1 2 355.442 1.260 40 0 FDABLO O=C(NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1n[nH]cc1Cl ZINC000012143832 518591558 /nfs/dbraw/zinc/59/15/58/518591558.db2.gz IJEMBIGGDLHINU-UHFFFAOYSA-N 1 2 366.824 1.916 40 0 FDABLO Cc1nc2cc(-c3ccco3)nn2c(NC[C@@H](O)C[NH+]2CCOCC2)c1C ZINC000019555720 518817401 /nfs/dbraw/zinc/81/74/01/518817401.db2.gz OKPCIOHTZGPRLZ-OAHLLOKOSA-N 1 2 371.441 1.711 40 0 FDABLO CN(C)c1ncc(C[N@@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)cn1 ZINC000019585548 518820855 /nfs/dbraw/zinc/82/08/55/518820855.db2.gz YDPQZSLVUFIUCK-UHFFFAOYSA-N 1 2 369.473 1.175 40 0 FDABLO CN(C)c1ncc(C[N@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)cn1 ZINC000019585548 518820863 /nfs/dbraw/zinc/82/08/63/518820863.db2.gz YDPQZSLVUFIUCK-UHFFFAOYSA-N 1 2 369.473 1.175 40 0 FDABLO Cc1cc2nc(C)c(CCC(=O)NC[C@@H](C)[NH+]3CCOCC3)c(C)n2n1 ZINC000019714095 518829670 /nfs/dbraw/zinc/82/96/70/518829670.db2.gz AOYWRSVBOWDDLF-CQSZACIVSA-N 1 2 359.474 1.424 40 0 FDABLO Cc1nc(N2CCC(C)CC2)ncc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000019714731 518830121 /nfs/dbraw/zinc/83/01/21/518830121.db2.gz FOKVFTQKHMUKLY-HNNXBMFYSA-N 1 2 361.490 1.472 40 0 FDABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 ZINC000020634650 518854936 /nfs/dbraw/zinc/85/49/36/518854936.db2.gz RLHXLAPRBKCXQI-XHDPSFHLSA-N 1 2 366.364 1.872 40 0 FDABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 ZINC000020634650 518854945 /nfs/dbraw/zinc/85/49/45/518854945.db2.gz RLHXLAPRBKCXQI-XHDPSFHLSA-N 1 2 366.364 1.872 40 0 FDABLO O=C1C[C@@H]([NH+]2CCC3(CC2)OCCO3)C(=O)N1c1ccc(F)c(F)c1 ZINC000020798980 518856898 /nfs/dbraw/zinc/85/68/98/518856898.db2.gz QWEVYJHVJUFYSC-CQSZACIVSA-N 1 2 352.337 1.436 40 0 FDABLO CCn1cc(C(=O)NCCC[NH+]2CCOCC2)c(=O)c2cc(OC)ccc21 ZINC000022236033 518894988 /nfs/dbraw/zinc/89/49/88/518894988.db2.gz HQCOHLCLAUATDH-UHFFFAOYSA-N 1 2 373.453 1.482 40 0 FDABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000245230809 521303565 /nfs/dbraw/zinc/30/35/65/521303565.db2.gz ZHTHIOFSQYRLSB-FLTUCWPJSA-N 1 2 364.829 1.927 40 0 FDABLO CCOC(=O)[C@]1(CC)[NH2+][C@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000245230302 521354324 /nfs/dbraw/zinc/35/43/24/521354324.db2.gz OWDXQNUTULMXQF-XTDOFWJNSA-N 1 2 360.410 1.370 40 0 FDABLO O=C1Oc2nc3cc4c(cc3cc2CN1CC[NH+]1CCOCC1)OCCO4 ZINC000072396361 522231845 /nfs/dbraw/zinc/23/18/45/522231845.db2.gz YVEUQXLFDSTANC-UHFFFAOYSA-N 1 2 371.393 1.653 40 0 FDABLO COc1ccc(CN2C[C@H]3C[N@H+](Cc4cnn(C)c4)CCN3C2=O)cc1 ZINC000085436198 524042460 /nfs/dbraw/zinc/04/24/60/524042460.db2.gz IVJJYXKAKRMHPM-QGZVFWFLSA-N 1 2 355.442 1.551 40 0 biogenic,in-vitro FDABLO COc1ccc(CN2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CCN3C2=O)cc1 ZINC000085436198 524042462 /nfs/dbraw/zinc/04/24/62/524042462.db2.gz IVJJYXKAKRMHPM-QGZVFWFLSA-N 1 2 355.442 1.551 40 0 biogenic,in-vitro FDABLO O=C1COC2(CC[NH+](Cc3nccs3)CC2)CN1Cc1ccccn1 ZINC000096049208 525128253 /nfs/dbraw/zinc/12/82/53/525128253.db2.gz NOWBFSJCHNZDRD-UHFFFAOYSA-N 1 2 358.467 1.932 40 0 FDABLO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@H](NC(=O)c2cnn(C)c2)CCO3)no1 ZINC000096205908 525148565 /nfs/dbraw/zinc/14/85/65/525148565.db2.gz CSDICZFMTKQFPV-CRAIPNDOSA-N 1 2 359.430 1.270 40 0 FDABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)c2cnn(C)c2)CCO3)no1 ZINC000096205908 525148573 /nfs/dbraw/zinc/14/85/73/525148573.db2.gz CSDICZFMTKQFPV-CRAIPNDOSA-N 1 2 359.430 1.270 40 0 FDABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)c2cnccn2)CCO3)no1 ZINC000096209225 525149691 /nfs/dbraw/zinc/14/96/91/525149691.db2.gz MSCOOPOGXPIWRF-RDTXWAMCSA-N 1 2 357.414 1.327 40 0 FDABLO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@H](NC(=O)c2cnccn2)CCO3)no1 ZINC000096209225 525149702 /nfs/dbraw/zinc/14/97/02/525149702.db2.gz MSCOOPOGXPIWRF-RDTXWAMCSA-N 1 2 357.414 1.327 40 0 FDABLO Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)NC(C)C)o1 ZINC000096250937 525156807 /nfs/dbraw/zinc/15/68/07/525156807.db2.gz BONNWLNSGJEUCU-ARFHVFGLSA-N 1 2 354.472 1.348 40 0 FDABLO Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)NC(C)C)o1 ZINC000096250937 525156820 /nfs/dbraw/zinc/15/68/20/525156820.db2.gz BONNWLNSGJEUCU-ARFHVFGLSA-N 1 2 354.472 1.348 40 0 FDABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000229925148 537577223 /nfs/dbraw/zinc/57/72/23/537577223.db2.gz NQUHMJFFFHSEEE-GPINWOSQSA-N 1 2 360.410 1.370 40 0 FDABLO CC(C)n1cc(C[N@H+]2Cc3ccnn3C[C@@H](CN3CCCC3=O)C2)cn1 ZINC000306128684 537601883 /nfs/dbraw/zinc/60/18/83/537601883.db2.gz HIEFGPGQTZEPOR-QGZVFWFLSA-N 1 2 356.474 1.915 40 0 FDABLO CC(C)n1cc(C[N@@H+]2Cc3ccnn3C[C@@H](CN3CCCC3=O)C2)cn1 ZINC000306128684 537601892 /nfs/dbraw/zinc/60/18/92/537601892.db2.gz HIEFGPGQTZEPOR-QGZVFWFLSA-N 1 2 356.474 1.915 40 0 FDABLO CS(=O)(=O)CC[C@@H]([NH3+])c1nc([C@H](c2ccccc2)n2cccc2)no1 ZINC000409438468 537850372 /nfs/dbraw/zinc/85/03/72/537850372.db2.gz CTYKYZROERTKJY-CABCVRRESA-N 1 2 360.439 1.943 40 0 FDABLO O=S1(=O)C[C@H](O)[C@H]([N@H+](CCO)C(c2ccccc2)c2ccccc2)C1 ZINC000575419593 550461889 /nfs/dbraw/zinc/46/18/89/550461889.db2.gz WUENSFWFGUZHKF-MSOLQXFVSA-N 1 2 361.463 1.228 40 0 FDABLO O=S1(=O)C[C@H](O)[C@H]([N@@H+](CCO)C(c2ccccc2)c2ccccc2)C1 ZINC000575419593 550461891 /nfs/dbraw/zinc/46/18/91/550461891.db2.gz WUENSFWFGUZHKF-MSOLQXFVSA-N 1 2 361.463 1.228 40 0 FDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COCc2cccnc2)[nH]n1 ZINC000585094938 551568236 /nfs/dbraw/zinc/56/82/36/551568236.db2.gz VITSITFHUIQKLB-QGZVFWFLSA-N 1 2 352.442 1.990 40 0 FDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COCc2cccnc2)n[nH]1 ZINC000585094938 551568238 /nfs/dbraw/zinc/56/82/38/551568238.db2.gz VITSITFHUIQKLB-QGZVFWFLSA-N 1 2 352.442 1.990 40 0 FDABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](CCNS(C)(=O)=O)C2)no1 ZINC000585095551 551568870 /nfs/dbraw/zinc/56/88/70/551568870.db2.gz WQCVYKUSSJNWKS-AWEZNQCLSA-N 1 2 352.460 1.356 40 0 FDABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](CCNS(C)(=O)=O)C2)no1 ZINC000585095551 551568872 /nfs/dbraw/zinc/56/88/72/551568872.db2.gz WQCVYKUSSJNWKS-AWEZNQCLSA-N 1 2 352.460 1.356 40 0 FDABLO C[C@@H]1C[C@H]1C(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000585096099 551569109 /nfs/dbraw/zinc/56/91/09/551569109.db2.gz QQQHDRYOTUMUEB-WQVCFCJDSA-N 1 2 358.467 1.843 40 0 FDABLO C[N@H+](CC(=O)N1CC[C@H](Cc2ccccc2)[C@H](O)C1)Cc1ccncc1 ZINC000585280683 551578363 /nfs/dbraw/zinc/57/83/63/551578363.db2.gz NGJXJKNPWLQKIQ-WOJBJXKFSA-N 1 2 353.466 1.966 40 0 FDABLO C[N@@H+](CC(=O)N1CC[C@H](Cc2ccccc2)[C@H](O)C1)Cc1ccncc1 ZINC000585280683 551578364 /nfs/dbraw/zinc/57/83/64/551578364.db2.gz NGJXJKNPWLQKIQ-WOJBJXKFSA-N 1 2 353.466 1.966 40 0 FDABLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H]1c1nccnc1Nc1ncccn1 ZINC000585290444 551579885 /nfs/dbraw/zinc/57/98/85/551579885.db2.gz BIFFQMRBDPWMCS-ISZGNANSSA-N 1 2 362.397 2.110 40 0 FDABLO COc1ccccc1CNc1cc(-c2cccnc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329004824 571106900 /nfs/dbraw/zinc/10/69/00/571106900.db2.gz KUMBMFLTZLSMSV-AWEZNQCLSA-N 1 2 365.437 1.796 40 0 FDABLO CN(C)C(=O)[C@@H]1CN(C(=O)CCc2cn(C)c3ccccc23)CC[N@@H+]1C ZINC000257207762 571150228 /nfs/dbraw/zinc/15/02/28/571150228.db2.gz BJCVHXZLHWRKTQ-SFHVURJKSA-N 1 2 356.470 1.342 40 0 FDABLO CN(C)C(=O)[C@@H]1CN(C(=O)CCc2cn(C)c3ccccc23)CC[N@H+]1C ZINC000257207762 571150230 /nfs/dbraw/zinc/15/02/30/571150230.db2.gz BJCVHXZLHWRKTQ-SFHVURJKSA-N 1 2 356.470 1.342 40 0 FDABLO CN(C)C(=O)[C@H]1CN(C(=O)CCc2cn(C)c3ccccc23)CC[N@@H+]1C ZINC000257207761 571150234 /nfs/dbraw/zinc/15/02/34/571150234.db2.gz BJCVHXZLHWRKTQ-GOSISDBHSA-N 1 2 356.470 1.342 40 0 FDABLO CN(C)C(=O)[C@H]1CN(C(=O)CCc2cn(C)c3ccccc23)CC[N@H+]1C ZINC000257207761 571150236 /nfs/dbraw/zinc/15/02/36/571150236.db2.gz BJCVHXZLHWRKTQ-GOSISDBHSA-N 1 2 356.470 1.342 40 0 FDABLO CCc1noc(CCC(=O)N(C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)n1 ZINC000257317104 571161338 /nfs/dbraw/zinc/16/13/38/571161338.db2.gz VIKWSXBQXHVWAO-SFHVURJKSA-N 1 2 359.430 1.059 40 0 FDABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccccc3OCC)C2=O)C1 ZINC000250527469 890617548 /nfs/dbraw/zinc/61/75/48/890617548.db2.gz YIAKWINIQFMXMA-ZBFHGGJFSA-N 1 2 374.437 1.992 40 0 FDABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccccc3OCC)C2=O)C1 ZINC000250527469 890617555 /nfs/dbraw/zinc/61/75/55/890617555.db2.gz YIAKWINIQFMXMA-ZBFHGGJFSA-N 1 2 374.437 1.992 40 0 FDABLO CCC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000100420292 206223825 /nfs/dbraw/zinc/22/38/25/206223825.db2.gz ZHTHIOFSQYRLSB-AHXJXLJNSA-N 1 2 364.829 1.927 40 0 FDABLO COC(=O)[C@@H]1Cc2[nH+]cn(C(C)C)c2CN1S(=O)(=O)c1cccs1 ZINC000012530296 206292219 /nfs/dbraw/zinc/29/22/19/206292219.db2.gz GPGFASKAAFAZRT-LBPRGKRZSA-N 1 2 369.468 1.814 40 0 biogenic,in-vitro FDABLO O=C1CO[C@@]2(CN1c1cccc(F)c1)COCCN(c1cccc[nH+]1)C2 ZINC000096240114 132223666 /nfs/dbraw/zinc/22/36/66/132223666.db2.gz DFDDJARAODDFFD-IBGZPJMESA-N 1 2 357.385 1.860 40 0 FDABLO Fc1ccc(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000225218211 132284523 /nfs/dbraw/zinc/28/45/23/132284523.db2.gz VWIYTAILYYQZKH-UHFFFAOYSA-N 1 2 360.462 1.724 40 0 FDABLO Cc1ccn(CCC(=O)N(C)C[C@@]2(O)CCCN(c3cccc[nH+]3)C2)n1 ZINC000257326254 132297064 /nfs/dbraw/zinc/29/70/64/132297064.db2.gz WWMKEXVDNKHQKC-IBGZPJMESA-N 1 2 357.458 1.467 40 0 FDABLO Cc1noc(C)c1S(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000072576966 136149855 /nfs/dbraw/zinc/14/98/55/136149855.db2.gz GRFCUJTZBQZJKR-UHFFFAOYSA-N 1 2 350.444 1.844 40 0 FDABLO CC1CCN(C(=O)C[NH+]2CCC3(CC2)NC(=O)c2ccccc2O3)CC1 ZINC000012183451 518595192 /nfs/dbraw/zinc/59/51/92/518595192.db2.gz GSBXAPMUPXYWER-UHFFFAOYSA-N 1 2 357.454 1.859 40 0 FDABLO Cc1nc(N2CCCC2)cc(CC2CCN(C(=O)CCC(N)=O)CC2)[nH+]1 ZINC000019758852 518835427 /nfs/dbraw/zinc/83/54/27/518835427.db2.gz XHKMDFVJYWASEL-UHFFFAOYSA-N 1 2 359.474 1.432 40 0 FDABLO CCOC(=O)N1CC[NH+](C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000026533345 519127631 /nfs/dbraw/zinc/12/76/31/519127631.db2.gz JCEKTDUGJYIOKN-INIZCTEOSA-N 1 2 365.430 1.159 40 0 FDABLO CC[NH+]1CCN(S(=O)(=O)c2cncc(Br)c2NC)CC1 ZINC000072210919 522202854 /nfs/dbraw/zinc/20/28/54/522202854.db2.gz UDOHCJLMGJKFAX-UHFFFAOYSA-N 1 2 363.281 1.212 40 0 FDABLO CC(=O)Nc1ccc(Oc2nccnc2[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000072361823 522225678 /nfs/dbraw/zinc/22/56/78/522225678.db2.gz YEGYDFCYONEUPE-CQSZACIVSA-N 1 2 369.425 1.892 40 0 FDABLO CC(=O)Nc1ccc(Oc2nccnc2[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC000072361823 522225685 /nfs/dbraw/zinc/22/56/85/522225685.db2.gz YEGYDFCYONEUPE-CQSZACIVSA-N 1 2 369.425 1.892 40 0 FDABLO C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N[C@@H]1[C@@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000060016504 522345954 /nfs/dbraw/zinc/34/59/54/522345954.db2.gz LKMOLOHEROWXEQ-TXTPUJOMSA-N 1 2 355.482 1.895 40 0 FDABLO C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N[C@@H]1[C@@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000060016504 522345966 /nfs/dbraw/zinc/34/59/66/522345966.db2.gz LKMOLOHEROWXEQ-TXTPUJOMSA-N 1 2 355.482 1.895 40 0 FDABLO O=C(c1ccoc1)N1CCOC[C@@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000096160291 525144322 /nfs/dbraw/zinc/14/43/22/525144322.db2.gz RWTYGNGLAUITAZ-SJLPKXTDSA-N 1 2 350.415 1.002 40 0 FDABLO Cc1cccc(C[N@@H+]2CCO[C@]3(C2)COCCN(c2cccnc2)C3)n1 ZINC000096229458 525155282 /nfs/dbraw/zinc/15/52/82/525155282.db2.gz QTONPQDBRYUOHR-FQEVSTJZSA-N 1 2 354.454 1.893 40 0 FDABLO Cc1cccc(C[N@H+]2CCO[C@]3(C2)COCCN(c2cccnc2)C3)n1 ZINC000096229458 525155289 /nfs/dbraw/zinc/15/52/89/525155289.db2.gz QTONPQDBRYUOHR-FQEVSTJZSA-N 1 2 354.454 1.893 40 0 FDABLO CC[N@@H+]1C[C@@H]2c3nc(NCc4cccnc4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096252087 525157579 /nfs/dbraw/zinc/15/75/79/525157579.db2.gz CGYLMDNVCNZCHQ-LSDHHAIUSA-N 1 2 359.455 1.200 40 0 FDABLO CC[N@H+]1C[C@@H]2c3nc(NCc4cccnc4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096252087 525157583 /nfs/dbraw/zinc/15/75/83/525157583.db2.gz CGYLMDNVCNZCHQ-LSDHHAIUSA-N 1 2 359.455 1.200 40 0 FDABLO CCC[C@H](c1nnnn1CCOC)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000057670011 535723045 /nfs/dbraw/zinc/72/30/45/535723045.db2.gz UQCDKHBQAIXSND-GOSISDBHSA-N 1 2 374.489 1.992 40 0 FDABLO O=C(NC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc3c(c2)OCO3)C1)C1CC1 ZINC000247489537 537125418 /nfs/dbraw/zinc/12/54/18/537125418.db2.gz LWTOZCFNZOOQDP-HNNXBMFYSA-N 1 2 368.437 1.770 40 0 FDABLO O=C(NC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc3c(c2)OCO3)C1)C1CC1 ZINC000247489537 537125421 /nfs/dbraw/zinc/12/54/21/537125421.db2.gz LWTOZCFNZOOQDP-HNNXBMFYSA-N 1 2 368.437 1.770 40 0 FDABLO Cc1cccc(C[NH+]2CC3(C2)CC[C@H](CNC(=O)c2cnccn2)CO3)n1 ZINC000247882473 537156322 /nfs/dbraw/zinc/15/63/22/537156322.db2.gz RNWBBGYYXUWIFC-MRXNPFEDSA-N 1 2 367.453 1.591 40 0 FDABLO Cc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccnn2C)o1 ZINC000248035463 537163917 /nfs/dbraw/zinc/16/39/17/537163917.db2.gz MRTUZZZMFGNNNK-HNNXBMFYSA-N 1 2 358.442 1.733 40 0 FDABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@@H]2CCNC(=O)c1cnccn1 ZINC000248041446 537163946 /nfs/dbraw/zinc/16/39/46/537163946.db2.gz OULQWJAGWRUSAW-AWEZNQCLSA-N 1 2 373.482 1.653 40 0 FDABLO Cc1ccc(C(=O)N2Cc3c[nH+]cn3[C@H](CNS(C)(=O)=O)C2)cc1F ZINC000248089504 537166413 /nfs/dbraw/zinc/16/64/13/537166413.db2.gz GLFIVBYRUHKXHA-CQSZACIVSA-N 1 2 366.418 1.077 40 0 FDABLO COc1ccc(C[N@H+]2Cc3ncnn3C[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000306124748 537601084 /nfs/dbraw/zinc/60/10/84/537601084.db2.gz BYHJTDCQYFJGBH-MRXNPFEDSA-N 1 2 355.442 1.541 40 0 FDABLO COc1ccc(C[N@@H+]2Cc3ncnn3C[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000306124748 537601087 /nfs/dbraw/zinc/60/10/87/537601087.db2.gz BYHJTDCQYFJGBH-MRXNPFEDSA-N 1 2 355.442 1.541 40 0 FDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2COCc2ccncc2)[nH]n1 ZINC000585094825 551568370 /nfs/dbraw/zinc/56/83/70/551568370.db2.gz OFZGMSZHZCROIM-KRWDZBQOSA-N 1 2 352.442 1.990 40 0 FDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2COCc2ccncc2)n[nH]1 ZINC000585094825 551568373 /nfs/dbraw/zinc/56/83/73/551568373.db2.gz OFZGMSZHZCROIM-KRWDZBQOSA-N 1 2 352.442 1.990 40 0 FDABLO O=S(=O)(NC[C@@H]1CCC2(C[NH+](Cc3ccc(F)cc3)C2)OC1)C1CC1 ZINC000585103934 551572046 /nfs/dbraw/zinc/57/20/46/551572046.db2.gz DXFIVUKVDTWMCI-HNNXBMFYSA-N 1 2 368.474 1.889 40 0 FDABLO Cc1cccc(OC[C@@]2(O)CCC[N@@H+](CC(=O)Nc3cnn(C)c3)C2)c1 ZINC000585276565 551577433 /nfs/dbraw/zinc/57/74/33/551577433.db2.gz MTFCCLLHGJNQAW-LJQANCHMSA-N 1 2 358.442 1.573 40 0 FDABLO Cc1cccc(OC[C@@]2(O)CCC[N@H+](CC(=O)Nc3cnn(C)c3)C2)c1 ZINC000585276565 551577434 /nfs/dbraw/zinc/57/74/34/551577434.db2.gz MTFCCLLHGJNQAW-LJQANCHMSA-N 1 2 358.442 1.573 40 0 FDABLO Cc1cncc(OCC[C@@H]2CCOC3(C[NH+](Cc4cnn(C)c4)C3)C2)n1 ZINC000306142769 571042593 /nfs/dbraw/zinc/04/25/93/571042593.db2.gz XJATUNPBIJZARF-MRXNPFEDSA-N 1 2 357.458 1.969 40 0 FDABLO CC[C@H](C)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2ccccn2)n1 ZINC000328985306 571106301 /nfs/dbraw/zinc/10/63/01/571106301.db2.gz HSNVVBCZNUOWOU-HNNXBMFYSA-N 1 2 356.474 1.337 40 0 FDABLO C[C@@H](CO)Nc1nc(NCc2cccc(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329045504 571108421 /nfs/dbraw/zinc/10/84/21/571108421.db2.gz TVYDSKNRLAVKNR-ZDUSSCGKSA-N 1 2 353.401 1.926 40 0 FDABLO C[C@H](CO)Nc1nc(NCc2ccccc2F)cc(-c2cccnc2)[nH+]1 ZINC000329049061 571108788 /nfs/dbraw/zinc/10/87/88/571108788.db2.gz UNJKUXZQBUCOER-CYBMUJFWSA-N 1 2 353.401 1.926 40 0 FDABLO CC(C)(C)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2ccccn2)n1 ZINC000329053364 571128659 /nfs/dbraw/zinc/12/86/59/571128659.db2.gz VGAURNDVSOTXFI-UHFFFAOYSA-N 1 2 356.474 2.493 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)c2[nH]c3c(cccc3OC)c2C)CC[N@@H+]1C(C)C ZINC000257244756 571153793 /nfs/dbraw/zinc/15/37/93/571153793.db2.gz IMQFRAJRHFYDQF-HNNXBMFYSA-N 1 2 372.469 1.766 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)c2[nH]c3c(cccc3OC)c2C)CC[N@H+]1C(C)C ZINC000257244756 571153795 /nfs/dbraw/zinc/15/37/95/571153795.db2.gz IMQFRAJRHFYDQF-HNNXBMFYSA-N 1 2 372.469 1.766 40 0 FDABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CCc3cccnc3)C2)nc[nH+]1 ZINC000257280756 571157532 /nfs/dbraw/zinc/15/75/32/571157532.db2.gz OMFVRMLQSUARQU-LJQANCHMSA-N 1 2 355.442 1.212 40 0 FDABLO Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000007881114 204310450 /nfs/dbraw/zinc/31/04/50/204310450.db2.gz PBYXQBYWKUIICU-UHFFFAOYSA-N 1 2 351.472 1.167 40 0 FDABLO C[N@H+](CC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Cc1ccccn1 ZINC000019655282 204698399 /nfs/dbraw/zinc/69/83/99/204698399.db2.gz MEKDIKLQJDJCAQ-INIZCTEOSA-N 1 2 356.401 1.574 40 0 FDABLO C[N@@H+](CC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Cc1ccccn1 ZINC000019655282 204698404 /nfs/dbraw/zinc/69/84/04/204698404.db2.gz MEKDIKLQJDJCAQ-INIZCTEOSA-N 1 2 356.401 1.574 40 0 FDABLO C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000045973282 205127127 /nfs/dbraw/zinc/12/71/27/205127127.db2.gz ZPBAIGYMFJRBHS-OAHLLOKOSA-N 1 2 361.486 1.551 40 0 FDABLO CNC(=O)c1cnn2c1nccc2[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257276863 132296366 /nfs/dbraw/zinc/29/63/66/132296366.db2.gz NVKKOIUBCXTICU-CYBMUJFWSA-N 1 2 351.414 1.571 40 0 FDABLO Cc1nn(CC(=O)NCCCn2cc[nH+]c2)c(=O)c2cc3sccc3n21 ZINC000012087405 518587427 /nfs/dbraw/zinc/58/74/27/518587427.db2.gz FVMAWXGVTDUDSO-UHFFFAOYSA-N 1 2 370.438 1.422 40 0 FDABLO O=C1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(O)cc1 ZINC000017877464 518788404 /nfs/dbraw/zinc/78/84/04/518788404.db2.gz QLHIRBLHHAYYDY-GOSISDBHSA-N 1 2 369.396 1.985 40 0 FDABLO COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1c[nH+]cn1C)CC3 ZINC000019291840 518805757 /nfs/dbraw/zinc/80/57/57/518805757.db2.gz MNSKDJDLGINSNP-UHFFFAOYSA-N 1 2 369.425 1.206 40 0 FDABLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000019496213 518811750 /nfs/dbraw/zinc/81/17/50/518811750.db2.gz RTVJRJLMDQXMFP-ZBFHGGJFSA-N 1 2 373.501 1.423 40 0 FDABLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000019496213 518811757 /nfs/dbraw/zinc/81/17/57/518811757.db2.gz RTVJRJLMDQXMFP-ZBFHGGJFSA-N 1 2 373.501 1.423 40 0 FDABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019502009 518815319 /nfs/dbraw/zinc/81/53/19/518815319.db2.gz YEZNKYFKDZHBMC-XLPNERPQSA-N 1 2 360.410 1.370 40 0 FDABLO O=C(C[N@@H+]1CCC[C@@H](NC(=O)c2cnccn2)CC1)Nc1nccs1 ZINC000019749192 518833491 /nfs/dbraw/zinc/83/34/91/518833491.db2.gz OUBRLNDTXDOHQY-GFCCVEGCSA-N 1 2 360.443 1.156 40 0 FDABLO O=C(C[N@H+]1CCC[C@@H](NC(=O)c2cnccn2)CC1)Nc1nccs1 ZINC000019749192 518833498 /nfs/dbraw/zinc/83/34/98/518833498.db2.gz OUBRLNDTXDOHQY-GFCCVEGCSA-N 1 2 360.443 1.156 40 0 FDABLO C[NH+]1CCN(S(=O)(=O)c2c[nH]cc(Br)c2=S)CC1 ZINC000072210917 522201892 /nfs/dbraw/zinc/20/18/92/522201892.db2.gz AGMHZDUKIIHSAX-UHFFFAOYSA-N 1 2 352.279 1.069 40 0 FDABLO CCc1[nH+]ccn1-c1cccc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 ZINC000072378765 522228266 /nfs/dbraw/zinc/22/82/66/522228266.db2.gz QPLBNDKTXILOFI-UHFFFAOYSA-N 1 2 363.487 1.816 40 0 FDABLO Cn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(-n4cc[nH+]c4)n3)C2)c1 ZINC000072378815 522228554 /nfs/dbraw/zinc/22/85/54/522228554.db2.gz MRLRFYLVCRMVMJ-AWEZNQCLSA-N 1 2 372.454 1.569 40 0 FDABLO Cn1cc(C[N@H+]2Cc3ncn(C)c3[C@H](COCC3CCOCC3)C2)cn1 ZINC000096044974 525128172 /nfs/dbraw/zinc/12/81/72/525128172.db2.gz CEPQGUGLKGIHDN-KRWDZBQOSA-N 1 2 359.474 1.696 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3ncn(C)c3[C@H](COCC3CCOCC3)C2)cn1 ZINC000096044974 525128178 /nfs/dbraw/zinc/12/81/78/525128178.db2.gz CEPQGUGLKGIHDN-KRWDZBQOSA-N 1 2 359.474 1.696 40 0 FDABLO Cc1cc(C(=O)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)on1 ZINC000096207455 525148962 /nfs/dbraw/zinc/14/89/62/525148962.db2.gz JRCKJIMCKYCICX-CQSZACIVSA-N 1 2 353.382 1.926 40 0 FDABLO CCOC[C@H]1Cn2c[nH+]cc2CN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000096207344 525149174 /nfs/dbraw/zinc/14/91/74/525149174.db2.gz URGGQUQQZZVNPZ-OAHLLOKOSA-N 1 2 357.410 1.849 40 0 FDABLO CCS(=O)(=O)N1CCC[C@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096229332 525154975 /nfs/dbraw/zinc/15/49/75/525154975.db2.gz MPVLIZARASRZFZ-KRWDZBQOSA-N 1 2 353.488 1.346 40 0 FDABLO CCS(=O)(=O)N1CCC[C@]2(C1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096229332 525154981 /nfs/dbraw/zinc/15/49/81/525154981.db2.gz MPVLIZARASRZFZ-KRWDZBQOSA-N 1 2 353.488 1.346 40 0 FDABLO O=S(=O)(C1CC1)N1CCC[C@@]2(C1)COCCN(c1cccc[nH+]1)C2 ZINC000096229062 525155492 /nfs/dbraw/zinc/15/54/92/525155492.db2.gz VKILJMITUWYJOG-QGZVFWFLSA-N 1 2 351.472 1.493 40 0 FDABLO Cc1cc(C(=O)N2CC[C@H]3OCC[N@H+](Cc4cccnc4)[C@H]3CC2)no1 ZINC000096249394 525156040 /nfs/dbraw/zinc/15/60/40/525156040.db2.gz PITJUEUJSVIBOT-ZWKOTPCHSA-N 1 2 356.426 1.884 40 0 FDABLO Cc1cc(C(=O)N2CC[C@H]3OCC[N@@H+](Cc4cccnc4)[C@H]3CC2)no1 ZINC000096249394 525156050 /nfs/dbraw/zinc/15/60/50/525156050.db2.gz PITJUEUJSVIBOT-ZWKOTPCHSA-N 1 2 356.426 1.884 40 0 FDABLO CC(C)CNC(=O)[C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000096250962 525157091 /nfs/dbraw/zinc/15/70/91/525157091.db2.gz KLIHEQBGGAINLG-GVDBMIGSSA-N 1 2 365.499 1.089 40 0 FDABLO CC(C)CNC(=O)[C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000096250962 525157100 /nfs/dbraw/zinc/15/71/00/525157100.db2.gz KLIHEQBGGAINLG-GVDBMIGSSA-N 1 2 365.499 1.089 40 0 FDABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3OC)C2=O)CC1 ZINC000104346187 525407507 /nfs/dbraw/zinc/40/75/07/525407507.db2.gz WGBUMFUMMISSLS-OAHLLOKOSA-N 1 2 360.410 1.602 40 0 FDABLO Cc1cc(C)nc(Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)n1 ZINC000170583748 525637247 /nfs/dbraw/zinc/63/72/47/525637247.db2.gz ZWRLDSYWEDNUMS-UHFFFAOYSA-N 1 2 355.442 1.899 40 0 FDABLO CN(C)C(=O)CO[C@H]1Cn2nccc2C[N@H+](CCOCc2ccccc2)C1 ZINC000247967446 537160209 /nfs/dbraw/zinc/16/02/09/537160209.db2.gz GVHRJBXJHCACLY-LJQANCHMSA-N 1 2 372.469 1.389 40 0 FDABLO CN(C)C(=O)CO[C@H]1Cn2nccc2C[N@@H+](CCOCc2ccccc2)C1 ZINC000247967446 537160210 /nfs/dbraw/zinc/16/02/10/537160210.db2.gz GVHRJBXJHCACLY-LJQANCHMSA-N 1 2 372.469 1.389 40 0 FDABLO CN1CC2(C[NH+](CCOCc3ccccc3)C2)OC[C@H]1C(=O)N1CCCC1 ZINC000248027550 537163506 /nfs/dbraw/zinc/16/35/06/537163506.db2.gz MZSUAPCNQVGOGU-IBGZPJMESA-N 1 2 373.497 1.211 40 0 FDABLO CN(C)c1cc(N2CC3(C2)CC[C@H](CNC(=O)CC2CC2)CO3)nc[nH+]1 ZINC000248100784 537166361 /nfs/dbraw/zinc/16/63/61/537166361.db2.gz HLNFOUNGNZFMKK-OAHLLOKOSA-N 1 2 359.474 1.444 40 0 FDABLO CN(C)c1cc(N2CC3(C2)CC[C@H](CNC(=O)CC2CC2)CO3)[nH+]cn1 ZINC000248100784 537166362 /nfs/dbraw/zinc/16/63/62/537166362.db2.gz HLNFOUNGNZFMKK-OAHLLOKOSA-N 1 2 359.474 1.444 40 0 FDABLO Cc1cc(Br)cnc1NC(=S)NCC[NH+]1CCOCC1 ZINC000223892447 537536789 /nfs/dbraw/zinc/53/67/89/537536789.db2.gz YKYYOFTXSFUIBJ-UHFFFAOYSA-N 1 2 359.293 1.771 40 0 FDABLO C[N@@H+]1CC[C@@H](NCc2ccccc2)[C@]2(CC(C(=O)NCC3CC3)=NO2)C1 ZINC000306123775 537600850 /nfs/dbraw/zinc/60/08/50/537600850.db2.gz AWJAUMPQCRFYIS-QUCCMNQESA-N 1 2 356.470 1.522 40 0 FDABLO C[N@H+]1CC[C@@H](NCc2ccccc2)[C@]2(CC(C(=O)NCC3CC3)=NO2)C1 ZINC000306123775 537600856 /nfs/dbraw/zinc/60/08/56/537600856.db2.gz AWJAUMPQCRFYIS-QUCCMNQESA-N 1 2 356.470 1.522 40 0 FDABLO CC(C)CCC(=O)N1CC2(C1)C[N@H+](CC1CC1)[C@@H](C(=O)N1CCC1)CO2 ZINC000575403573 550460449 /nfs/dbraw/zinc/46/04/49/550460449.db2.gz HFLBKEDDETVLCH-QGZVFWFLSA-N 1 2 363.502 1.347 40 0 FDABLO CC(C)CCC(=O)N1CC2(C1)C[N@@H+](CC1CC1)[C@@H](C(=O)N1CCC1)CO2 ZINC000575403573 550460451 /nfs/dbraw/zinc/46/04/51/550460451.db2.gz HFLBKEDDETVLCH-QGZVFWFLSA-N 1 2 363.502 1.347 40 0 FDABLO COCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000585105005 551572223 /nfs/dbraw/zinc/57/22/23/551572223.db2.gz XQZXLDRHNWQDEX-SFHVURJKSA-N 1 2 354.397 1.662 40 0 FDABLO COCCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000585105005 551572225 /nfs/dbraw/zinc/57/22/25/551572225.db2.gz XQZXLDRHNWQDEX-SFHVURJKSA-N 1 2 354.397 1.662 40 0 FDABLO O=C(N1CC[C@H]2O[C@@H](COCC[NH+]3CCOCC3)CC[C@H]21)C1(F)CCC1 ZINC000585108462 551572877 /nfs/dbraw/zinc/57/28/77/551572877.db2.gz PCHJORIMMJRMMS-BRWVUGGUSA-N 1 2 370.465 1.376 40 0 FDABLO C[C@H](C(=O)NCCCn1cc[nH+]c1)N(c1ccccc1)S(C)(=O)=O ZINC000408622890 570588461 /nfs/dbraw/zinc/58/84/61/570588461.db2.gz WRJIXYJGAVXZGO-CQSZACIVSA-N 1 2 350.444 1.244 40 0 FDABLO CS(=O)(=O)N(CCCC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000408682303 570643939 /nfs/dbraw/zinc/64/39/39/570643939.db2.gz XAMQQMKZKIKOTK-UHFFFAOYSA-N 1 2 364.471 1.636 40 0 FDABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1NC(=O)CC ZINC000408697891 570651978 /nfs/dbraw/zinc/65/19/78/570651978.db2.gz MHWFQBBXAOTBIR-UHFFFAOYSA-N 1 2 355.460 1.370 40 0 FDABLO CN(C)C(=O)NC[C@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000306135450 571039676 /nfs/dbraw/zinc/03/96/76/571039676.db2.gz ORAOVPRDKCDITH-SFHVURJKSA-N 1 2 357.458 1.728 40 0 FDABLO CN(C)C(=O)NC[C@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000306135450 571039682 /nfs/dbraw/zinc/03/96/82/571039682.db2.gz ORAOVPRDKCDITH-SFHVURJKSA-N 1 2 357.458 1.728 40 0 FDABLO Cc1cc(CN2Cc3c[nH+]cn3[C@H](COCC(=O)N3CCCC3)C2)n(C)n1 ZINC000306142960 571042635 /nfs/dbraw/zinc/04/26/35/571042635.db2.gz XPEGJAVUYOGHQO-SFHVURJKSA-N 1 2 372.473 1.121 40 0 FDABLO CC(C)[C@H](CO)Nc1nc(NC[C@@H]2CCCO2)cc(-c2ccncc2)[nH+]1 ZINC000329066295 571130119 /nfs/dbraw/zinc/13/01/19/571130119.db2.gz XZGTUEHMQSNHPY-RDJZCZTQSA-N 1 2 357.458 2.558 40 0 FDABLO Cc1noc(C)c1C[N@H+]1Cc2ccnn2C[C@@H](OCC(=O)N2CCCC2)C1 ZINC000251998394 571130437 /nfs/dbraw/zinc/13/04/37/571130437.db2.gz LMASEFLQOMCGDJ-KRWDZBQOSA-N 1 2 373.457 1.511 40 0 FDABLO Cc1noc(C)c1C[N@@H+]1Cc2ccnn2C[C@@H](OCC(=O)N2CCCC2)C1 ZINC000251998394 571130441 /nfs/dbraw/zinc/13/04/41/571130441.db2.gz LMASEFLQOMCGDJ-KRWDZBQOSA-N 1 2 373.457 1.511 40 0 FDABLO Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23C[NH+](C2CCCC2)C3)n1 ZINC000253479465 571135795 /nfs/dbraw/zinc/13/57/95/571135795.db2.gz QNJCQWSAKWCMDZ-AWEZNQCLSA-N 1 2 351.472 1.596 40 0 FDABLO Cc1c2ccccc2oc1C(=O)N(C)[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257295887 571158988 /nfs/dbraw/zinc/15/89/88/571158988.db2.gz RAHDEWGPQAXZLN-IIDMSEBBSA-N 1 2 371.437 1.137 40 0 FDABLO Cc1c2ccccc2oc1C(=O)N(C)[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257295887 571158991 /nfs/dbraw/zinc/15/89/91/571158991.db2.gz RAHDEWGPQAXZLN-IIDMSEBBSA-N 1 2 371.437 1.137 40 0 FDABLO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCC[N@H+]2CC(=O)N(C)C)n1 ZINC000257301093 571159498 /nfs/dbraw/zinc/15/94/98/571159498.db2.gz RWZBTVXNGTUIQN-AWEZNQCLSA-N 1 2 355.446 1.852 40 0 FDABLO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000257301093 571159502 /nfs/dbraw/zinc/15/95/02/571159502.db2.gz RWZBTVXNGTUIQN-AWEZNQCLSA-N 1 2 355.446 1.852 40 0 FDABLO Cc1nn(C)c(C)c1CC(=O)N(C)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257319705 571161388 /nfs/dbraw/zinc/16/13/88/571161388.db2.gz VTRSOFJICYPWET-IBGZPJMESA-N 1 2 357.458 1.074 40 0 FDABLO Cn1ccc(NC(=O)C[N@@H+]2CCC[C@](O)(COc3ccc(F)cc3)C2)n1 ZINC000257340438 571163196 /nfs/dbraw/zinc/16/31/96/571163196.db2.gz ZGCVVFBIKRCXRN-GOSISDBHSA-N 1 2 362.405 1.404 40 0 FDABLO Cn1ccc(NC(=O)C[N@H+]2CCC[C@](O)(COc3ccc(F)cc3)C2)n1 ZINC000257340438 571163199 /nfs/dbraw/zinc/16/31/99/571163199.db2.gz ZGCVVFBIKRCXRN-GOSISDBHSA-N 1 2 362.405 1.404 40 0 FDABLO COc1cc(C[NH+]2CCN(c3nccs3)CC2)ccc1OCC(N)=O ZINC000019658702 204698629 /nfs/dbraw/zinc/69/86/29/204698629.db2.gz KRGUITMJAUYDGT-UHFFFAOYSA-N 1 2 362.455 1.338 40 0 FDABLO O=S(=O)(c1ccc(F)cc1)N1CC[C@]2(C[C@@H](n3cc[nH+]c3)CO2)C1 ZINC000107786271 206022627 /nfs/dbraw/zinc/02/26/27/206022627.db2.gz UUKPOZLZXYSINW-ZBFHGGJFSA-N 1 2 351.403 1.817 40 0 FDABLO CCN1c2ccccc2[C@@]2(NC(=N)NC(Nc3ccc(F)cc3)=[NH+]2)C1=O ZINC000019330813 206327323 /nfs/dbraw/zinc/32/73/23/206327323.db2.gz JROVQNRKWSCTSE-SFHVURJKSA-N 1 2 352.373 1.731 40 0 FDABLO C[N@@H+]1C[C@@H](NC(=O)c2cncnc2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000020464201 206332538 /nfs/dbraw/zinc/33/25/38/206332538.db2.gz HTUSGRSDRQCZCS-KBPBESRZSA-N 1 2 351.370 1.097 40 0 biogenic,in-vitro FDABLO C[N@H+]1C[C@@H](NC(=O)c2cncnc2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000020464201 206332539 /nfs/dbraw/zinc/33/25/39/206332539.db2.gz HTUSGRSDRQCZCS-KBPBESRZSA-N 1 2 351.370 1.097 40 0 biogenic,in-vitro FDABLO CCS(=O)(=O)NCC[C@H]1CCOC12C[NH+](Cc1scnc1C)C2 ZINC000248066854 206568692 /nfs/dbraw/zinc/56/86/92/206568692.db2.gz XFAKLWZCEUYSRL-ZDUSSCGKSA-N 1 2 359.517 1.372 40 0 FDABLO CC(C)OC(=O)C[NH+]1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 ZINC000012220251 518596062 /nfs/dbraw/zinc/59/60/62/518596062.db2.gz REBHLZYRRAYIGP-UHFFFAOYSA-N 1 2 359.426 1.175 40 0 FDABLO CN(c1ccc2sc(C(=O)N3CC[NH+](C)CC3)cc2c1)S(C)(=O)=O ZINC000013609808 518661753 /nfs/dbraw/zinc/66/17/53/518661753.db2.gz FLXDNHCDXUFEAU-UHFFFAOYSA-N 1 2 367.496 1.685 40 0 FDABLO O=C(c1nccc2ccccc21)N1CCC[C@@H](c2nnc3n2CC[NH2+]C3)C1 ZINC000019710986 518827242 /nfs/dbraw/zinc/82/72/42/518827242.db2.gz FCNJXWPYQXQIAV-OAHLLOKOSA-N 1 2 362.437 1.949 40 0 FDABLO Cc1ncsc1C(=O)N1CCc2nnc([C@H]3CCCC[N@H+]3C)n2CC1 ZINC000019706438 518827653 /nfs/dbraw/zinc/82/76/53/518827653.db2.gz QYPDYBZBMLJJLL-CYBMUJFWSA-N 1 2 360.487 1.898 40 0 FDABLO Cc1ncsc1C(=O)N1CCc2nnc([C@H]3CCCC[N@@H+]3C)n2CC1 ZINC000019706438 518827662 /nfs/dbraw/zinc/82/76/62/518827662.db2.gz QYPDYBZBMLJJLL-CYBMUJFWSA-N 1 2 360.487 1.898 40 0 FDABLO Cc1nn2c(nccc2[C@H]2CCN(C(=O)C(C)C)C2)c1C[NH+]1CCOCC1 ZINC000019707956 518827839 /nfs/dbraw/zinc/82/78/39/518827839.db2.gz XEMPGSVJTFMEOU-INIZCTEOSA-N 1 2 371.485 1.842 40 0 FDABLO CC(C)OCC(=O)N1CCC[C@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000019708691 518828286 /nfs/dbraw/zinc/82/82/86/518828286.db2.gz GSWMXUYOCWLYPW-SFHVURJKSA-N 1 2 374.485 1.558 40 0 FDABLO CC(C)c1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)nn2cnnc12 ZINC000019716270 518829452 /nfs/dbraw/zinc/82/94/52/518829452.db2.gz CFYOOIVOLSQJHD-INIZCTEOSA-N 1 2 360.462 1.334 40 0 FDABLO CC(=O)N[C@@H]1Cc2ccc(S(=O)(=O)NCCNc3cccc[nH+]3)cc2C1 ZINC000019749646 518833980 /nfs/dbraw/zinc/83/39/80/518833980.db2.gz HFFCJMYNDJJYHD-MRXNPFEDSA-N 1 2 374.466 1.075 40 0 FDABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@@H](C(=O)NCc1ccccc1)CC(=O)N2 ZINC000019820003 518837803 /nfs/dbraw/zinc/83/78/03/518837803.db2.gz CXRVOCMRZNGYMG-ZDUSSCGKSA-N 1 2 366.425 1.401 40 0 FDABLO CNc1nc(N2CC[NH+](CCO)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 ZINC000020503123 518851605 /nfs/dbraw/zinc/85/16/05/518851605.db2.gz KCNZRWXROXRPSU-ZDUSSCGKSA-N 1 2 371.441 1.138 40 0 FDABLO CC(C)[NH+]1CCN(S(=O)(=O)c2c[nH]cc(Br)c2=O)CC1 ZINC000072210930 522203041 /nfs/dbraw/zinc/20/30/41/522203041.db2.gz DMDSODVEWBUZPG-UHFFFAOYSA-N 1 2 364.265 1.264 40 0 FDABLO Cc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@@H](COCC(=O)N(C)C)C2)s1 ZINC000096060701 525130428 /nfs/dbraw/zinc/13/04/28/525130428.db2.gz IHIWQUWCMOYDEK-CYBMUJFWSA-N 1 2 363.487 1.389 40 0 FDABLO Cc1ccc(C[N@H+]2Cc3nnn(C)c3[C@@H](COCC(=O)N(C)C)C2)s1 ZINC000096060701 525130437 /nfs/dbraw/zinc/13/04/37/525130437.db2.gz IHIWQUWCMOYDEK-CYBMUJFWSA-N 1 2 363.487 1.389 40 0 FDABLO COCC(=O)N1CCC2(CC1)COCC[N@H+](Cc1csc(C)n1)C2 ZINC000096239929 525154634 /nfs/dbraw/zinc/15/46/34/525154634.db2.gz YCCFFOSUUKCBTC-UHFFFAOYSA-N 1 2 353.488 1.539 40 0 FDABLO COCC(=O)N1CCC2(CC1)COCC[N@@H+](Cc1csc(C)n1)C2 ZINC000096239929 525154641 /nfs/dbraw/zinc/15/46/41/525154641.db2.gz YCCFFOSUUKCBTC-UHFFFAOYSA-N 1 2 353.488 1.539 40 0 FDABLO CC(C)NC(=O)c1cc2c([nH+]c1N(C)C)CCN(c1ccncn1)CC2 ZINC000096260345 525156117 /nfs/dbraw/zinc/15/61/17/525156117.db2.gz ZATCZTGSXBPBKU-UHFFFAOYSA-N 1 2 354.458 1.681 40 0 FDABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccccc3OCC)C2=O)CC1 ZINC000096301123 525158036 /nfs/dbraw/zinc/15/80/36/525158036.db2.gz FPUVLEPNXHDLKE-INIZCTEOSA-N 1 2 374.437 1.992 40 0 FDABLO Cn1cnc2c1[C@@H](C(=O)NCC1CC1)C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000248001886 537161902 /nfs/dbraw/zinc/16/19/02/537161902.db2.gz AVPPSTCQQBRZNP-HNNXBMFYSA-N 1 2 368.437 1.774 40 0 FDABLO Cn1cnc2c1[C@@H](C(=O)NCC1CC1)C[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000248001886 537161905 /nfs/dbraw/zinc/16/19/05/537161905.db2.gz AVPPSTCQQBRZNP-HNNXBMFYSA-N 1 2 368.437 1.774 40 0 FDABLO C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N[C@H](Cc1cccs1)c1nccs1 ZINC000248018017 537162551 /nfs/dbraw/zinc/16/25/51/537162551.db2.gz GUUBBLMTXBVKIB-OLZOCXBDSA-N 1 2 364.496 1.425 40 0 FDABLO C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N[C@H](Cc1cccs1)c1nccs1 ZINC000248018017 537162554 /nfs/dbraw/zinc/16/25/54/537162554.db2.gz GUUBBLMTXBVKIB-OLZOCXBDSA-N 1 2 364.496 1.425 40 0 FDABLO CN(C)c1cc(N2CC3(C2)C[C@@H](OCc2ccccn2)CCO3)nc[nH+]1 ZINC000248079669 537165835 /nfs/dbraw/zinc/16/58/35/537165835.db2.gz CKXZYSGOAFSGLL-INIZCTEOSA-N 1 2 355.442 1.892 40 0 FDABLO CN(C)c1cc(N2CC3(C2)C[C@@H](OCc2ccccn2)CCO3)[nH+]cn1 ZINC000248079669 537165838 /nfs/dbraw/zinc/16/58/38/537165838.db2.gz CKXZYSGOAFSGLL-INIZCTEOSA-N 1 2 355.442 1.892 40 0 FDABLO CCS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3ccc(C)s3)C2)OC1 ZINC000248112248 537166483 /nfs/dbraw/zinc/16/64/83/537166483.db2.gz RHDYRXUNEXSRPY-CQSZACIVSA-N 1 2 358.529 1.977 40 0 FDABLO Cc1cncc(O[C@H]2CCOC3(CN(c4cc(N(C)C)[nH+]cn4)C3)C2)n1 ZINC000248113464 537166953 /nfs/dbraw/zinc/16/69/53/537166953.db2.gz KUHQJQRDGFFKHW-AWEZNQCLSA-N 1 2 356.430 1.458 40 0 FDABLO Cc1cncc(O[C@H]2CCOC3(CN(c4cc(N(C)C)nc[nH+]4)C3)C2)n1 ZINC000248113464 537166955 /nfs/dbraw/zinc/16/69/55/537166955.db2.gz KUHQJQRDGFFKHW-AWEZNQCLSA-N 1 2 356.430 1.458 40 0 FDABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2CCNS(C)(=O)=O ZINC000248156579 537169023 /nfs/dbraw/zinc/16/90/23/537169023.db2.gz ZDQNDQMTPWFPHI-HNNXBMFYSA-N 1 2 354.472 1.225 40 0 FDABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1CC[NH+]1CCOCC1 ZINC000223126556 537519770 /nfs/dbraw/zinc/51/97/70/537519770.db2.gz ZZQKIMIVRWNTQJ-IAGOWNOFSA-N 1 2 357.483 1.714 40 0 FDABLO CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@H]3[C@H]3CSC[N@@H+]32)c2ccccc21 ZINC000230043736 537577434 /nfs/dbraw/zinc/57/74/34/537577434.db2.gz WHZFXMKPVAUKLO-YYIAUSFCSA-N 1 2 369.446 1.962 40 0 FDABLO CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@H]3[C@H]3CSC[N@H+]32)c2ccccc21 ZINC000230043736 537577438 /nfs/dbraw/zinc/57/74/38/537577438.db2.gz WHZFXMKPVAUKLO-YYIAUSFCSA-N 1 2 369.446 1.962 40 0 FDABLO O=C1CCCN1C[C@H]1CC[C@@]2(COCC[N@H+](Cc3nccs3)C2)O1 ZINC000306129350 537603442 /nfs/dbraw/zinc/60/34/42/537603442.db2.gz IBDLVDIKCDLYGG-RHSMWYFYSA-N 1 2 351.472 1.516 40 0 FDABLO O=C1CCCN1C[C@H]1CC[C@@]2(COCC[N@@H+](Cc3nccs3)C2)O1 ZINC000306129350 537603447 /nfs/dbraw/zinc/60/34/47/537603447.db2.gz IBDLVDIKCDLYGG-RHSMWYFYSA-N 1 2 351.472 1.516 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3cccc(C)c3)C2)C[N@@H+]1CC1CC1 ZINC000575402705 550460242 /nfs/dbraw/zinc/46/02/42/550460242.db2.gz AWUAOPJOQLRGNA-KRWDZBQOSA-N 1 2 357.454 1.046 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3cccc(C)c3)C2)C[N@H+]1CC1CC1 ZINC000575402705 550460243 /nfs/dbraw/zinc/46/02/43/550460243.db2.gz AWUAOPJOQLRGNA-KRWDZBQOSA-N 1 2 357.454 1.046 40 0 FDABLO Cc1c(C[N@@H+]2Cc3ccnn3CC[C@H]2COc2cnccn2)cnn1C ZINC000585098401 551570376 /nfs/dbraw/zinc/57/03/76/551570376.db2.gz XMRZNBIHVOIFHI-KRWDZBQOSA-N 1 2 353.430 1.569 40 0 FDABLO Cc1c(C[N@H+]2Cc3ccnn3CC[C@H]2COc2cnccn2)cnn1C ZINC000585098401 551570378 /nfs/dbraw/zinc/57/03/78/551570378.db2.gz XMRZNBIHVOIFHI-KRWDZBQOSA-N 1 2 353.430 1.569 40 0 FDABLO Cc1ccccc1OC[C@]1(O)COCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000585276636 551577438 /nfs/dbraw/zinc/57/74/38/551577438.db2.gz GTCKXVGPQWFYLA-LJQANCHMSA-N 1 2 359.426 1.251 40 0 FDABLO Cc1ccccc1C[C@H]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C[C@H]1O ZINC000585290496 551579873 /nfs/dbraw/zinc/57/98/73/551579873.db2.gz DWIHOKGLUJQDIS-ZYIDEWGLSA-N 1 2 358.482 1.635 40 0 FDABLO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](CNS(=O)(=O)C3CC3)C2)o1 ZINC000306144753 571042857 /nfs/dbraw/zinc/04/28/57/571042857.db2.gz ZNQPUOXLKCFIOJ-AWEZNQCLSA-N 1 2 364.471 1.498 40 0 FDABLO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@@H](CNS(=O)(=O)C3CC3)C2)o1 ZINC000306144753 571042863 /nfs/dbraw/zinc/04/28/63/571042863.db2.gz ZNQPUOXLKCFIOJ-AWEZNQCLSA-N 1 2 364.471 1.498 40 0 FDABLO C[C@@H](CO)Nc1nc(NCCc2ccccn2)cc(-c2cccnc2)[nH+]1 ZINC000329024960 571107683 /nfs/dbraw/zinc/10/76/83/571107683.db2.gz PDWUFCZANRJOCA-AWEZNQCLSA-N 1 2 350.426 1.225 40 0 FDABLO Cc1cc(C)n2ncc(C[N@@H+]3CCO[C@H](c4cc(=O)[nH]c(C)n4)C3)c2n1 ZINC000257201689 571149470 /nfs/dbraw/zinc/14/94/70/571149470.db2.gz AIOXDMBEYUEJPW-INIZCTEOSA-N 1 2 354.414 1.724 40 0 FDABLO Cc1cc(C)n2ncc(C[N@H+]3CCO[C@H](c4cc(=O)[nH]c(C)n4)C3)c2n1 ZINC000257201689 571149471 /nfs/dbraw/zinc/14/94/71/571149471.db2.gz AIOXDMBEYUEJPW-INIZCTEOSA-N 1 2 354.414 1.724 40 0 FDABLO CN(C(=O)CCn1cnc2ccccc21)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257308892 571160495 /nfs/dbraw/zinc/16/04/95/571160495.db2.gz TYQARIRVROJRSX-ZHALLVOQSA-N 1 2 353.426 1.846 40 0 FDABLO CS(=O)(=O)N1CCc2ccc(NC(=O)C[NH+]3Cc4ccccc4C3)cc21 ZINC000036752502 205021680 /nfs/dbraw/zinc/02/16/80/205021680.db2.gz FFWJJOPYCLOGTD-UHFFFAOYSA-N 1 2 371.462 1.963 40 0 FDABLO CC(C)CCn1nnnc1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019447037 206325911 /nfs/dbraw/zinc/32/59/11/206325911.db2.gz JPTDVVNRMHIPLG-UHFFFAOYSA-N 1 2 372.473 1.766 40 0 FDABLO Cc1nn([C@H](C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1Br ZINC000022276777 206336386 /nfs/dbraw/zinc/33/63/86/206336386.db2.gz CISMAEPXBRHKCE-CMPLNLGQSA-N 1 2 359.268 1.352 40 0 FDABLO Cc1csc(NC(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000128668394 173116805 /nfs/dbraw/zinc/11/68/05/173116805.db2.gz AGEAUQYDWHJDBC-CYBMUJFWSA-N 1 2 351.476 1.612 40 0 FDABLO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@@H+](C4COC4)C[C@H]2N(C)C3=O)cn1 ZINC000514290174 263776607 /nfs/dbraw/zinc/77/66/07/263776607.db2.gz UCVUBDGPKYJWTK-AEFFLSMTSA-N 1 2 354.410 1.003 40 0 biogenic,in-vitro FDABLO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@H+](C4COC4)C[C@H]2N(C)C3=O)cn1 ZINC000514290174 263776608 /nfs/dbraw/zinc/77/66/08/263776608.db2.gz UCVUBDGPKYJWTK-AEFFLSMTSA-N 1 2 354.410 1.003 40 0 biogenic,in-vitro FDABLO COc1ccc2c(cc(C(=O)NC[C@H](C)[NH+]3CCOCC3)n2C)c1OC ZINC000019456492 518812552 /nfs/dbraw/zinc/81/25/52/518812552.db2.gz PIDNHPGJKYBJSR-ZDUSSCGKSA-N 1 2 361.442 1.646 40 0 FDABLO CCC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000019502013 518814450 /nfs/dbraw/zinc/81/44/50/518814450.db2.gz NQUHMJFFFHSEEE-XLPNERPQSA-N 1 2 360.410 1.370 40 0 FDABLO COCCn1nnnc1[C@H](C(C)C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000035310991 519602852 /nfs/dbraw/zinc/60/28/52/519602852.db2.gz FGUFDXDLDKDSSR-SFHVURJKSA-N 1 2 374.489 1.847 40 0 FDABLO CC(C)OCCS(=O)(=O)N1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000085689166 524365617 /nfs/dbraw/zinc/36/56/17/524365617.db2.gz ZJAMNAGHQJOPLT-UHFFFAOYSA-N 1 2 364.471 1.507 40 0 FDABLO CC(C)NC(=O)N1CC[N@H+](Cc2nccs2)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000096036095 525122814 /nfs/dbraw/zinc/12/28/14/525122814.db2.gz JGUYLAXRYIGMTN-KRWDZBQOSA-N 1 2 365.503 1.227 40 0 FDABLO CC(C)NC(=O)N1CC[N@@H+](Cc2nccs2)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000096036095 525122822 /nfs/dbraw/zinc/12/28/22/525122822.db2.gz JGUYLAXRYIGMTN-KRWDZBQOSA-N 1 2 365.503 1.227 40 0 FDABLO CCCn1c(C[N@@H+]2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000096306527 525156440 /nfs/dbraw/zinc/15/64/40/525156440.db2.gz GQBLZZGOAJLPSX-UHFFFAOYSA-N 1 2 367.453 1.402 40 0 FDABLO CCCn1c(C[N@H+]2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000096306527 525156450 /nfs/dbraw/zinc/15/64/50/525156450.db2.gz GQBLZZGOAJLPSX-UHFFFAOYSA-N 1 2 367.453 1.402 40 0 FDABLO CN(C)c1nc(N2CCCC2)[nH+]c2c1CN(C(=O)c1ccccn1)CC2 ZINC000096253975 525156491 /nfs/dbraw/zinc/15/64/91/525156491.db2.gz CLXOJAZWLOAHJE-UHFFFAOYSA-N 1 2 352.442 1.736 40 0 FDABLO CNC(=O)c1cc2c([nH+]c1NC(C)C)CCN(c1ncc(F)cn1)CC2 ZINC000096260414 525156562 /nfs/dbraw/zinc/15/65/62/525156562.db2.gz CLDUNTXNZCITCG-UHFFFAOYSA-N 1 2 358.421 1.796 40 0 FDABLO CC(C)NC(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251274 525157316 /nfs/dbraw/zinc/15/73/16/525157316.db2.gz CFRVXMHYSOSDIL-JXFKEZNVSA-N 1 2 373.501 1.806 40 0 FDABLO COc1ncccc1C[N@H+]1Cc2cccn2C[C@@H](OCC(=O)N(C)C)C1 ZINC000248036198 537163811 /nfs/dbraw/zinc/16/38/11/537163811.db2.gz UTGCANOUPQILRJ-KRWDZBQOSA-N 1 2 358.442 1.381 40 0 FDABLO COc1ncccc1C[N@@H+]1Cc2cccn2C[C@@H](OCC(=O)N(C)C)C1 ZINC000248036198 537163812 /nfs/dbraw/zinc/16/38/12/537163812.db2.gz UTGCANOUPQILRJ-KRWDZBQOSA-N 1 2 358.442 1.381 40 0 FDABLO CN(C)c1cc(N2CC3(C2)CC[C@@H](CNC(=O)CC2CC2)CO3)nc[nH+]1 ZINC000248100775 537165985 /nfs/dbraw/zinc/16/59/85/537165985.db2.gz HLNFOUNGNZFMKK-HNNXBMFYSA-N 1 2 359.474 1.444 40 0 FDABLO CN(C)c1cc(N2CC3(C2)CC[C@@H](CNC(=O)CC2CC2)CO3)[nH+]cn1 ZINC000248100775 537165988 /nfs/dbraw/zinc/16/59/88/537165988.db2.gz HLNFOUNGNZFMKK-HNNXBMFYSA-N 1 2 359.474 1.444 40 0 FDABLO Cn1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223162382 537518888 /nfs/dbraw/zinc/51/88/88/537518888.db2.gz CYZGOOIVXCNJCU-QZTJIDSGSA-N 1 2 371.510 1.725 40 0 FDABLO COc1ccc(-c2ncc(C(=O)NCC[NH+]3CCOCC3)c(C)n2)cc1 ZINC000223146431 537519880 /nfs/dbraw/zinc/51/98/80/537519880.db2.gz YJZRXIAUHPFOHC-UHFFFAOYSA-N 1 2 356.426 1.523 40 0 FDABLO CCOC(=O)[C@]1(CC)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000231643463 537586244 /nfs/dbraw/zinc/58/62/44/537586244.db2.gz HSGRKWCSKYMMPD-AXHMDWHKSA-N 1 2 374.437 1.673 40 0 FDABLO CCn1cc(C[N@@H+]2CCn3cc(CC(=O)N4CCOCC4)nc3[C@H]2C)cn1 ZINC000306128840 537602022 /nfs/dbraw/zinc/60/20/22/537602022.db2.gz HMICDCLYQITFQJ-OAHLLOKOSA-N 1 2 372.473 1.078 40 0 FDABLO CCn1cc(C[N@H+]2CCn3cc(CC(=O)N4CCOCC4)nc3[C@H]2C)cn1 ZINC000306128840 537602025 /nfs/dbraw/zinc/60/20/25/537602025.db2.gz HMICDCLYQITFQJ-OAHLLOKOSA-N 1 2 372.473 1.078 40 0 FDABLO C[NH+]1CCN(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCC3)CC1 ZINC000408557912 537849366 /nfs/dbraw/zinc/84/93/66/537849366.db2.gz QOIHCDIWDLUOQX-UHFFFAOYSA-N 1 2 360.405 1.850 40 0 FDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COCc2ccncc2)[nH]n1 ZINC000585094826 551568267 /nfs/dbraw/zinc/56/82/67/551568267.db2.gz OFZGMSZHZCROIM-QGZVFWFLSA-N 1 2 352.442 1.990 40 0 FDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COCc2ccncc2)n[nH]1 ZINC000585094826 551568269 /nfs/dbraw/zinc/56/82/69/551568269.db2.gz OFZGMSZHZCROIM-QGZVFWFLSA-N 1 2 352.442 1.990 40 0 FDABLO C[N@H+](CC(=O)N1CC[C@H](O)[C@H](Cc2ccccc2)C1)Cc1cccnc1 ZINC000585274069 551577067 /nfs/dbraw/zinc/57/70/67/551577067.db2.gz ZUTIYKYJEACZAU-UXHICEINSA-N 1 2 353.466 1.966 40 0 FDABLO C[N@@H+](CC(=O)N1CC[C@H](O)[C@H](Cc2ccccc2)C1)Cc1cccnc1 ZINC000585274069 551577069 /nfs/dbraw/zinc/57/70/69/551577069.db2.gz ZUTIYKYJEACZAU-UXHICEINSA-N 1 2 353.466 1.966 40 0 FDABLO C[N@H+](CC(=O)N1CC[C@H](Cc2ccccc2)[C@H](O)C1)Cc1cccnc1 ZINC000585280566 551578196 /nfs/dbraw/zinc/57/81/96/551578196.db2.gz KOCJVVMUXBFPMN-WOJBJXKFSA-N 1 2 353.466 1.966 40 0 FDABLO C[N@@H+](CC(=O)N1CC[C@H](Cc2ccccc2)[C@H](O)C1)Cc1cccnc1 ZINC000585280566 551578198 /nfs/dbraw/zinc/57/81/98/551578198.db2.gz KOCJVVMUXBFPMN-WOJBJXKFSA-N 1 2 353.466 1.966 40 0 FDABLO C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)NCC[NH+]1CCOCC1 ZINC000253402758 560040440 /nfs/dbraw/zinc/04/04/40/560040440.db2.gz OQHRUSHEOITDDU-LBPRGKRZSA-N 1 2 363.389 1.596 40 0 biogenic,in-vitro FDABLO Cc1cc(CC[C@@H]2C[N@H+](Cc3cccc(OCCO)c3)CCO2)ncn1 ZINC000257201887 571149457 /nfs/dbraw/zinc/14/94/57/571149457.db2.gz AJMYRSPQWHQAOL-HXUWFJFHSA-N 1 2 357.454 1.990 40 0 FDABLO Cc1cc(CC[C@@H]2C[N@@H+](Cc3cccc(OCCO)c3)CCO2)ncn1 ZINC000257201887 571149458 /nfs/dbraw/zinc/14/94/58/571149458.db2.gz AJMYRSPQWHQAOL-HXUWFJFHSA-N 1 2 357.454 1.990 40 0 FDABLO CCn1cc(C[N@@H+]2CCC[C@@H](Cc3n[nH]cc3S(C)(=O)=O)C2)cn1 ZINC000257305429 571160099 /nfs/dbraw/zinc/16/00/99/571160099.db2.gz SPYOZVZCFZZZME-ZDUSSCGKSA-N 1 2 351.476 1.484 40 0 FDABLO CCn1cc(C[N@H+]2CCC[C@@H](Cc3n[nH]cc3S(C)(=O)=O)C2)cn1 ZINC000257305429 571160100 /nfs/dbraw/zinc/16/01/00/571160100.db2.gz SPYOZVZCFZZZME-ZDUSSCGKSA-N 1 2 351.476 1.484 40 0 FDABLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000245569373 178367469 /nfs/dbraw/zinc/36/74/69/178367469.db2.gz YNANVDWYWGSXDD-HZPDHXFCSA-N 1 2 355.446 1.374 40 0 FDABLO Cc1[nH+]cc(-c2cncc([C@@H]3CCCN(C(=O)c4ccn(C)n4)C3)n2)n1C ZINC000257332524 210001291 /nfs/dbraw/zinc/00/12/91/210001291.db2.gz XXQZHGPWBBSOMR-CQSZACIVSA-N 1 2 365.441 1.939 40 0 FDABLO Cc1[nH+]cc(-c2nccnc2[C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1C ZINC000257314791 209996699 /nfs/dbraw/zinc/99/66/99/209996699.db2.gz UYLKKFGOCVZCED-ZDUSSCGKSA-N 1 2 364.475 1.171 40 0 FDABLO CC[C@@H](c1nnnn1CCOC)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000019500642 209608186 /nfs/dbraw/zinc/60/81/86/209608186.db2.gz GFWZJSORRYRAHN-KRWDZBQOSA-N 1 2 374.489 1.597 40 0 FDABLO c1csc(CN2CCOC[C@@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)n1 ZINC000107739669 209279597 /nfs/dbraw/zinc/27/95/97/209279597.db2.gz XLCPJEUITFTDJD-DOTOQJQBSA-N 1 2 353.488 1.225 40 0 FDABLO CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096238252 209141721 /nfs/dbraw/zinc/14/17/21/209141721.db2.gz DZSMFUBLODRJAG-SFHVURJKSA-N 1 2 356.451 1.987 40 0 FDABLO COC[C@H]1CCC2(CC[NH+](Cc3cc(C)on3)CC2)N1S(C)(=O)=O ZINC000096206410 209134621 /nfs/dbraw/zinc/13/46/21/209134621.db2.gz QRKAVJAXAWNJOB-OAHLLOKOSA-N 1 2 357.476 1.388 40 0 FDABLO O=C(c1ccnnc1)N1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096158803 209127047 /nfs/dbraw/zinc/12/70/47/209127047.db2.gz UPYJNZYRSAERCV-UHFFFAOYSA-N 1 2 353.426 1.379 40 0 FDABLO O=C(c1ccnnc1)N1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096158803 209127050 /nfs/dbraw/zinc/12/70/50/209127050.db2.gz UPYJNZYRSAERCV-UHFFFAOYSA-N 1 2 353.426 1.379 40 0 FDABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@H+](Cc1cnn(C)c1)CC3 ZINC000012185596 207345299 /nfs/dbraw/zinc/34/52/99/207345299.db2.gz HSEFZCYVERUXOW-UHFFFAOYSA-N 1 2 369.425 1.206 40 0 FDABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@@H+](Cc1cnn(C)c1)CC3 ZINC000012185596 207345303 /nfs/dbraw/zinc/34/53/03/207345303.db2.gz HSEFZCYVERUXOW-UHFFFAOYSA-N 1 2 369.425 1.206 40 0 FDABLO Cc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@H](COCC(=O)N(C)C)C2)s1 ZINC000096060700 209105621 /nfs/dbraw/zinc/10/56/21/209105621.db2.gz IHIWQUWCMOYDEK-ZDUSSCGKSA-N 1 2 363.487 1.389 40 0 FDABLO Cc1ccc(C[N@H+]2Cc3nnn(C)c3[C@H](COCC(=O)N(C)C)C2)s1 ZINC000096060700 209105628 /nfs/dbraw/zinc/10/56/28/209105628.db2.gz IHIWQUWCMOYDEK-ZDUSSCGKSA-N 1 2 363.487 1.389 40 0 FDABLO Cc1nc(C[N@H+]2CCOC[C@@]3(CCN(Cc4nccn4C)C3)C2)cs1 ZINC000096062355 209103880 /nfs/dbraw/zinc/10/38/80/209103880.db2.gz QTKLHQANQRTMRF-GOSISDBHSA-N 1 2 361.515 1.910 40 0 FDABLO Cc1nc(C[N@@H+]2CCOC[C@@]3(CCN(Cc4nccn4C)C3)C2)cs1 ZINC000096062355 209103882 /nfs/dbraw/zinc/10/38/82/209103882.db2.gz QTKLHQANQRTMRF-GOSISDBHSA-N 1 2 361.515 1.910 40 0 FDABLO CN1CC[N@H+](CC2CC2)[C@@H](c2cn3c(cccc3N3CCOCC3)n2)C1 ZINC000306139530 132301947 /nfs/dbraw/zinc/30/19/47/132301947.db2.gz SZQFMHVGHJACRT-GOSISDBHSA-N 1 2 355.486 1.869 40 0 FDABLO CN1CC[N@@H+](CC2CC2)[C@@H](c2cn3c(cccc3N3CCOCC3)n2)C1 ZINC000306139530 132301949 /nfs/dbraw/zinc/30/19/49/132301949.db2.gz SZQFMHVGHJACRT-GOSISDBHSA-N 1 2 355.486 1.869 40 0 FDABLO COc1ccccc1N1CC[NH+](Cc2ccnc(N3CCOCC3)n2)CC1 ZINC000072348169 136144835 /nfs/dbraw/zinc/14/48/35/136144835.db2.gz KHQKUNHEHGEOGM-UHFFFAOYSA-N 1 2 369.469 1.644 40 0 FDABLO C[N@@H+]1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000012529695 518617846 /nfs/dbraw/zinc/61/78/46/518617846.db2.gz ZFAMNRCWHAAOCJ-ZFWWWQNUSA-N 1 2 350.382 1.702 40 0 biogenic,in-vitro FDABLO C[N@H+]1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000012529695 518617854 /nfs/dbraw/zinc/61/78/54/518617854.db2.gz ZFAMNRCWHAAOCJ-ZFWWWQNUSA-N 1 2 350.382 1.702 40 0 biogenic,in-vitro FDABLO COC(=O)[C@@H]1Cc2[nH+]cn(C(C)C)c2CN1S(=O)(=O)c1ccccc1 ZINC000015676496 518729864 /nfs/dbraw/zinc/72/98/64/518729864.db2.gz XSGUIZJFXBQALZ-HNNXBMFYSA-N 1 2 363.439 1.753 40 0 biogenic,in-vitro FDABLO CCOC(=O)[C@]1(CC)[NH2+][C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000245230301 521353688 /nfs/dbraw/zinc/35/36/88/521353688.db2.gz OWDXQNUTULMXQF-NXEZDXNNSA-N 1 2 360.410 1.370 40 0 FDABLO OC1(c2cccnc2)CC[NH+](Cc2nnnn2Cc2ccc(F)cc2)CC1 ZINC000057718623 522145332 /nfs/dbraw/zinc/14/53/32/522145332.db2.gz GZUFLELEEGVFOE-UHFFFAOYSA-N 1 2 368.416 1.739 40 0 FDABLO Cc1cc(CN(C)C(=O)[C@]2(C)CCCN(C(=O)CCn3cc[nH+]c3)C2)no1 ZINC000257279801 524654518 /nfs/dbraw/zinc/65/45/18/524654518.db2.gz OIFJCAABUXMRPO-LJQANCHMSA-N 1 2 373.457 1.857 40 0 FDABLO CCOC(=O)[C@]1(CC)[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000100420668 525214268 /nfs/dbraw/zinc/21/42/68/525214268.db2.gz HSGRKWCSKYMMPD-KSVNGYGVSA-N 1 2 374.437 1.673 40 0 FDABLO COc1ccccc1C(=O)NC[C@@]1(O)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257248588 536998236 /nfs/dbraw/zinc/99/82/36/536998236.db2.gz JEIBWEXPYQCOCN-IBGZPJMESA-N 1 2 356.426 1.555 40 0 FDABLO COCCNC(=O)[C@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2c[nH+]cn21 ZINC000247834720 537153480 /nfs/dbraw/zinc/15/34/80/537153480.db2.gz ISRALRAEVZUKFX-MRXNPFEDSA-N 1 2 366.824 1.995 40 0 FDABLO COC[C@H]1CN(S(C)(=O)=O)CC12CC[NH+](Cc1cc(C)on1)CC2 ZINC000247954427 537159044 /nfs/dbraw/zinc/15/90/44/537159044.db2.gz ZLZNZEZJVGIKJC-CQSZACIVSA-N 1 2 357.476 1.103 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(Cc3cccc(Cl)c3)C2)C[N@@H+]1CC1CC1 ZINC000247978439 537161015 /nfs/dbraw/zinc/16/10/15/537161015.db2.gz WQMNRSOLGAEBGQ-KRWDZBQOSA-N 1 2 363.889 1.751 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(Cc3cccc(Cl)c3)C2)C[N@H+]1CC1CC1 ZINC000247978439 537161017 /nfs/dbraw/zinc/16/10/17/537161017.db2.gz WQMNRSOLGAEBGQ-KRWDZBQOSA-N 1 2 363.889 1.751 40 0 FDABLO Cc1ncsc1C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccno1)CO2 ZINC000248061424 537165146 /nfs/dbraw/zinc/16/51/46/537165146.db2.gz VWIKBNJNSRIRCA-ZDUSSCGKSA-N 1 2 362.455 1.851 40 0 FDABLO C[N@@H+]1CC[C@H](NCc2ccccc2)[C@]2(CC(C(=O)NCC3CC3)=NO2)C1 ZINC000306123774 537599919 /nfs/dbraw/zinc/59/99/19/537599919.db2.gz AWJAUMPQCRFYIS-ICSRJNTNSA-N 1 2 356.470 1.522 40 0 FDABLO C[N@H+]1CC[C@H](NCc2ccccc2)[C@]2(CC(C(=O)NCC3CC3)=NO2)C1 ZINC000306123774 537599925 /nfs/dbraw/zinc/59/99/25/537599925.db2.gz AWJAUMPQCRFYIS-ICSRJNTNSA-N 1 2 356.470 1.522 40 0 FDABLO Cn1cccc1[C@@H](c1noc([C@H]([NH3+])CCS(C)(=O)=O)n1)n1cccc1 ZINC000409438897 537850847 /nfs/dbraw/zinc/85/08/47/537850847.db2.gz DWBJIKDNYWZHFP-OCCSQVGLSA-N 1 2 363.443 1.282 40 0 FDABLO Cc1nc(C(=O)N2CCC[C@]3(CC[N@@H+]3CC(=O)N3CCCC3)C2)cs1 ZINC000585101893 551571028 /nfs/dbraw/zinc/57/10/28/551571028.db2.gz KLUPZLONFQETSD-SFHVURJKSA-N 1 2 362.499 1.754 40 0 FDABLO Cc1nc(C(=O)N2CCC[C@]3(CC[N@H+]3CC(=O)N3CCCC3)C2)cs1 ZINC000585101893 551571031 /nfs/dbraw/zinc/57/10/31/551571031.db2.gz KLUPZLONFQETSD-SFHVURJKSA-N 1 2 362.499 1.754 40 0 FDABLO CCS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3ccc(OC)cc3)C2)OC1 ZINC000585104462 551571986 /nfs/dbraw/zinc/57/19/86/551571986.db2.gz IVUIAPRXOHZXFY-MRXNPFEDSA-N 1 2 368.499 1.616 40 0 FDABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@H](C(=O)N3CC(F)(F)C3)C2)o1 ZINC000585110874 551573638 /nfs/dbraw/zinc/57/36/38/551573638.db2.gz SBOWIUYVIMCJMF-CYBMUJFWSA-N 1 2 350.369 1.898 40 0 FDABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@H](C(=O)N3CC(F)(F)C3)C2)o1 ZINC000585110874 551573641 /nfs/dbraw/zinc/57/36/41/551573641.db2.gz SBOWIUYVIMCJMF-CYBMUJFWSA-N 1 2 350.369 1.898 40 0 FDABLO O=S(=O)(NCC[C@@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21)C1CC1 ZINC000585112026 551574010 /nfs/dbraw/zinc/57/40/10/551574010.db2.gz HGOXGJRDSQXAIJ-QGZVFWFLSA-N 1 2 360.483 1.912 40 0 FDABLO O=S(=O)(NCC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21)C1CC1 ZINC000585112026 551574011 /nfs/dbraw/zinc/57/40/11/551574011.db2.gz HGOXGJRDSQXAIJ-QGZVFWFLSA-N 1 2 360.483 1.912 40 0 FDABLO O=S(=O)(NC[C@H]1C[N@H+](CCc2ccccc2)Cc2ccnn21)C1CC1 ZINC000585113057 551574458 /nfs/dbraw/zinc/57/44/58/551574458.db2.gz YCIKBJSOHVVUFZ-KRWDZBQOSA-N 1 2 360.483 1.564 40 0 FDABLO O=S(=O)(NC[C@H]1C[N@@H+](CCc2ccccc2)Cc2ccnn21)C1CC1 ZINC000585113057 551574459 /nfs/dbraw/zinc/57/44/59/551574459.db2.gz YCIKBJSOHVVUFZ-KRWDZBQOSA-N 1 2 360.483 1.564 40 0 FDABLO Cc1noc(CC(=O)N2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)n1 ZINC000585113553 551575141 /nfs/dbraw/zinc/57/51/41/551575141.db2.gz KWWNNUREUDTRTD-SFHVURJKSA-N 1 2 357.414 1.071 40 0 FDABLO CN(C(=O)/C=C/C[NH+]1CCOCC1)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585290837 551579757 /nfs/dbraw/zinc/57/97/57/551579757.db2.gz HLSGFWNEOYZECM-ALHDMTEFSA-N 1 2 374.481 1.694 40 0 FDABLO CO[C@@]1(COc2ccccc2)CCCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000585291159 551580406 /nfs/dbraw/zinc/58/04/06/551580406.db2.gz LVLOSDUFNSDIFG-OWLMGLOSSA-N 1 2 374.481 1.961 40 0 FDABLO Cc1cnc(C(=O)N2Cc3c[nH+]cn3[C@@H](COc3ncccc3F)C2)cn1 ZINC000306137964 571041140 /nfs/dbraw/zinc/04/11/40/571041140.db2.gz RLCYETDZKOROFY-CQSZACIVSA-N 1 2 368.372 1.792 40 0 FDABLO Cc1cnc(C(=O)N[C@H]2CCCC[C@]23CN(Cc2[nH]cc[nH+]2)CCO3)cn1 ZINC000306141067 571041958 /nfs/dbraw/zinc/04/19/58/571041958.db2.gz VKOMTCTZTJYASA-LPHOPBHVSA-N 1 2 370.457 1.452 40 0 FDABLO C[C@@H](CO)Nc1nc(NCCc2ccncc2)cc(-c2ccncc2)[nH+]1 ZINC000329043131 571108539 /nfs/dbraw/zinc/10/85/39/571108539.db2.gz SRURNIOVAHVJRM-AWEZNQCLSA-N 1 2 350.426 1.225 40 0 FDABLO Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23C[NH+](C2CCCC2)C3)n1 ZINC000253479466 571135783 /nfs/dbraw/zinc/13/57/83/571135783.db2.gz QNJCQWSAKWCMDZ-CQSZACIVSA-N 1 2 351.472 1.596 40 0 FDABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H](NC(=O)C(C)C)CC1 ZINC000257207341 571149820 /nfs/dbraw/zinc/14/98/20/571149820.db2.gz BHIFXPPJDLTWSL-WMZOPIPTSA-N 1 2 372.469 1.469 40 0 FDABLO CC(C)[N@@H+]1CCN(C(=O)CCCc2c[nH]c3ccccc23)C[C@H]1C(N)=O ZINC000257221981 571151644 /nfs/dbraw/zinc/15/16/44/571151644.db2.gz DRJVDZWSZMSZTL-SFHVURJKSA-N 1 2 356.470 1.897 40 0 FDABLO CC(C)[N@H+]1CCN(C(=O)CCCc2c[nH]c3ccccc23)C[C@H]1C(N)=O ZINC000257221981 571151645 /nfs/dbraw/zinc/15/16/45/571151645.db2.gz DRJVDZWSZMSZTL-SFHVURJKSA-N 1 2 356.470 1.897 40 0 FDABLO CC(=O)N1CCC(c2nccnc2CNC(=O)CCn2cc[nH+]c2)CC1 ZINC000257250996 571154447 /nfs/dbraw/zinc/15/44/47/571154447.db2.gz JOYAKTZCVRLCNV-UHFFFAOYSA-N 1 2 356.430 1.106 40 0 FDABLO O[C@H]1[C@H](Oc2ccccc2)C[C@@H](Nc2ncccn2)[C@@H]1[NH+]1CCOCC1 ZINC000257258844 571155128 /nfs/dbraw/zinc/15/51/28/571155128.db2.gz KVTGGXRLKOOBAU-BDXSIMOUSA-N 1 2 356.426 1.170 40 0 FDABLO CN(C[C@@]1(O)CCN(c2cccc[nH+]2)C1)C(=O)c1noc2c1CCCC2 ZINC000257305699 571160120 /nfs/dbraw/zinc/16/01/20/571160120.db2.gz SRCCRYCIVAHWIJ-IBGZPJMESA-N 1 2 356.426 1.662 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)CCn2ncc3ccccc32)CC[N@@H+]1C(C)C ZINC000257312995 571160841 /nfs/dbraw/zinc/16/08/41/571160841.db2.gz UQOLHTGCCOZIPX-KRWDZBQOSA-N 1 2 357.458 1.094 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)CCn2ncc3ccccc32)CC[N@H+]1C(C)C ZINC000257312995 571160843 /nfs/dbraw/zinc/16/08/43/571160843.db2.gz UQOLHTGCCOZIPX-KRWDZBQOSA-N 1 2 357.458 1.094 40 0 FDABLO Cc1noc(C)c1CC(=O)N(C)C[C@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000257321226 571161662 /nfs/dbraw/zinc/16/16/62/571161662.db2.gz WARLKKAPDAWZTR-GOSISDBHSA-N 1 2 359.430 1.032 40 0 FDABLO CNc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccccc3C)C2)nc[nH+]1 ZINC000257324049 571162019 /nfs/dbraw/zinc/16/20/19/571162019.db2.gz WMXZZJACCBFKET-IBGZPJMESA-N 1 2 355.442 1.540 40 0 FDABLO CNc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccccc3C)C2)[nH+]cn1 ZINC000257324049 571162022 /nfs/dbraw/zinc/16/20/22/571162022.db2.gz WMXZZJACCBFKET-IBGZPJMESA-N 1 2 355.442 1.540 40 0 FDABLO O=C(CCc1c[nH+]c[nH]1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000192671797 178126317 /nfs/dbraw/zinc/12/63/17/178126317.db2.gz UQMOFQZJOUHRIT-UHFFFAOYSA-N 1 2 364.247 1.849 40 0 FDABLO O=C(CCc1c[nH]c[nH+]1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000192671797 178126321 /nfs/dbraw/zinc/12/63/21/178126321.db2.gz UQMOFQZJOUHRIT-UHFFFAOYSA-N 1 2 364.247 1.849 40 0 FDABLO CC(C)n1cc[nH+]c1CN1CCOC[C@H]1c1n[nH]cc1S(C)(=O)=O ZINC000257327702 210000743 /nfs/dbraw/zinc/00/07/43/210000743.db2.gz XCHSPEJVNLTJMT-LBPRGKRZSA-N 1 2 353.448 1.164 40 0 FDABLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)[C@]3(CCCO3)C2)cc1Cl ZINC000257263240 209981612 /nfs/dbraw/zinc/98/16/12/209981612.db2.gz LOZSBVOUUFGLGQ-RDJZCZTQSA-N 1 2 354.834 1.903 40 0 FDABLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](O)[C@]3(CCCO3)C2)cc1Cl ZINC000257263240 209981615 /nfs/dbraw/zinc/98/16/15/209981615.db2.gz LOZSBVOUUFGLGQ-RDJZCZTQSA-N 1 2 354.834 1.903 40 0 FDABLO COCC(=O)N1Cc2c([nH+]cn2Cc2ccc(OC)cc2)C[C@H]1C(=O)OC ZINC000015676426 209598077 /nfs/dbraw/zinc/59/80/77/209598077.db2.gz OQQGDLHSCJKHGA-INIZCTEOSA-N 1 2 373.409 1.013 40 0 biogenic,in-vitro FDABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@H](C(=O)NCc3cccnc3)[C@@H](C1)O2 ZINC000096253287 209143915 /nfs/dbraw/zinc/14/39/15/209143915.db2.gz SSPWAVYIYWEEAC-SOLBZPMBSA-N 1 2 356.426 1.592 40 0 FDABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@H](C(=O)NCc3cccnc3)[C@@H](C1)O2 ZINC000096253287 209143917 /nfs/dbraw/zinc/14/39/17/209143917.db2.gz SSPWAVYIYWEEAC-SOLBZPMBSA-N 1 2 356.426 1.592 40 0 FDABLO Cn1c2ccccc2nc1N1CCC(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000012116321 207338946 /nfs/dbraw/zinc/33/89/46/207338946.db2.gz KHGXRFQRMALSKE-UHFFFAOYSA-N 1 2 371.485 1.238 40 0 FDABLO O=C(CCn1cc[nH+]c1)N1CCC(c2noc(-c3ccc(=O)[nH]c3)n2)CC1 ZINC000012129294 207341330 /nfs/dbraw/zinc/34/13/30/207341330.db2.gz OGWOEIVJADEFEZ-UHFFFAOYSA-N 1 2 368.397 1.830 40 0 FDABLO Cc1cc2ccccc2n2c(=O)n(CCNC(=O)CCn3cc[nH+]c3)nc12 ZINC000012143622 207342477 /nfs/dbraw/zinc/34/24/77/207342477.db2.gz UIPFVECFKDGMRE-UHFFFAOYSA-N 1 2 364.409 1.361 40 0 FDABLO O=C(NCCc1nc(-c2cccnc2)n[nH]1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000012338309 207362724 /nfs/dbraw/zinc/36/27/24/207362724.db2.gz OATRTJONHNYRRW-INIZCTEOSA-N 1 2 354.458 1.932 40 0 FDABLO O=C(NCCc1nc(-c2cccnc2)n[nH]1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000012338309 207362729 /nfs/dbraw/zinc/36/27/29/207362729.db2.gz OATRTJONHNYRRW-INIZCTEOSA-N 1 2 354.458 1.932 40 0 FDABLO CNc1ncc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)cn1 ZINC000019718560 207705832 /nfs/dbraw/zinc/70/58/32/207705832.db2.gz OBJFIJGVGKRWFC-QGZVFWFLSA-N 1 2 355.442 1.630 40 0 FDABLO C[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000035448658 208124223 /nfs/dbraw/zinc/12/42/23/208124223.db2.gz QCMJSSUFGUBWEH-UHFFFAOYSA-N 1 2 351.472 1.249 40 0 FDABLO CCn1cc(S(=O)(=O)NC2(C[NH+]3CCOCC3)CCCCC2)c(C)n1 ZINC000036741451 208171582 /nfs/dbraw/zinc/17/15/82/208171582.db2.gz XOMXKPUOQHYOJD-UHFFFAOYSA-N 1 2 370.519 1.525 40 0 FDABLO Cc1ccccc1N1C[C@@]2(COCC[N@@H+](Cc3nccn3C)C2)OCC1=O ZINC000096240108 132223486 /nfs/dbraw/zinc/22/34/86/132223486.db2.gz ADMRNHZEBQOWJV-FQEVSTJZSA-N 1 2 370.453 1.363 40 0 FDABLO Cc1ccccc1N1C[C@@]2(COCC[N@H+](Cc3nccn3C)C2)OCC1=O ZINC000096240108 132223488 /nfs/dbraw/zinc/22/34/88/132223488.db2.gz ADMRNHZEBQOWJV-FQEVSTJZSA-N 1 2 370.453 1.363 40 0 FDABLO Cc1ccccc1N1C[C@@]2(COCCN(Cc3[nH+]ccn3C)C2)OCC1=O ZINC000096240108 132223489 /nfs/dbraw/zinc/22/34/89/132223489.db2.gz ADMRNHZEBQOWJV-FQEVSTJZSA-N 1 2 370.453 1.363 40 0 FDABLO COc1ccc2[nH]cc(NC(=O)NCCC[NH+]3CCOCC3)c(=O)c2c1 ZINC000013565908 518660627 /nfs/dbraw/zinc/66/06/27/518660627.db2.gz JQHSDGHQDXDCCD-UHFFFAOYSA-N 1 2 360.414 1.381 40 0 FDABLO O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C=C(O)NC(Nc2ccccc2)=[NH+]1 ZINC000014607019 518695230 /nfs/dbraw/zinc/69/52/30/518695230.db2.gz RTHUDRGPYQYSLI-ZDUSSCGKSA-N 1 2 352.350 1.710 40 0 FDABLO CC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC4(CC3)OCCO4)C2=O)cc1 ZINC000017946065 518789456 /nfs/dbraw/zinc/78/94/56/518789456.db2.gz QGZCQIKHTRZCDO-INIZCTEOSA-N 1 2 358.394 1.360 40 0 FDABLO Cc1nc2c(nnn2Cc2ccccc2)c(NCC[NH+]2CCOCC2)n1 ZINC000019240627 518806177 /nfs/dbraw/zinc/80/61/77/518806177.db2.gz HYTINCPAHYQGSW-UHFFFAOYSA-N 1 2 353.430 1.322 40 0 FDABLO COc1cccc(C(=O)N2CC[C@H](C(=O)NCCNc3cccc[nH+]3)C2)c1 ZINC000019750228 518834348 /nfs/dbraw/zinc/83/43/48/518834348.db2.gz OBJDZXRIACILTL-INIZCTEOSA-N 1 2 368.437 1.781 40 0 FDABLO Cc1c(C(=O)N2CC[NH+](C)CC2)nnc2c(-c3ccc(F)cc3)cnn21 ZINC000019817163 518838208 /nfs/dbraw/zinc/83/82/08/518838208.db2.gz AYOOJKUNEZLRFG-UHFFFAOYSA-N 1 2 354.389 1.626 40 0 FDABLO C[N@@H+]1C[C@@H](NC(=O)c2cnccn2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000020464198 518851413 /nfs/dbraw/zinc/85/14/13/518851413.db2.gz MGVZQWYMAOLNST-JSGCOSHPSA-N 1 2 351.370 1.097 40 0 biogenic,in-vitro FDABLO C[N@H+]1C[C@@H](NC(=O)c2cnccn2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000020464198 518851419 /nfs/dbraw/zinc/85/14/19/518851419.db2.gz MGVZQWYMAOLNST-JSGCOSHPSA-N 1 2 351.370 1.097 40 0 biogenic,in-vitro FDABLO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(OC)cc1)[NH2+][C@]2(CC)C(=O)OC ZINC000033938625 519592069 /nfs/dbraw/zinc/59/20/69/519592069.db2.gz VYHKUBZGMLCDIP-XLPNERPQSA-N 1 2 360.410 1.282 40 0 FDABLO COc1cc(OC)c([C@@H]2CC[N@H+](C)C[C@@H]2OC(C)=O)c(O)c1C(C)=O ZINC000034453314 519593103 /nfs/dbraw/zinc/59/31/03/519593103.db2.gz IGPSCQDNVKUGLW-DOMZBBRYSA-N 1 2 351.399 1.963 40 0 FDABLO COc1cc(OC)c([C@@H]2CC[N@@H+](C)C[C@@H]2OC(C)=O)c(O)c1C(C)=O ZINC000034453314 519593108 /nfs/dbraw/zinc/59/31/08/519593108.db2.gz IGPSCQDNVKUGLW-DOMZBBRYSA-N 1 2 351.399 1.963 40 0 FDABLO Nc1[nH+]cnc2c1c(I)cn2[C@H]1CC[C@@H](CO)O1 ZINC000034239378 519594740 /nfs/dbraw/zinc/59/47/40/519594740.db2.gz OEZWDZXBBPSXGY-POYBYMJQSA-N 1 2 360.155 1.288 40 0 FDABLO CS(=O)(=O)CC(=O)N1Cc2c[nH+]cn2[C@@H](COCC2CCCC2)C1 ZINC000247536404 537131115 /nfs/dbraw/zinc/13/11/15/537131115.db2.gz QSTLMADXDGPLAB-OAHLLOKOSA-N 1 2 355.460 1.018 40 0 FDABLO COCC(=O)NC[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2c[nH+]cn21 ZINC000247843324 537153876 /nfs/dbraw/zinc/15/38/76/537153876.db2.gz OUARJRSQPUDRLG-GOSISDBHSA-N 1 2 365.437 1.751 40 0 FDABLO Cc1cccc(COC[C@@H]2CN(C(=O)c3cocn3)Cc3c[nH+]cn32)n1 ZINC000247874902 537155563 /nfs/dbraw/zinc/15/55/63/537155563.db2.gz NNVTVRQBCSUJOO-INIZCTEOSA-N 1 2 353.382 1.988 40 0 FDABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](OCC(=O)N2CCCC2)CS3)no1 ZINC000247904776 537156962 /nfs/dbraw/zinc/15/69/62/537156962.db2.gz JLTTWZBSIKUZAD-OAHLLOKOSA-N 1 2 351.472 1.682 40 0 FDABLO COc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3CCNS(C)(=O)=O)c1 ZINC000247892058 537157068 /nfs/dbraw/zinc/15/70/68/537157068.db2.gz MZLCRCMWVFXJSQ-HNNXBMFYSA-N 1 2 354.472 1.225 40 0 FDABLO CN(C)C(=O)COC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21 ZINC000247971170 537159925 /nfs/dbraw/zinc/15/99/25/537159925.db2.gz HROIWYRJVDGHDQ-INIZCTEOSA-N 1 2 372.425 1.274 40 0 FDABLO Cc1ccsc1C[NH+]1CC2(C1)CN(C)[C@H](C(=O)N1CCCCO1)CO2 ZINC000248098784 537166011 /nfs/dbraw/zinc/16/60/11/537166011.db2.gz ZKCSILZERLYGQP-HNNXBMFYSA-N 1 2 365.499 1.496 40 0 FDABLO CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222901414 537514662 /nfs/dbraw/zinc/51/46/62/537514662.db2.gz KIQQUONWIMNUOT-AWEZNQCLSA-N 1 2 351.422 1.011 40 0 FDABLO Cn1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223162501 537519097 /nfs/dbraw/zinc/51/90/97/537519097.db2.gz CYZGOOIVXCNJCU-ZWKOTPCHSA-N 1 2 371.510 1.725 40 0 FDABLO CCOc1cc([C@H](C2C(=O)NC(=S)N[C@H]2O)n2cc[nH+]c2)ccc1O ZINC000223812498 537535288 /nfs/dbraw/zinc/53/52/88/537535288.db2.gz LCEJYIXOGJTQTF-KGLIPLIRSA-N 1 2 362.411 1.143 40 0 FDABLO S=C(NCC[NH+]1CCOCC1)Nc1ccc(Oc2ccccc2)nn1 ZINC000225189201 537544131 /nfs/dbraw/zinc/54/41/31/537544131.db2.gz SAZJQVWDTZHOPO-UHFFFAOYSA-N 1 2 359.455 1.888 40 0 FDABLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000306124904 537599984 /nfs/dbraw/zinc/59/99/84/537599984.db2.gz CBYATTMXQLCAEO-MRXNPFEDSA-N 1 2 354.454 1.630 40 0 FDABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@H](CCNS(C)(=O)=O)C2)no1 ZINC000585095552 551568786 /nfs/dbraw/zinc/56/87/86/551568786.db2.gz WQCVYKUSSJNWKS-CQSZACIVSA-N 1 2 352.460 1.356 40 0 FDABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@H](CCNS(C)(=O)=O)C2)no1 ZINC000585095552 551568787 /nfs/dbraw/zinc/56/87/87/551568787.db2.gz WQCVYKUSSJNWKS-CQSZACIVSA-N 1 2 352.460 1.356 40 0 FDABLO CCOCC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000585096150 551568856 /nfs/dbraw/zinc/56/88/56/551568856.db2.gz VMHLIEFBSWAKRC-HNNXBMFYSA-N 1 2 362.455 1.223 40 0 FDABLO O=C(NCc1ccco1)[C@H]1CN(C(=O)c2cccc(O)c2)Cc2c[nH+]cn21 ZINC000585096053 551568992 /nfs/dbraw/zinc/56/89/92/551568992.db2.gz PCGXTDYDDNMMCE-QGZVFWFLSA-N 1 2 366.377 1.695 40 0 FDABLO COCC(=O)NC[C@H]1CCn2nccc2C[N@@H+]1Cc1ccccc1OC ZINC000585097193 551569972 /nfs/dbraw/zinc/56/99/72/551569972.db2.gz IMYNIHDGMWCZSY-MRXNPFEDSA-N 1 2 358.442 1.429 40 0 FDABLO COCC(=O)NC[C@H]1CCn2nccc2C[N@H+]1Cc1ccccc1OC ZINC000585097193 551569975 /nfs/dbraw/zinc/56/99/75/551569975.db2.gz IMYNIHDGMWCZSY-MRXNPFEDSA-N 1 2 358.442 1.429 40 0 FDABLO O=S(=O)(NC[C@H]1CCC2(C[NH+](Cc3cccs3)C2)OC1)C1CC1 ZINC000585103482 551571559 /nfs/dbraw/zinc/57/15/59/551571559.db2.gz BIXRKBSOSVHNPT-CYBMUJFWSA-N 1 2 356.513 1.811 40 0 FDABLO COc1ncc(C[N@@H+]2CCOC[C@](O)(COc3cccc(C)c3)C2)cn1 ZINC000585269250 551576479 /nfs/dbraw/zinc/57/64/79/551576479.db2.gz MVCVDUFTCGTOSF-IBGZPJMESA-N 1 2 359.426 1.436 40 0 FDABLO COc1ncc(C[N@H+]2CCOC[C@](O)(COc3cccc(C)c3)C2)cn1 ZINC000585269250 551576481 /nfs/dbraw/zinc/57/64/81/551576481.db2.gz MVCVDUFTCGTOSF-IBGZPJMESA-N 1 2 359.426 1.436 40 0 FDABLO Cc1cccc(C[C@@]2(CO)CN(C(=O)CCCn3cc[nH+]c3)CCO2)c1 ZINC000585278311 551577838 /nfs/dbraw/zinc/57/78/38/551577838.db2.gz RSLXKDDEIQPFTJ-FQEVSTJZSA-N 1 2 357.454 1.804 40 0 FDABLO C[C@]1(C(F)F)CN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000685938954 568434655 /nfs/dbraw/zinc/43/46/55/568434655.db2.gz QTYIMAWZQFQGKW-MRXNPFEDSA-N 1 2 351.357 1.833 40 0 FDABLO CCS(=O)(=O)NC[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000306137759 571040199 /nfs/dbraw/zinc/04/01/99/571040199.db2.gz RFEOJHJQZBTGML-MRXNPFEDSA-N 1 2 373.482 1.861 40 0 FDABLO CCS(=O)(=O)NC[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000306137759 571040202 /nfs/dbraw/zinc/04/02/02/571040202.db2.gz RFEOJHJQZBTGML-MRXNPFEDSA-N 1 2 373.482 1.861 40 0 FDABLO COCCNC(=O)Cc1cn2c(n1)[C@H](C)[N@@H+](Cc1cnn(C(C)C)c1)CC2 ZINC000306143277 571042359 /nfs/dbraw/zinc/04/23/59/571042359.db2.gz XXQLVVVYZVPZIG-HNNXBMFYSA-N 1 2 374.489 1.542 40 0 FDABLO COCCNC(=O)Cc1cn2c(n1)[C@H](C)[N@H+](Cc1cnn(C(C)C)c1)CC2 ZINC000306143277 571042361 /nfs/dbraw/zinc/04/23/61/571042361.db2.gz XXQLVVVYZVPZIG-HNNXBMFYSA-N 1 2 374.489 1.542 40 0 FDABLO Cc1nc(Nc2ncccn2)cc([C@H]2CCCC[N@H+]2CC(=O)N(C)C)n1 ZINC000257204504 571149361 /nfs/dbraw/zinc/14/93/61/571149361.db2.gz AUXUJWQMWGZHRC-OAHLLOKOSA-N 1 2 355.446 1.934 40 0 FDABLO Cc1nc(Nc2ncccn2)cc([C@H]2CCCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000257204504 571149363 /nfs/dbraw/zinc/14/93/63/571149363.db2.gz AUXUJWQMWGZHRC-OAHLLOKOSA-N 1 2 355.446 1.934 40 0 FDABLO CCN(CC)S(=O)(=O)N1CCC2(CC(Nc3cc(C)[nH+]cn3)C2)C1 ZINC000257219989 571151630 /nfs/dbraw/zinc/15/16/30/571151630.db2.gz DJCOFWDRUQYERD-UHFFFAOYSA-N 1 2 353.492 1.638 40 0 FDABLO Cc1nc2cc(C(=O)N(C)[C@@H]3CC[C@@H](n4cc[nH+]c4)[C@@H]3O)ccc2n1C ZINC000257228128 571152146 /nfs/dbraw/zinc/15/21/46/571152146.db2.gz FSKNFZIOZAOHFJ-KZNAEPCWSA-N 1 2 353.426 1.915 40 0 FDABLO NC(=O)C[C@]1(COc2cccc(Cl)c2)CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000257308093 571160544 /nfs/dbraw/zinc/16/05/44/571160544.db2.gz TVJALTGTVZHSQJ-QGZVFWFLSA-N 1 2 364.833 1.589 40 0 FDABLO NC(=O)C[C@]1(COc2cccc(Cl)c2)CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000257308093 571160545 /nfs/dbraw/zinc/16/05/45/571160545.db2.gz TVJALTGTVZHSQJ-QGZVFWFLSA-N 1 2 364.833 1.589 40 0 FDABLO Cc1ccc(=O)n(CC(=O)N2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)n1 ZINC000257316606 571161114 /nfs/dbraw/zinc/16/11/14/571161114.db2.gz VGGSPQNVAZAIFF-MRXNPFEDSA-N 1 2 355.442 1.419 40 0 FDABLO O=S(=O)(c1ccccc1)N1C[C@H]2OC[C@@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306131917 571213903 /nfs/dbraw/zinc/21/39/03/571213903.db2.gz KTCFYFUSKHJHRG-DJIMGWMZSA-N 1 2 359.451 1.829 40 0 FDABLO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000242908922 571359439 /nfs/dbraw/zinc/35/94/39/571359439.db2.gz GSAYPAIGKHIGKA-HNNXBMFYSA-N 1 2 374.528 1.043 40 0 FDABLO CNc1cc([C@@H]2CCCN(C(=O)c3cc(OC)nc(OC)n3)C2)cc[nH+]1 ZINC000257334301 210002060 /nfs/dbraw/zinc/00/20/60/210002060.db2.gz YFIAHPXGULERLP-CYBMUJFWSA-N 1 2 357.414 1.950 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)c2cc3cc(F)ccc3n2C)CC[N@@H+]1C(C)C ZINC000257340754 210005468 /nfs/dbraw/zinc/00/54/68/210005468.db2.gz ZHJVOWGHCOZDMX-QGZVFWFLSA-N 1 2 360.433 1.598 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)c2cc3cc(F)ccc3n2C)CC[N@H+]1C(C)C ZINC000257340754 210005470 /nfs/dbraw/zinc/00/54/70/210005470.db2.gz ZHJVOWGHCOZDMX-QGZVFWFLSA-N 1 2 360.433 1.598 40 0 FDABLO Cc1[nH+]cc(-c2nccnc2[C@H]2CCCN(C(=O)c3ccn(C)n3)C2)n1C ZINC000257281994 209985942 /nfs/dbraw/zinc/98/59/42/209985942.db2.gz ORVKEEOSHFCPGL-AWEZNQCLSA-N 1 2 365.441 1.939 40 0 FDABLO CN(C)c1nc(N2CCCC2)[nH+]c2c1CN(C(=O)CC(F)(F)F)CC2 ZINC000096254001 209144367 /nfs/dbraw/zinc/14/43/67/209144367.db2.gz HPGMWKUZYQOFTJ-UHFFFAOYSA-N 1 2 357.380 1.980 40 0 FDABLO Cn1ccc(C(=O)N2Cc3c[nH+]cn3C[C@H](COc3ccccn3)C2)n1 ZINC000096209403 209136713 /nfs/dbraw/zinc/13/67/13/209136713.db2.gz UAGIAVMZONAORI-CQSZACIVSA-N 1 2 352.398 1.363 40 0 FDABLO CCc1ccc(CN2CCc3n[nH]c(C(=O)N4CC[NH+](C)CC4)c3C2)o1 ZINC000096187422 209132116 /nfs/dbraw/zinc/13/21/16/209132116.db2.gz XUCZYMPUSDTMAE-UHFFFAOYSA-N 1 2 357.458 1.511 40 0 FDABLO COc1cc([C@]2(C)OC[C@H](C[NH+]3CCOCC3)O2)cc(OC)c1OC ZINC000033852240 208101538 /nfs/dbraw/zinc/10/15/38/208101538.db2.gz ZIOBPMQEBOCFLH-KBXCAEBGSA-N 1 2 353.415 1.633 40 0 in-man FDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](C(=O)NCc4cccnc4)O[C@H]3C2)no1 ZINC000096066295 209107167 /nfs/dbraw/zinc/10/71/67/209107167.db2.gz GECYBUAOAXULJH-JQHSSLGASA-N 1 2 356.426 1.674 40 0 FDABLO Cn1cc(C[N@H+]2Cc3nnn(C)c3[C@@H](COCc3ccccn3)C2)cn1 ZINC000096060765 209105197 /nfs/dbraw/zinc/10/51/97/209105197.db2.gz PTNRLGYDVAXQSF-OAHLLOKOSA-N 1 2 353.430 1.260 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3nnn(C)c3[C@@H](COCc3ccccn3)C2)cn1 ZINC000096060765 209105199 /nfs/dbraw/zinc/10/51/99/209105199.db2.gz PTNRLGYDVAXQSF-OAHLLOKOSA-N 1 2 353.430 1.260 40 0 FDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)NCc4cccnc4)O[C@H]3C2)no1 ZINC000096066295 209107164 /nfs/dbraw/zinc/10/71/64/209107164.db2.gz GECYBUAOAXULJH-JQHSSLGASA-N 1 2 356.426 1.674 40 0 FDABLO Cc1nc(CN2CCOC[C@]3(C[N@H+](Cc4ccncc4)CCO3)C2)cs1 ZINC000096049827 209102390 /nfs/dbraw/zinc/10/23/90/209102390.db2.gz LNDHIEMHHKXTLR-IBGZPJMESA-N 1 2 374.510 1.950 40 0 FDABLO Cc1nc(CN2CCOC[C@]3(C[N@@H+](Cc4ccncc4)CCO3)C2)cs1 ZINC000096049827 209102393 /nfs/dbraw/zinc/10/23/93/209102393.db2.gz LNDHIEMHHKXTLR-IBGZPJMESA-N 1 2 374.510 1.950 40 0 FDABLO CN(C)S(=O)(=O)N1Cc2[nH+]cn(C)c2[C@@H](COCC2CCCC2)C1 ZINC000096044963 209101052 /nfs/dbraw/zinc/10/10/52/209101052.db2.gz MRTIHTDNWFVKNK-CQSZACIVSA-N 1 2 356.492 1.333 40 0 FDABLO O=C1CO[C@]2(CN1c1cccnc1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096240151 132223565 /nfs/dbraw/zinc/22/35/65/132223565.db2.gz SGRVYOLFOPTCNE-LJQANCHMSA-N 1 2 354.410 1.111 40 0 FDABLO O=C1CO[C@]2(CN1c1cccnc1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096240151 132223566 /nfs/dbraw/zinc/22/35/66/132223566.db2.gz SGRVYOLFOPTCNE-LJQANCHMSA-N 1 2 354.410 1.111 40 0 FDABLO Cn1c2[nH]c(CCCCc3[nH]c4ccccc4[nH+]3)nc2c(=O)n(C)c1=O ZINC000003954148 518283517 /nfs/dbraw/zinc/28/35/17/518283517.db2.gz VEFLECDGOCHYBW-UHFFFAOYSA-N 1 2 352.398 1.402 40 0 in-vitro FDABLO CCn1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)cn1 ZINC000012142568 518591586 /nfs/dbraw/zinc/59/15/86/518591586.db2.gz BSODFVVSRADHLY-MAUKXSAKSA-N 1 2 354.458 1.791 40 0 FDABLO CCn1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)cn1 ZINC000012142568 518591592 /nfs/dbraw/zinc/59/15/92/518591592.db2.gz BSODFVVSRADHLY-MAUKXSAKSA-N 1 2 354.458 1.791 40 0 FDABLO Cc1nn(C)cc1S(=O)(=O)NC1(C[NH+]2CCOCC2)CCCCC1 ZINC000019584013 518820389 /nfs/dbraw/zinc/82/03/89/518820389.db2.gz WJGUMCLZHAESSV-UHFFFAOYSA-N 1 2 356.492 1.042 40 0 FDABLO COc1cccc(C(=O)N2CCc3nnc([C@H]4CCC[N@@H+]4C)n3CC2)c1 ZINC000019706466 518828390 /nfs/dbraw/zinc/82/83/90/518828390.db2.gz ZDEWZWFTUIVVCP-MRXNPFEDSA-N 1 2 355.442 1.752 40 0 FDABLO COc1cccc(C(=O)N2CCc3nnc([C@H]4CCC[N@H+]4C)n3CC2)c1 ZINC000019706466 518828395 /nfs/dbraw/zinc/82/83/95/518828395.db2.gz ZDEWZWFTUIVVCP-MRXNPFEDSA-N 1 2 355.442 1.752 40 0 FDABLO C[C@H](C(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1)[NH+]1CCOCC1 ZINC000072393289 522231301 /nfs/dbraw/zinc/23/13/01/522231301.db2.gz HOIFNLCUNFYTJE-CQSZACIVSA-N 1 2 371.441 1.558 40 0 FDABLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000085467233 524360032 /nfs/dbraw/zinc/36/00/32/524360032.db2.gz QGICBVHIFNFPTB-LLVKDONJSA-N 1 2 352.378 1.393 40 0 FDABLO Cc1cc(CN(C)C(=O)[C@@]2(C)CCCN(C(=O)CCn3cc[nH+]c3)C2)no1 ZINC000257279800 524653405 /nfs/dbraw/zinc/65/34/05/524653405.db2.gz OIFJCAABUXMRPO-IBGZPJMESA-N 1 2 373.457 1.857 40 0 FDABLO CCN1C(=O)[C@@H]2[C@H](c3ccc(OC)cc3)[NH2+][C@](CC)(C(=O)OC)[C@H]2C1=O ZINC000100420663 525214336 /nfs/dbraw/zinc/21/43/36/525214336.db2.gz VYHKUBZGMLCDIP-YGTYGHESSA-N 1 2 360.410 1.282 40 0 FDABLO O=S1(=O)CC[C@@H](COCc2ccccn2)C12C[NH+](C1CCOCC1)C2 ZINC000247322239 537108136 /nfs/dbraw/zinc/10/81/36/537108136.db2.gz MHEQJEOVGHWIIY-HNNXBMFYSA-N 1 2 366.483 1.266 40 0 FDABLO COc1ncccc1C[N@H+]1Cc2cccn2C[C@H](OCC(=O)N(C)C)C1 ZINC000248036200 537164056 /nfs/dbraw/zinc/16/40/56/537164056.db2.gz UTGCANOUPQILRJ-QGZVFWFLSA-N 1 2 358.442 1.381 40 0 FDABLO COc1ncccc1C[N@@H+]1Cc2cccn2C[C@H](OCC(=O)N(C)C)C1 ZINC000248036200 537164057 /nfs/dbraw/zinc/16/40/57/537164057.db2.gz UTGCANOUPQILRJ-QGZVFWFLSA-N 1 2 358.442 1.381 40 0 FDABLO CCOC[C@@H]1CC[N@H+](C)C2(CN(S(=O)(=O)c3ccc(F)cc3)C2)C1 ZINC000248103047 537166039 /nfs/dbraw/zinc/16/60/39/537166039.db2.gz FGOFQQKGJCOYQB-CQSZACIVSA-N 1 2 356.463 1.947 40 0 FDABLO CCOC[C@@H]1CC[N@@H+](C)C2(CN(S(=O)(=O)c3ccc(F)cc3)C2)C1 ZINC000248103047 537166041 /nfs/dbraw/zinc/16/60/41/537166041.db2.gz FGOFQQKGJCOYQB-CQSZACIVSA-N 1 2 356.463 1.947 40 0 FDABLO Cn1ccnc1C(=O)NCC[C@@H]1CCOC12C[NH+](Cc1ccccn1)C2 ZINC000248144348 537168323 /nfs/dbraw/zinc/16/83/23/537168323.db2.gz RIHSOOVGVNNQTJ-OAHLLOKOSA-N 1 2 355.442 1.226 40 0 FDABLO COc1ccccc1C[N@H+]1Cc2ccnn2[C@@H](CC(=O)N2CCOCC2)C1 ZINC000248152421 537169297 /nfs/dbraw/zinc/16/92/97/537169297.db2.gz XASDSOYOHMXQEB-SFHVURJKSA-N 1 2 370.453 1.698 40 0 FDABLO COc1ccccc1C[N@@H+]1Cc2ccnn2[C@@H](CC(=O)N2CCOCC2)C1 ZINC000248152421 537169299 /nfs/dbraw/zinc/16/92/99/537169299.db2.gz XASDSOYOHMXQEB-SFHVURJKSA-N 1 2 370.453 1.698 40 0 FDABLO CN(C)S(=O)(=O)c1ccc(CNC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225217416 537543612 /nfs/dbraw/zinc/54/36/12/537543612.db2.gz BERXOHXBBLTMHW-UHFFFAOYSA-N 1 2 350.469 1.819 40 0 FDABLO Cn1cc2c(n1)[C@]1(CCN(S(C)(=O)=O)C1)C[N@@H+](Cc1ccccc1)C2 ZINC000306123574 537600277 /nfs/dbraw/zinc/60/02/77/537600277.db2.gz AQQFHTNOVJNUAZ-GOSISDBHSA-N 1 2 360.483 1.339 40 0 FDABLO Cn1cc2c(n1)[C@]1(CCN(S(C)(=O)=O)C1)C[N@H+](Cc1ccccc1)C2 ZINC000306123574 537600283 /nfs/dbraw/zinc/60/02/83/537600283.db2.gz AQQFHTNOVJNUAZ-GOSISDBHSA-N 1 2 360.483 1.339 40 0 FDABLO COCCN1CC[C@]2(CN(C(=O)c3ccco3)C[C@@H]2c2cn(C)c[nH+]2)C1=O ZINC000306123864 537600519 /nfs/dbraw/zinc/60/05/19/537600519.db2.gz AYXBFIXTFLPWMJ-AUUYWEPGSA-N 1 2 372.425 1.118 40 0 FDABLO COc1ncccc1C[N@@H+]1CC[C@]2(CN(S(C)(=O)=O)c3cccnc32)C1 ZINC000306126800 537600601 /nfs/dbraw/zinc/60/06/01/537600601.db2.gz FFOZRACFDYQFNN-GOSISDBHSA-N 1 2 374.466 1.409 40 0 FDABLO COc1ncccc1C[N@H+]1CC[C@]2(CN(S(C)(=O)=O)c3cccnc32)C1 ZINC000306126800 537600609 /nfs/dbraw/zinc/60/06/09/537600609.db2.gz FFOZRACFDYQFNN-GOSISDBHSA-N 1 2 374.466 1.409 40 0 FDABLO Cc1cc(C[N@@H+]2Cc3ncn(C)c3[C@H](C(=O)NCC3CCC3)C2)n(C)n1 ZINC000306127094 537603101 /nfs/dbraw/zinc/60/31/01/537603101.db2.gz FOIAJNSWIGFRPN-MRXNPFEDSA-N 1 2 356.474 1.478 40 0 FDABLO Cc1cc(C[N@H+]2Cc3ncn(C)c3[C@H](C(=O)NCC3CCC3)C2)n(C)n1 ZINC000306127094 537603107 /nfs/dbraw/zinc/60/31/07/537603107.db2.gz FOIAJNSWIGFRPN-MRXNPFEDSA-N 1 2 356.474 1.478 40 0 FDABLO O=C(C[N@H+]1Cc2ccnn2C[C@H](CCNc2ncccn2)C1)N1CCCC1 ZINC000306131041 537603229 /nfs/dbraw/zinc/60/32/29/537603229.db2.gz JVFVDIPXSSQZLS-MRXNPFEDSA-N 1 2 369.473 1.230 40 0 FDABLO O=C(C[N@@H+]1Cc2ccnn2C[C@H](CCNc2ncccn2)C1)N1CCCC1 ZINC000306131041 537603235 /nfs/dbraw/zinc/60/32/35/537603235.db2.gz JVFVDIPXSSQZLS-MRXNPFEDSA-N 1 2 369.473 1.230 40 0 FDABLO CCC(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(CCOC)C2=O)C1 ZINC000306129209 537603491 /nfs/dbraw/zinc/60/34/91/537603491.db2.gz HXMFDLDLZWBPHM-HNAYVOBHSA-N 1 2 362.474 1.665 40 0 FDABLO O=S1(=O)CC[C@@H]([N@@H+](CCCN2CCOCC2)Cc2cccc(F)c2)C1 ZINC000575420837 550462232 /nfs/dbraw/zinc/46/22/32/550462232.db2.gz KOJCVDOTHWXHLR-GOSISDBHSA-N 1 2 370.490 1.537 40 0 FDABLO O=S1(=O)CC[C@@H]([N@H+](CCCN2CCOCC2)Cc2cccc(F)c2)C1 ZINC000575420837 550462234 /nfs/dbraw/zinc/46/22/34/550462234.db2.gz KOJCVDOTHWXHLR-GOSISDBHSA-N 1 2 370.490 1.537 40 0 FDABLO Cn1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2COCc2ccccn2)cn1 ZINC000585094705 551568499 /nfs/dbraw/zinc/56/84/99/551568499.db2.gz IQPHDJBSQQFNHZ-KRWDZBQOSA-N 1 2 352.442 1.692 40 0 FDABLO Cc1cc(C[N@H+]2CCn3c(COc4cccnc4)nnc3C[C@H]2C)no1 ZINC000585098663 551570315 /nfs/dbraw/zinc/57/03/15/551570315.db2.gz WKPZOEIZOPRSRT-CYBMUJFWSA-N 1 2 354.414 1.995 40 0 FDABLO Cc1cc(C[N@@H+]2CCn3c(COc4cccnc4)nnc3C[C@H]2C)no1 ZINC000585098663 551570318 /nfs/dbraw/zinc/57/03/18/551570318.db2.gz WKPZOEIZOPRSRT-CYBMUJFWSA-N 1 2 354.414 1.995 40 0 FDABLO O=C(NCC(F)(F)F)C1=NO[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000585101174 551570658 /nfs/dbraw/zinc/57/06/58/551570658.db2.gz KYTFEVSXHOLKRW-OAHLLOKOSA-N 1 2 356.348 1.871 40 0 FDABLO O=C(NCC(F)(F)F)C1=NO[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000585101174 551570661 /nfs/dbraw/zinc/57/06/61/551570661.db2.gz KYTFEVSXHOLKRW-OAHLLOKOSA-N 1 2 356.348 1.871 40 0 FDABLO C[C@@]1(C(=O)N2CCc3[nH+]cc(CN4CCOCC4)n3CC2)CC=CCC1 ZINC000585110639 551573673 /nfs/dbraw/zinc/57/36/73/551573673.db2.gz RNOXWDFWNWMGQL-HXUWFJFHSA-N 1 2 358.486 1.846 40 0 FDABLO CCc1ccc(N(CC(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)cc1 ZINC000408621446 570586898 /nfs/dbraw/zinc/58/68/98/570586898.db2.gz LHKFCKUZHHABAG-UHFFFAOYSA-N 1 2 364.471 1.418 40 0 FDABLO COc1ccccc1CNc1cc(-c2ccncc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329069961 571109720 /nfs/dbraw/zinc/10/97/20/571109720.db2.gz ZBWDLYRIHDDJJR-AWEZNQCLSA-N 1 2 365.437 1.796 40 0 FDABLO Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23C[NH+](CC2CCC2)C3)n1 ZINC000253478207 571135834 /nfs/dbraw/zinc/13/58/34/571135834.db2.gz JVFMYSLXBKAMTQ-HNNXBMFYSA-N 1 2 351.472 1.453 40 0 FDABLO C[N@H+](CC(=O)N1CCOC[C@@H]1CCc1cnccn1)Cc1cccnc1 ZINC000257211011 571150575 /nfs/dbraw/zinc/15/05/75/571150575.db2.gz BXCBTRHZBVTEMH-SFHVURJKSA-N 1 2 355.442 1.164 40 0 FDABLO C[N@@H+](CC(=O)N1CCOC[C@@H]1CCc1cnccn1)Cc1cccnc1 ZINC000257211011 571150579 /nfs/dbraw/zinc/15/05/79/571150579.db2.gz BXCBTRHZBVTEMH-SFHVURJKSA-N 1 2 355.442 1.164 40 0 FDABLO Nc1cc(-c2cncnc2[C@H]2CCN(S(=O)(=O)N3CCCC3)C2)cc[nH+]1 ZINC000257234015 571152733 /nfs/dbraw/zinc/15/27/33/571152733.db2.gz GRTCJTLTVDVWED-AWEZNQCLSA-N 1 2 374.470 1.251 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)CC[N@@H+]1C(C)C ZINC000257244571 571153828 /nfs/dbraw/zinc/15/38/28/571153828.db2.gz ILXPHSGZZGTJDJ-QGZVFWFLSA-N 1 2 372.469 1.094 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)CC[N@H+]1C(C)C ZINC000257244571 571153829 /nfs/dbraw/zinc/15/38/29/571153829.db2.gz ILXPHSGZZGTJDJ-QGZVFWFLSA-N 1 2 372.469 1.094 40 0 FDABLO CCCS(=O)(=O)N1CCC[C@@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257255842 571154821 /nfs/dbraw/zinc/15/48/21/571154821.db2.gz KJBJLPGABGSQQM-QGZVFWFLSA-N 1 2 353.488 1.791 40 0 FDABLO CN(C)c1cc([C@@H]2CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)cc[nH+]1 ZINC000257271397 571156601 /nfs/dbraw/zinc/15/66/01/571156601.db2.gz MYDIFJMCGANSKS-ZDUSSCGKSA-N 1 2 359.430 1.142 40 0 FDABLO Cc1cc(N2CC[C@](O)(CN(C)C(=O)CCc3cccnc3)C2)nc[nH+]1 ZINC000257280755 571157579 /nfs/dbraw/zinc/15/75/79/571157579.db2.gz OMFVRMLQSUARQU-IBGZPJMESA-N 1 2 355.442 1.212 40 0 FDABLO CC(C)N1C[C@@]2(CO[C@H](C(=O)NCC[NH+]3CCOCC3)C2)c2ccccc21 ZINC000107182084 209275879 /nfs/dbraw/zinc/27/58/79/209275879.db2.gz PMWOXOJZCLLLLO-FPOVZHCZSA-N 1 2 373.497 1.390 40 0 FDABLO COc1ccc([C@@H]2[NH+]=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000104279718 209259943 /nfs/dbraw/zinc/25/99/43/209259943.db2.gz XQQABXVZVPSCQV-MRXNPFEDSA-N 1 2 355.398 1.221 40 0 FDABLO COCCN1CC[N@H+](C)C2(CCN(C(=O)c3ccsc3)CC2)C1=O ZINC000096230071 209140690 /nfs/dbraw/zinc/14/06/90/209140690.db2.gz YXVLJCMWUJVHRI-UHFFFAOYSA-N 1 2 351.472 1.143 40 0 FDABLO COCCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccsc3)CC2)C1=O ZINC000096230071 209140693 /nfs/dbraw/zinc/14/06/93/209140693.db2.gz YXVLJCMWUJVHRI-UHFFFAOYSA-N 1 2 351.472 1.143 40 0 FDABLO O=C(c1c[nH]cn1)N1CCOC[C@@]2(C[C@@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240467 209143406 /nfs/dbraw/zinc/14/34/06/209143406.db2.gz CUHMVRXQCWRHSY-KBXCAEBGSA-N 1 2 357.414 1.165 40 0 FDABLO O=C(c1cnc[nH]1)N1CCOC[C@@]2(C[C@@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240467 209143409 /nfs/dbraw/zinc/14/34/09/209143409.db2.gz CUHMVRXQCWRHSY-KBXCAEBGSA-N 1 2 357.414 1.165 40 0 FDABLO COCC[N@@H+]1C[C@@H]2C[NH+](Cc3csc(C)n3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185176 209131350 /nfs/dbraw/zinc/13/13/50/209131350.db2.gz KQYJHAHLTRSPIV-YOEHRIQHSA-N 1 2 353.488 1.697 40 0 FDABLO COCC[N@H+]1C[C@@H]2C[NH+](Cc3csc(C)n3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185176 209131353 /nfs/dbraw/zinc/13/13/53/209131353.db2.gz KQYJHAHLTRSPIV-YOEHRIQHSA-N 1 2 353.488 1.697 40 0 FDABLO COCC[NH+]1C[C@@H]2C[N@H+](Cc3csc(C)n3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185176 209131354 /nfs/dbraw/zinc/13/13/54/209131354.db2.gz KQYJHAHLTRSPIV-YOEHRIQHSA-N 1 2 353.488 1.697 40 0 FDABLO COCC[NH+]1C[C@@H]2C[N@@H+](Cc3csc(C)n3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185176 209131357 /nfs/dbraw/zinc/13/13/57/209131357.db2.gz KQYJHAHLTRSPIV-YOEHRIQHSA-N 1 2 353.488 1.697 40 0 FDABLO Cc1cc2[nH+]c(N3CCCCC3)n([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2cc1C ZINC000004830575 207052429 /nfs/dbraw/zinc/05/24/29/207052429.db2.gz OGQTVPDRDZUIRB-BSDSXHPESA-N 1 2 361.442 1.255 40 0 FDABLO COc1cc(CN2CCc3c(N)nc(N4CCCC4)[nH+]c3C2)ccc1O ZINC000012222561 207349865 /nfs/dbraw/zinc/34/98/65/207349865.db2.gz RWDAOJJRLKDODE-UHFFFAOYSA-N 1 2 355.442 1.932 40 0 FDABLO COc1cc(C[N@@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)ccc1O ZINC000012222561 207349869 /nfs/dbraw/zinc/34/98/69/207349869.db2.gz RWDAOJJRLKDODE-UHFFFAOYSA-N 1 2 355.442 1.932 40 0 FDABLO COc1cc(C[N@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)ccc1O ZINC000012222561 207349873 /nfs/dbraw/zinc/34/98/73/207349873.db2.gz RWDAOJJRLKDODE-UHFFFAOYSA-N 1 2 355.442 1.932 40 0 FDABLO COc1ccccc1C(=O)NC1CC[NH+](CC(=O)NCc2ccco2)CC1 ZINC000035291850 208121041 /nfs/dbraw/zinc/12/10/41/208121041.db2.gz BPUSNTNHYHHQRQ-UHFFFAOYSA-N 1 2 371.437 1.799 40 0 FDABLO Cn1cc[nH+]c1CN1CCOC[C@H](Oc2ccc(S(C)(=O)=O)cc2)C1 ZINC000077265886 208199106 /nfs/dbraw/zinc/19/91/06/208199106.db2.gz NIYFGACWKUSGCT-OAHLLOKOSA-N 1 2 365.455 1.103 40 0 biogenic,in-vitro FDABLO Cn1cc(C[N@@H+]2Cc3nnn(C)c3[C@@H](COCc3ccccc3)C2)cn1 ZINC000096060801 209104280 /nfs/dbraw/zinc/10/42/80/209104280.db2.gz JJOQQBAYIKSSMX-QGZVFWFLSA-N 1 2 352.442 1.865 40 0 FDABLO Cn1cc(C[N@H+]2Cc3nnn(C)c3[C@@H](COCc3ccccc3)C2)cn1 ZINC000096060801 209104275 /nfs/dbraw/zinc/10/42/75/209104275.db2.gz JJOQQBAYIKSSMX-QGZVFWFLSA-N 1 2 352.442 1.865 40 0 FDABLO Cn1cc(N2C[C@]3(COCC[N@H+](Cc4ccc(F)cc4)C3)OCC2=O)cn1 ZINC000096051432 209101835 /nfs/dbraw/zinc/10/18/35/209101835.db2.gz CQYIYFMRVGFGSK-LJQANCHMSA-N 1 2 374.416 1.194 40 0 FDABLO Cn1cc(N2C[C@]3(COCC[N@@H+](Cc4ccc(F)cc4)C3)OCC2=O)cn1 ZINC000096051432 209101839 /nfs/dbraw/zinc/10/18/39/209101839.db2.gz CQYIYFMRVGFGSK-LJQANCHMSA-N 1 2 374.416 1.194 40 0 FDABLO O=C1CO[C@@]2(CN1c1ccccc1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096240070 132223529 /nfs/dbraw/zinc/22/35/29/132223529.db2.gz SFDLQAXIRNCDOA-FQEVSTJZSA-N 1 2 353.422 1.716 40 0 FDABLO O=C1CO[C@@]2(CN1c1ccccc1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096240070 132223531 /nfs/dbraw/zinc/22/35/31/132223531.db2.gz SFDLQAXIRNCDOA-FQEVSTJZSA-N 1 2 353.422 1.716 40 0 FDABLO Cc1noc(C)c1CC(=O)N(C)C[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257255639 132295995 /nfs/dbraw/zinc/29/59/95/132295995.db2.gz KIHUIXOIXKLHLU-LJQANCHMSA-N 1 2 358.442 1.719 40 0 FDABLO Cn1c2[nH]c(CCCCCc3[nH]c4ccccc4[nH+]3)nc2c(=O)n(C)c1=O ZINC000013284731 518655795 /nfs/dbraw/zinc/65/57/95/518655795.db2.gz MXVCQGMEKNUZSR-UHFFFAOYSA-N 1 2 366.425 1.792 40 0 FDABLO C[C@@H](C(=O)NCCn1ncc(-c2ccncc2)c1C1CC1)[NH+]1CCOCC1 ZINC000019080236 518802426 /nfs/dbraw/zinc/80/24/26/518802426.db2.gz MIDDQQWVXPCHCY-HNNXBMFYSA-N 1 2 369.469 1.659 40 0 FDABLO Cc1ncsc1C(=O)N1CCc2nnc([C@@H]3CCCC[N@H+]3C)n2CC1 ZINC000019706439 518828596 /nfs/dbraw/zinc/82/85/96/518828596.db2.gz QYPDYBZBMLJJLL-ZDUSSCGKSA-N 1 2 360.487 1.898 40 0 FDABLO Cc1ncsc1C(=O)N1CCc2nnc([C@@H]3CCCC[N@@H+]3C)n2CC1 ZINC000019706439 518828606 /nfs/dbraw/zinc/82/86/06/518828606.db2.gz QYPDYBZBMLJJLL-ZDUSSCGKSA-N 1 2 360.487 1.898 40 0 FDABLO Cn1cc(-c2cc(C(F)(F)F)nc(NCC[NH+]3CCOCC3)n2)cn1 ZINC000036618551 519624232 /nfs/dbraw/zinc/62/42/32/519624232.db2.gz UCUSNNWKGIJBSR-UHFFFAOYSA-N 1 2 356.352 1.640 40 0 FDABLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000078269258 523546237 /nfs/dbraw/zinc/54/62/37/523546237.db2.gz ZODHLSVTCICPIV-WMZOPIPTSA-N 1 2 371.485 1.136 40 0 FDABLO CC(=O)N1CCC[C@@H]2N(C(=O)C[N@@H+](C)Cc3cccnc3)CCC[C@@]21C ZINC000257296557 526578139 /nfs/dbraw/zinc/57/81/39/526578139.db2.gz RDIJPEVLWFQGKJ-ICSRJNTNSA-N 1 2 358.486 1.905 40 0 FDABLO CC(=O)N1CCC[C@@H]2N(C(=O)C[N@H+](C)Cc3cccnc3)CCC[C@@]21C ZINC000257296557 526578144 /nfs/dbraw/zinc/57/81/44/526578144.db2.gz RDIJPEVLWFQGKJ-ICSRJNTNSA-N 1 2 358.486 1.905 40 0 FDABLO O=C(CO[C@H]1Cn2nccc2C[N@H+](Cc2ccncc2)C1)N1CCCC1 ZINC000247739392 537147815 /nfs/dbraw/zinc/14/78/15/537147815.db2.gz NEABVTLJRBDQDE-GOSISDBHSA-N 1 2 355.442 1.302 40 0 FDABLO O=C(CO[C@H]1Cn2nccc2C[N@@H+](Cc2ccncc2)C1)N1CCCC1 ZINC000247739392 537147818 /nfs/dbraw/zinc/14/78/18/537147818.db2.gz NEABVTLJRBDQDE-GOSISDBHSA-N 1 2 355.442 1.302 40 0 FDABLO COc1ncccc1C(=O)N(C)C[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257210703 537150147 /nfs/dbraw/zinc/15/01/47/537150147.db2.gz BVUFCHGNOULHCE-LJQANCHMSA-N 1 2 356.426 1.589 40 0 FDABLO COCC(=O)NCC[C@H]1Cn2nccc2C[N@H+](Cc2cccnc2OC)C1 ZINC000247820609 537153334 /nfs/dbraw/zinc/15/33/34/537153334.db2.gz CXCJRJMWMVHZPR-OAHLLOKOSA-N 1 2 373.457 1.071 40 0 FDABLO COCC(=O)NCC[C@H]1Cn2nccc2C[N@@H+](Cc2cccnc2OC)C1 ZINC000247820609 537153335 /nfs/dbraw/zinc/15/33/35/537153335.db2.gz CXCJRJMWMVHZPR-OAHLLOKOSA-N 1 2 373.457 1.071 40 0 FDABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3COCC(=O)N2CCCC2)n1 ZINC000247896963 537156769 /nfs/dbraw/zinc/15/67/69/537156769.db2.gz XWGPBVBZNQJASK-QGZVFWFLSA-N 1 2 359.470 1.620 40 0 FDABLO COc1ncccc1C[NH+]1CC2(C1)C[C@@H](OCC(=O)N(C)C)CS2 ZINC000247941399 537158765 /nfs/dbraw/zinc/15/87/65/537158765.db2.gz ACMKJBVCBSELJI-CQSZACIVSA-N 1 2 351.472 1.255 40 0 FDABLO CN(C)C(=O)CO[C@H]1Cn2nccc2C[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000247984176 537161348 /nfs/dbraw/zinc/16/13/48/537161348.db2.gz KEULHZYMPPFQCY-MRXNPFEDSA-N 1 2 372.425 1.101 40 0 FDABLO CN(C)C(=O)CO[C@H]1Cn2nccc2C[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000247984176 537161350 /nfs/dbraw/zinc/16/13/50/537161350.db2.gz KEULHZYMPPFQCY-MRXNPFEDSA-N 1 2 372.425 1.101 40 0 FDABLO Cc1cnc(NC(=S)NCC[NH+]2CCOCC2)c(Br)c1 ZINC000223891841 537536121 /nfs/dbraw/zinc/53/61/21/537536121.db2.gz LLRWVDPMTWNIKB-UHFFFAOYSA-N 1 2 359.293 1.771 40 0 FDABLO C[C@H]1c2nc(CC(=O)NCC3CCC3)cn2CC[N@H+]1Cc1cnn(C)c1 ZINC000306129964 537603153 /nfs/dbraw/zinc/60/31/53/537603153.db2.gz ISRZNELEPRAUHP-AWEZNQCLSA-N 1 2 356.474 1.652 40 0 FDABLO C[C@H]1c2nc(CC(=O)NCC3CCC3)cn2CC[N@@H+]1Cc1cnn(C)c1 ZINC000306129964 537603158 /nfs/dbraw/zinc/60/31/58/537603158.db2.gz ISRZNELEPRAUHP-AWEZNQCLSA-N 1 2 356.474 1.652 40 0 FDABLO Cc1cc(C(=O)N2Cc3[nH+]cn(C)c3C[C@@H]2COc2ncccn2)no1 ZINC000585094593 551568349 /nfs/dbraw/zinc/56/83/49/551568349.db2.gz DGZVCQVDWZNHLM-GFCCVEGCSA-N 1 2 354.370 1.153 40 0 FDABLO CCS(=O)(=O)NCC[C@@H]1CCOC12C[NH+](Cc1ccc(F)cc1)C2 ZINC000585103763 551571458 /nfs/dbraw/zinc/57/14/58/551571458.db2.gz ZZKJPXRPLNVKSY-OAHLLOKOSA-N 1 2 356.463 1.746 40 0 FDABLO O=S(=O)(NCC[C@H]1CCOC12C[NH+](Cc1ccccc1F)C2)C1CC1 ZINC000585102798 551571599 /nfs/dbraw/zinc/57/15/99/551571599.db2.gz IEFIVFNRBLSVOH-HNNXBMFYSA-N 1 2 368.474 1.889 40 0 FDABLO CCc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)cc1 ZINC000585112147 551574040 /nfs/dbraw/zinc/57/40/40/551574040.db2.gz JBGQYWCQUBGXKD-SFHVURJKSA-N 1 2 362.499 1.942 40 0 FDABLO CCc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)cc1 ZINC000585112147 551574041 /nfs/dbraw/zinc/57/40/41/551574041.db2.gz JBGQYWCQUBGXKD-SFHVURJKSA-N 1 2 362.499 1.942 40 0 FDABLO COC[C@]1(CC(=O)N(C)C)C[N@H+](Cc2ccc(OC)c(F)c2)CCO1 ZINC000585278623 551577999 /nfs/dbraw/zinc/57/79/99/551577999.db2.gz PIHIQGWHQXBJGV-SFHVURJKSA-N 1 2 354.422 1.530 40 0 FDABLO COC[C@]1(CC(=O)N(C)C)C[N@@H+](Cc2ccc(OC)c(F)c2)CCO1 ZINC000585278623 551578001 /nfs/dbraw/zinc/57/80/01/551578001.db2.gz PIHIQGWHQXBJGV-SFHVURJKSA-N 1 2 354.422 1.530 40 0 FDABLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000408596177 570576383 /nfs/dbraw/zinc/57/63/83/570576383.db2.gz TTYXYXUTLKDTET-GFCCVEGCSA-N 1 2 370.862 1.410 40 0 FDABLO COc1ccccc1C[N@H+]1Cc2ncnn2C[C@H](C(=O)NCC2CC2)C1 ZINC000306134586 571038902 /nfs/dbraw/zinc/03/89/02/571038902.db2.gz NSQLTTSTPBPNRS-MRXNPFEDSA-N 1 2 355.442 1.445 40 0 FDABLO COc1ccccc1C[N@@H+]1Cc2ncnn2C[C@H](C(=O)NCC2CC2)C1 ZINC000306134586 571038904 /nfs/dbraw/zinc/03/89/04/571038904.db2.gz NSQLTTSTPBPNRS-MRXNPFEDSA-N 1 2 355.442 1.445 40 0 FDABLO Cc1cccc(COC[C@H]2CN(C(=O)c3ccn(C)n3)Cc3c[nH+]cn32)n1 ZINC000306136210 571039694 /nfs/dbraw/zinc/03/96/94/571039694.db2.gz PMUAMGOSZNEBPP-QGZVFWFLSA-N 1 2 366.425 1.734 40 0 FDABLO CC(C)n1cc(C[N@H+]2Cc3ncn(C)c3[C@H](C(=O)N3CCOCC3)C2)cn1 ZINC000306142497 571042572 /nfs/dbraw/zinc/04/25/72/571042572.db2.gz XASXKLIHZWJQGD-MRXNPFEDSA-N 1 2 372.473 1.156 40 0 FDABLO CC(C)n1cc(C[N@@H+]2Cc3ncn(C)c3[C@H](C(=O)N3CCOCC3)C2)cn1 ZINC000306142497 571042574 /nfs/dbraw/zinc/04/25/74/571042574.db2.gz XASXKLIHZWJQGD-MRXNPFEDSA-N 1 2 372.473 1.156 40 0 FDABLO C[C@@H](CO)Nc1nc(NCCc2ccccn2)cc(-c2ccncc2)[nH+]1 ZINC000328971173 571105698 /nfs/dbraw/zinc/10/56/98/571105698.db2.gz DNRPICCUKFIDTC-AWEZNQCLSA-N 1 2 350.426 1.225 40 0 FDABLO COc1cccc(CNc2cc(-c3cccnc3)[nH+]c(NCCO)n2)c1 ZINC000329063952 571109512 /nfs/dbraw/zinc/10/95/12/571109512.db2.gz XGULHLUCDFDCLA-UHFFFAOYSA-N 1 2 351.410 1.407 40 0 FDABLO C[C@H]1c2nc(CC(=O)N3CCOCC3)cn2CC[N@H+]1Cc1cccnc1 ZINC000253590882 571138539 /nfs/dbraw/zinc/13/85/39/571138539.db2.gz GVZVFYCHPWWOPQ-HNNXBMFYSA-N 1 2 355.442 1.256 40 0 FDABLO C[C@H]1c2nc(CC(=O)N3CCOCC3)cn2CC[N@@H+]1Cc1cccnc1 ZINC000253590882 571138542 /nfs/dbraw/zinc/13/85/42/571138542.db2.gz GVZVFYCHPWWOPQ-HNNXBMFYSA-N 1 2 355.442 1.256 40 0 FDABLO CCCn1cc[nH+]c1CN1CCO[C@@H](c2nccc(CNC(C)=O)n2)C1 ZINC000257222993 571151921 /nfs/dbraw/zinc/15/19/21/571151921.db2.gz DVKJVYCNIVMQPZ-MRXNPFEDSA-N 1 2 358.446 1.293 40 0 FDABLO Cc1[nH+]cc(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)n1C ZINC000257249626 571153999 /nfs/dbraw/zinc/15/39/99/571153999.db2.gz JJCSOGCAIVOXHO-UHFFFAOYSA-N 1 2 364.475 1.171 40 0 FDABLO CCn1nc(C(C)C)cc1C(=O)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257261083 571155404 /nfs/dbraw/zinc/15/54/04/571155404.db2.gz LFQSKGYZTNNNPW-LJQANCHMSA-N 1 2 357.458 1.793 40 0 FDABLO Cn1ccc(C(=O)N2CCC[C@@H]2c2cccc(C[NH+]3CCOCC3)n2)n1 ZINC000257259084 571155416 /nfs/dbraw/zinc/15/54/16/571155416.db2.gz KWTQOUHXEZQBQK-GOSISDBHSA-N 1 2 355.442 1.625 40 0 FDABLO CC(=O)N1CCC(C)(c2cc(C(=O)NCc3cn(C)c[nH+]3)nc(C)n2)CC1 ZINC000257291896 571158745 /nfs/dbraw/zinc/15/87/45/571158745.db2.gz QJCLNVFADBQILF-UHFFFAOYSA-N 1 2 370.457 1.349 40 0 FDABLO CC(C)c1nnc(CCC(=O)NC[C@]2(O)CCN(c3cccc[nH+]3)C2)o1 ZINC000257302518 571159895 /nfs/dbraw/zinc/15/98/95/571159895.db2.gz SDEYXNADBORQGS-GOSISDBHSA-N 1 2 359.430 1.278 40 0 FDABLO O=C(c1[nH]nc2ccccc21)N1CCC[C@@](O)(C[NH+]2CCOCC2)CC1 ZINC000257313091 571160775 /nfs/dbraw/zinc/16/07/75/571160775.db2.gz UQZYLEFPOAKZGJ-IBGZPJMESA-N 1 2 358.442 1.252 40 0 FDABLO Cc1[nH+]cc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cnccn3)C2)n1C ZINC000257336454 210002013 /nfs/dbraw/zinc/00/20/13/210002013.db2.gz YOMLYJNKYGEGBB-CQSZACIVSA-N 1 2 363.425 1.995 40 0 FDABLO COc1ccccc1C[N@@H+]1CCO[C@H](c2nccc(CNC(C)=O)n2)C1 ZINC000257294820 223053843 /nfs/dbraw/zinc/05/38/43/223053843.db2.gz QVWHWBCELXBJCP-SFHVURJKSA-N 1 2 356.426 1.695 40 0 FDABLO COc1ccccc1C[N@H+]1CCO[C@H](c2nccc(CNC(C)=O)n2)C1 ZINC000257294820 223053846 /nfs/dbraw/zinc/05/38/46/223053846.db2.gz QVWHWBCELXBJCP-SFHVURJKSA-N 1 2 356.426 1.695 40 0 FDABLO Cc1cc(C(=O)N2CC[C@@H]3OCC[N@H+](Cc4cccnc4)[C@H]3CC2)no1 ZINC000096249396 209144377 /nfs/dbraw/zinc/14/43/77/209144377.db2.gz PITJUEUJSVIBOT-ROUUACIJSA-N 1 2 356.426 1.884 40 0 FDABLO Cc1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](Cc4cccnc4)[C@H]3CC2)no1 ZINC000096249396 209144379 /nfs/dbraw/zinc/14/43/79/209144379.db2.gz PITJUEUJSVIBOT-ROUUACIJSA-N 1 2 356.426 1.884 40 0 FDABLO O=C(COCc1nnn2c1C[N@H+](Cc1ccoc1)CCC2)N1CCCC1 ZINC000096259006 209146281 /nfs/dbraw/zinc/14/62/81/209146281.db2.gz PYFRGLRJBNHDKT-UHFFFAOYSA-N 1 2 359.430 1.416 40 0 FDABLO O=C(COCc1nnn2c1C[N@@H+](Cc1ccoc1)CCC2)N1CCCC1 ZINC000096259006 209146284 /nfs/dbraw/zinc/14/62/84/209146284.db2.gz PYFRGLRJBNHDKT-UHFFFAOYSA-N 1 2 359.430 1.416 40 0 FDABLO Cc1noc(C)c1C[N@@H+]1CC[C@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 ZINC000096225792 209139511 /nfs/dbraw/zinc/13/95/11/209139511.db2.gz MZTPKBGUADUKSH-IBGZPJMESA-N 1 2 369.425 1.724 40 0 FDABLO Cc1noc(C)c1C[N@H+]1CC[C@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 ZINC000096225792 209139513 /nfs/dbraw/zinc/13/95/13/209139513.db2.gz MZTPKBGUADUKSH-IBGZPJMESA-N 1 2 369.425 1.724 40 0 FDABLO Cc1nnc(N2C[C@@H]3C[N@H+](Cc4csc(C)n4)CCO[C@@H]3C2)s1 ZINC000096219848 209137128 /nfs/dbraw/zinc/13/71/28/209137128.db2.gz GEOWBHDRVSYWJK-GXTWGEPZSA-N 1 2 351.501 1.949 40 0 FDABLO Cc1nnc(N2C[C@@H]3C[N@@H+](Cc4csc(C)n4)CCO[C@@H]3C2)s1 ZINC000096219848 209137131 /nfs/dbraw/zinc/13/71/31/209137131.db2.gz GEOWBHDRVSYWJK-GXTWGEPZSA-N 1 2 351.501 1.949 40 0 FDABLO O=C(c1ccoc1)N1CCOC[C@@]2(CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC000096160295 209127283 /nfs/dbraw/zinc/12/72/83/209127283.db2.gz RWTYGNGLAUITAZ-FUHWJXTLSA-N 1 2 350.415 1.002 40 0 FDABLO CCn1c(=O)c2c(nc3n2CCN3c2ccc([NH+](C)C)cc2)n(C)c1=O ZINC000010109135 207294442 /nfs/dbraw/zinc/29/44/42/207294442.db2.gz IIFHEABKAUNLLC-UHFFFAOYSA-N 1 2 354.414 1.134 40 0 FDABLO C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N[C@@H](Cc1cccs1)c1nccs1 ZINC000012225866 207349585 /nfs/dbraw/zinc/34/95/85/207349585.db2.gz GUUBBLMTXBVKIB-QWHCGFSZSA-N 1 2 364.496 1.425 40 0 FDABLO C[N@H+]1CCNC(=O)[C@H]1CC(=O)N[C@@H](Cc1cccs1)c1nccs1 ZINC000012225866 207349589 /nfs/dbraw/zinc/34/95/89/207349589.db2.gz GUUBBLMTXBVKIB-QWHCGFSZSA-N 1 2 364.496 1.425 40 0 FDABLO Cc1nn(C)cc1S(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000012239202 207351177 /nfs/dbraw/zinc/35/11/77/207351177.db2.gz YHOSSHUEJNEGOZ-AWEZNQCLSA-N 1 2 356.879 1.963 40 0 FDABLO Cn1cc(C[N@H+]2Cc3nnn(C)c3[C@H](COCc3ccncc3)C2)cn1 ZINC000096060746 209103953 /nfs/dbraw/zinc/10/39/53/209103953.db2.gz RVHYYJVLDKJWIA-INIZCTEOSA-N 1 2 353.430 1.260 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3nnn(C)c3[C@H](COCc3ccncc3)C2)cn1 ZINC000096060746 209103955 /nfs/dbraw/zinc/10/39/55/209103955.db2.gz RVHYYJVLDKJWIA-INIZCTEOSA-N 1 2 353.430 1.260 40 0 FDABLO Cc1ccccc1N1C[C@]2(COCC[N@@H+](Cc3nccn3C)C2)OCC1=O ZINC000096240107 132223676 /nfs/dbraw/zinc/22/36/76/132223676.db2.gz ADMRNHZEBQOWJV-HXUWFJFHSA-N 1 2 370.453 1.363 40 0 FDABLO Cc1ccccc1N1C[C@]2(COCC[N@H+](Cc3nccn3C)C2)OCC1=O ZINC000096240107 132223677 /nfs/dbraw/zinc/22/36/77/132223677.db2.gz ADMRNHZEBQOWJV-HXUWFJFHSA-N 1 2 370.453 1.363 40 0 FDABLO Cc1ccccc1N1C[C@]2(COCCN(Cc3[nH+]ccn3C)C2)OCC1=O ZINC000096240107 132223678 /nfs/dbraw/zinc/22/36/78/132223678.db2.gz ADMRNHZEBQOWJV-HXUWFJFHSA-N 1 2 370.453 1.363 40 0 FDABLO Cc1cc(N2CCC[C@@](O)(CNC(=O)Cc3ccccc3F)C2)nc[nH+]1 ZINC000257269607 132296095 /nfs/dbraw/zinc/29/60/95/132296095.db2.gz MQQUQUNYMNDMJV-LJQANCHMSA-N 1 2 358.417 1.614 40 0 FDABLO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)Cc3cccnc3)C2)nc[nH+]1 ZINC000257301748 132296689 /nfs/dbraw/zinc/29/66/89/132296689.db2.gz RZURIFMATQPFIS-IBGZPJMESA-N 1 2 355.442 1.212 40 0 FDABLO CCN(CC)S(=O)(=O)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000074170087 172074823 /nfs/dbraw/zinc/07/48/23/172074823.db2.gz JHKGZFLXTIJAKN-UHFFFAOYSA-N 1 2 359.517 1.064 40 0 FDABLO CN1CC[C@]2(C[C@H](NC(=O)Cn3cc[nH+]c3)c3ccccc3O2)CCC1=O ZINC000012221361 518597230 /nfs/dbraw/zinc/59/72/30/518597230.db2.gz NWZASRJGPCGMRN-JXFKEZNVSA-N 1 2 368.437 1.904 40 0 FDABLO OCC[NH+](/C=C/c1nnnn1-c1ccc(-c2ccccc2)cc1)CCO ZINC000016493207 518761090 /nfs/dbraw/zinc/76/10/90/518761090.db2.gz NVLJEZBUQRJDDG-ZHACJKMWSA-N 1 2 351.410 1.587 40 0 FDABLO CCn1cc(C[NH+]2CCN(C(=O)[C@H](C)n3cc(Cl)cn3)CC2)c(C)n1 ZINC000019524563 518815411 /nfs/dbraw/zinc/81/54/11/518815411.db2.gz FSRKJCWAYRDBDK-AWEZNQCLSA-N 1 2 364.881 1.967 40 0 FDABLO CNC(=O)[C@@H](c1ccc(OC)cc1)[N@@H+]1CCC[C@H]1C(=O)N1CCCCC1 ZINC000096113009 525135211 /nfs/dbraw/zinc/13/52/11/525135211.db2.gz UQRIFSVQTHYWGG-ZWKOTPCHSA-N 1 2 359.470 1.959 40 0 biogenic,in-vitro FDABLO CNC(=O)[C@@H](c1ccc(OC)cc1)[N@H+]1CCC[C@H]1C(=O)N1CCCCC1 ZINC000096113009 525135217 /nfs/dbraw/zinc/13/52/17/525135217.db2.gz UQRIFSVQTHYWGG-ZWKOTPCHSA-N 1 2 359.470 1.959 40 0 biogenic,in-vitro FDABLO O=C([C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21)N1CCOCC1 ZINC000247804955 537150995 /nfs/dbraw/zinc/15/09/95/537150995.db2.gz AEDTXBBHKCBBHI-IBGZPJMESA-N 1 2 365.437 1.780 40 0 FDABLO O=C([C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21)N1CCOCC1 ZINC000247804955 537150997 /nfs/dbraw/zinc/15/09/97/537150997.db2.gz AEDTXBBHKCBBHI-IBGZPJMESA-N 1 2 365.437 1.780 40 0 FDABLO COCC(=O)NC[C@H]1Cn2nccc2C[N@H+](Cc2cccc(Cl)c2)C1 ZINC000247838472 537153240 /nfs/dbraw/zinc/15/32/40/537153240.db2.gz MYPSAQPKELHLTG-OAHLLOKOSA-N 1 2 362.861 1.931 40 0 FDABLO COCC(=O)NC[C@H]1Cn2nccc2C[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000247838472 537153242 /nfs/dbraw/zinc/15/32/42/537153242.db2.gz MYPSAQPKELHLTG-OAHLLOKOSA-N 1 2 362.861 1.931 40 0 FDABLO CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222901472 537514830 /nfs/dbraw/zinc/51/48/30/537514830.db2.gz KIQQUONWIMNUOT-CQSZACIVSA-N 1 2 351.422 1.011 40 0 FDABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccc[nH]2)N1CC[NH+]1CCOCC1 ZINC000223126621 537518585 /nfs/dbraw/zinc/51/85/85/537518585.db2.gz ZZQKIMIVRWNTQJ-IRXDYDNUSA-N 1 2 357.483 1.714 40 0 FDABLO CCOc1cc([C@@H](C2C(=O)NC(=S)N[C@@H]2O)n2cc[nH+]c2)ccc1O ZINC000223812467 537536677 /nfs/dbraw/zinc/53/66/77/537536677.db2.gz LCEJYIXOGJTQTF-UONOGXRCSA-N 1 2 362.411 1.143 40 0 FDABLO CC(C)[C@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000225223058 537544046 /nfs/dbraw/zinc/54/40/46/537544046.db2.gz KLQZMMVJQUNHAK-HNNXBMFYSA-N 1 2 367.515 1.538 40 0 FDABLO COc1cc(C[NH+]2CCN(C(=S)NC3CC3)CC2)cc(OC)c1OC ZINC000225224381 537544454 /nfs/dbraw/zinc/54/44/54/537544454.db2.gz ABCSIAZQLZEUKU-UHFFFAOYSA-N 1 2 365.499 1.867 40 0 FDABLO CS(=O)(=O)NC[C@H]1CN(Cc2cccc3[nH]ccc32)Cc2c[nH+]cn21 ZINC000306129879 537602954 /nfs/dbraw/zinc/60/29/54/537602954.db2.gz IPNPLEUKSVEYII-HNNXBMFYSA-N 1 2 359.455 1.471 40 0 FDABLO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@H](CNS(=O)(=O)C3CC3)C2)o1 ZINC000306144754 537604899 /nfs/dbraw/zinc/60/48/99/537604899.db2.gz ZNQPUOXLKCFIOJ-CQSZACIVSA-N 1 2 364.471 1.498 40 0 FDABLO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@H](CNS(=O)(=O)C3CC3)C2)o1 ZINC000306144754 537604905 /nfs/dbraw/zinc/60/49/05/537604905.db2.gz ZNQPUOXLKCFIOJ-CQSZACIVSA-N 1 2 364.471 1.498 40 0 FDABLO Cn1cccc1[C@H](c1noc([C@H]([NH3+])CCS(C)(=O)=O)n1)n1cccc1 ZINC000409438898 537850305 /nfs/dbraw/zinc/85/03/05/537850305.db2.gz DWBJIKDNYWZHFP-TZMCWYRMSA-N 1 2 363.443 1.282 40 0 FDABLO C[C@@H]1C[C@@H]1C(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000585096097 551568791 /nfs/dbraw/zinc/56/87/91/551568791.db2.gz QQQHDRYOTUMUEB-KCXAZCMYSA-N 1 2 358.467 1.843 40 0 FDABLO Cc1cc(C[N@H+]2CCn3c(COc4ccccn4)nnc3C[C@@H]2C)n[nH]1 ZINC000585098278 551570462 /nfs/dbraw/zinc/57/04/62/551570462.db2.gz SWTGQNWETHVKQV-AWEZNQCLSA-N 1 2 353.430 1.730 40 0 FDABLO Cc1cc(C[N@@H+]2CCn3c(COc4ccccn4)nnc3C[C@@H]2C)n[nH]1 ZINC000585098278 551570464 /nfs/dbraw/zinc/57/04/64/551570464.db2.gz SWTGQNWETHVKQV-AWEZNQCLSA-N 1 2 353.430 1.730 40 0 FDABLO CS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3cccc(Cl)c3)C2)OC1 ZINC000585104442 551571875 /nfs/dbraw/zinc/57/18/75/551571875.db2.gz IQIOGDJUTYOAQI-AWEZNQCLSA-N 1 2 358.891 1.870 40 0 FDABLO Cc1snnc1C(=O)N1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000585113563 551575085 /nfs/dbraw/zinc/57/50/85/551575085.db2.gz UUPATEPKKMWQDG-QGZVFWFLSA-N 1 2 359.455 1.611 40 0 FDABLO CC(=O)N1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1Cc1cccc(F)c1 ZINC000585281378 551578515 /nfs/dbraw/zinc/57/85/15/551578515.db2.gz WSZVZCZKHGTPNO-ROUUACIJSA-N 1 2 358.417 1.761 40 0 FDABLO Cc1ccc(N(CC(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)cc1 ZINC000408621502 570586918 /nfs/dbraw/zinc/58/69/18/570586918.db2.gz SIQPOPYWVFCBTL-UHFFFAOYSA-N 1 2 350.444 1.164 40 0 FDABLO CCC(=O)Nc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)ccc1OC ZINC000408696420 570650619 /nfs/dbraw/zinc/65/06/19/570650619.db2.gz BGSQTLHHRBWULN-UHFFFAOYSA-N 1 2 366.443 1.609 40 0 FDABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](CC)CC2)cc1NC(=O)CC ZINC000408698645 570651945 /nfs/dbraw/zinc/65/19/45/570651945.db2.gz QWDIZXPRXBACJC-UHFFFAOYSA-N 1 2 369.487 1.760 40 0 FDABLO CNc1cc([C@@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)cc[nH+]1 ZINC000257225589 571152166 /nfs/dbraw/zinc/15/21/66/571152166.db2.gz FGXHTQFRPGMTCG-CYBMUJFWSA-N 1 2 359.430 1.160 40 0 FDABLO CN(C)c1cc([C@H]2CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)cc[nH+]1 ZINC000257271396 571156634 /nfs/dbraw/zinc/15/66/34/571156634.db2.gz MYDIFJMCGANSKS-CYBMUJFWSA-N 1 2 359.430 1.142 40 0 FDABLO Cc1[nH+]cc(-c2nccnc2C2CCN(C(=O)c3cnn(C)c3)CC2)n1C ZINC000257270989 571156648 /nfs/dbraw/zinc/15/66/48/571156648.db2.gz MWKPPDQGYUTVBB-UHFFFAOYSA-N 1 2 365.441 1.939 40 0 FDABLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1O)c1cnccn1 ZINC000257328583 210001393 /nfs/dbraw/zinc/00/13/93/210001393.db2.gz XGHRXKLRLRLIKX-HUUCEWRRSA-N 1 2 350.781 1.244 40 0 FDABLO O=C(N[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1O)c1cnccn1 ZINC000257328583 210001396 /nfs/dbraw/zinc/00/13/96/210001396.db2.gz XGHRXKLRLRLIKX-HUUCEWRRSA-N 1 2 350.781 1.244 40 0 FDABLO COCCNC(=O)C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000247881822 209917733 /nfs/dbraw/zinc/91/77/33/209917733.db2.gz QDPUGBAUSHSGID-MRXNPFEDSA-N 1 2 372.425 1.321 40 0 FDABLO COCCNC(=O)C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000247881822 209917735 /nfs/dbraw/zinc/91/77/35/209917735.db2.gz QDPUGBAUSHSGID-MRXNPFEDSA-N 1 2 372.425 1.321 40 0 FDABLO CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CCN(C(=O)N1CCOCC1)C2 ZINC000096254199 209145428 /nfs/dbraw/zinc/14/54/28/209145428.db2.gz AZSLIIVFXIQCMO-UHFFFAOYSA-N 1 2 360.462 1.682 40 0 FDABLO O=C(Cc1cccnc1)N1CCC[C@@]2(C1)COCC[N@H+](Cc1cc[nH]n1)C2 ZINC000096228853 209140847 /nfs/dbraw/zinc/14/08/47/209140847.db2.gz RKZIVDUJGLHIEO-HXUWFJFHSA-N 1 2 369.469 1.488 40 0 FDABLO O=C(Cc1cccnc1)N1CCC[C@@]2(C1)COCC[N@@H+](Cc1cc[nH]n1)C2 ZINC000096228853 209140851 /nfs/dbraw/zinc/14/08/51/209140851.db2.gz RKZIVDUJGLHIEO-HXUWFJFHSA-N 1 2 369.469 1.488 40 0 FDABLO COc1ncccc1C(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC000096207385 209134006 /nfs/dbraw/zinc/13/40/06/209134006.db2.gz NTLWMQBFHLSHKN-OAHLLOKOSA-N 1 2 356.426 1.986 40 0 FDABLO CNC(=O)c1cc2c([nH+]c1NCC1CC1)CCN(c1ncccn1)CC2 ZINC000096086821 209110281 /nfs/dbraw/zinc/11/02/81/209110281.db2.gz BUHFSSROSVGTGL-UHFFFAOYSA-N 1 2 352.442 1.658 40 0 FDABLO Cn1ccnc1C[N@@H+]1CC[C@@]2(C1)COCCN(C(=O)c1cccnc1)C2 ZINC000096062369 209106302 /nfs/dbraw/zinc/10/63/02/209106302.db2.gz NMXOEXDSXILRKN-IBGZPJMESA-N 1 2 355.442 1.180 40 0 FDABLO Cn1ccnc1C[N@H+]1CC[C@@]2(C1)COCCN(C(=O)c1cccnc1)C2 ZINC000096062369 209106306 /nfs/dbraw/zinc/10/63/06/209106306.db2.gz NMXOEXDSXILRKN-IBGZPJMESA-N 1 2 355.442 1.180 40 0 FDABLO O=C(C1CCOCC1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000096061705 209105147 /nfs/dbraw/zinc/10/51/47/209105147.db2.gz LDKNPDMUNHVRMV-UXHICEINSA-N 1 2 358.482 1.957 40 0 FDABLO c1csc(CN2CCOC[C@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)n1 ZINC000096052355 209102431 /nfs/dbraw/zinc/10/24/31/209102431.db2.gz XLCPJEUITFTDJD-WBVHZDCISA-N 1 2 353.488 1.225 40 0 FDABLO O=C(c1ccccn1)N1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096048940 209101615 /nfs/dbraw/zinc/10/16/15/209101615.db2.gz ZXSLQELJKNFFNO-UHFFFAOYSA-N 1 2 352.438 1.984 40 0 FDABLO O=C(c1ccccn1)N1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096048940 209101620 /nfs/dbraw/zinc/10/16/20/209101620.db2.gz ZXSLQELJKNFFNO-UHFFFAOYSA-N 1 2 352.438 1.984 40 0 FDABLO Cn1ccnc1C[N@@H+]1CCOC[C@]2(CN(c3ccc(F)cc3)C(=O)CO2)C1 ZINC000096240127 132223680 /nfs/dbraw/zinc/22/36/80/132223680.db2.gz RWRPWWLPCHPIGN-LJQANCHMSA-N 1 2 374.416 1.194 40 0 FDABLO Cn1ccnc1C[N@H+]1CCOC[C@]2(CN(c3ccc(F)cc3)C(=O)CO2)C1 ZINC000096240127 132223681 /nfs/dbraw/zinc/22/36/81/132223681.db2.gz RWRPWWLPCHPIGN-LJQANCHMSA-N 1 2 374.416 1.194 40 0 FDABLO Cn1cc[nH+]c1CN1CCOC[C@]2(CN(c3ccc(F)cc3)C(=O)CO2)C1 ZINC000096240127 132223682 /nfs/dbraw/zinc/22/36/82/132223682.db2.gz RWRPWWLPCHPIGN-LJQANCHMSA-N 1 2 374.416 1.194 40 0 FDABLO O=C(NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1)c1noc2c1CCCC2 ZINC000257296250 132296846 /nfs/dbraw/zinc/29/68/46/132296846.db2.gz RBXDUVPFMHJFBW-IBGZPJMESA-N 1 2 356.426 1.710 40 0 FDABLO CO[C@H]1CC[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@@]12CCCO2 ZINC000257315545 132297145 /nfs/dbraw/zinc/29/71/45/132297145.db2.gz VBXDIXYHHROLPX-LPHOPBHVSA-N 1 2 359.426 1.242 40 0 FDABLO CO[C@H]1CC[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@@]12CCCO2 ZINC000257315545 132297147 /nfs/dbraw/zinc/29/71/47/132297147.db2.gz VBXDIXYHHROLPX-LPHOPBHVSA-N 1 2 359.426 1.242 40 0 FDABLO CNc1nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)nc2c1C[N@H+](C)CC2 ZINC000019753244 518835783 /nfs/dbraw/zinc/83/57/83/518835783.db2.gz FUFSROXJWUGJDK-OAHLLOKOSA-N 1 2 366.469 1.921 40 0 FDABLO CNc1nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019753244 518835789 /nfs/dbraw/zinc/83/57/89/518835789.db2.gz FUFSROXJWUGJDK-OAHLLOKOSA-N 1 2 366.469 1.921 40 0 FDABLO COCC(=O)NC[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000247824483 537153172 /nfs/dbraw/zinc/15/31/72/537153172.db2.gz IZJMCEGIUSRMOL-MRXNPFEDSA-N 1 2 353.426 1.684 40 0 FDABLO COCC(=O)NC[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000247824483 537153175 /nfs/dbraw/zinc/15/31/75/537153175.db2.gz IZJMCEGIUSRMOL-MRXNPFEDSA-N 1 2 353.426 1.684 40 0 FDABLO Cc1csc(CN2CC3(C2)C[N@H+](CC2CC2)[C@H](C(=O)N(C)C)CO3)n1 ZINC000248034742 537164151 /nfs/dbraw/zinc/16/41/51/537164151.db2.gz ULUQYEYSEULWFB-HNNXBMFYSA-N 1 2 364.515 1.205 40 0 FDABLO Cc1csc(CN2CC3(C2)C[N@@H+](CC2CC2)[C@H](C(=O)N(C)C)CO3)n1 ZINC000248034742 537164153 /nfs/dbraw/zinc/16/41/53/537164153.db2.gz ULUQYEYSEULWFB-HNNXBMFYSA-N 1 2 364.515 1.205 40 0 FDABLO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000248076052 537165458 /nfs/dbraw/zinc/16/54/58/537165458.db2.gz ZDXSZWLGRYUQOI-CQSZACIVSA-N 1 2 356.426 1.773 40 0 FDABLO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000248076052 537165461 /nfs/dbraw/zinc/16/54/61/537165461.db2.gz ZDXSZWLGRYUQOI-CQSZACIVSA-N 1 2 356.426 1.773 40 0 FDABLO CCOC[C@H]1CC[N@H+](C)C2(CN(S(=O)(=O)c3cccc(F)c3)C2)C1 ZINC000248121803 537167165 /nfs/dbraw/zinc/16/71/65/537167165.db2.gz KKVBVKAFQWTRBZ-AWEZNQCLSA-N 1 2 356.463 1.947 40 0 FDABLO CCOC[C@H]1CC[N@@H+](C)C2(CN(S(=O)(=O)c3cccc(F)c3)C2)C1 ZINC000248121803 537167166 /nfs/dbraw/zinc/16/71/66/537167166.db2.gz KKVBVKAFQWTRBZ-AWEZNQCLSA-N 1 2 356.463 1.947 40 0 FDABLO CCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222905653 537515299 /nfs/dbraw/zinc/51/52/99/537515299.db2.gz IICCGYKNFNUBHL-OAHLLOKOSA-N 1 2 365.449 1.401 40 0 FDABLO CS(=O)(=O)CC[C@H]([NH3+])c1nc([C@H](c2ccccc2)n2cccc2)no1 ZINC000409438473 537850906 /nfs/dbraw/zinc/85/09/06/537850906.db2.gz CTYKYZROERTKJY-GJZGRUSLSA-N 1 2 360.439 1.943 40 0 FDABLO O=C(NC1CCCC1)[C@H]1CN(C(=O)c2cccc(O)c2)Cc2c[nH+]cn21 ZINC000585095950 551568769 /nfs/dbraw/zinc/56/87/69/551568769.db2.gz GEPDBCMZSVNTJB-QGZVFWFLSA-N 1 2 354.410 1.845 40 0 FDABLO O=C(c1cccc(O)c1)N1Cc2c[nH+]cn2[C@H](C(=O)N2CCCCO2)C1 ZINC000585095917 551568846 /nfs/dbraw/zinc/56/88/46/551568846.db2.gz BIHOVBLUKHIWSW-INIZCTEOSA-N 1 2 356.382 1.340 40 0 FDABLO Cc1cc(C[N@H+]2CCn3c(COc4ccccn4)nnc3C[C@H]2C)no1 ZINC000585098521 551570272 /nfs/dbraw/zinc/57/02/72/551570272.db2.gz UMZISYFEQKJMPI-CYBMUJFWSA-N 1 2 354.414 1.995 40 0 FDABLO Cc1cc(C[N@@H+]2CCn3c(COc4ccccn4)nnc3C[C@H]2C)no1 ZINC000585098521 551570274 /nfs/dbraw/zinc/57/02/74/551570274.db2.gz UMZISYFEQKJMPI-CYBMUJFWSA-N 1 2 354.414 1.995 40 0 FDABLO Cc1ccnc(C(=O)N2Cc3ccnn3CC[C@H]2C[NH+]2CCOCC2)c1 ZINC000585098642 551570382 /nfs/dbraw/zinc/57/03/82/551570382.db2.gz ZWYIEDAHRDDUIT-INIZCTEOSA-N 1 2 355.442 1.333 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)CC[N@@H+]1CCc1ccccc1 ZINC000585168402 551576016 /nfs/dbraw/zinc/57/60/16/551576016.db2.gz RTJBALDLNKFCSB-LJQANCHMSA-N 1 2 369.440 1.941 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)CC[N@H+]1CCc1ccccc1 ZINC000585168402 551576018 /nfs/dbraw/zinc/57/60/18/551576018.db2.gz RTJBALDLNKFCSB-LJQANCHMSA-N 1 2 369.440 1.941 40 0 FDABLO Cc1nn(C)c(C)c1/C=C/C(=O)N(C)[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000585290152 551579795 /nfs/dbraw/zinc/57/97/95/551579795.db2.gz UIVCIRMCYVZOCE-LATQFLISSA-N 1 2 357.458 1.860 40 0 FDABLO CCNS(=O)(=O)c1ccc(CCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408589827 570568102 /nfs/dbraw/zinc/56/81/02/570568102.db2.gz FSRONJSSIDFSJW-UHFFFAOYSA-N 1 2 364.471 1.320 40 0 FDABLO Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408596364 570576376 /nfs/dbraw/zinc/57/63/76/570576376.db2.gz ULFSAWVFIHAEHK-CQSZACIVSA-N 1 2 350.444 1.065 40 0 FDABLO Cc1[nH+]cc(-c2nccnc2C2CCN(C(=O)c3ccn(C)n3)CC2)n1C ZINC000257276165 571157175 /nfs/dbraw/zinc/15/71/75/571157175.db2.gz NSPHZYVVAQBVEY-UHFFFAOYSA-N 1 2 365.441 1.939 40 0 FDABLO Cc1noc2nc(C)cc(C(=O)N3CC[C@H](O)[C@@H](n4cc[nH+]c4)CC3)c12 ZINC000257276216 571157295 /nfs/dbraw/zinc/15/72/95/571157295.db2.gz NSVRAKQIMDASRP-GJZGRUSLSA-N 1 2 355.398 1.874 40 0 FDABLO Cc1ccnc([C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CCO2)n1 ZINC000257324074 571161962 /nfs/dbraw/zinc/16/19/62/571161962.db2.gz WNARYYWOMRJSAV-HNNXBMFYSA-N 1 2 350.382 1.579 40 0 FDABLO c1csc(CN2CCOC[C@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)n1 ZINC000107739664 209278433 /nfs/dbraw/zinc/27/84/33/209278433.db2.gz XLCPJEUITFTDJD-RDJZCZTQSA-N 1 2 353.488 1.225 40 0 FDABLO CC1CCN(C(=O)C[NH+]2CCN(Cc3nc4ccccc4n3C)CC2)CC1 ZINC000096835614 209159290 /nfs/dbraw/zinc/15/92/90/209159290.db2.gz DNVFJCVVVGSITO-UHFFFAOYSA-N 1 2 369.513 1.949 40 0 FDABLO CN(C)c1[nH+]c2c(cc1C(=O)N1CCCC1)CCN(c1ncccn1)CC2 ZINC000096260387 209146013 /nfs/dbraw/zinc/14/60/13/209146013.db2.gz UDABZJDCZSQGMS-UHFFFAOYSA-N 1 2 366.469 1.779 40 0 FDABLO CC(C)C[N@@H+]1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(c1cccnc1)C2 ZINC000096230556 209140015 /nfs/dbraw/zinc/14/00/15/209140015.db2.gz ZKPWPVLFQRQHTI-HXUWFJFHSA-N 1 2 368.485 1.769 40 0 FDABLO CC(C)C[N@H+]1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(c1cccnc1)C2 ZINC000096230556 209140018 /nfs/dbraw/zinc/14/00/18/209140018.db2.gz ZKPWPVLFQRQHTI-HXUWFJFHSA-N 1 2 368.485 1.769 40 0 FDABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)c2ccncc2)CCO3)no1 ZINC000096206252 209133953 /nfs/dbraw/zinc/13/39/53/209133953.db2.gz KOFOLGNYYKFMHG-VQIMIIECSA-N 1 2 356.426 1.932 40 0 FDABLO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@H](NC(=O)c2ccncc2)CCO3)no1 ZINC000096206252 209133955 /nfs/dbraw/zinc/13/39/55/209133955.db2.gz KOFOLGNYYKFMHG-VQIMIIECSA-N 1 2 356.426 1.932 40 0 FDABLO Cc1ccc(CN2Cc3c(n(C)nc3C(=O)N3CC[NH+](C)CC3)C2)s1 ZINC000096187561 209132005 /nfs/dbraw/zinc/13/20/05/209132005.db2.gz QUVOMLJYVAENQB-UHFFFAOYSA-N 1 2 359.499 1.693 40 0 FDABLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(Cc1cccs1)CC2 ZINC000096187494 209131401 /nfs/dbraw/zinc/13/14/01/209131401.db2.gz CEOADLZGMTZCIB-UHFFFAOYSA-N 1 2 359.499 1.428 40 0 FDABLO CC(C)n1cnc2nnc3ccc(C(=O)NCC[NH+]4CCOCC4)cc3c21 ZINC000096146568 209121907 /nfs/dbraw/zinc/12/19/07/209121907.db2.gz RXMCGDZBCBKVNR-UHFFFAOYSA-N 1 2 368.441 1.622 40 0 FDABLO Cc1cc(C[N@@H+]2CC[C@H]3C(=O)N(c4ccc(C)nc4)CCO[C@H]3C2)no1 ZINC000096107177 209113320 /nfs/dbraw/zinc/11/33/20/209113320.db2.gz DZCJWIUXLNKPGV-MSOLQXFVSA-N 1 2 356.426 1.940 40 0 FDABLO Cc1cc(C[N@H+]2CC[C@H]3C(=O)N(c4ccc(C)nc4)CCO[C@H]3C2)no1 ZINC000096107177 209113324 /nfs/dbraw/zinc/11/33/24/209113324.db2.gz DZCJWIUXLNKPGV-MSOLQXFVSA-N 1 2 356.426 1.940 40 0 FDABLO CCOC(=O)CNC(=O)C1CCN(c2[nH+]c3ccccc3n2CC)CC1 ZINC000012116365 207339393 /nfs/dbraw/zinc/33/93/93/207339393.db2.gz YXRBHCTXXZTHAJ-UHFFFAOYSA-N 1 2 358.442 1.952 40 0 FDABLO O=C(C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2)NCc1cccs1 ZINC000012145766 207341967 /nfs/dbraw/zinc/34/19/67/207341967.db2.gz JMPSWHKQOYKCKX-UHFFFAOYSA-N 1 2 371.462 1.979 40 0 FDABLO C[C@H]1CCCCN1C(=O)C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000012144569 207342434 /nfs/dbraw/zinc/34/24/34/207342434.db2.gz RPYLXCHGABYAAM-AWEZNQCLSA-N 1 2 359.474 1.129 40 0 FDABLO C[C@H]1CCCCN1C(=O)C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000012144569 207342438 /nfs/dbraw/zinc/34/24/38/207342438.db2.gz RPYLXCHGABYAAM-AWEZNQCLSA-N 1 2 359.474 1.129 40 0 FDABLO CCN(CC)C(=O)C[NH+]1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 ZINC000012142377 207342633 /nfs/dbraw/zinc/34/26/33/207342633.db2.gz JNIPJPXPFKFZHY-UHFFFAOYSA-N 1 2 366.487 1.051 40 0 FDABLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000012144568 207342727 /nfs/dbraw/zinc/34/27/27/207342727.db2.gz RPYLXCHGABYAAM-CQSZACIVSA-N 1 2 359.474 1.129 40 0 FDABLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000012144568 207342730 /nfs/dbraw/zinc/34/27/30/207342730.db2.gz RPYLXCHGABYAAM-CQSZACIVSA-N 1 2 359.474 1.129 40 0 FDABLO C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000045973281 208344764 /nfs/dbraw/zinc/34/47/64/208344764.db2.gz ZPBAIGYMFJRBHS-HNNXBMFYSA-N 1 2 361.486 1.551 40 0 FDABLO Cc1cc(N2CCC(c3ccnc4c(C(=O)N(C)C)cnn43)CC2)nc[nH+]1 ZINC000257269707 132295926 /nfs/dbraw/zinc/29/59/26/132295926.db2.gz MRBADYUFOFLVHX-UHFFFAOYSA-N 1 2 365.441 1.914 40 0 FDABLO COc1ccc(C)cc1S(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000331288978 259185652 /nfs/dbraw/zinc/18/56/52/259185652.db2.gz VNJFKKSRRXQLKE-UHFFFAOYSA-N 1 2 370.515 1.983 40 0 FDABLO Cn1cccc1C=C(NC(=O)c1ccccc1)C(=O)NCCc1c[nH+]c[nH]1 ZINC000004902865 518318931 /nfs/dbraw/zinc/31/89/31/518318931.db2.gz DMNSGRCHWOKRQQ-LDADJPATSA-N 1 2 363.421 1.878 40 0 FDABLO Cn1cccc1C=C(NC(=O)c1ccccc1)C(=O)NCCc1c[nH]c[nH+]1 ZINC000004902865 518318935 /nfs/dbraw/zinc/31/89/35/518318935.db2.gz DMNSGRCHWOKRQQ-LDADJPATSA-N 1 2 363.421 1.878 40 0 FDABLO COc1cccc(-n2nnc(C(=O)NC[C@@H](C)[NH+]3CCOCC3)c2C)c1 ZINC000019557745 518819150 /nfs/dbraw/zinc/81/91/50/518819150.db2.gz HCASHFSEVUCDPD-CYBMUJFWSA-N 1 2 359.430 1.035 40 0 FDABLO COCC(=O)N1CCC(c2ccc3c(NCc4[nH]cc[nH+]4)n[nH]c3n2)CC1 ZINC000019744924 518832663 /nfs/dbraw/zinc/83/26/63/518832663.db2.gz NGXMWNTZRAVTCK-UHFFFAOYSA-N 1 2 369.429 1.646 40 0 FDABLO CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NCCNc3cccc[nH+]3)cc21 ZINC000019746205 518832783 /nfs/dbraw/zinc/83/27/83/518832783.db2.gz KGGVHAPBOOREDD-KRWDZBQOSA-N 1 2 374.466 1.595 40 0 FDABLO CN1CC[NH+](C[C@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000022594006 518904720 /nfs/dbraw/zinc/90/47/20/518904720.db2.gz CMYYWANBRPMTNA-NSHDSACASA-N 1 2 365.218 1.714 40 0 FDABLO COc1ccc(-c2noc(CCC(=O)NCC[NH+]3CCOCC3)n2)cc1 ZINC000022690221 518908078 /nfs/dbraw/zinc/90/80/78/518908078.db2.gz PULAWOYXLNTXCF-UHFFFAOYSA-N 1 2 360.414 1.126 40 0 FDABLO COc1cccc([C@@H](NC(=O)N2CCOCC2)c2[nH+]ccn2C)c1OC ZINC000072346354 522220883 /nfs/dbraw/zinc/22/08/83/522220883.db2.gz USDNPAAIFBGWFH-OAHLLOKOSA-N 1 2 360.414 1.569 40 0 FDABLO O=S1(=O)CC[C@H](COc2ccccn2)C12C[NH+](C1CCOCC1)C2 ZINC000247319779 537107556 /nfs/dbraw/zinc/10/75/56/537107556.db2.gz LGHCWNWNTVWFMB-CQSZACIVSA-N 1 2 352.456 1.129 40 0 FDABLO COc1ncccc1C(=O)N(C)C[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257210702 537150505 /nfs/dbraw/zinc/15/05/05/537150505.db2.gz BVUFCHGNOULHCE-IBGZPJMESA-N 1 2 356.426 1.589 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)CC3=CCCCC3)C2)C[N@@H+]1CC1CC1 ZINC000247988683 537161532 /nfs/dbraw/zinc/16/15/32/537161532.db2.gz ZZOGHXFNIONTEP-KRWDZBQOSA-N 1 2 361.486 1.315 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(C(=O)CC3=CCCCC3)C2)C[N@H+]1CC1CC1 ZINC000247988683 537161534 /nfs/dbraw/zinc/16/15/34/537161534.db2.gz ZZOGHXFNIONTEP-KRWDZBQOSA-N 1 2 361.486 1.315 40 0 FDABLO Cn1cc(C[N@H+]2Cc3cccn3C[C@@H](OCC(=O)N3CCCC3)C2)cn1 ZINC000248165058 537169596 /nfs/dbraw/zinc/16/95/96/537169596.db2.gz ZJKCJYRSXMGFHF-SFHVURJKSA-N 1 2 357.458 1.245 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3cccn3C[C@@H](OCC(=O)N3CCCC3)C2)cn1 ZINC000248165058 537169599 /nfs/dbraw/zinc/16/95/99/537169599.db2.gz ZJKCJYRSXMGFHF-SFHVURJKSA-N 1 2 357.458 1.245 40 0 FDABLO O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)[NH2+]Cc1cnc(CCc2ccccc2)nc1 ZINC000218761654 537468019 /nfs/dbraw/zinc/46/80/19/537468019.db2.gz FLQPUOJUOHEWFS-QGZVFWFLSA-N 1 2 351.410 1.770 40 0 FDABLO O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)[NH2+]Cc1cnc(CCc2ccccc2)nc1 ZINC000218761654 537468020 /nfs/dbraw/zinc/46/80/20/537468020.db2.gz FLQPUOJUOHEWFS-QGZVFWFLSA-N 1 2 351.410 1.770 40 0 FDABLO CCNC(=S)N1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000225224434 537544676 /nfs/dbraw/zinc/54/46/76/537544676.db2.gz YKBMXTBFLPYASJ-UHFFFAOYSA-N 1 2 353.488 1.724 40 0 FDABLO Cn1cccc1[C@@H](c1noc([C@@H]([NH3+])CCS(C)(=O)=O)n1)n1cccc1 ZINC000409438896 537850524 /nfs/dbraw/zinc/85/05/24/537850524.db2.gz DWBJIKDNYWZHFP-JSGCOSHPSA-N 1 2 363.443 1.282 40 0 FDABLO CCS(=O)(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000585096106 551568884 /nfs/dbraw/zinc/56/88/84/551568884.db2.gz RNAJYIPIYRTMTG-AWEZNQCLSA-N 1 2 368.484 1.010 40 0 FDABLO C[C@H]1c2[nH+]cc(CCOc3cccnc3)n2CCN1C(=O)C1CC(O)C1 ZINC000585097710 551570000 /nfs/dbraw/zinc/57/00/00/551570000.db2.gz MZSYTDNQSQHVKQ-HLIUYOAVSA-N 1 2 356.426 1.574 40 0 FDABLO O=C(CC1CC1)NCc1c[nH+]c2n1CCN(C(=O)CCc1ccc[nH]1)CC2 ZINC000585110659 551573732 /nfs/dbraw/zinc/57/37/32/551573732.db2.gz WKDCYXDEMGMIGL-UHFFFAOYSA-N 1 2 369.469 1.645 40 0 FDABLO O[C@@H]1CCN(Cc2ccc(F)cc2Cl)C[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000585260809 551575802 /nfs/dbraw/zinc/57/58/02/551575802.db2.gz WAPQSRXFFBGCAS-ZACQAIPSSA-N 1 2 358.841 1.107 40 0 FDABLO CC(=O)N1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1Cc1ccc(F)cc1 ZINC000585280233 551578122 /nfs/dbraw/zinc/57/81/22/551578122.db2.gz DJSFOJZSACXFIW-ROUUACIJSA-N 1 2 358.417 1.761 40 0 FDABLO COCC[NH+]1CCN([C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 ZINC000585289597 551579998 /nfs/dbraw/zinc/57/99/98/551579998.db2.gz KODRKNCYZISIJO-IPMKNSEASA-N 1 2 352.450 1.751 40 0 FDABLO Cn1c[nH+]c([C@H]2CN(C(=O)c3ccco3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306139086 571041044 /nfs/dbraw/zinc/04/10/44/571041044.db2.gz SOZCOHNWEXRMDC-QRWLVFNGSA-N 1 2 368.437 1.881 40 0 FDABLO COC(=O)c1ccc(OC)c(Nc2cc(C3CC3)[nH+]c(N[C@@H](C)CO)n2)c1 ZINC000329007609 571107114 /nfs/dbraw/zinc/10/71/14/571107114.db2.gz LLPXBKYPLKTVII-NSHDSACASA-N 1 2 372.425 1.529 40 0 FDABLO CC(C)[C@H](CO)Nc1nc(NC[C@H]2CCCO2)cc(-c2ccncc2)[nH+]1 ZINC000329066296 571130144 /nfs/dbraw/zinc/13/01/44/571130144.db2.gz XZGTUEHMQSNHPY-WBVHZDCISA-N 1 2 357.458 2.558 40 0 FDABLO Cc1noc(C)c1C[N@H+]1Cc2ccnn2C[C@H](OCC(=O)N2CCCC2)C1 ZINC000251998397 571130487 /nfs/dbraw/zinc/13/04/87/571130487.db2.gz LMASEFLQOMCGDJ-QGZVFWFLSA-N 1 2 373.457 1.511 40 0 FDABLO Cc1noc(C)c1C[N@@H+]1Cc2ccnn2C[C@H](OCC(=O)N2CCCC2)C1 ZINC000251998397 571130491 /nfs/dbraw/zinc/13/04/91/571130491.db2.gz LMASEFLQOMCGDJ-QGZVFWFLSA-N 1 2 373.457 1.511 40 0 FDABLO Cc1[nH+]cc(-c2cncc(C3CCN(C(=O)c4cnccn4)CC3)n2)n1C ZINC000257202697 571149446 /nfs/dbraw/zinc/14/94/46/571149446.db2.gz AMXJRSHFBBCNJX-UHFFFAOYSA-N 1 2 363.425 1.995 40 0 FDABLO Cc1nc(NC(=O)C[N@@H+]2CCC[C@](C(N)=O)(c3ccccn3)C2)sc1C ZINC000257265085 571155926 /nfs/dbraw/zinc/15/59/26/571155926.db2.gz LXHKNYGNCADJKI-GOSISDBHSA-N 1 2 373.482 1.613 40 0 FDABLO Cc1nc(NC(=O)C[N@H+]2CCC[C@](C(N)=O)(c3ccccn3)C2)sc1C ZINC000257265085 571155927 /nfs/dbraw/zinc/15/59/27/571155927.db2.gz LXHKNYGNCADJKI-GOSISDBHSA-N 1 2 373.482 1.613 40 0 FDABLO COc1cccc(OC)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccn2)C1 ZINC000257270287 571156440 /nfs/dbraw/zinc/15/64/40/571156440.db2.gz MTNZRSBRQXFCEE-HZPDHXFCSA-N 1 2 357.410 1.074 40 0 FDABLO COc1cccc(OC)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccn2)C1 ZINC000257270287 571156443 /nfs/dbraw/zinc/15/64/43/571156443.db2.gz MTNZRSBRQXFCEE-HZPDHXFCSA-N 1 2 357.410 1.074 40 0 FDABLO COc1ncc(C[N@@H+]2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)cn1 ZINC000257280533 571157498 /nfs/dbraw/zinc/15/74/98/571157498.db2.gz OLGDUQDPXJNTEL-IAGOWNOFSA-N 1 2 354.410 1.097 40 0 FDABLO COc1ncc(C[N@H+]2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)cn1 ZINC000257280533 571157500 /nfs/dbraw/zinc/15/75/00/571157500.db2.gz OLGDUQDPXJNTEL-IAGOWNOFSA-N 1 2 354.410 1.097 40 0 FDABLO O=C(c1cnccn1)N1CCC[C@@H]1c1ccnc(C[NH+]2CCOCC2)c1 ZINC000257299870 571159592 /nfs/dbraw/zinc/15/95/92/571159592.db2.gz RRZXCDORFHQCKI-GOSISDBHSA-N 1 2 353.426 1.681 40 0 FDABLO O=C(c1cnccn1)N1CCC[C@H]1c1ccnc(C[NH+]2CCOCC2)c1 ZINC000257299871 571159606 /nfs/dbraw/zinc/15/96/06/571159606.db2.gz RRZXCDORFHQCKI-SFHVURJKSA-N 1 2 353.426 1.681 40 0 FDABLO Cc1csc(C[N@@H+]2CC[C@@H]3OCCN(C(=O)c4ccncc4)[C@H]3C2)n1 ZINC000108536053 209289648 /nfs/dbraw/zinc/28/96/48/209289648.db2.gz HISCCKWEPLECRV-HOTGVXAUSA-N 1 2 358.467 1.962 40 0 FDABLO Cc1csc(C[N@H+]2CC[C@@H]3OCCN(C(=O)c4ccncc4)[C@H]3C2)n1 ZINC000108536053 209289649 /nfs/dbraw/zinc/28/96/49/209289649.db2.gz HISCCKWEPLECRV-HOTGVXAUSA-N 1 2 358.467 1.962 40 0 FDABLO CNC(=O)c1cc2c([nH+]c1NCC(C)C)CCN(c1ccncn1)CC2 ZINC000096260491 209145419 /nfs/dbraw/zinc/14/54/19/209145419.db2.gz TZVQJZJGYBHVNK-UHFFFAOYSA-N 1 2 354.458 1.904 40 0 FDABLO CN(Cc1ccccn1)C(=O)c1n[nH]c2c1C[N@@H+](C1CCOCC1)CC2 ZINC000096187434 209132028 /nfs/dbraw/zinc/13/20/28/209132028.db2.gz IGRGLNUVZRFHRR-UHFFFAOYSA-N 1 2 355.442 1.614 40 0 FDABLO CN(Cc1ccccn1)C(=O)c1n[nH]c2c1C[N@H+](C1CCOCC1)CC2 ZINC000096187434 209132031 /nfs/dbraw/zinc/13/20/31/209132031.db2.gz IGRGLNUVZRFHRR-UHFFFAOYSA-N 1 2 355.442 1.614 40 0 FDABLO CN(C)C(=O)C[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2nccs2)C1 ZINC000096159980 209127518 /nfs/dbraw/zinc/12/75/18/209127518.db2.gz TVOGAHWGDBJLTE-WMLDXEAASA-N 1 2 353.488 1.619 40 0 FDABLO CN(C)C(=O)C[N@H+]1CCO[C@]2(CCC[C@H]2COCc2nccs2)C1 ZINC000096159980 209127521 /nfs/dbraw/zinc/12/75/21/209127521.db2.gz TVOGAHWGDBJLTE-WMLDXEAASA-N 1 2 353.488 1.619 40 0 FDABLO O=C(NCc1cccnc1)[C@@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096065484 209107345 /nfs/dbraw/zinc/10/73/45/209107345.db2.gz YPBADGJDADHEGK-JYJNAYRXSA-N 1 2 358.467 1.834 40 0 FDABLO O=C(NCc1cccnc1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096065484 209107346 /nfs/dbraw/zinc/10/73/46/209107346.db2.gz YPBADGJDADHEGK-JYJNAYRXSA-N 1 2 358.467 1.834 40 0 FDABLO C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NCC[NH+]2CCOCC2)n1 ZINC000019457498 220257293 /nfs/dbraw/zinc/25/72/93/220257293.db2.gz ZENOPKKWXRSGRU-LBPRGKRZSA-N 1 2 366.853 1.168 40 0 FDABLO CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1nnnn1Cc1cccs1 ZINC000035314279 207130207 /nfs/dbraw/zinc/13/02/07/207130207.db2.gz HCYJWNRZMACCRD-GOOCMWNKSA-N 1 2 360.487 1.805 40 0 FDABLO CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1nnnn1Cc1cccs1 ZINC000035314279 207130209 /nfs/dbraw/zinc/13/02/09/207130209.db2.gz HCYJWNRZMACCRD-GOOCMWNKSA-N 1 2 360.487 1.805 40 0 FDABLO CCOC(=O)CNC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2CC)C1 ZINC000012145815 207342958 /nfs/dbraw/zinc/34/29/58/207342958.db2.gz DITSUWNGEQLMRE-CQSZACIVSA-N 1 2 358.442 1.952 40 0 FDABLO COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000041092078 208279703 /nfs/dbraw/zinc/27/97/03/208279703.db2.gz RFUDLTLHWOHHDC-UHFFFAOYSA-N 1 2 356.488 1.426 40 0 FDABLO Fc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC000096229426 132223001 /nfs/dbraw/zinc/22/30/01/132223001.db2.gz CKVSGDXHJYWXHV-GOSISDBHSA-N 1 2 359.405 1.119 40 0 FDABLO Fc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC000096229426 132223003 /nfs/dbraw/zinc/22/30/03/132223003.db2.gz CKVSGDXHJYWXHV-GOSISDBHSA-N 1 2 359.405 1.119 40 0 FDABLO C[C@@H]1CCCN(c2ccc(NC(=S)NCC[NH+]3CCOCC3)cn2)C1 ZINC000223893226 132280358 /nfs/dbraw/zinc/28/03/58/132280358.db2.gz PRUVTUAJEAIHNZ-OAHLLOKOSA-N 1 2 363.531 1.937 40 0 FDABLO COc1ccccc1N1CC[NH+](Cc2cc(=O)n3oc(C)cc3n2)CC1 ZINC000015731933 136150538 /nfs/dbraw/zinc/15/05/38/136150538.db2.gz VCVQWZYCKPQURG-UHFFFAOYSA-N 1 2 354.410 1.927 40 0 FDABLO C[C@H]1CN(C(=O)CN2c3ccccc3C3=[NH+]CCCN3C2=O)C[C@H](C)O1 ZINC000012142803 518591090 /nfs/dbraw/zinc/59/10/90/518591090.db2.gz OUFQCDIPYNLPJW-KBPBESRZSA-N 1 2 356.426 1.715 40 0 FDABLO Cc1cc2c(nc3n(c2=O)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC3)s1 ZINC000012221534 518596840 /nfs/dbraw/zinc/59/68/40/518596840.db2.gz UIHBHDLKADZWJI-GFCCVEGCSA-N 1 2 371.466 1.999 40 0 FDABLO C[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cc2)CC1 ZINC000012481660 518616204 /nfs/dbraw/zinc/61/62/04/518616204.db2.gz TUPSOXZDKIWXJY-UHFFFAOYSA-N 1 2 365.499 1.685 40 0 FDABLO CCN(CC(=O)NCCCn1cc[nH+]c1)S(=O)(=O)c1ccccc1 ZINC000016678171 518766808 /nfs/dbraw/zinc/76/68/08/518766808.db2.gz GIJXAUQNHJGTLM-UHFFFAOYSA-N 1 2 350.444 1.100 40 0 FDABLO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+]3CC(=O)N3CCCCC3)ncc2C1 ZINC000019018594 518800587 /nfs/dbraw/zinc/80/05/87/518800587.db2.gz VDRSTEHXHCJYME-GOSISDBHSA-N 1 2 371.485 1.531 40 0 FDABLO CC(=O)N1CCc2nc([C@H]3CCC[N@H+]3CC(=O)N3CCCCC3)ncc2C1 ZINC000019018594 518800594 /nfs/dbraw/zinc/80/05/94/518800594.db2.gz VDRSTEHXHCJYME-GOSISDBHSA-N 1 2 371.485 1.531 40 0 FDABLO C[NH+]1CCN(C(=O)C2(NC(=O)NCc3ccccc3)CCCCC2)CC1 ZINC000019589695 518820007 /nfs/dbraw/zinc/82/00/07/518820007.db2.gz WRTBFKVZOBSHGJ-UHFFFAOYSA-N 1 2 358.486 1.963 40 0 FDABLO C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)COc1ccccc1)CC2 ZINC000019706180 518828459 /nfs/dbraw/zinc/82/84/59/518828459.db2.gz IDEAOGLFFFOMJG-QGZVFWFLSA-N 1 2 369.469 1.899 40 0 FDABLO C[N@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)COc1ccccc1)CC2 ZINC000019706180 518828466 /nfs/dbraw/zinc/82/84/66/518828466.db2.gz IDEAOGLFFFOMJG-QGZVFWFLSA-N 1 2 369.469 1.899 40 0 FDABLO COc1cc(OC)c([C@H]2CC[N@H+](C)C[C@@H]2OC(C)=O)c(O)c1C(C)=O ZINC000034453316 519593446 /nfs/dbraw/zinc/59/34/46/519593446.db2.gz IGPSCQDNVKUGLW-WFASDCNBSA-N 1 2 351.399 1.963 40 0 FDABLO COc1cc(OC)c([C@H]2CC[N@@H+](C)C[C@@H]2OC(C)=O)c(O)c1C(C)=O ZINC000034453316 519593452 /nfs/dbraw/zinc/59/34/52/519593452.db2.gz IGPSCQDNVKUGLW-WFASDCNBSA-N 1 2 351.399 1.963 40 0 FDABLO O=C1N(c2ccccn2)C[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCN12 ZINC000085436165 524357817 /nfs/dbraw/zinc/35/78/17/524357817.db2.gz LCTLFUILZKUHOY-MRXNPFEDSA-N 1 2 366.421 1.979 40 0 biogenic,in-vitro FDABLO O=C1N(c2ccccn2)C[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCN12 ZINC000085436165 524357825 /nfs/dbraw/zinc/35/78/25/524357825.db2.gz LCTLFUILZKUHOY-MRXNPFEDSA-N 1 2 366.421 1.979 40 0 biogenic,in-vitro FDABLO CCCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000100420313 525214397 /nfs/dbraw/zinc/21/43/97/525214397.db2.gz KNQLHHBPRIXNKV-QOIOWGMHSA-N 1 2 374.437 1.760 40 0 FDABLO COCC(=O)NC[C@@H]1Cn2nccc2C[N@H+](Cc2cccc(Cl)c2)C1 ZINC000247838463 537153054 /nfs/dbraw/zinc/15/30/54/537153054.db2.gz MYPSAQPKELHLTG-HNNXBMFYSA-N 1 2 362.861 1.931 40 0 FDABLO COCC(=O)NC[C@@H]1Cn2nccc2C[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000247838463 537153060 /nfs/dbraw/zinc/15/30/60/537153060.db2.gz MYPSAQPKELHLTG-HNNXBMFYSA-N 1 2 362.861 1.931 40 0 FDABLO COCC(=O)NC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000247826949 537153293 /nfs/dbraw/zinc/15/32/93/537153293.db2.gz JSALUIGMWSLONH-HNNXBMFYSA-N 1 2 372.425 1.006 40 0 FDABLO COCC(=O)NC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000247826949 537153294 /nfs/dbraw/zinc/15/32/94/537153294.db2.gz JSALUIGMWSLONH-HNNXBMFYSA-N 1 2 372.425 1.006 40 0 FDABLO Cn1cccc1C(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccncc3)C2)OC1 ZINC000248113010 537166668 /nfs/dbraw/zinc/16/66/68/537166668.db2.gz HWSAGCPPSYGLAK-KRWDZBQOSA-N 1 2 354.454 1.831 40 0 FDABLO Cn1cc(C(=O)NC[C@@H]2CCC3(C[NH+](Cc4cccnc4)C3)OC2)cn1 ZINC000248129632 537168028 /nfs/dbraw/zinc/16/80/28/537168028.db2.gz MXDZQUVZPWRHHC-INIZCTEOSA-N 1 2 355.442 1.226 40 0 FDABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccco2)N1CC[NH+]1CCOCC1 ZINC000223124603 537518911 /nfs/dbraw/zinc/51/89/11/537518911.db2.gz KHAQVLQRZOYROU-SJORKVTESA-N 1 2 358.467 1.979 40 0 FDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)CC1 ZINC000223739784 537534507 /nfs/dbraw/zinc/53/45/07/537534507.db2.gz QSPYKVDLWUMCBP-UHFFFAOYSA-N 1 2 357.501 1.693 40 0 FDABLO COc1cc(C(F)(F)F)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225905412 537564147 /nfs/dbraw/zinc/56/41/47/537564147.db2.gz VFFSYGMUDDTZOZ-UHFFFAOYSA-N 1 2 365.381 1.123 40 0 FDABLO CS(=O)(=O)NCC[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2cncn21 ZINC000306130401 537602131 /nfs/dbraw/zinc/60/21/31/537602131.db2.gz JFBZVXMZONESAK-OAHLLOKOSA-N 1 2 373.482 1.861 40 0 FDABLO CS(=O)(=O)NCC[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2cncn21 ZINC000306130401 537602140 /nfs/dbraw/zinc/60/21/40/537602140.db2.gz JFBZVXMZONESAK-OAHLLOKOSA-N 1 2 373.482 1.861 40 0 FDABLO CS(=O)(=O)NCC[C@@H]1CN(Cc2cccc3[nH]ccc32)Cc2c[nH+]cn21 ZINC000306130401 537602148 /nfs/dbraw/zinc/60/21/48/537602148.db2.gz JFBZVXMZONESAK-OAHLLOKOSA-N 1 2 373.482 1.861 40 0 FDABLO O=C(CC1CC1)N1Cc2c[nH+]cn2[C@@H](C(=O)NCCc2cccs2)C1 ZINC000585095921 551569118 /nfs/dbraw/zinc/56/91/18/551569118.db2.gz CCPKGHLSGODJNW-MRXNPFEDSA-N 1 2 358.467 1.987 40 0 FDABLO CS(=O)(=O)CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1nccs1)CC2 ZINC000585100513 551571055 /nfs/dbraw/zinc/57/10/55/551571055.db2.gz LVNRRXJVUOTPBY-MRXNPFEDSA-N 1 2 371.528 1.535 40 0 FDABLO CS(=O)(=O)CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1nccs1)CC2 ZINC000585100513 551571058 /nfs/dbraw/zinc/57/10/58/551571058.db2.gz LVNRRXJVUOTPBY-MRXNPFEDSA-N 1 2 371.528 1.535 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[N@@H+]1CCc1ccccc1 ZINC000585168401 551576135 /nfs/dbraw/zinc/57/61/35/551576135.db2.gz RTJBALDLNKFCSB-IBGZPJMESA-N 1 2 369.440 1.941 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[N@H+]1CCc1ccccc1 ZINC000585168401 551576138 /nfs/dbraw/zinc/57/61/38/551576138.db2.gz RTJBALDLNKFCSB-IBGZPJMESA-N 1 2 369.440 1.941 40 0 FDABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)C3CC3)CC[N@@H+]21 ZINC000253398678 560040437 /nfs/dbraw/zinc/04/04/37/560040437.db2.gz HIDYBLPOODROQG-SFHVURJKSA-N 1 2 370.497 1.913 40 0 biogenic,in-vitro FDABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)C3CC3)CC[N@H+]21 ZINC000253398678 560040438 /nfs/dbraw/zinc/04/04/38/560040438.db2.gz HIDYBLPOODROQG-SFHVURJKSA-N 1 2 370.497 1.913 40 0 biogenic,in-vitro FDABLO CCn1cc(C[N@H+]2Cc3cncn3[C@@H](COCC(=O)N3CCCC3)C2)cn1 ZINC000306139114 571040662 /nfs/dbraw/zinc/04/06/62/571040662.db2.gz SPUPZVXNDXXXGP-GOSISDBHSA-N 1 2 372.473 1.295 40 0 FDABLO CCn1cc(C[N@@H+]2Cc3cncn3[C@@H](COCC(=O)N3CCCC3)C2)cn1 ZINC000306139114 571040666 /nfs/dbraw/zinc/04/06/66/571040666.db2.gz SPUPZVXNDXXXGP-GOSISDBHSA-N 1 2 372.473 1.295 40 0 FDABLO Cc1cnc(C(=O)N[C@@H]2CCCC[C@]23CN(Cc2[nH]cc[nH+]2)CCO3)cn1 ZINC000306141066 571042044 /nfs/dbraw/zinc/04/20/44/571042044.db2.gz VKOMTCTZTJYASA-APWZRJJASA-N 1 2 370.457 1.452 40 0 FDABLO C[C@H](CO)Nc1nc(NCc2ccc(F)cc2)cc(-c2cccnc2)[nH+]1 ZINC000328960521 571105003 /nfs/dbraw/zinc/10/50/03/571105003.db2.gz AYTCMVVAQBYOLM-CYBMUJFWSA-N 1 2 353.401 1.926 40 0 FDABLO Cc1nc(Nc2cnccn2)cc([C@H]2CCCC[N@H+]2CC(=O)N(C)C)n1 ZINC000257210443 571150656 /nfs/dbraw/zinc/15/06/56/571150656.db2.gz BUQFMZYGUDGJSP-OAHLLOKOSA-N 1 2 355.446 1.934 40 0 FDABLO Cc1nc(Nc2cnccn2)cc([C@H]2CCCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000257210443 571150659 /nfs/dbraw/zinc/15/06/59/571150659.db2.gz BUQFMZYGUDGJSP-OAHLLOKOSA-N 1 2 355.446 1.934 40 0 FDABLO NC(=O)C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1Oc1ccc(F)cc1 ZINC000257276657 571157209 /nfs/dbraw/zinc/15/72/09/571157209.db2.gz NUQGJSQKFWIRDX-YOEHRIQHSA-N 1 2 374.416 1.584 40 0 FDABLO Cc1cc(N2CC[C@](O)(CN(C)C(=O)Cc3ccccc3F)C2)nc[nH+]1 ZINC000257288016 571158331 /nfs/dbraw/zinc/15/83/31/571158331.db2.gz PSLQRGZBSQVEKX-IBGZPJMESA-N 1 2 358.417 1.566 40 0 FDABLO CCc1[nH+]ccn1-c1ccc(C(=O)N2CCO[C@@](C)(C(=O)N(C)C)C2)cn1 ZINC000257230858 529759433 /nfs/dbraw/zinc/75/94/33/529759433.db2.gz GEFGTVCHAOLXNL-LJQANCHMSA-N 1 2 371.441 1.149 40 0 FDABLO OCCCNc1nc(NCc2ccc(F)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329014810 210131313 /nfs/dbraw/zinc/13/13/13/210131313.db2.gz MYQJTNYFGNFWRE-UHFFFAOYSA-N 1 2 353.401 1.928 40 0 FDABLO C[C@@H](CO)Nc1nc(NCc2ccc(F)cc2)cc(-c2cccnc2)[nH+]1 ZINC000328960522 210126931 /nfs/dbraw/zinc/12/69/31/210126931.db2.gz AYTCMVVAQBYOLM-ZDUSSCGKSA-N 1 2 353.401 1.926 40 0 FDABLO COc1ncccc1C[N@H+]1Cc2ccnn2C[C@H](CNc2ncccn2)C1 ZINC000306128705 210050467 /nfs/dbraw/zinc/05/04/67/210050467.db2.gz HIRFCCJVLODCPM-OAHLLOKOSA-N 1 2 365.441 1.821 40 0 FDABLO COc1ncccc1C[N@@H+]1Cc2ccnn2C[C@H](CNc2ncccn2)C1 ZINC000306128705 210050469 /nfs/dbraw/zinc/05/04/69/210050469.db2.gz HIRFCCJVLODCPM-OAHLLOKOSA-N 1 2 365.441 1.821 40 0 FDABLO Cn1c[nH+]c([C@H]2CN(C(=O)c3ccco3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306139084 210055358 /nfs/dbraw/zinc/05/53/58/210055358.db2.gz SOZCOHNWEXRMDC-FOIQADDNSA-N 1 2 368.437 1.881 40 0 FDABLO CS(=O)(=O)NC[C@@H]1CN(C(=O)c2cc3ccccc3o2)Cc2c[nH+]cn21 ZINC000247534783 222948778 /nfs/dbraw/zinc/94/87/78/222948778.db2.gz QBWYQHZGCRFJBR-CQSZACIVSA-N 1 2 374.422 1.376 40 0 FDABLO Cn1ccc(C(=O)N2CCC[C@@H]2c2ccc(C[NH+]3CCOCC3)cn2)n1 ZINC000257272227 223045953 /nfs/dbraw/zinc/04/59/53/223045953.db2.gz NBNJJNSQDWVQMO-GOSISDBHSA-N 1 2 355.442 1.625 40 0 FDABLO CCn1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)c(C)n1 ZINC000257307871 223060834 /nfs/dbraw/zinc/06/08/34/223060834.db2.gz TULKJADYCCVBMO-CYBMUJFWSA-N 1 2 351.476 1.718 40 0 FDABLO CCn1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)c(C)n1 ZINC000257307871 223060836 /nfs/dbraw/zinc/06/08/36/223060836.db2.gz TULKJADYCCVBMO-CYBMUJFWSA-N 1 2 351.476 1.718 40 0 FDABLO Cc1cn(C)c([C@H]2CN(C(=O)Cn3c(C)[nH+]c4ccccc43)CCO2)n1 ZINC000257319109 223064048 /nfs/dbraw/zinc/06/40/48/223064048.db2.gz VQUJOBIJXARVGY-QGZVFWFLSA-N 1 2 353.426 1.987 40 0 FDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc(Cl)cn1)C[C@@H]2O ZINC000257336591 223070814 /nfs/dbraw/zinc/07/08/14/223070814.db2.gz YPCVVLJHQJRRBD-GJZGRUSLSA-N 1 2 359.879 1.096 40 0 FDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@@H+](Cc1ccc(Cl)cn1)C[C@@H]2O ZINC000257336591 223070817 /nfs/dbraw/zinc/07/08/17/223070817.db2.gz YPCVVLJHQJRRBD-GJZGRUSLSA-N 1 2 359.879 1.096 40 0 FDABLO CN(C(=O)c1cnn2cccnc12)[C@@H]1CCCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257336682 223071267 /nfs/dbraw/zinc/07/12/67/223071267.db2.gz YPOHMXDQUOBZIC-BZUAXINKSA-N 1 2 354.414 1.543 40 0 FDABLO CS(=O)(=O)Nc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1Cl ZINC000022512356 211352286 /nfs/dbraw/zinc/35/22/86/211352286.db2.gz HYZNDUULGPYYAR-UHFFFAOYSA-N 1 2 356.835 1.728 40 0 FDABLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000019496215 211224397 /nfs/dbraw/zinc/22/43/97/211224397.db2.gz RTVJRJLMDQXMFP-GDBMZVCRSA-N 1 2 373.501 1.423 40 0 FDABLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000019496215 211224400 /nfs/dbraw/zinc/22/44/00/211224400.db2.gz RTVJRJLMDQXMFP-GDBMZVCRSA-N 1 2 373.501 1.423 40 0 FDABLO COc1ccc(OC)c([C@@H](O)C[NH+]2CCN(Cc3ccccn3)CC2)c1 ZINC000019551170 211231533 /nfs/dbraw/zinc/23/15/33/211231533.db2.gz SRKNMUHVLZLKCP-IBGZPJMESA-N 1 2 357.454 1.950 40 0 FDABLO COc1ccc(OC)c([C@@H](O)CN2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000019551170 211231537 /nfs/dbraw/zinc/23/15/37/211231537.db2.gz SRKNMUHVLZLKCP-IBGZPJMESA-N 1 2 357.454 1.950 40 0 FDABLO COc1ccc(N2C[C@@H](C(=O)NCCn3cc[nH+]c3)CC2=O)c(OC)c1 ZINC000019552549 211230969 /nfs/dbraw/zinc/23/09/69/211230969.db2.gz WFUBSNPREDCLSE-ZDUSSCGKSA-N 1 2 358.398 1.070 40 0 FDABLO CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CC[N@H+](Cc1nccs1)C2 ZINC000096050137 132217593 /nfs/dbraw/zinc/21/75/93/132217593.db2.gz PLHHVXDHKHKBPC-IBGZPJMESA-N 1 2 370.478 1.983 40 0 FDABLO CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CC[N@@H+](Cc1nccs1)C2 ZINC000096050137 132217595 /nfs/dbraw/zinc/21/75/95/132217595.db2.gz PLHHVXDHKHKBPC-IBGZPJMESA-N 1 2 370.478 1.983 40 0 FDABLO O=C1CO[C@@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096051313 132217757 /nfs/dbraw/zinc/21/77/57/132217757.db2.gz DSSSNIXWWWNSIC-FQEVSTJZSA-N 1 2 371.412 1.855 40 0 FDABLO O=C1CO[C@@]2(CN1c1ccc(F)cc1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096051313 132217758 /nfs/dbraw/zinc/21/77/58/132217758.db2.gz DSSSNIXWWWNSIC-FQEVSTJZSA-N 1 2 371.412 1.855 40 0 FDABLO O=C1CO[C@]2(CN1c1ccccc1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096240069 132223512 /nfs/dbraw/zinc/22/35/12/132223512.db2.gz SFDLQAXIRNCDOA-HXUWFJFHSA-N 1 2 353.422 1.716 40 0 FDABLO O=C1CO[C@]2(CN1c1ccccc1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096240069 132223513 /nfs/dbraw/zinc/22/35/13/132223513.db2.gz SFDLQAXIRNCDOA-HXUWFJFHSA-N 1 2 353.422 1.716 40 0 FDABLO CN(C)c1cc(N2CCC[C@@](C)(C(=O)NCc3ccncc3)C2)nc[nH+]1 ZINC000257258089 132295775 /nfs/dbraw/zinc/29/57/75/132295775.db2.gz KSJFFPGVYXSWII-LJQANCHMSA-N 1 2 354.458 1.861 40 0 FDABLO CN(C)c1cc(N2CCC[C@@](C)(C(=O)NCc3ccncc3)C2)[nH+]cn1 ZINC000257258089 132295776 /nfs/dbraw/zinc/29/57/76/132295776.db2.gz KSJFFPGVYXSWII-LJQANCHMSA-N 1 2 354.458 1.861 40 0 FDABLO CC[C@H](C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc[nH+]1 ZINC000329022123 132372529 /nfs/dbraw/zinc/37/25/29/132372529.db2.gz OKVQGENPYHWGRK-LBPRGKRZSA-N 1 2 361.471 1.897 40 0 FDABLO CC[C@H](C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]cn1 ZINC000329022123 132372530 /nfs/dbraw/zinc/37/25/30/132372530.db2.gz OKVQGENPYHWGRK-LBPRGKRZSA-N 1 2 361.471 1.897 40 0 FDABLO CCOC[C@@H]1Cn2c[nH+]cc2CN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000096207343 222077176 /nfs/dbraw/zinc/07/71/76/222077176.db2.gz URGGQUQQZZVNPZ-HNNXBMFYSA-N 1 2 357.410 1.849 40 0 FDABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccccc3OCC)C2=O)C1 ZINC000101982837 222288586 /nfs/dbraw/zinc/28/85/86/222288586.db2.gz YIAKWINIQFMXMA-HOCLYGCPSA-N 1 2 374.437 1.992 40 0 FDABLO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccccc3OCC)C2=O)C1 ZINC000101982837 222288589 /nfs/dbraw/zinc/28/85/89/222288589.db2.gz YIAKWINIQFMXMA-HOCLYGCPSA-N 1 2 374.437 1.992 40 0 FDABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@@H](c2cccc(N)n2)C1 ZINC000257333058 534673008 /nfs/dbraw/zinc/67/30/08/534673008.db2.gz XZXXXTWGKQTPNW-QGZVFWFLSA-N 1 2 351.410 1.922 40 0 FDABLO COc1ccc(C(=O)N2CCN3C(=O)N(Cc4[nH+]ccn4C)C[C@H]3C2)cc1 ZINC000077266406 523280764 /nfs/dbraw/zinc/28/07/64/523280764.db2.gz ASUXPXCRVBFESC-OAHLLOKOSA-N 1 2 369.425 1.191 40 0 biogenic,in-vitro FDABLO COc1cccc(C[N@@H+]2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)n1 ZINC000085436181 525949055 /nfs/dbraw/zinc/94/90/55/525949055.db2.gz VMXOBUABXMAHOQ-QGZVFWFLSA-N 1 2 353.426 1.607 40 0 biogenic,in-vitro FDABLO COc1cccc(C[N@H+]2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)n1 ZINC000085436181 525949061 /nfs/dbraw/zinc/94/90/61/525949061.db2.gz VMXOBUABXMAHOQ-QGZVFWFLSA-N 1 2 353.426 1.607 40 0 biogenic,in-vitro FDABLO CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)CCCn2cc[nH+]c2)n1 ZINC000257280958 526597372 /nfs/dbraw/zinc/59/73/72/526597372.db2.gz ONBXJZLFWMNGTN-KRWDZBQOSA-N 1 2 356.430 1.453 40 0 FDABLO CC(=O)N1CC[N@H+](CCOc2cccc(C(F)(F)F)c2)C[C@H]1C(N)=O ZINC000257227690 526629088 /nfs/dbraw/zinc/62/90/88/526629088.db2.gz FQMGRQPEMOOATO-AWEZNQCLSA-N 1 2 359.348 1.102 40 0 FDABLO CC(=O)N1CC[N@@H+](CCOc2cccc(C(F)(F)F)c2)C[C@H]1C(N)=O ZINC000257227690 526629091 /nfs/dbraw/zinc/62/90/91/526629091.db2.gz FQMGRQPEMOOATO-AWEZNQCLSA-N 1 2 359.348 1.102 40 0 FDABLO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@H](CNS(C)(=O)=O)C2)s1 ZINC000248087886 537166321 /nfs/dbraw/zinc/16/63/21/537166321.db2.gz KRQKZUHVWWRKIO-CYBMUJFWSA-N 1 2 354.501 1.434 40 0 FDABLO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@H](CNS(C)(=O)=O)C2)s1 ZINC000248087886 537166323 /nfs/dbraw/zinc/16/63/23/537166323.db2.gz KRQKZUHVWWRKIO-CYBMUJFWSA-N 1 2 354.501 1.434 40 0 FDABLO Cc1noc(C)c1CN1Cc2c[nH+]cn2[C@H](C(=O)NCc2ccco2)C1 ZINC000251922186 537249108 /nfs/dbraw/zinc/24/91/08/537249108.db2.gz BAOKZLQFIJSBEF-KRWDZBQOSA-N 1 2 355.398 1.954 40 0 FDABLO Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223149521 537518754 /nfs/dbraw/zinc/51/87/54/537518754.db2.gz DDQLVLCESROZFA-ROUUACIJSA-N 1 2 371.510 1.725 40 0 FDABLO C[NH+]1CCN(C(=O)Cn2ccc(=O)c3cc(Br)ccc32)CC1 ZINC000225730075 537558587 /nfs/dbraw/zinc/55/85/87/537558587.db2.gz RGCNMKIDUAIJLZ-UHFFFAOYSA-N 1 2 364.243 1.538 40 0 FDABLO CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@H]3[C@@H]3CSC[N@@H+]32)c2ccccc21 ZINC000230043723 537577126 /nfs/dbraw/zinc/57/71/26/537577126.db2.gz WHZFXMKPVAUKLO-MWDXBVQZSA-N 1 2 369.446 1.962 40 0 FDABLO CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@H]3[C@@H]3CSC[N@H+]32)c2ccccc21 ZINC000230043723 537577130 /nfs/dbraw/zinc/57/71/30/537577130.db2.gz WHZFXMKPVAUKLO-MWDXBVQZSA-N 1 2 369.446 1.962 40 0 FDABLO CC(C)(C)OC(=O)N1C[C@H]2CN(c3ccc(-n4cc[nH+]c4)nn3)C[C@@H]2C1 ZINC000409431155 537850275 /nfs/dbraw/zinc/85/02/75/537850275.db2.gz YSVXKDUYSNAJTA-ZIAGYGMSSA-N 1 2 356.430 1.965 40 0 FDABLO O=S1(=O)C[C@H](O)[C@@H]([N@H+](CCO)C(c2ccccc2)c2ccccc2)C1 ZINC000575419595 550461972 /nfs/dbraw/zinc/46/19/72/550461972.db2.gz WUENSFWFGUZHKF-ROUUACIJSA-N 1 2 361.463 1.228 40 0 FDABLO O=S1(=O)C[C@H](O)[C@@H]([N@@H+](CCO)C(c2ccccc2)c2ccccc2)C1 ZINC000575419595 550461974 /nfs/dbraw/zinc/46/19/74/550461974.db2.gz WUENSFWFGUZHKF-ROUUACIJSA-N 1 2 361.463 1.228 40 0 FDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2COc2cncc(C)n2)no1 ZINC000585094713 551568463 /nfs/dbraw/zinc/56/84/63/551568463.db2.gz ISLYJKKEFXUHHD-HNNXBMFYSA-N 1 2 354.414 1.821 40 0 FDABLO Cc1ccsc1C[N@H+]1Cc2ccnn2[C@H](CCNS(C)(=O)=O)C1 ZINC000585112798 551574450 /nfs/dbraw/zinc/57/44/50/551574450.db2.gz WQCQCCAKAULPLN-CQSZACIVSA-N 1 2 354.501 1.749 40 0 FDABLO Cc1ccsc1C[N@@H+]1Cc2ccnn2[C@H](CCNS(C)(=O)=O)C1 ZINC000585112798 551574451 /nfs/dbraw/zinc/57/44/51/551574451.db2.gz WQCQCCAKAULPLN-CQSZACIVSA-N 1 2 354.501 1.749 40 0 FDABLO Cc1cc(C)cc(C[N@H+]2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)c1 ZINC000585112408 551574492 /nfs/dbraw/zinc/57/44/92/551574492.db2.gz PEBDDILQTIHSEP-SFHVURJKSA-N 1 2 362.499 1.996 40 0 FDABLO Cc1cc(C)cc(C[N@@H+]2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)c1 ZINC000585112408 551574494 /nfs/dbraw/zinc/57/44/94/551574494.db2.gz PEBDDILQTIHSEP-SFHVURJKSA-N 1 2 362.499 1.996 40 0 FDABLO Cc1cccc(C[C@H]2CCN(C(=O)/C=C/C[NH+]3CCOCC3)C[C@H]2O)c1 ZINC000585291137 551580450 /nfs/dbraw/zinc/58/04/50/551580450.db2.gz KOGJYLZXJQRQBB-NQWKQXNDSA-N 1 2 358.482 1.635 40 0 FDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)CC1 ZINC000408609446 570582241 /nfs/dbraw/zinc/58/22/41/570582241.db2.gz SZFHGVNIVDKWPN-UHFFFAOYSA-N 1 2 365.499 1.557 40 0 FDABLO COc1ccc(C(C)C)cc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000408700336 570653135 /nfs/dbraw/zinc/65/31/35/570653135.db2.gz DIIGLLOIJUGGKE-UHFFFAOYSA-N 1 2 356.488 1.819 40 0 FDABLO Cc1nn(C)c(C)c1CC(=O)N(C)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257319706 571161707 /nfs/dbraw/zinc/16/17/07/571161707.db2.gz VTRSOFJICYPWET-LJQANCHMSA-N 1 2 357.458 1.074 40 0 FDABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C3COC3)CC[N@@H+]21 ZINC000253398246 210213628 /nfs/dbraw/zinc/21/36/28/210213628.db2.gz GTIBJTLGRCXZRH-INIZCTEOSA-N 1 2 363.889 1.959 40 0 biogenic,in-vitro FDABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C3COC3)CC[N@H+]21 ZINC000253398246 210213633 /nfs/dbraw/zinc/21/36/33/210213633.db2.gz GTIBJTLGRCXZRH-INIZCTEOSA-N 1 2 363.889 1.959 40 0 biogenic,in-vitro FDABLO C[NH+]1CCN(C(=O)c2nnc3sc(-c4ccccc4Cl)nn32)CC1 ZINC000057354685 210209247 /nfs/dbraw/zinc/20/92/47/210209247.db2.gz XVZBGYKLTGWGAN-UHFFFAOYSA-N 1 2 362.846 1.894 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)c2cccc(N3CCCC3)c2)CC[N@@H+]1C(C)C ZINC000257306189 529928156 /nfs/dbraw/zinc/92/81/56/529928156.db2.gz STFPDNLWJUFEGJ-GOSISDBHSA-N 1 2 358.486 1.568 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)c2cccc(N3CCCC3)c2)CC[N@H+]1C(C)C ZINC000257306189 529928157 /nfs/dbraw/zinc/92/81/57/529928157.db2.gz STFPDNLWJUFEGJ-GOSISDBHSA-N 1 2 358.486 1.568 40 0 FDABLO OCCCNc1nc(NCc2ccccc2F)cc(-c2ccncc2)[nH+]1 ZINC000329030741 210130666 /nfs/dbraw/zinc/13/06/66/210130666.db2.gz QFQIEFHKPASTOG-UHFFFAOYSA-N 1 2 353.401 1.928 40 0 FDABLO CC[C@@H](C)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2cccnc2)n1 ZINC000328957280 210125758 /nfs/dbraw/zinc/12/57/58/210125758.db2.gz AJUOJBQWSJERFX-OAHLLOKOSA-N 1 2 356.474 1.337 40 0 FDABLO Cc1cncc(OCC[C@H]2CCOC3(C[NH+](Cc4cnn(C)c4)C3)C2)n1 ZINC000306142768 210057430 /nfs/dbraw/zinc/05/74/30/210057430.db2.gz XJATUNPBIJZARF-INIZCTEOSA-N 1 2 357.458 1.969 40 0 FDABLO Cc1ncsc1CN1Cc2c[nH+]cn2[C@H](CCNS(C)(=O)=O)C1 ZINC000306129326 210051806 /nfs/dbraw/zinc/05/18/06/210051806.db2.gz IASRPLRHFGHRIZ-GFCCVEGCSA-N 1 2 355.489 1.144 40 0 FDABLO CS(=O)(=O)NC[C@H]1CN(Cc2ccc3ccccc3n2)Cc2c[nH+]cn21 ZINC000306125350 210049282 /nfs/dbraw/zinc/04/92/82/210049282.db2.gz CNDZKOWXGKMBOO-KRWDZBQOSA-N 1 2 371.466 1.537 40 0 FDABLO C[N@@H+]1C[C@@H](NC(=O)c2cnccn2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530079 220003102 /nfs/dbraw/zinc/00/31/02/220003102.db2.gz XORFHTCXJXCDAM-ZFWWWQNUSA-N 1 2 350.382 1.702 40 0 biogenic,in-vitro FDABLO C[N@H+]1C[C@@H](NC(=O)c2cnccn2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530079 220003105 /nfs/dbraw/zinc/00/31/05/220003105.db2.gz XORFHTCXJXCDAM-ZFWWWQNUSA-N 1 2 350.382 1.702 40 0 biogenic,in-vitro FDABLO CCc1[nH+]c2cc(NC(=O)CCCN3C(=O)CNC3=O)ccc2n1CC ZINC000019523205 211228728 /nfs/dbraw/zinc/22/87/28/211228728.db2.gz FORLHGKUSWJYCH-UHFFFAOYSA-N 1 2 357.414 1.889 40 0 FDABLO C[C@H](Cn1cncn1)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000019457898 211224532 /nfs/dbraw/zinc/22/45/32/211224532.db2.gz ZLDPDYLBGSJSBA-OAHLLOKOSA-N 1 2 359.430 1.264 40 0 FDABLO c1coc(-c2nc(NCC[NH+]3CCOCC3)ncc2-c2cnccn2)c1 ZINC000019342418 211215787 /nfs/dbraw/zinc/21/57/87/211215787.db2.gz ONDNYXPTLFZQGO-UHFFFAOYSA-N 1 2 352.398 1.938 40 0 FDABLO CC(=O)c1nnn(-c2ccc(F)cc2)c1N1CCC([NH+]2CCOCC2)CC1 ZINC000019023082 211199242 /nfs/dbraw/zinc/19/92/42/211199242.db2.gz NWYHCCAHOJSUSY-UHFFFAOYSA-N 1 2 373.432 1.910 40 0 FDABLO Cc1cnc(C(=O)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)cn1 ZINC000096159002 132221183 /nfs/dbraw/zinc/22/11/83/132221183.db2.gz LHDOXAGWQBMFQO-UHFFFAOYSA-N 1 2 353.426 1.692 40 0 FDABLO Cc1cc(N2CCC[C@@H](c3ccnc4c(C(=O)N(C)C)cnn43)C2)nc[nH+]1 ZINC000257265724 132296014 /nfs/dbraw/zinc/29/60/14/132296014.db2.gz MAAMRJMOZHQBRD-CQSZACIVSA-N 1 2 365.441 1.914 40 0 FDABLO Cn1ccnc1C[N@@H+]1CC[C@]2(C1)COCCN(C(=O)c1cccnc1)C2 ZINC000096062368 222009213 /nfs/dbraw/zinc/00/92/13/222009213.db2.gz NMXOEXDSXILRKN-LJQANCHMSA-N 1 2 355.442 1.180 40 0 FDABLO Cn1ccnc1C[N@H+]1CC[C@]2(C1)COCCN(C(=O)c1cccnc1)C2 ZINC000096062368 222009218 /nfs/dbraw/zinc/00/92/18/222009218.db2.gz NMXOEXDSXILRKN-LJQANCHMSA-N 1 2 355.442 1.180 40 0 FDABLO Cc1ccc(C(=O)N2CCOC[C@@]3(CC[N@@H+](Cc4nccn4C)C3)C2)o1 ZINC000096062377 222009505 /nfs/dbraw/zinc/00/95/05/222009505.db2.gz FPNMPPPKHFSZTP-LJQANCHMSA-N 1 2 358.442 1.686 40 0 FDABLO Cc1ccc(C(=O)N2CCOC[C@@]3(CC[N@H+](Cc4nccn4C)C3)C2)o1 ZINC000096062377 222009508 /nfs/dbraw/zinc/00/95/08/222009508.db2.gz FPNMPPPKHFSZTP-LJQANCHMSA-N 1 2 358.442 1.686 40 0 FDABLO Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCC[N@@H+](Cc2nccn2C)C3)nn1 ZINC000096240549 222095603 /nfs/dbraw/zinc/09/56/03/222095603.db2.gz MBWJGWXWYYFDAS-QFBILLFUSA-N 1 2 372.473 1.238 40 0 FDABLO Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCC[N@H+](Cc2nccn2C)C3)nn1 ZINC000096240549 222095605 /nfs/dbraw/zinc/09/56/05/222095605.db2.gz MBWJGWXWYYFDAS-QFBILLFUSA-N 1 2 372.473 1.238 40 0 FDABLO Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(Cc2[nH+]ccn2C)C3)nn1 ZINC000096240549 222095608 /nfs/dbraw/zinc/09/56/08/222095608.db2.gz MBWJGWXWYYFDAS-QFBILLFUSA-N 1 2 372.473 1.238 40 0 FDABLO CC(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251437 222100671 /nfs/dbraw/zinc/10/06/71/222100671.db2.gz WTAXBKKLJXAFMY-PXNSSMCTSA-N 1 2 356.470 1.673 40 0 FDABLO CC[N@@H+]1C[C@@H]2c3nc(NCc4ccccn4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096252106 222102005 /nfs/dbraw/zinc/10/20/05/222102005.db2.gz LUOWLPPBWSNFDD-LSDHHAIUSA-N 1 2 359.455 1.200 40 0 FDABLO CC[N@H+]1C[C@@H]2c3nc(NCc4ccccn4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096252106 222102010 /nfs/dbraw/zinc/10/20/10/222102010.db2.gz LUOWLPPBWSNFDD-LSDHHAIUSA-N 1 2 359.455 1.200 40 0 FDABLO CNC(=O)c1cc2c([nH+]c1NCC1CC1)CCN(c1ccncn1)CC2 ZINC000096260554 222103793 /nfs/dbraw/zinc/10/37/93/222103793.db2.gz AQBCDZIKRYBOES-UHFFFAOYSA-N 1 2 352.442 1.658 40 0 FDABLO O=C(c1ccoc1)N1CCOC[C@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000096160289 222060284 /nfs/dbraw/zinc/06/02/84/222060284.db2.gz RWTYGNGLAUITAZ-AEFFLSMTSA-N 1 2 350.415 1.002 40 0 FDABLO Cc1ccc(C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)o1 ZINC000096197584 222073206 /nfs/dbraw/zinc/07/32/06/222073206.db2.gz IVHAKKJSKOECHC-UHFFFAOYSA-N 1 2 353.382 1.436 40 0 FDABLO CCN1C(=O)[C@@H](c2cnn(C)c2)CC12CC[NH+](Cc1nccn1C)CC2 ZINC000096199528 222073855 /nfs/dbraw/zinc/07/38/55/222073855.db2.gz ZLOUWVLGPNCIGI-MRXNPFEDSA-N 1 2 356.474 1.524 40 0 FDABLO Cc1csc2c1nc1n(c2=O)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000012221609 518595759 /nfs/dbraw/zinc/59/57/59/518595759.db2.gz FPDMTXPUMUFUSZ-ZDUSSCGKSA-N 1 2 371.466 1.999 40 0 FDABLO Cc1cc(N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)nc(C(C)C)[nH+]1 ZINC000012325933 518604479 /nfs/dbraw/zinc/60/44/79/518604479.db2.gz IWQRYFYNFUAHER-UHFFFAOYSA-N 1 2 355.442 1.570 40 0 FDABLO CNc1nc(N2CC[NH+](CCO)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 ZINC000020503122 518850622 /nfs/dbraw/zinc/85/06/22/518850622.db2.gz KCNZRWXROXRPSU-CYBMUJFWSA-N 1 2 371.441 1.138 40 0 FDABLO COc1ccc(CC(=O)N2CCc3nnc([C@@H]4CCC[N@@H+]4C)n3CC2)cc1 ZINC000072380195 522228853 /nfs/dbraw/zinc/22/88/53/522228853.db2.gz YLIVJNJSIJBQJE-KRWDZBQOSA-N 1 2 369.469 1.681 40 0 FDABLO COc1ccc(CC(=O)N2CCc3nnc([C@@H]4CCC[N@H+]4C)n3CC2)cc1 ZINC000072380195 522228860 /nfs/dbraw/zinc/22/88/60/522228860.db2.gz YLIVJNJSIJBQJE-KRWDZBQOSA-N 1 2 369.469 1.681 40 0 FDABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]2OCC(=O)N(C)[C@H]2CC1 ZINC000257253465 534673893 /nfs/dbraw/zinc/67/38/93/534673893.db2.gz JZAWXTKGOINDPA-IRXDYDNUSA-N 1 2 356.426 1.193 40 0 FDABLO CCCn1cc[nH+]c1CN1CCO[C@H](c2nccc(CNC(C)=O)n2)C1 ZINC000257222992 528868416 /nfs/dbraw/zinc/86/84/16/528868416.db2.gz DVKJVYCNIVMQPZ-INIZCTEOSA-N 1 2 358.446 1.293 40 0 FDABLO O=S1(=O)CC[C@H](COCc2cccnc2)C12C[NH+](C1CCOCC1)C2 ZINC000247293451 537103858 /nfs/dbraw/zinc/10/38/58/537103858.db2.gz BUAHIZFJOILLFQ-MRXNPFEDSA-N 1 2 366.483 1.266 40 0 FDABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](OCC(=O)N2CCCC2)CS3)n(C)n1 ZINC000248029393 537163395 /nfs/dbraw/zinc/16/33/95/537163395.db2.gz KQAQJIILEKCMEU-MRXNPFEDSA-N 1 2 364.515 1.427 40 0 FDABLO CCCNC(=O)N1CCC(O)(c2csc(C[N@@H+]3CC[C@@H](O)C3)n2)CC1 ZINC000225465768 537550301 /nfs/dbraw/zinc/55/03/01/537550301.db2.gz USIHVDIGDJTREP-CYBMUJFWSA-N 1 2 368.503 1.113 40 0 biogenic,in-vitro FDABLO CCCNC(=O)N1CCC(O)(c2csc(C[N@H+]3CC[C@@H](O)C3)n2)CC1 ZINC000225465768 537550307 /nfs/dbraw/zinc/55/03/07/537550307.db2.gz USIHVDIGDJTREP-CYBMUJFWSA-N 1 2 368.503 1.113 40 0 biogenic,in-vitro FDABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](CCOCC(=O)N(C)C)C2)no1 ZINC000585095499 551568756 /nfs/dbraw/zinc/56/87/56/551568756.db2.gz UJKZGGJSIJHFBX-INIZCTEOSA-N 1 2 360.458 1.911 40 0 FDABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](CCOCC(=O)N(C)C)C2)no1 ZINC000585095499 551568758 /nfs/dbraw/zinc/56/87/58/551568758.db2.gz UJKZGGJSIJHFBX-INIZCTEOSA-N 1 2 360.458 1.911 40 0 FDABLO CCOCC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCCc2cccs2)C1 ZINC000585096151 551568932 /nfs/dbraw/zinc/56/89/32/551568932.db2.gz VMHLIEFBSWAKRC-OAHLLOKOSA-N 1 2 362.455 1.223 40 0 FDABLO O=C(NCCc1cccs1)[C@H]1CN(C(=O)C2CCC2)Cc2c[nH+]cn21 ZINC000585096027 551569008 /nfs/dbraw/zinc/56/90/08/551569008.db2.gz NFSDXTXLZZSIAT-MRXNPFEDSA-N 1 2 358.467 1.987 40 0 FDABLO O=S(=O)(NC[C@@H]1CCC2(C[NH+](Cc3cccs3)C2)OC1)C1CC1 ZINC000585103497 551571195 /nfs/dbraw/zinc/57/11/95/551571195.db2.gz BIXRKBSOSVHNPT-ZDUSSCGKSA-N 1 2 356.513 1.811 40 0 FDABLO O=S(=O)(NCC[C@H]1CCOC12C[NH+](Cc1ccc(F)cc1)C2)C1CC1 ZINC000585103442 551571274 /nfs/dbraw/zinc/57/12/74/551571274.db2.gz WHUYENKVDCRNKX-HNNXBMFYSA-N 1 2 368.474 1.889 40 0 FDABLO CCS(=O)(=O)NCC[C@@H]1CCOC12C[NH+](Cc1ccc(OC)cc1)C2 ZINC000585102832 551571398 /nfs/dbraw/zinc/57/13/98/551571398.db2.gz JVVRINHELLISCU-MRXNPFEDSA-N 1 2 368.499 1.616 40 0 FDABLO O=C(C1CC(F)C1)N1CC[C@H]2O[C@@H](COCC[NH+]3CCOCC3)CC[C@H]21 ZINC000585108461 551572844 /nfs/dbraw/zinc/57/28/44/551572844.db2.gz OVAZMLWOLICPHM-NHHFINERSA-N 1 2 370.465 1.232 40 0 FDABLO CC(=O)Nc1ccc(-c2c[nH+]c3n2CCN(C(=O)[C@@H]2CCOC2)CC3)cc1 ZINC000585111312 551573657 /nfs/dbraw/zinc/57/36/57/551573657.db2.gz NYTLPCYNUUSXIO-MRXNPFEDSA-N 1 2 368.437 1.930 40 0 FDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)CC1 ZINC000408602067 570579463 /nfs/dbraw/zinc/57/94/63/570579463.db2.gz HPZLYZXSXAOSIQ-UHFFFAOYSA-N 1 2 353.488 1.459 40 0 FDABLO Cc1ccc(N(CC(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)c(C)c1 ZINC000408629571 570597595 /nfs/dbraw/zinc/59/75/95/570597595.db2.gz DPUVULKQGNICHS-UHFFFAOYSA-N 1 2 364.471 1.472 40 0 FDABLO CCOC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2OC)Cc2c[nH+]cn21 ZINC000253478385 571135805 /nfs/dbraw/zinc/13/58/05/571135805.db2.gz KRBPDFFUZMZTNA-HNNXBMFYSA-N 1 2 365.455 1.982 40 0 FDABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C3COC3)CC[N@@H+]21 ZINC000253400917 210215273 /nfs/dbraw/zinc/21/52/73/210215273.db2.gz MELVZBAOJOEKTI-KRWDZBQOSA-N 1 2 358.486 1.375 40 0 biogenic,in-vitro FDABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C3COC3)CC[N@H+]21 ZINC000253400917 210215275 /nfs/dbraw/zinc/21/52/75/210215275.db2.gz MELVZBAOJOEKTI-KRWDZBQOSA-N 1 2 358.486 1.375 40 0 biogenic,in-vitro FDABLO CNC(=O)[C@@H]1CN(C(=O)c2cccc(N3CCCC3)c2)CC[N@@H+]1C(C)C ZINC000257306190 529909341 /nfs/dbraw/zinc/90/93/41/529909341.db2.gz STFPDNLWJUFEGJ-SFHVURJKSA-N 1 2 358.486 1.568 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)c2cccc(N3CCCC3)c2)CC[N@H+]1C(C)C ZINC000257306190 529909344 /nfs/dbraw/zinc/90/93/44/529909344.db2.gz STFPDNLWJUFEGJ-SFHVURJKSA-N 1 2 358.486 1.568 40 0 FDABLO COc1cccc(CNc2cc(-c3ccncc3)[nH+]c(NCCCO)n2)c1 ZINC000328987043 210129022 /nfs/dbraw/zinc/12/90/22/210129022.db2.gz IAFDHXCQOFBVGK-UHFFFAOYSA-N 1 2 365.437 1.797 40 0 FDABLO COc1cccc(C[N@H+]2Cc3ncnn3C[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000306139341 210056276 /nfs/dbraw/zinc/05/62/76/210056276.db2.gz SUYLSBCNBAIJGA-INIZCTEOSA-N 1 2 355.442 1.541 40 0 FDABLO COc1cccc(C[N@@H+]2Cc3ncnn3C[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000306139341 210056280 /nfs/dbraw/zinc/05/62/80/210056280.db2.gz SUYLSBCNBAIJGA-INIZCTEOSA-N 1 2 355.442 1.541 40 0 FDABLO O=C(NC[C@H]1Cn2nccc2C[N@H+](Cc2ccccn2)C1)c1ccnnc1 ZINC000306129703 210050614 /nfs/dbraw/zinc/05/06/14/210050614.db2.gz IKKWBVJMMIKGHJ-OAHLLOKOSA-N 1 2 363.425 1.130 40 0 FDABLO O=C(NC[C@H]1Cn2nccc2C[N@@H+](Cc2ccccn2)C1)c1ccnnc1 ZINC000306129703 210050618 /nfs/dbraw/zinc/05/06/18/210050618.db2.gz IKKWBVJMMIKGHJ-OAHLLOKOSA-N 1 2 363.425 1.130 40 0 FDABLO COc1ccccc1C[N@H+]1Cc2ncnn2C[C@@H](C(=O)NCC2CC2)C1 ZINC000306134585 210054654 /nfs/dbraw/zinc/05/46/54/210054654.db2.gz NSQLTTSTPBPNRS-INIZCTEOSA-N 1 2 355.442 1.445 40 0 FDABLO COc1ccccc1C[N@@H+]1Cc2ncnn2C[C@@H](C(=O)NCC2CC2)C1 ZINC000306134585 210054657 /nfs/dbraw/zinc/05/46/57/210054657.db2.gz NSQLTTSTPBPNRS-INIZCTEOSA-N 1 2 355.442 1.445 40 0 FDABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc43)C2)[nH+]1 ZINC000257304982 223059731 /nfs/dbraw/zinc/05/97/31/223059731.db2.gz SNYJJECNDRTSEY-ZDUSSCGKSA-N 1 2 351.410 1.985 40 0 FDABLO CC(C)OCC(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000019708690 211247262 /nfs/dbraw/zinc/24/72/62/211247262.db2.gz GSWMXUYOCWLYPW-GOSISDBHSA-N 1 2 374.485 1.558 40 0 FDABLO CNc1cc([C@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)cc[nH+]1 ZINC000257225590 533054662 /nfs/dbraw/zinc/05/46/62/533054662.db2.gz FGXHTQFRPGMTCG-ZDUSSCGKSA-N 1 2 359.430 1.160 40 0 FDABLO O=C1CO[C@]2(CN1c1cccc(F)c1)COCCN(c1cccc[nH+]1)C2 ZINC000096240113 132223734 /nfs/dbraw/zinc/22/37/34/132223734.db2.gz DFDDJARAODDFFD-LJQANCHMSA-N 1 2 357.385 1.860 40 0 FDABLO CC1CCN(c2ccc(NC(=S)NCC[NH+]3CCOCC3)cn2)CC1 ZINC000223893157 132280364 /nfs/dbraw/zinc/28/03/64/132280364.db2.gz VTIYGIRCXARNIO-UHFFFAOYSA-N 1 2 363.531 1.937 40 0 FDABLO Cc1nn(C)cc1CCC(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257208819 132294723 /nfs/dbraw/zinc/29/47/23/132294723.db2.gz BNRWCHNZFDEXIT-LJQANCHMSA-N 1 2 357.458 1.204 40 0 FDABLO C[N@H+](Cc1cn2c(n1)CN(C(=O)c1cnccn1)CC2)Cc1cccnc1 ZINC000096059554 222006471 /nfs/dbraw/zinc/00/64/71/222006471.db2.gz SCTLOTXEVAYMLK-UHFFFAOYSA-N 1 2 363.425 1.356 40 0 FDABLO C[N@@H+](Cc1cn2c(n1)CN(C(=O)c1cnccn1)CC2)Cc1cccnc1 ZINC000096059554 222006475 /nfs/dbraw/zinc/00/64/75/222006475.db2.gz SCTLOTXEVAYMLK-UHFFFAOYSA-N 1 2 363.425 1.356 40 0 FDABLO Cc1cccc(C(=O)N2CCOC[C@]3(CC[N@@H+](Cc4nccn4C)C3)C2)n1 ZINC000096062374 222008468 /nfs/dbraw/zinc/00/84/68/222008468.db2.gz LZXITMMBLWZZBE-FQEVSTJZSA-N 1 2 369.469 1.488 40 0 FDABLO Cc1cccc(C(=O)N2CCOC[C@]3(CC[N@H+](Cc4nccn4C)C3)C2)n1 ZINC000096062374 222008472 /nfs/dbraw/zinc/00/84/72/222008472.db2.gz LZXITMMBLWZZBE-FQEVSTJZSA-N 1 2 369.469 1.488 40 0 FDABLO O=C(c1c[nH]cn1)N1CCOC[C@]2(C[C@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240466 222096039 /nfs/dbraw/zinc/09/60/39/222096039.db2.gz CUHMVRXQCWRHSY-KDOFPFPSSA-N 1 2 357.414 1.165 40 0 FDABLO O=C(c1cnc[nH]1)N1CCOC[C@]2(C[C@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240466 222096043 /nfs/dbraw/zinc/09/60/43/222096043.db2.gz CUHMVRXQCWRHSY-KDOFPFPSSA-N 1 2 357.414 1.165 40 0 FDABLO CNC(=O)c1cc2c([nH+]c1NCC(C)C)CCN(c1ncccn1)CC2 ZINC000096260490 222103194 /nfs/dbraw/zinc/10/31/94/222103194.db2.gz HOFUKKWWUAIYIE-UHFFFAOYSA-N 1 2 354.458 1.904 40 0 FDABLO COC[C@@H]1CCC2(CC[NH+](Cc3cc(C)on3)CC2)N1S(C)(=O)=O ZINC000096206411 222075840 /nfs/dbraw/zinc/07/58/40/222075840.db2.gz QRKAVJAXAWNJOB-HNNXBMFYSA-N 1 2 357.476 1.388 40 0 FDABLO COC(=O)C[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340210 522218519 /nfs/dbraw/zinc/21/85/19/522218519.db2.gz IMDZHVSIBMYYHW-ZRGWGRIASA-N 1 2 363.385 1.854 40 0 FDABLO COC(=O)C[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340210 522218527 /nfs/dbraw/zinc/21/85/27/522218527.db2.gz IMDZHVSIBMYYHW-ZRGWGRIASA-N 1 2 363.385 1.854 40 0 FDABLO Cc1c[nH+]c(N)c(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)c1 ZINC000072373411 522226331 /nfs/dbraw/zinc/22/63/31/522226331.db2.gz AJFYMFYKJGRNLS-OAHLLOKOSA-N 1 2 372.469 1.650 40 0 FDABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)CN2CCOCC2)n1 ZINC000072378543 522228952 /nfs/dbraw/zinc/22/89/52/522228952.db2.gz ZQJDHOXCHKMNNQ-INIZCTEOSA-N 1 2 370.457 1.220 40 0 FDABLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000153360983 525190026 /nfs/dbraw/zinc/19/00/26/525190026.db2.gz YNANVDWYWGSXDD-HOTGVXAUSA-N 1 2 355.446 1.374 40 0 FDABLO Cc1ccc(C[NH+]2CC3(C2)CN(C)[C@H](C(=O)N2CCCCO2)CO3)s1 ZINC000247963268 537159958 /nfs/dbraw/zinc/15/99/58/537159958.db2.gz GCPHIVDOCQTUTI-INIZCTEOSA-N 1 2 365.499 1.496 40 0 FDABLO CNC(=O)[C@H]1COC2(C[NH+](Cc3cccc4[nH]ccc43)C2)CN1CC1CC1 ZINC000247965727 537159984 /nfs/dbraw/zinc/15/99/84/537159984.db2.gz SAQGJMOTUIIDLG-LJQANCHMSA-N 1 2 368.481 1.579 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(Cc3cccc4[nH]ccc43)C2)C[N@@H+]1CC1CC1 ZINC000247965727 537159986 /nfs/dbraw/zinc/15/99/86/537159986.db2.gz SAQGJMOTUIIDLG-LJQANCHMSA-N 1 2 368.481 1.579 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(Cc3cccc4[nH]ccc43)C2)C[N@H+]1CC1CC1 ZINC000247965727 537159990 /nfs/dbraw/zinc/15/99/90/537159990.db2.gz SAQGJMOTUIIDLG-LJQANCHMSA-N 1 2 368.481 1.579 40 0 FDABLO Cn1cnc2c1[C@@H](C(=O)NC1CC1)C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000248010437 537162692 /nfs/dbraw/zinc/16/26/92/537162692.db2.gz DQIUJVJBXBSORA-AWEZNQCLSA-N 1 2 354.410 1.527 40 0 FDABLO Cn1cnc2c1[C@@H](C(=O)NC1CC1)C[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000248010437 537162694 /nfs/dbraw/zinc/16/26/94/537162694.db2.gz DQIUJVJBXBSORA-AWEZNQCLSA-N 1 2 354.410 1.527 40 0 FDABLO COc1ncccc1C[N@H+]1Cc2cccn2[C@H](COCC(=O)N(C)C)C1 ZINC000248046226 537164408 /nfs/dbraw/zinc/16/44/08/537164408.db2.gz WNXUUQJSOUMERX-KRWDZBQOSA-N 1 2 358.442 1.553 40 0 FDABLO COc1ncccc1C[N@@H+]1Cc2cccn2[C@H](COCC(=O)N(C)C)C1 ZINC000248046226 537164410 /nfs/dbraw/zinc/16/44/10/537164410.db2.gz WNXUUQJSOUMERX-KRWDZBQOSA-N 1 2 358.442 1.553 40 0 FDABLO Cn1ccnc1C(=O)NCC[C@@H]1CCOC12C[NH+](Cc1cccnc1)C2 ZINC000248081359 537165654 /nfs/dbraw/zinc/16/56/54/537165654.db2.gz ALGIZNWYNIMBQT-MRXNPFEDSA-N 1 2 355.442 1.226 40 0 FDABLO Cn1ccnc1C(=O)NCC[C@H]1CCOC12C[NH+](Cc1cccnc1)C2 ZINC000248081358 537165660 /nfs/dbraw/zinc/16/56/60/537165660.db2.gz ALGIZNWYNIMBQT-INIZCTEOSA-N 1 2 355.442 1.226 40 0 FDABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@H](CCOCC(=O)N(C)C)C2)no1 ZINC000585095500 551568950 /nfs/dbraw/zinc/56/89/50/551568950.db2.gz UJKZGGJSIJHFBX-MRXNPFEDSA-N 1 2 360.458 1.911 40 0 FDABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@H](CCOCC(=O)N(C)C)C2)no1 ZINC000585095500 551568952 /nfs/dbraw/zinc/56/89/52/551568952.db2.gz UJKZGGJSIJHFBX-MRXNPFEDSA-N 1 2 360.458 1.911 40 0 FDABLO Cc1cc(C[N@H+]2CCn3c(COc4ccccn4)nnc3C[C@H]2C)n[nH]1 ZINC000585098279 551570331 /nfs/dbraw/zinc/57/03/31/551570331.db2.gz SWTGQNWETHVKQV-CQSZACIVSA-N 1 2 353.430 1.730 40 0 FDABLO Cc1cc(C[N@@H+]2CCn3c(COc4ccccn4)nnc3C[C@H]2C)n[nH]1 ZINC000585098279 551570333 /nfs/dbraw/zinc/57/03/33/551570333.db2.gz SWTGQNWETHVKQV-CQSZACIVSA-N 1 2 353.430 1.730 40 0 FDABLO CC(=O)c1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4csc(C)n4)C[C@@H]3C2)[nH]n1 ZINC000585107581 551572669 /nfs/dbraw/zinc/57/26/69/551572669.db2.gz IUKCKCXTDHDQMC-BETUJISGSA-N 1 2 359.455 1.581 40 0 FDABLO CC(=O)c1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4csc(C)n4)C[C@@H]3C2)[nH]n1 ZINC000585107581 551572670 /nfs/dbraw/zinc/57/26/70/551572670.db2.gz IUKCKCXTDHDQMC-BETUJISGSA-N 1 2 359.455 1.581 40 0 FDABLO CC(=O)Nc1ccc(-c2c[nH+]c3n2CCN(C(=O)[C@H]2CCOC2)CC3)cc1 ZINC000585111311 551573469 /nfs/dbraw/zinc/57/34/69/551573469.db2.gz NYTLPCYNUUSXIO-INIZCTEOSA-N 1 2 368.437 1.930 40 0 FDABLO Cc1ccc(C)c(C[N@H+]2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)c1 ZINC000585112651 551574671 /nfs/dbraw/zinc/57/46/71/551574671.db2.gz USAFMPPVDVVPLV-SFHVURJKSA-N 1 2 362.499 1.996 40 0 FDABLO Cc1ccc(C)c(C[N@@H+]2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)c1 ZINC000585112651 551574673 /nfs/dbraw/zinc/57/46/73/551574673.db2.gz USAFMPPVDVVPLV-SFHVURJKSA-N 1 2 362.499 1.996 40 0 FDABLO C[N@H+](CC(=O)N1CC[C@@H](O)[C@H](Cc2ccccc2)C1)Cc1ccncc1 ZINC000585275260 551576734 /nfs/dbraw/zinc/57/67/34/551576734.db2.gz BIMZYXGKPQENKX-WOJBJXKFSA-N 1 2 353.466 1.966 40 0 FDABLO C[N@@H+](CC(=O)N1CC[C@@H](O)[C@H](Cc2ccccc2)C1)Cc1ccncc1 ZINC000585275260 551576737 /nfs/dbraw/zinc/57/67/37/551576737.db2.gz BIMZYXGKPQENKX-WOJBJXKFSA-N 1 2 353.466 1.966 40 0 FDABLO COc1cc([C@@H]2NC(=O)CC[NH2+]2)cc(I)c1OC ZINC000408738670 570684813 /nfs/dbraw/zinc/68/48/13/570684813.db2.gz UPECHAJCEHNUSK-LBPRGKRZSA-N 1 2 362.167 1.417 40 0 FDABLO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000244325751 571053525 /nfs/dbraw/zinc/05/35/25/571053525.db2.gz XKZYEOIZBITFSS-OAHLLOKOSA-N 1 2 374.528 1.043 40 0 FDABLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CC[C@](F)(CO)C1 ZINC000332734510 571121171 /nfs/dbraw/zinc/12/11/71/571121171.db2.gz ZTVZJYWTAVORRV-IEBWSBKVSA-N 1 2 365.449 1.046 40 0 FDABLO O=C(c1[nH]nc2ccccc21)N1CCC[C@](O)(C[NH+]2CCOCC2)CC1 ZINC000257313092 571161110 /nfs/dbraw/zinc/16/11/10/571161110.db2.gz UQZYLEFPOAKZGJ-LJQANCHMSA-N 1 2 358.442 1.252 40 0 FDABLO O=C1CCCN1C[C@@H]1CC[C@]2(COCC[N@H+](Cc3nccs3)C2)O1 ZINC000306129352 210051850 /nfs/dbraw/zinc/05/18/50/210051850.db2.gz IBDLVDIKCDLYGG-YOEHRIQHSA-N 1 2 351.472 1.516 40 0 FDABLO O=C1CCCN1C[C@@H]1CC[C@]2(COCC[N@@H+](Cc3nccs3)C2)O1 ZINC000306129352 210051855 /nfs/dbraw/zinc/05/18/55/210051855.db2.gz IBDLVDIKCDLYGG-YOEHRIQHSA-N 1 2 351.472 1.516 40 0 FDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@@H]2N1C1CCOCC1 ZINC000257288996 223052716 /nfs/dbraw/zinc/05/27/16/223052716.db2.gz PWOGIVIOIAXCOV-IRXDYDNUSA-N 1 2 352.381 1.555 40 0 FDABLO O=C1CO[C@H]2C[N@H+](Cc3ccc(F)cc3F)C[C@@H]2N1C1CCOCC1 ZINC000257288996 223052718 /nfs/dbraw/zinc/05/27/18/223052718.db2.gz PWOGIVIOIAXCOV-IRXDYDNUSA-N 1 2 352.381 1.555 40 0 FDABLO CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCC[N@@H+]1Cc1cnccn1 ZINC000257297247 223054853 /nfs/dbraw/zinc/05/48/53/223054853.db2.gz RGMXBUYHIUXFDN-INIZCTEOSA-N 1 2 365.441 1.948 40 0 FDABLO CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCC[N@H+]1Cc1cnccn1 ZINC000257297247 223054854 /nfs/dbraw/zinc/05/48/54/223054854.db2.gz RGMXBUYHIUXFDN-INIZCTEOSA-N 1 2 365.441 1.948 40 0 FDABLO Cc1[nH+]cc(-c2nccnc2[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1C ZINC000257314790 223063487 /nfs/dbraw/zinc/06/34/87/223063487.db2.gz UYLKKFGOCVZCED-CYBMUJFWSA-N 1 2 364.475 1.171 40 0 FDABLO C[N@@H+]1C[C@@H](NC(=O)c2cccnc2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000012529871 220003327 /nfs/dbraw/zinc/00/33/27/220003327.db2.gz ISTXBTIAUOQZBA-GJZGRUSLSA-N 1 2 350.382 1.702 40 0 biogenic,in-vitro FDABLO C[N@H+]1C[C@@H](NC(=O)c2cccnc2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000012529871 220003330 /nfs/dbraw/zinc/00/33/30/220003330.db2.gz ISTXBTIAUOQZBA-GJZGRUSLSA-N 1 2 350.382 1.702 40 0 biogenic,in-vitro FDABLO Nc1nc(N)c2c([nH+]1)NC(=O)C[C@H]2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013569880 220074368 /nfs/dbraw/zinc/07/43/68/220074368.db2.gz WRAUBVMZZKXHBV-MRVPVSSYSA-N 1 2 366.303 1.724 40 0 FDABLO Nc1nc(N)c2c([nH+]1)NC(=O)C[C@@H]2C(=O)Nc1ccc(F)c(Cl)c1 ZINC000013570415 220074392 /nfs/dbraw/zinc/07/43/92/220074392.db2.gz XPAPHGMNCROKTG-LURJTMIESA-N 1 2 350.741 1.498 40 0 FDABLO Cc1ccc(F)cc1NC(=O)CN1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000019214613 220238743 /nfs/dbraw/zinc/23/87/43/220238743.db2.gz DTWZTDFRZDSBGS-UHFFFAOYSA-N 1 2 350.438 1.215 40 0 FDABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](NC(=O)c3cnc(C)cn3)CC2)no1 ZINC000019749186 211254282 /nfs/dbraw/zinc/25/42/82/211254282.db2.gz QJDRDZATVZCMLE-CQSZACIVSA-N 1 2 372.429 1.304 40 0 FDABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](NC(=O)c3cnc(C)cn3)CC2)no1 ZINC000019749186 211254284 /nfs/dbraw/zinc/25/42/84/211254284.db2.gz QJDRDZATVZCMLE-CQSZACIVSA-N 1 2 372.429 1.304 40 0 FDABLO O=C(CN1CCN(C2CCCC2)C(=O)C1)Nc1ccccc1-n1cc[nH+]c1 ZINC000019658450 211243227 /nfs/dbraw/zinc/24/32/27/211243227.db2.gz KMOPCAALYCSNIY-UHFFFAOYSA-N 1 2 367.453 1.898 40 0 FDABLO CCn1cc(C[NH+]2CCN(C(=O)[C@H](C)n3cc(Cl)cn3)CC2)cn1 ZINC000019524949 211227305 /nfs/dbraw/zinc/22/73/05/211227305.db2.gz VNCJMDLICGBIDP-ZDUSSCGKSA-N 1 2 350.854 1.658 40 0 FDABLO O=c1[nH]c2ccc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2o1 ZINC000002339484 210391398 /nfs/dbraw/zinc/39/13/98/210391398.db2.gz QFYJOSBUUBYJJV-UHFFFAOYSA-N 1 2 373.434 1.628 40 0 FDABLO C[N@@H+]1C[C@@H](NC(=O)c2cccnc2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000020464192 220328436 /nfs/dbraw/zinc/32/84/36/220328436.db2.gz RSXDZUFAYAKGPM-GJZGRUSLSA-N 1 2 350.382 1.702 40 0 biogenic,in-vitro FDABLO C[N@H+]1C[C@@H](NC(=O)c2cccnc2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000020464192 220328441 /nfs/dbraw/zinc/32/84/41/220328441.db2.gz RSXDZUFAYAKGPM-GJZGRUSLSA-N 1 2 350.382 1.702 40 0 biogenic,in-vitro FDABLO Cc1c(Cl)c(C(F)F)nn1CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000022266912 220381169 /nfs/dbraw/zinc/38/11/69/220381169.db2.gz YIJROOFUBIRRIC-SECBINFHSA-N 1 2 350.797 1.619 40 0 FDABLO CCc1noc(CCC(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)n1 ZINC000257219772 132294993 /nfs/dbraw/zinc/29/49/93/132294993.db2.gz DIBYQUOPMLFPDD-GOSISDBHSA-N 1 2 359.430 1.107 40 0 FDABLO O=S(=O)(C1CC1)N1CCOC[C@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC000096062455 222009784 /nfs/dbraw/zinc/00/97/84/222009784.db2.gz SPKMEIQVVRTOMG-HNNXBMFYSA-N 1 2 357.501 1.160 40 0 FDABLO O=S(=O)(C1CC1)N1CCOC[C@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC000096062455 222009785 /nfs/dbraw/zinc/00/97/85/222009785.db2.gz SPKMEIQVVRTOMG-HNNXBMFYSA-N 1 2 357.501 1.160 40 0 FDABLO O=C(c1c[nH]cn1)N1CCOC[C@]2(C[C@@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240465 222094887 /nfs/dbraw/zinc/09/48/87/222094887.db2.gz CUHMVRXQCWRHSY-KSSFIOAISA-N 1 2 357.414 1.165 40 0 FDABLO O=C(c1cnc[nH]1)N1CCOC[C@]2(C[C@@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240465 222094891 /nfs/dbraw/zinc/09/48/91/222094891.db2.gz CUHMVRXQCWRHSY-KSSFIOAISA-N 1 2 357.414 1.165 40 0 FDABLO CCOC(=O)[C@]1(CC)[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000100420191 222243445 /nfs/dbraw/zinc/24/34/45/222243445.db2.gz QXYJPYRNFVYREE-QCUYGVNKSA-N 1 2 360.410 1.282 40 0 FDABLO Cc1cccc([C@H]2CC(=O)c3cnc(N4CC[NH+](CCO)CC4)nc3C2)c1 ZINC000021123187 263382520 /nfs/dbraw/zinc/38/25/20/263382520.db2.gz HYEBAJUWAPRMEK-QGZVFWFLSA-N 1 2 366.465 1.812 40 0 FDABLO Cn1cccc1C=C(NC(=O)c1cccs1)C(=O)NCCc1c[nH+]c[nH]1 ZINC000004902858 518318198 /nfs/dbraw/zinc/31/81/98/518318198.db2.gz CUAFIBHOTKVGLR-XNTDXEJSSA-N 1 2 369.450 1.940 40 0 FDABLO Cn1cccc1C=C(NC(=O)c1cccs1)C(=O)NCCc1c[nH]c[nH+]1 ZINC000004902858 518318203 /nfs/dbraw/zinc/31/82/03/518318203.db2.gz CUAFIBHOTKVGLR-XNTDXEJSSA-N 1 2 369.450 1.940 40 0 FDABLO Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(O)(c2ccc3c(c2)OCO3)CC1 ZINC000004967780 518321218 /nfs/dbraw/zinc/32/12/18/518321218.db2.gz DROAIXTZIKFBFA-UHFFFAOYSA-N 1 2 372.425 1.677 40 0 FDABLO Cc1nonc1NC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 ZINC000012144521 518591174 /nfs/dbraw/zinc/59/11/74/518591174.db2.gz WQYFLTFEZWFIKE-NCNPBXTDSA-N 1 2 360.389 1.970 40 0 FDABLO Cc1nonc1NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 ZINC000012144521 518591177 /nfs/dbraw/zinc/59/11/77/518591177.db2.gz WQYFLTFEZWFIKE-NCNPBXTDSA-N 1 2 360.389 1.970 40 0 FDABLO O=C(NCC[NH+]1CCOCC1)c1ccccc1I ZINC000033450970 519586778 /nfs/dbraw/zinc/58/67/78/519586778.db2.gz ZGRFYIXRNGTBDL-UHFFFAOYSA-N 1 2 360.195 1.353 40 0 FDABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)CN2CCOCC2)n1 ZINC000072378544 522227900 /nfs/dbraw/zinc/22/79/00/522227900.db2.gz ZQJDHOXCHKMNNQ-MRXNPFEDSA-N 1 2 370.457 1.220 40 0 FDABLO CCN1C[C@@]2(CC1=O)CN(C(=O)C(C)C)CC[N@H+](Cc1nccs1)C2 ZINC000096036173 525122448 /nfs/dbraw/zinc/12/24/48/525122448.db2.gz NSOIOMVQQMHXMC-SFHVURJKSA-N 1 2 364.515 1.682 40 0 FDABLO CCN1C[C@@]2(CC1=O)CN(C(=O)C(C)C)CC[N@@H+](Cc1nccs1)C2 ZINC000096036173 525122456 /nfs/dbraw/zinc/12/24/56/525122456.db2.gz NSOIOMVQQMHXMC-SFHVURJKSA-N 1 2 364.515 1.682 40 0 FDABLO COC[C@H]1c2c(cnn2CC2CCOCC2)CC[N@H+]1Cc1cnn(C)c1 ZINC000096044532 525128108 /nfs/dbraw/zinc/12/81/08/525128108.db2.gz QDSSWQTXVJZTMW-SFHVURJKSA-N 1 2 359.474 1.789 40 0 FDABLO COC[C@H]1c2c(cnn2CC2CCOCC2)CC[N@@H+]1Cc1cnn(C)c1 ZINC000096044532 525128115 /nfs/dbraw/zinc/12/81/15/525128115.db2.gz QDSSWQTXVJZTMW-SFHVURJKSA-N 1 2 359.474 1.789 40 0 FDABLO CC[N@H+](Cc1ccccc1C(=O)[O-])C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257310774 528832849 /nfs/dbraw/zinc/83/28/49/528832849.db2.gz UGMZHDPJYYAZJO-SFHVURJKSA-N 1 2 357.414 1.555 40 0 FDABLO CC[N@@H+](Cc1ccccc1C(=O)[O-])C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257310774 528832853 /nfs/dbraw/zinc/83/28/53/528832853.db2.gz UGMZHDPJYYAZJO-SFHVURJKSA-N 1 2 357.414 1.555 40 0 FDABLO COc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C(=O)NCc4cccnc4)[C@@H](C2)O3)cc1 ZINC000247913324 537157400 /nfs/dbraw/zinc/15/74/00/537157400.db2.gz VFSXTGWEDCDZGR-VAMGGRTRSA-N 1 2 367.449 1.996 40 0 FDABLO COc1ccc(C[N@H+]2C[C@H]3C[C@@H](C(=O)NCc4cccnc4)[C@@H](C2)O3)cc1 ZINC000247913324 537157402 /nfs/dbraw/zinc/15/74/02/537157402.db2.gz VFSXTGWEDCDZGR-VAMGGRTRSA-N 1 2 367.449 1.996 40 0 FDABLO CN(C)C(=O)COC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21 ZINC000247971173 537160108 /nfs/dbraw/zinc/16/01/08/537160108.db2.gz HROIWYRJVDGHDQ-MRXNPFEDSA-N 1 2 372.425 1.274 40 0 FDABLO Cn1cccc1C(=O)NC[C@@H]1CCC2(C[NH+](Cc3cccnc3)C2)OC1 ZINC000248104518 537166336 /nfs/dbraw/zinc/16/63/36/537166336.db2.gz FNMCQSQLAJXKBM-KRWDZBQOSA-N 1 2 354.454 1.831 40 0 FDABLO Cn1cc(C(=O)NC[C@@H]2CCC3(C[NH+](Cc4ccccn4)C3)OC2)cn1 ZINC000248153473 537169189 /nfs/dbraw/zinc/16/91/89/537169189.db2.gz UZSANVHOHBYUNF-HNNXBMFYSA-N 1 2 355.442 1.226 40 0 FDABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N[C@H](C)C(C)C ZINC000225223346 537544804 /nfs/dbraw/zinc/54/48/04/537544804.db2.gz ZRTUFCBRYWQZSJ-OAHLLOKOSA-N 1 2 367.515 1.705 40 0 FDABLO Cc1cc(C[N@H+]2CCn3c(COc4cccnc4)nnc3C[C@@H]2C)no1 ZINC000585098664 551570172 /nfs/dbraw/zinc/57/01/72/551570172.db2.gz WKPZOEIZOPRSRT-ZDUSSCGKSA-N 1 2 354.414 1.995 40 0 FDABLO Cc1cc(C[N@@H+]2CCn3c(COc4cccnc4)nnc3C[C@@H]2C)no1 ZINC000585098664 551570173 /nfs/dbraw/zinc/57/01/73/551570173.db2.gz WKPZOEIZOPRSRT-ZDUSSCGKSA-N 1 2 354.414 1.995 40 0 FDABLO COc1ccc(C[NH+]2CC3(C2)CC[C@H](CNS(C)(=O)=O)CO3)cc1 ZINC000585105541 551572607 /nfs/dbraw/zinc/57/26/07/551572607.db2.gz ZFFOJJZDESPVCC-OAHLLOKOSA-N 1 2 354.472 1.225 40 0 FDABLO O=C(C1CC(F)(F)C1)N1CCc2[nH+]cc(CN3CCOCC3)n2CC1 ZINC000585110615 551573491 /nfs/dbraw/zinc/57/34/91/551573491.db2.gz IYYAOSHUTWNNJY-UHFFFAOYSA-N 1 2 354.401 1.145 40 0 FDABLO CS(=O)(=O)NCC[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000585112631 551574641 /nfs/dbraw/zinc/57/46/41/551574641.db2.gz UOKMVHUFPWZHCQ-MRXNPFEDSA-N 1 2 373.482 1.861 40 0 FDABLO CS(=O)(=O)NCC[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000585112631 551574644 /nfs/dbraw/zinc/57/46/44/551574644.db2.gz UOKMVHUFPWZHCQ-MRXNPFEDSA-N 1 2 373.482 1.861 40 0 FDABLO CC(C)C(=O)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(C3CCC(F)(F)CC3)C2)C1 ZINC000514288762 560034269 /nfs/dbraw/zinc/03/42/69/560034269.db2.gz DRNSDVSICZEAIZ-JKSUJKDBSA-N 1 2 371.472 1.552 40 0 biogenic,in-vitro FDABLO CC(C)C(=O)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(C3CCC(F)(F)CC3)C2)C1 ZINC000514288762 560034270 /nfs/dbraw/zinc/03/42/70/560034270.db2.gz DRNSDVSICZEAIZ-JKSUJKDBSA-N 1 2 371.472 1.552 40 0 biogenic,in-vitro FDABLO FC(F)(F)c1cc(NCC[NH+]2CCOCC2)nc(NC2CCCC2)n1 ZINC000328976329 210127437 /nfs/dbraw/zinc/12/74/37/210127437.db2.gz FODWCPHHSZHLBU-UHFFFAOYSA-N 1 2 359.396 1.438 40 0 FDABLO Cc1nnc2n1C1(CCN(C(=O)Cc3ccccc3C)CC1)C[N@H+](C)C2 ZINC000306128968 210051793 /nfs/dbraw/zinc/05/17/93/210051793.db2.gz HPSUXTHDRRZLGP-UHFFFAOYSA-N 1 2 353.470 1.901 40 0 FDABLO Cc1nnc2n1C1(CCN(C(=O)Cc3ccccc3C)CC1)C[N@@H+](C)C2 ZINC000306128968 210051796 /nfs/dbraw/zinc/05/17/96/210051796.db2.gz HPSUXTHDRRZLGP-UHFFFAOYSA-N 1 2 353.470 1.901 40 0 FDABLO O=C(C[N@H+]1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1)N1CCCC1 ZINC000306131040 210050762 /nfs/dbraw/zinc/05/07/62/210050762.db2.gz JVFVDIPXSSQZLS-INIZCTEOSA-N 1 2 369.473 1.230 40 0 FDABLO O=C(C[N@@H+]1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1)N1CCCC1 ZINC000306131040 210050766 /nfs/dbraw/zinc/05/07/66/210050766.db2.gz JVFVDIPXSSQZLS-INIZCTEOSA-N 1 2 369.473 1.230 40 0 FDABLO Cc1nn2c(nnc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccc(F)cc1 ZINC000013639238 220080574 /nfs/dbraw/zinc/08/05/74/220080574.db2.gz NUUADLXVEGFDIE-UHFFFAOYSA-N 1 2 368.416 1.935 40 0 FDABLO O=C1C[C@H]([NH+]2CCC3(CC2)OCCO3)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020634504 211291181 /nfs/dbraw/zinc/29/11/81/211291181.db2.gz GVRJPRSERGEGMA-AWEZNQCLSA-N 1 2 368.792 1.950 40 0 FDABLO C[N@@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)COc1ccc(F)cc1)CC2 ZINC000019706510 211247977 /nfs/dbraw/zinc/24/79/77/211247977.db2.gz ZCWDSKTUODMKSO-INIZCTEOSA-N 1 2 373.432 1.648 40 0 FDABLO C[N@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)COc1ccc(F)cc1)CC2 ZINC000019706510 211247981 /nfs/dbraw/zinc/24/79/81/211247981.db2.gz ZCWDSKTUODMKSO-INIZCTEOSA-N 1 2 373.432 1.648 40 0 FDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)cc1OC ZINC000019561162 211233659 /nfs/dbraw/zinc/23/36/59/211233659.db2.gz AKKSVKPEMLVLRT-UHFFFAOYSA-N 1 2 370.453 1.946 40 0 FDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)cc1OC ZINC000019561162 211233664 /nfs/dbraw/zinc/23/36/64/211233664.db2.gz AKKSVKPEMLVLRT-UHFFFAOYSA-N 1 2 370.453 1.946 40 0 FDABLO O=C(COc1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000019401794 211221375 /nfs/dbraw/zinc/22/13/75/211221375.db2.gz RGZUVVUWGQHLDM-UHFFFAOYSA-N 1 2 355.394 1.534 40 0 FDABLO Cc1nn([C@@H](C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1Br ZINC000022276787 220381315 /nfs/dbraw/zinc/38/13/15/220381315.db2.gz CISMAEPXBRHKCE-JQWIXIFHSA-N 1 2 359.268 1.352 40 0 FDABLO O=C1CO[C@]2(CN1c1ccccn1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096051370 132217760 /nfs/dbraw/zinc/21/77/60/132217760.db2.gz FYHFGQFYTXAONJ-LJQANCHMSA-N 1 2 354.410 1.111 40 0 FDABLO O=C1CO[C@]2(CN1c1ccccn1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096051370 132217761 /nfs/dbraw/zinc/21/77/61/132217761.db2.gz FYHFGQFYTXAONJ-LJQANCHMSA-N 1 2 354.410 1.111 40 0 FDABLO O=C(Cc1ccccn1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC000096159004 132221251 /nfs/dbraw/zinc/22/12/51/132221251.db2.gz KXBWPSDBIZALKW-UHFFFAOYSA-N 1 2 352.438 1.917 40 0 FDABLO O=C1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(O)cc1 ZINC000101163478 132233803 /nfs/dbraw/zinc/23/38/03/132233803.db2.gz QLHIRBLHHAYYDY-SFHVURJKSA-N 1 2 369.396 1.985 40 0 FDABLO Cn1ccnc1C[NH+]1CCC2(CN(S(C)(=O)=O)c3ccccc32)CC1 ZINC000096078871 222014841 /nfs/dbraw/zinc/01/48/41/222014841.db2.gz ADVZGNNRAJSUNL-UHFFFAOYSA-N 1 2 360.483 1.734 40 0 FDABLO Cc1ccc(NC[C@H]2CO[C@]3(C2)COCC[N@@H+](Cc2nccn2C)C3)nn1 ZINC000096240547 222094736 /nfs/dbraw/zinc/09/47/36/222094736.db2.gz MBWJGWXWYYFDAS-LPHOPBHVSA-N 1 2 372.473 1.238 40 0 FDABLO Cc1ccc(NC[C@H]2CO[C@]3(C2)COCC[N@H+](Cc2nccn2C)C3)nn1 ZINC000096240547 222094739 /nfs/dbraw/zinc/09/47/39/222094739.db2.gz MBWJGWXWYYFDAS-LPHOPBHVSA-N 1 2 372.473 1.238 40 0 FDABLO Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(Cc2[nH+]ccn2C)C3)nn1 ZINC000096240547 222094741 /nfs/dbraw/zinc/09/47/41/222094741.db2.gz MBWJGWXWYYFDAS-LPHOPBHVSA-N 1 2 372.473 1.238 40 0 FDABLO CN(C)c1nc(-c2cnn(C)c2)nc2c1CN(Cc1[nH+]ccn1C)CC2 ZINC000096254063 222101145 /nfs/dbraw/zinc/10/11/45/222101145.db2.gz GVRRCVBVJUHQIH-UHFFFAOYSA-N 1 2 352.446 1.235 40 0 FDABLO CC(C)Nc1nc(N2CCCC2)[nH+]c2c1CCN(S(C)(=O)=O)CC2 ZINC000096254635 222101956 /nfs/dbraw/zinc/10/19/56/222101956.db2.gz IAICZBKYPQEKFF-UHFFFAOYSA-N 1 2 353.492 1.257 40 0 FDABLO Cn1nccc1-c1cnc2n1CCNC21CC[NH+](Cc2nccs2)CC1 ZINC000096145045 222046891 /nfs/dbraw/zinc/04/68/91/222046891.db2.gz KSOVCMRKYAASQV-UHFFFAOYSA-N 1 2 369.498 1.835 40 0 FDABLO Cc1cnc(C(=O)N2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cn1 ZINC000096158822 222058525 /nfs/dbraw/zinc/05/85/25/222058525.db2.gz LCRKXCWFMZUBQE-UHFFFAOYSA-N 1 2 356.426 1.885 40 0 FDABLO Cc1cnc(C(=O)N2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cn1 ZINC000096158822 222058529 /nfs/dbraw/zinc/05/85/29/222058529.db2.gz LCRKXCWFMZUBQE-UHFFFAOYSA-N 1 2 356.426 1.885 40 0 FDABLO CCS(=O)(=O)N1Cc2[nH+]cn(C)c2[C@@H](COCC2CCOCC2)C1 ZINC000097953879 222217624 /nfs/dbraw/zinc/21/76/24/222217624.db2.gz LMMIQLUVEPPHSF-CQSZACIVSA-N 1 2 357.476 1.112 40 0 FDABLO CCCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000100420311 222243223 /nfs/dbraw/zinc/24/32/23/222243223.db2.gz KNQLHHBPRIXNKV-KSVNGYGVSA-N 1 2 374.437 1.760 40 0 FDABLO CCOc1ccccc1N1C(=O)C[C@H]([NH+]2CCC3(CC2)OCCO3)C1=O ZINC000104278588 222353485 /nfs/dbraw/zinc/35/34/85/222353485.db2.gz LUOXKFDDCSIAJQ-HNNXBMFYSA-N 1 2 360.410 1.556 40 0 FDABLO CC(C)N1C[C@]2(CO[C@H](C(=O)NCC[NH+]3CCOCC3)C2)c2ccccc21 ZINC000107182078 222389367 /nfs/dbraw/zinc/38/93/67/222389367.db2.gz PMWOXOJZCLLLLO-PZJWPPBQSA-N 1 2 373.497 1.390 40 0 FDABLO Cc1ccccc1OCc1nnc(SCC(=O)N2CC[NH+](C)CC2)o1 ZINC000008571624 518480312 /nfs/dbraw/zinc/48/03/12/518480312.db2.gz WNCMLUSGHLLPFF-UHFFFAOYSA-N 1 2 362.455 1.823 40 0 FDABLO O=C(CCCn1cc[nH+]c1)N1CCc2nc3ccsc3c(=O)n2CC1 ZINC000012221954 518598493 /nfs/dbraw/zinc/59/84/93/518598493.db2.gz GTTLZCRSPCPIAJ-UHFFFAOYSA-N 1 2 357.439 1.520 40 0 FDABLO CC(=O)N[C@]12CN(C(C)=O)C[C@H]1CC[N@@H+](Cc1nc3ccccc3n1C)C2 ZINC000019713669 518830852 /nfs/dbraw/zinc/83/08/52/518830852.db2.gz FUUIZWYIRAAPRL-OXQOHEQNSA-N 1 2 369.469 1.132 40 0 FDABLO CC(=O)N[C@]12CN(C(C)=O)C[C@H]1CC[N@H+](Cc1nc3ccccc3n1C)C2 ZINC000019713669 518830856 /nfs/dbraw/zinc/83/08/56/518830856.db2.gz FUUIZWYIRAAPRL-OXQOHEQNSA-N 1 2 369.469 1.132 40 0 FDABLO COc1cc([C@@]2(C)OC[C@@H](C[NH+]3CCOCC3)O2)cc(OC)c1OC ZINC000033852241 519590698 /nfs/dbraw/zinc/59/06/98/519590698.db2.gz ZIOBPMQEBOCFLH-KDOFPFPSSA-N 1 2 353.415 1.633 40 0 in-man FDABLO COc1cc([C@]2(C)OC[C@@H](C[NH+]3CCOCC3)O2)cc(OC)c1OC ZINC000033852242 519590827 /nfs/dbraw/zinc/59/08/27/519590827.db2.gz ZIOBPMQEBOCFLH-RDTXWAMCSA-N 1 2 353.415 1.633 40 0 in-man FDABLO CCc1nccn1-c1cncc([C@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)n1 ZINC000072378729 522229409 /nfs/dbraw/zinc/22/94/09/522229409.db2.gz QXIUACGNLYDOHC-MRXNPFEDSA-N 1 2 370.457 1.220 40 0 FDABLO CCc1nccn1-c1cncc([C@H]2CCC[N@H+]2CC(=O)N2CCOCC2)n1 ZINC000072378729 522229418 /nfs/dbraw/zinc/22/94/18/522229418.db2.gz QXIUACGNLYDOHC-MRXNPFEDSA-N 1 2 370.457 1.220 40 0 FDABLO CCc1nnc(Nc2cc(C)nc([C@@H]3CCN(C(=O)C[NH2+]C)C3)n2)s1 ZINC000072383034 522232286 /nfs/dbraw/zinc/23/22/86/522232286.db2.gz FMGQTEHNEQGNLI-LLVKDONJSA-N 1 2 361.475 1.478 40 0 FDABLO CC(=O)NCc1ccnc([C@@H]2CN(Cc3[nH+]ccn3C(C)C)CCO2)n1 ZINC000257243520 526815891 /nfs/dbraw/zinc/81/58/91/526815891.db2.gz IHJIDBQGZGMPBB-INIZCTEOSA-N 1 2 358.446 1.464 40 0 FDABLO CCN1C(=O)CC[C@@H](C(=O)NCC[NH+]2CCOCC2)[C@@H]1c1ccccc1C ZINC000257255465 528947987 /nfs/dbraw/zinc/94/79/87/528947987.db2.gz KHORCSRCNFZZLA-QUCCMNQESA-N 1 2 373.497 1.743 40 0 FDABLO COCC(=O)NC[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000247824478 537153077 /nfs/dbraw/zinc/15/30/77/537153077.db2.gz IZJMCEGIUSRMOL-INIZCTEOSA-N 1 2 353.426 1.684 40 0 FDABLO COCC(=O)NC[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000247824478 537153080 /nfs/dbraw/zinc/15/30/80/537153080.db2.gz IZJMCEGIUSRMOL-INIZCTEOSA-N 1 2 353.426 1.684 40 0 FDABLO O=C([C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21)N1CCOCC1 ZINC000247840436 537153109 /nfs/dbraw/zinc/15/31/09/537153109.db2.gz FGEASTXKDKXFGM-INIZCTEOSA-N 1 2 370.409 1.028 40 0 FDABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccc[nH]2)N1CC[NH+]1CCOCC1 ZINC000223126686 537518604 /nfs/dbraw/zinc/51/86/04/537518604.db2.gz ZZQKIMIVRWNTQJ-SJORKVTESA-N 1 2 357.483 1.714 40 0 FDABLO Cc1cc(C[N@H+]2CCn3c(COc4ccccn4)nnc3C[C@@H]2C)no1 ZINC000585098524 551570217 /nfs/dbraw/zinc/57/02/17/551570217.db2.gz UMZISYFEQKJMPI-ZDUSSCGKSA-N 1 2 354.414 1.995 40 0 FDABLO Cc1cc(C[N@@H+]2CCn3c(COc4ccccn4)nnc3C[C@@H]2C)no1 ZINC000585098524 551570220 /nfs/dbraw/zinc/57/02/20/551570220.db2.gz UMZISYFEQKJMPI-ZDUSSCGKSA-N 1 2 354.414 1.995 40 0 FDABLO CCS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccccc3OC)C2)OC1 ZINC000585105562 551572727 /nfs/dbraw/zinc/57/27/27/551572727.db2.gz ZZEJOIQYHGZNBT-HNNXBMFYSA-N 1 2 368.499 1.616 40 0 FDABLO CCNC(=O)c1cc(S(=O)(=O)NCCCn2cc[nH+]c2)ccc1C ZINC000408619638 570591204 /nfs/dbraw/zinc/59/12/04/570591204.db2.gz HZWDOWZIWLUVKS-UHFFFAOYSA-N 1 2 350.444 1.310 40 0 FDABLO CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000408630424 570596764 /nfs/dbraw/zinc/59/67/64/570596764.db2.gz UKCHQTWMRQTISE-UHFFFAOYSA-N 1 2 370.862 1.509 40 0 FDABLO CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1ccccc1O ZINC000409412300 570757982 /nfs/dbraw/zinc/75/79/82/570757982.db2.gz GZHGCMHYYWPERP-UHFFFAOYSA-N 1 2 361.471 1.537 40 0 FDABLO CN1CC[NH+](Cc2ccc([Si](C)(C)c3ccccc3CO)cc2)CC1 ZINC000169975437 570802501 /nfs/dbraw/zinc/80/25/01/570802501.db2.gz VKFKDNSPNJHOBZ-UHFFFAOYSA-N 1 2 354.570 1.749 40 0 FDABLO CCOC[C@@H]1CC[N@H+](C)C2(CN(S(=O)(=O)c3c(C)nn(C)c3C)C2)C1 ZINC000253387176 571135537 /nfs/dbraw/zinc/13/55/37/571135537.db2.gz ZMLZSRCDUXQEJJ-OAHLLOKOSA-N 1 2 370.519 1.158 40 0 FDABLO CCOC[C@@H]1CC[N@@H+](C)C2(CN(S(=O)(=O)c3c(C)nn(C)c3C)C2)C1 ZINC000253387176 571135540 /nfs/dbraw/zinc/13/55/40/571135540.db2.gz ZMLZSRCDUXQEJJ-OAHLLOKOSA-N 1 2 370.519 1.158 40 0 FDABLO C/C=C1/C[N@H+]2CC[C@@]34c5ccccc5N[C@@]23[C@@H](O)C[C@@H]1[C@]4(CO)C(=O)OC ZINC000232322321 781298776 /nfs/dbraw/zinc/29/87/76/781298776.db2.gz VZZBVNLFHYEUHM-OAYYXMERSA-N 1 2 370.449 1.244 40 0 FDABLO C/C=C1/C[N@@H+]2CC[C@@]34c5ccccc5N[C@@]23[C@@H](O)C[C@@H]1[C@]4(CO)C(=O)OC ZINC000232322321 781298783 /nfs/dbraw/zinc/29/87/83/781298783.db2.gz VZZBVNLFHYEUHM-OAYYXMERSA-N 1 2 370.449 1.244 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)CC[N@@H+]1C(C)C ZINC000257288247 529907477 /nfs/dbraw/zinc/90/74/77/529907477.db2.gz PTMOSZGHKZTJFG-SFHVURJKSA-N 1 2 373.497 1.402 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)CC[N@H+]1C(C)C ZINC000257288247 529907479 /nfs/dbraw/zinc/90/74/79/529907479.db2.gz PTMOSZGHKZTJFG-SFHVURJKSA-N 1 2 373.497 1.402 40 0 FDABLO COc1ccccc1CNc1cc(-c2ccncc2)[nH+]c(NCCO)n1 ZINC000328958930 210127261 /nfs/dbraw/zinc/12/72/61/210127261.db2.gz AQQXAMODVANAGZ-UHFFFAOYSA-N 1 2 351.410 1.407 40 0 FDABLO CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCNC(=O)N2CCCC2)nc[nH+]1 ZINC000306130977 210051059 /nfs/dbraw/zinc/05/10/59/210051059.db2.gz JTWKTPGDSRICGK-HNNXBMFYSA-N 1 2 374.489 1.333 40 0 FDABLO CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCNC(=O)N2CCCC2)[nH+]cn1 ZINC000306130977 210051063 /nfs/dbraw/zinc/05/10/63/210051063.db2.gz JTWKTPGDSRICGK-HNNXBMFYSA-N 1 2 374.489 1.333 40 0 FDABLO O=C(c1cscn1)N1Cc2c[nH+]cn2[C@H](COCC2CCOCC2)C1 ZINC000306132745 210054230 /nfs/dbraw/zinc/05/42/30/210054230.db2.gz LQWHJOSEBVUZDD-HNNXBMFYSA-N 1 2 362.455 1.980 40 0 FDABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](C(=O)N3CC(F)(F)C3)C2)no1 ZINC000306126268 210048326 /nfs/dbraw/zinc/04/83/26/210048326.db2.gz DRDFREYXRAOIKN-ZDUSSCGKSA-N 1 2 350.369 1.894 40 0 FDABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](C(=O)N3CC(F)(F)C3)C2)no1 ZINC000306126268 210048328 /nfs/dbraw/zinc/04/83/28/210048328.db2.gz DRDFREYXRAOIKN-ZDUSSCGKSA-N 1 2 350.369 1.894 40 0 FDABLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O ZINC000257203550 223016792 /nfs/dbraw/zinc/01/67/92/223016792.db2.gz AQOYYJSKAILLDC-GUDVDZBRSA-N 1 2 365.437 1.965 40 0 FDABLO CN(C(=O)c1cccc(Cn2ccnc2)c1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257203550 223016797 /nfs/dbraw/zinc/01/67/97/223016797.db2.gz AQOYYJSKAILLDC-GUDVDZBRSA-N 1 2 365.437 1.965 40 0 FDABLO CNc1nc([C@H]2CCCN(C(=O)c3ccccn3)C2)nc2c1C[N@H+](C)CC2 ZINC000019711519 211248028 /nfs/dbraw/zinc/24/80/28/211248028.db2.gz JTTJYSMZNTYYFK-AWEZNQCLSA-N 1 2 366.469 1.921 40 0 FDABLO CNc1nc([C@H]2CCCN(C(=O)c3ccccn3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019711519 211248030 /nfs/dbraw/zinc/24/80/30/211248030.db2.gz JTTJYSMZNTYYFK-AWEZNQCLSA-N 1 2 366.469 1.921 40 0 FDABLO COc1cccc(CC(=O)N2CCC[C@@H](c3nnc4n3CC[NH2+]C4)C2)c1 ZINC000019710964 211246994 /nfs/dbraw/zinc/24/69/94/211246994.db2.gz PTJDAVQHWZJNJH-OAHLLOKOSA-N 1 2 355.442 1.339 40 0 FDABLO Cc1nc2cc(-c3ccco3)nn2c(NC[C@H](O)C[NH+]2CCOCC2)c1C ZINC000019555722 211231072 /nfs/dbraw/zinc/23/10/72/211231072.db2.gz OKPCIOHTZGPRLZ-HNNXBMFYSA-N 1 2 371.441 1.711 40 0 FDABLO CCN(CC(=O)NCCCn1cc[nH+]c1)S(=O)(=O)c1ccc(F)cc1 ZINC000016678168 211165969 /nfs/dbraw/zinc/16/59/69/211165969.db2.gz XJMZHBUDJAXDJM-UHFFFAOYSA-N 1 2 368.434 1.239 40 0 FDABLO Cc1noc(C)c1C(=O)N(C)C[C@@]1(O)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257289738 132296305 /nfs/dbraw/zinc/29/63/05/132296305.db2.gz PZZHPHJRLKGRPE-SFHVURJKSA-N 1 2 359.430 1.493 40 0 FDABLO O=C(c1cnccn1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000096061698 222009546 /nfs/dbraw/zinc/00/95/46/222009546.db2.gz KSHPLHIDYXSYHD-MOPGFXCFSA-N 1 2 352.438 1.635 40 0 FDABLO Cc1nc(C[N@H+]2CCOC[C@]3(CCN(Cc4nccn4C)C3)C2)cs1 ZINC000096062354 222009628 /nfs/dbraw/zinc/00/96/28/222009628.db2.gz QTKLHQANQRTMRF-SFHVURJKSA-N 1 2 361.515 1.910 40 0 FDABLO Cc1nc(C[N@@H+]2CCOC[C@]3(CCN(Cc4nccn4C)C3)C2)cs1 ZINC000096062354 222009630 /nfs/dbraw/zinc/00/96/30/222009630.db2.gz QTKLHQANQRTMRF-SFHVURJKSA-N 1 2 361.515 1.910 40 0 FDABLO O=c1cc(Cn2cncn2)nc2n1CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096086882 222018138 /nfs/dbraw/zinc/01/81/38/222018138.db2.gz HJMAGUNRBWWYLD-UHFFFAOYSA-N 1 2 354.389 1.428 40 0 FDABLO O=c1cc(Cn2cncn2)nc2n1CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096086882 222018141 /nfs/dbraw/zinc/01/81/41/222018141.db2.gz HJMAGUNRBWWYLD-UHFFFAOYSA-N 1 2 354.389 1.428 40 0 FDABLO Cn1c[nH+]c2c1[C@H](C(=O)NCc1cccnc1)N(Cc1cccnc1)CC2 ZINC000096264947 222105460 /nfs/dbraw/zinc/10/54/60/222105460.db2.gz XOMBMOLHDRTEON-LJQANCHMSA-N 1 2 362.437 1.626 40 0 FDABLO O=C(c1cccnc1)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC000096230222 222091498 /nfs/dbraw/zinc/09/14/98/222091498.db2.gz XFFSCUKLUXRNEG-UHFFFAOYSA-N 1 2 364.449 1.688 40 0 FDABLO O=C(c1cccnc1)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC000096230222 222091500 /nfs/dbraw/zinc/09/15/00/222091500.db2.gz XFFSCUKLUXRNEG-UHFFFAOYSA-N 1 2 364.449 1.688 40 0 FDABLO COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)cc(OC)c1 ZINC000257252905 533826578 /nfs/dbraw/zinc/82/65/78/533826578.db2.gz JWPULPNDLHRPCQ-QZTJIDSGSA-N 1 2 357.410 1.074 40 0 FDABLO COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)cc(OC)c1 ZINC000257252905 533826583 /nfs/dbraw/zinc/82/65/83/533826583.db2.gz JWPULPNDLHRPCQ-QZTJIDSGSA-N 1 2 357.410 1.074 40 0 FDABLO Cc1cc(C)n2ncc(C[N@@H+]3CCO[C@H](CCc4ccncn4)C3)c2n1 ZINC000257225327 534130181 /nfs/dbraw/zinc/13/01/81/534130181.db2.gz FFSXNINETBJZKK-GOSISDBHSA-N 1 2 352.442 1.970 40 0 FDABLO Cc1cc(C)n2ncc(C[N@H+]3CCO[C@H](CCc4ccncn4)C3)c2n1 ZINC000257225327 534130188 /nfs/dbraw/zinc/13/01/88/534130188.db2.gz FFSXNINETBJZKK-GOSISDBHSA-N 1 2 352.442 1.970 40 0 FDABLO O=C(NCCCn1cc[nH+]c1)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000005345143 518341206 /nfs/dbraw/zinc/34/12/06/518341206.db2.gz HBSSEFJPFWKDJO-UHFFFAOYSA-N 1 2 362.455 1.633 40 0 FDABLO Cc1csc2c1nc1n(c2=O)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000012221613 518596415 /nfs/dbraw/zinc/59/64/15/518596415.db2.gz VJKIANGSVNJMBQ-UHFFFAOYSA-N 1 2 357.439 1.438 40 0 FDABLO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCC[N@H+](CC(N)=O)C3)n2)n1 ZINC000072360948 522226153 /nfs/dbraw/zinc/22/61/53/522226153.db2.gz LCSGCVSWKALHIP-CQSZACIVSA-N 1 2 355.446 1.600 40 0 FDABLO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCC[N@@H+](CC(N)=O)C3)n2)n1 ZINC000072360948 522226159 /nfs/dbraw/zinc/22/61/59/522226159.db2.gz LCSGCVSWKALHIP-CQSZACIVSA-N 1 2 355.446 1.600 40 0 FDABLO Cc1c[nH+]c(N)c(C(=O)C2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)c1 ZINC000072373406 522226678 /nfs/dbraw/zinc/22/66/78/522226678.db2.gz DIAGCWRDCBLYKR-UHFFFAOYSA-N 1 2 354.410 1.406 40 0 FDABLO CCN1C[C@]2(CC1=O)CN(C(=O)C(C)C)CC[N@H+](Cc1nccs1)C2 ZINC000096036172 525123471 /nfs/dbraw/zinc/12/34/71/525123471.db2.gz NSOIOMVQQMHXMC-GOSISDBHSA-N 1 2 364.515 1.682 40 0 FDABLO CCN1C[C@]2(CC1=O)CN(C(=O)C(C)C)CC[N@@H+](Cc1nccs1)C2 ZINC000096036172 525123479 /nfs/dbraw/zinc/12/34/79/525123479.db2.gz NSOIOMVQQMHXMC-GOSISDBHSA-N 1 2 364.515 1.682 40 0 FDABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000257221955 534853472 /nfs/dbraw/zinc/85/34/72/534853472.db2.gz DRHDAZZFQFDEOL-INIZCTEOSA-N 1 2 369.469 1.965 40 0 FDABLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000257221955 534853475 /nfs/dbraw/zinc/85/34/75/534853475.db2.gz DRHDAZZFQFDEOL-INIZCTEOSA-N 1 2 369.469 1.965 40 0 FDABLO CC(C)c1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCOCC3)CC2)n[nH]1 ZINC000257307767 528019645 /nfs/dbraw/zinc/01/96/45/528019645.db2.gz TUASIZUESNGSIF-GOSISDBHSA-N 1 2 350.463 1.223 40 0 FDABLO COc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3COCC(=O)N2CCCC2)c1 ZINC000247865288 537154385 /nfs/dbraw/zinc/15/43/85/537154385.db2.gz ARNMWWBBDMZZLX-GOSISDBHSA-N 1 2 374.481 1.925 40 0 FDABLO CC(C)NC(=O)N1CCC(O)(c2csc(C[N@@H+]3CC[C@@H](O)C3)n2)CC1 ZINC000225465713 537549665 /nfs/dbraw/zinc/54/96/65/537549665.db2.gz NDVREQWYTVGHQC-CYBMUJFWSA-N 1 2 368.503 1.111 40 0 biogenic,in-vitro FDABLO CC(C)NC(=O)N1CCC(O)(c2csc(C[N@H+]3CC[C@@H](O)C3)n2)CC1 ZINC000225465713 537549670 /nfs/dbraw/zinc/54/96/70/537549670.db2.gz NDVREQWYTVGHQC-CYBMUJFWSA-N 1 2 368.503 1.111 40 0 biogenic,in-vitro FDABLO Cc1ccc(CN(CC(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)cc1 ZINC000225652449 537555387 /nfs/dbraw/zinc/55/53/87/537555387.db2.gz IEHMESZLBAYKJE-UHFFFAOYSA-N 1 2 364.471 1.160 40 0 FDABLO Cn1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COCc2cccnc2)cn1 ZINC000585094982 551568440 /nfs/dbraw/zinc/56/84/40/551568440.db2.gz YEURVAPSVFCUMS-QGZVFWFLSA-N 1 2 352.442 1.692 40 0 FDABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3CCNS(=O)(=O)C2CC2)n1 ZINC000585102682 551571528 /nfs/dbraw/zinc/57/15/28/551571528.db2.gz FVHGXYWVEFJQCV-HNNXBMFYSA-N 1 2 365.499 1.453 40 0 FDABLO O=C(CCCn1cc[nH+]c1)N1CCOC[C@](O)(COc2ccccc2)C1 ZINC000585271978 551576609 /nfs/dbraw/zinc/57/66/09/551576609.db2.gz JHVUNCGYFJGMMV-IBGZPJMESA-N 1 2 359.426 1.332 40 0 FDABLO Cc1ccc(C[C@@]2(CO)CN(C(=O)CCCn3cc[nH+]c3)CCO2)cc1 ZINC000585278113 551577810 /nfs/dbraw/zinc/57/78/10/551577810.db2.gz QQSTXPXHNWWWSN-FQEVSTJZSA-N 1 2 357.454 1.804 40 0 FDABLO CC(=O)N1CC2(CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)C[C@H](O)C1(C)C ZINC000585290995 551580508 /nfs/dbraw/zinc/58/05/08/551580508.db2.gz KBOXCGMHFCLRKP-APHBUQMISA-N 1 2 360.458 1.423 40 0 FDABLO CC(C)[C@@H](CO)Nc1nc(NC[C@H]2CCCO2)cc(-c2cccnc2)[nH+]1 ZINC000329045535 571129775 /nfs/dbraw/zinc/12/97/75/571129775.db2.gz TWHPDWFTHAAKPP-NVXWUHKLSA-N 1 2 357.458 2.558 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3sccc3C)C2)C[N@@H+]1CC1CC1 ZINC000253598321 571138842 /nfs/dbraw/zinc/13/88/42/571138842.db2.gz IAUNCTGDGQUFCT-CQSZACIVSA-N 1 2 363.483 1.108 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3sccc3C)C2)C[N@H+]1CC1CC1 ZINC000253598321 571138843 /nfs/dbraw/zinc/13/88/43/571138843.db2.gz IAUNCTGDGQUFCT-CQSZACIVSA-N 1 2 363.483 1.108 40 0 FDABLO Cn1nccc1C(=O)N1Cc2c[nH+]cn2[C@H](COCc2ccccn2)C1 ZINC000306122994 571212797 /nfs/dbraw/zinc/21/27/97/571212797.db2.gz ABTBZQIGPRLJNH-INIZCTEOSA-N 1 2 352.398 1.426 40 0 FDABLO C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N[C@@H]1[C@@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000257367411 571218101 /nfs/dbraw/zinc/21/81/01/571218101.db2.gz LKMOLOHEROWXEQ-ORZNMBHWSA-N 1 2 355.482 1.895 40 0 FDABLO C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N[C@@H]1[C@@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000257367411 571218103 /nfs/dbraw/zinc/21/81/03/571218103.db2.gz LKMOLOHEROWXEQ-ORZNMBHWSA-N 1 2 355.482 1.895 40 0 FDABLO COCCN1CC[C@@]2(C[N@H+](Cc3cnn(C)c3C)CC(F)(F)C2)C1=O ZINC000585093404 571219546 /nfs/dbraw/zinc/21/95/46/571219546.db2.gz UVPZSWIXTZIIBH-MRXNPFEDSA-N 1 2 356.417 1.435 40 0 FDABLO COCCN1CC[C@@]2(C[N@@H+](Cc3cnn(C)c3C)CC(F)(F)C2)C1=O ZINC000585093404 571219550 /nfs/dbraw/zinc/21/95/50/571219550.db2.gz UVPZSWIXTZIIBH-MRXNPFEDSA-N 1 2 356.417 1.435 40 0 FDABLO COC(=O)[C@]1(C(C)C)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000231642814 210180355 /nfs/dbraw/zinc/18/03/55/210180355.db2.gz LPXSMCWEPXOGPJ-UHQDVWGKSA-N 1 2 364.829 1.783 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)CCn2ncc3ccccc32)CC[N@@H+]1C(C)C ZINC000257312996 529926847 /nfs/dbraw/zinc/92/68/47/529926847.db2.gz UQOLHTGCCOZIPX-QGZVFWFLSA-N 1 2 357.458 1.094 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)CCn2ncc3ccccc32)CC[N@H+]1C(C)C ZINC000257312996 529926848 /nfs/dbraw/zinc/92/68/48/529926848.db2.gz UQOLHTGCCOZIPX-QGZVFWFLSA-N 1 2 357.458 1.094 40 0 FDABLO CN(C[C@@]1(O)CCN(c2cccc[nH+]2)C1)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000257296030 529958344 /nfs/dbraw/zinc/95/83/44/529958344.db2.gz RAXAXMCMXMOVTD-IBGZPJMESA-N 1 2 357.458 1.816 40 0 FDABLO CN(C)C(=O)NC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21 ZINC000306142627 210057947 /nfs/dbraw/zinc/05/79/47/210057947.db2.gz XEZUEEDGWJTAQD-HNNXBMFYSA-N 1 2 357.414 1.440 40 0 FDABLO COCC(=O)NCC[C@H]1Cn2nccc2C[N@H+](Cc2c(C)noc2C)C1 ZINC000306145004 210060427 /nfs/dbraw/zinc/06/04/27/210060427.db2.gz ZUNJXQBBSPBCHW-OAHLLOKOSA-N 1 2 361.446 1.273 40 0 FDABLO COCC(=O)NCC[C@H]1Cn2nccc2C[N@@H+](Cc2c(C)noc2C)C1 ZINC000306145004 210060431 /nfs/dbraw/zinc/06/04/31/210060431.db2.gz ZUNJXQBBSPBCHW-OAHLLOKOSA-N 1 2 361.446 1.273 40 0 FDABLO CS(=O)(=O)NC[C@@H]1CN(Cc2cccc3[nH]ccc32)Cc2c[nH+]cn21 ZINC000306129880 210050586 /nfs/dbraw/zinc/05/05/86/210050586.db2.gz IPNPLEUKSVEYII-OAHLLOKOSA-N 1 2 359.455 1.471 40 0 FDABLO Nc1cc(-c2cncnc2[C@@H]2CCN(S(=O)(=O)N3CCCC3)C2)cc[nH+]1 ZINC000257234016 223031173 /nfs/dbraw/zinc/03/11/73/223031173.db2.gz GRTCJTLTVDVWED-CQSZACIVSA-N 1 2 374.470 1.251 40 0 FDABLO CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3[nH+]c(C)cn3C)C2)c1C ZINC000257265768 223043188 /nfs/dbraw/zinc/04/31/88/223043188.db2.gz MAELSXVIQJBDJR-CQSZACIVSA-N 1 2 351.476 1.822 40 0 FDABLO COCCn1cc(C(=O)N2CC[N@H+](C(C)C)[C@@H](C(N)=O)C2)c2ccccc21 ZINC000257325106 223065810 /nfs/dbraw/zinc/06/58/10/223065810.db2.gz WRMQTIFGFFIUST-GOSISDBHSA-N 1 2 372.469 1.308 40 0 FDABLO COCCn1cc(C(=O)N2CC[N@@H+](C(C)C)[C@@H](C(N)=O)C2)c2ccccc21 ZINC000257325106 223065813 /nfs/dbraw/zinc/06/58/13/223065813.db2.gz WRMQTIFGFFIUST-GOSISDBHSA-N 1 2 372.469 1.308 40 0 FDABLO O=C(Nc1ccc2c(c1)OCO2)[C@H]1C=C(O)NC(Nc2ccccc2)=[NH+]1 ZINC000014607020 220126925 /nfs/dbraw/zinc/12/69/25/220126925.db2.gz RTHUDRGPYQYSLI-CYBMUJFWSA-N 1 2 352.350 1.710 40 0 FDABLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H](C)c1cn(C)nc1C)CC2 ZINC000019583656 211237605 /nfs/dbraw/zinc/23/76/05/211237605.db2.gz WYSPOIWZVJWVGY-ZDUSSCGKSA-N 1 2 372.469 1.981 40 0 FDABLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H](C)c1cn(C)nc1C)CC2 ZINC000019583656 211237609 /nfs/dbraw/zinc/23/76/09/211237609.db2.gz WYSPOIWZVJWVGY-ZDUSSCGKSA-N 1 2 372.469 1.981 40 0 FDABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 ZINC000019403582 211221052 /nfs/dbraw/zinc/22/10/52/211221052.db2.gz UEHGORIKQDVBSM-OAHLLOKOSA-N 1 2 355.442 1.572 40 0 FDABLO O=C(C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)NCc1cccs1 ZINC000019343724 211216600 /nfs/dbraw/zinc/21/66/00/211216600.db2.gz OHJPMXNDKBVGRD-UHFFFAOYSA-N 1 2 373.482 1.106 40 0 FDABLO O=C(C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)NCc1cccs1 ZINC000019343724 211216605 /nfs/dbraw/zinc/21/66/05/211216605.db2.gz OHJPMXNDKBVGRD-UHFFFAOYSA-N 1 2 373.482 1.106 40 0 FDABLO O=C(CCCc1ccncc1)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257243869 132295600 /nfs/dbraw/zinc/29/56/00/132295600.db2.gz IIXQRZCFBUSYTN-FQEVSTJZSA-N 1 2 354.454 1.947 40 0 FDABLO COc1cccc(N2CC[NH+](Cc3ccnc(N4CCOCC4)n3)CC2)c1 ZINC000019565860 132889423 /nfs/dbraw/zinc/88/94/23/132889423.db2.gz FHJQPLNYHDOMMA-UHFFFAOYSA-N 1 2 369.469 1.644 40 0 FDABLO Cc1ccc(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)o1 ZINC000072335565 136144379 /nfs/dbraw/zinc/14/43/79/136144379.db2.gz HBYWIKIMXTYUFC-ZIAGYGMSSA-N 1 2 358.442 1.843 40 0 FDABLO Cc1ccc(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)o1 ZINC000072335565 136144380 /nfs/dbraw/zinc/14/43/80/136144380.db2.gz HBYWIKIMXTYUFC-ZIAGYGMSSA-N 1 2 358.442 1.843 40 0 FDABLO Cc1nc(CN2CCOC[C@@]3(C[N@H+](Cc4cccnc4)CCO3)C2)cs1 ZINC000096049826 222001242 /nfs/dbraw/zinc/00/12/42/222001242.db2.gz GKAAAWOFPGCSAJ-LJQANCHMSA-N 1 2 374.510 1.950 40 0 FDABLO Cc1nc(CN2CCOC[C@@]3(C[N@@H+](Cc4cccnc4)CCO3)C2)cs1 ZINC000096049826 222001247 /nfs/dbraw/zinc/00/12/47/222001247.db2.gz GKAAAWOFPGCSAJ-LJQANCHMSA-N 1 2 374.510 1.950 40 0 FDABLO CC(C)CNC(=O)[C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096250964 222099732 /nfs/dbraw/zinc/09/97/32/222099732.db2.gz FBFWRCCPEUUODS-GVDBMIGSSA-N 1 2 365.499 1.089 40 0 FDABLO CC(C)CNC(=O)[C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096250964 222099736 /nfs/dbraw/zinc/09/97/36/222099736.db2.gz FBFWRCCPEUUODS-GVDBMIGSSA-N 1 2 365.499 1.089 40 0 FDABLO O=C(NCc1cc(=O)n2c(n1)C[N@@H+](Cc1ccccn1)CCC2)C1CC1 ZINC000096197640 222073628 /nfs/dbraw/zinc/07/36/28/222073628.db2.gz ROOYPNGLONQPJW-UHFFFAOYSA-N 1 2 353.426 1.070 40 0 FDABLO O=C(NCc1cc(=O)n2c(n1)C[N@H+](Cc1ccccn1)CCC2)C1CC1 ZINC000096197640 222073632 /nfs/dbraw/zinc/07/36/32/222073632.db2.gz ROOYPNGLONQPJW-UHFFFAOYSA-N 1 2 353.426 1.070 40 0 FDABLO Cc1ccc(=O)n(CC(=O)N2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)n1 ZINC000257316605 534253425 /nfs/dbraw/zinc/25/34/25/534253425.db2.gz VGGSPQNVAZAIFF-INIZCTEOSA-N 1 2 355.442 1.419 40 0 FDABLO Cc1cc2[nH+]c(N3CCCCC3)n([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2cc1C ZINC000004830577 518315469 /nfs/dbraw/zinc/31/54/69/518315469.db2.gz OGQTVPDRDZUIRB-XWTMOSNGSA-N 1 2 361.442 1.255 40 0 FDABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000012114435 518587576 /nfs/dbraw/zinc/58/75/76/518587576.db2.gz GCVLBSFPOKYORG-UHFFFAOYSA-N 1 2 369.421 1.775 40 0 FDABLO CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)NC(N3CCCCC3)=[NH+]2)cc1 ZINC000014162859 518679663 /nfs/dbraw/zinc/67/96/63/518679663.db2.gz REHOMSUWQHXONN-OAHLLOKOSA-N 1 2 372.425 1.532 40 0 FDABLO CC(=O)N(CC[NH+]1CCOCC1)Cc1cc2ccc(C)cc2n2nnnc12 ZINC000035315322 519603675 /nfs/dbraw/zinc/60/36/75/519603675.db2.gz BFRMFQPLLNTOGO-UHFFFAOYSA-N 1 2 368.441 1.267 40 0 FDABLO COc1cccc(OCCc2cc([C@H]3CCN(C(=O)C[NH+](C)C)C3)n[nH]2)c1 ZINC000072371613 522225591 /nfs/dbraw/zinc/22/55/91/522225591.db2.gz DVIHMNQGDLSDRD-HNNXBMFYSA-N 1 2 372.469 1.917 40 0 FDABLO CN(C)C(=O)c1ccc(C2CC[NH+](CC(=O)Nc3ccccn3)CC2)nc1 ZINC000072374401 522227551 /nfs/dbraw/zinc/22/75/51/522227551.db2.gz PTZZSHZFSHZSIZ-UHFFFAOYSA-N 1 2 367.453 1.997 40 0 FDABLO CCc1ncc(C[N@@H+]2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)cn1 ZINC000072395015 522232709 /nfs/dbraw/zinc/23/27/09/522232709.db2.gz WASUGGGVDSDLQH-UZLBHIALSA-N 1 2 350.422 1.856 40 0 FDABLO CCc1ncc(C[N@H+]2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)cn1 ZINC000072395015 522232719 /nfs/dbraw/zinc/23/27/19/522232719.db2.gz WASUGGGVDSDLQH-UZLBHIALSA-N 1 2 350.422 1.856 40 0 FDABLO CCn1c2ccc(S(=O)(=O)NCCCn3cc[nH+]c3)cc2oc1=O ZINC000019936860 523270708 /nfs/dbraw/zinc/27/07/08/523270708.db2.gz OVXBAYRVHZFANI-UHFFFAOYSA-N 1 2 350.400 1.180 40 0 FDABLO Cc1ncc(CNC(=O)c2ccc3[nH]nnc3c2)c([C@@H]2CCC[N@H+]2C)n1 ZINC000257206614 534739473 /nfs/dbraw/zinc/73/94/73/534739473.db2.gz BEEQYRVVRIHOTG-INIZCTEOSA-N 1 2 351.414 1.753 40 0 FDABLO Cc1ncc(CNC(=O)c2ccc3[nH]nnc3c2)c([C@@H]2CCC[N@@H+]2C)n1 ZINC000257206614 534739478 /nfs/dbraw/zinc/73/94/78/534739478.db2.gz BEEQYRVVRIHOTG-INIZCTEOSA-N 1 2 351.414 1.753 40 0 FDABLO CCCn1cc(Cl)c(C(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)n1 ZINC000257247851 528847936 /nfs/dbraw/zinc/84/79/36/528847936.db2.gz JAVWKVOUJQFFEM-KBPBESRZSA-N 1 2 351.838 1.981 40 0 FDABLO CCCCc1[nH]c(CN2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)c[nH+]1 ZINC000257237479 529040255 /nfs/dbraw/zinc/04/02/55/529040255.db2.gz HGQLWPBPTSDYBL-LBPRGKRZSA-N 1 2 351.476 1.868 40 0 FDABLO CCCCc1[nH]cc(CN2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)[nH+]1 ZINC000257237479 529040260 /nfs/dbraw/zinc/04/02/60/529040260.db2.gz HGQLWPBPTSDYBL-LBPRGKRZSA-N 1 2 351.476 1.868 40 0 FDABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@H](C(=O)N3CCOCC3)C2)s1 ZINC000248063165 537165152 /nfs/dbraw/zinc/16/51/52/537165152.db2.gz VDYQECOOJAPOLW-OAHLLOKOSA-N 1 2 360.483 1.748 40 0 FDABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@H](C(=O)N3CCOCC3)C2)s1 ZINC000248063165 537165154 /nfs/dbraw/zinc/16/51/54/537165154.db2.gz VDYQECOOJAPOLW-OAHLLOKOSA-N 1 2 360.483 1.748 40 0 FDABLO Cc1ccc(CN2Cc3c[nH+]cn3[C@@H](CCNS(C)(=O)=O)C2)s1 ZINC000248088979 537166285 /nfs/dbraw/zinc/16/62/85/537166285.db2.gz KZGGZSONGPCHIO-ZDUSSCGKSA-N 1 2 354.501 1.749 40 0 FDABLO C[N@@H+]1CC[C@@H](COCC2CC2)CC12CN(S(=O)(=O)c1cccnc1)C2 ZINC000248117770 537166718 /nfs/dbraw/zinc/16/67/18/537166718.db2.gz JCNKSOWBOGQWEJ-MRXNPFEDSA-N 1 2 365.499 1.593 40 0 FDABLO C[N@H+]1CC[C@@H](COCC2CC2)CC12CN(S(=O)(=O)c1cccnc1)C2 ZINC000248117770 537166721 /nfs/dbraw/zinc/16/67/21/537166721.db2.gz JCNKSOWBOGQWEJ-MRXNPFEDSA-N 1 2 365.499 1.593 40 0 FDABLO Cc1nc([C@H]2CN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CCO2)no1 ZINC000332894768 537303437 /nfs/dbraw/zinc/30/34/37/537303437.db2.gz TZXPDNXZKLJMES-ZIAGYGMSSA-N 1 2 358.402 1.135 40 0 FDABLO Cn1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COCc2ccncc2)cn1 ZINC000585094688 551568303 /nfs/dbraw/zinc/56/83/03/551568303.db2.gz HORZTJLDUUQIPF-QGZVFWFLSA-N 1 2 352.442 1.692 40 0 FDABLO Cc1c(C[N@@H+]2Cc3ccnn3CC[C@H]2CNC(=O)CC2CC2)cnn1C ZINC000585096829 551569368 /nfs/dbraw/zinc/56/93/68/551569368.db2.gz DLONOAVIBIYPEI-KRWDZBQOSA-N 1 2 356.474 1.616 40 0 FDABLO Cc1c(C[N@H+]2Cc3ccnn3CC[C@H]2CNC(=O)CC2CC2)cnn1C ZINC000585096829 551569372 /nfs/dbraw/zinc/56/93/72/551569372.db2.gz DLONOAVIBIYPEI-KRWDZBQOSA-N 1 2 356.474 1.616 40 0 FDABLO Cc1cc(C(=O)N2Cc3ccnn3CC[C@@H]2C[NH+]2CCOCC2)c(C)o1 ZINC000585098550 551570259 /nfs/dbraw/zinc/57/02/59/551570259.db2.gz ZIHPEWFFBWTCNE-MRXNPFEDSA-N 1 2 358.442 1.840 40 0 FDABLO O=C(NCc1cscn1)C1=NO[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000585101269 551570888 /nfs/dbraw/zinc/57/08/88/551570888.db2.gz TVIDODFIDODEME-GOSISDBHSA-N 1 2 371.466 1.965 40 0 FDABLO O=C(NCc1cscn1)C1=NO[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000585101269 551570890 /nfs/dbraw/zinc/57/08/90/551570890.db2.gz TVIDODFIDODEME-GOSISDBHSA-N 1 2 371.466 1.965 40 0 FDABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@H]3CCNS(=O)(=O)C2CC2)n1 ZINC000585102685 551571618 /nfs/dbraw/zinc/57/16/18/551571618.db2.gz FVHGXYWVEFJQCV-OAHLLOKOSA-N 1 2 365.499 1.453 40 0 FDABLO CCS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccccc3F)C2)OC1 ZINC000585105214 551571938 /nfs/dbraw/zinc/57/19/38/551571938.db2.gz QKSSVVGXYQBOGQ-AWEZNQCLSA-N 1 2 356.463 1.746 40 0 FDABLO CS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3ccc(Cl)cc3)C2)OC1 ZINC000585105450 551572641 /nfs/dbraw/zinc/57/26/41/551572641.db2.gz WSNLZSRQVPVYGS-CQSZACIVSA-N 1 2 358.891 1.870 40 0 FDABLO COCc1cccc(-c2c[nH+]c3n2CCN(C(=O)[C@H]2CCC(=O)N2)CC3)c1 ZINC000585111245 551573498 /nfs/dbraw/zinc/57/34/98/551573498.db2.gz KXPNAAXMQHWVDR-MRXNPFEDSA-N 1 2 368.437 1.360 40 0 FDABLO Cn1nccc1C(=O)NCC[C@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585111809 551573987 /nfs/dbraw/zinc/57/39/87/551573987.db2.gz CDBHYXNAOGUBBO-KRWDZBQOSA-N 1 2 364.453 1.994 40 0 FDABLO Cn1nccc1C(=O)NCC[C@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585111809 551573989 /nfs/dbraw/zinc/57/39/89/551573989.db2.gz CDBHYXNAOGUBBO-KRWDZBQOSA-N 1 2 364.453 1.994 40 0 FDABLO COC[C@]1(CC(N)=O)C[N@H+](Cc2cccc(Br)c2)CCO1 ZINC000585278154 551577947 /nfs/dbraw/zinc/57/79/47/551577947.db2.gz LZAFITWCUBRVSR-HNNXBMFYSA-N 1 2 357.248 1.542 40 0 FDABLO COC[C@]1(CC(N)=O)C[N@@H+](Cc2cccc(Br)c2)CCO1 ZINC000585278154 551577948 /nfs/dbraw/zinc/57/79/48/551577948.db2.gz LZAFITWCUBRVSR-HNNXBMFYSA-N 1 2 357.248 1.542 40 0 FDABLO Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23C[NH+](CC2CCCC2)C3)n1 ZINC000253478856 571135740 /nfs/dbraw/zinc/13/57/40/571135740.db2.gz NKRJXDDETCTFLQ-MRXNPFEDSA-N 1 2 365.499 1.843 40 0 FDABLO CN(C)c1nccnc1[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)CCO1 ZINC000257211474 529816305 /nfs/dbraw/zinc/81/63/05/529816305.db2.gz BYZWQBLLMVQPEF-KRWDZBQOSA-N 1 2 356.426 1.887 40 0 FDABLO CN(C)c1nccnc1[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)CCO1 ZINC000257211474 529816306 /nfs/dbraw/zinc/81/63/06/529816306.db2.gz BYZWQBLLMVQPEF-KRWDZBQOSA-N 1 2 356.426 1.887 40 0 FDABLO C[N@H+](CC(=O)NCc1cnc([C@@H]2CCCCO2)nc1)Cc1cccnc1 ZINC000257246166 529836128 /nfs/dbraw/zinc/83/61/28/529836128.db2.gz ISVJLDPNFCJGEL-KRWDZBQOSA-N 1 2 355.442 1.861 40 0 FDABLO C[N@@H+](CC(=O)NCc1cnc([C@@H]2CCCCO2)nc1)Cc1cccnc1 ZINC000257246166 529836129 /nfs/dbraw/zinc/83/61/29/529836129.db2.gz ISVJLDPNFCJGEL-KRWDZBQOSA-N 1 2 355.442 1.861 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)c2cc3c(cccc3OC)[nH]2)CC[N@@H+]1C(C)C ZINC000257229307 529909215 /nfs/dbraw/zinc/90/92/15/529909215.db2.gz FXOWJWNOLUTKDM-INIZCTEOSA-N 1 2 358.442 1.457 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)c2cc3c(cccc3OC)[nH]2)CC[N@H+]1C(C)C ZINC000257229307 529909216 /nfs/dbraw/zinc/90/92/16/529909216.db2.gz FXOWJWNOLUTKDM-INIZCTEOSA-N 1 2 358.442 1.457 40 0 FDABLO COc1ncccc1C[N@H+]1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 ZINC000306128704 210052041 /nfs/dbraw/zinc/05/20/41/210052041.db2.gz HIRFCCJVLODCPM-HNNXBMFYSA-N 1 2 365.441 1.821 40 0 FDABLO COc1ncccc1C[N@@H+]1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 ZINC000306128704 210052043 /nfs/dbraw/zinc/05/20/43/210052043.db2.gz HIRFCCJVLODCPM-HNNXBMFYSA-N 1 2 365.441 1.821 40 0 FDABLO Cc1nc(C[N@@H+]2C[C@H]3OC[C@@H](CNC(=O)c4cnccn4)[C@H]3C2)cs1 ZINC000306127182 210050571 /nfs/dbraw/zinc/05/05/71/210050571.db2.gz FRBQDJOBGNXIDT-XNRPHZJLSA-N 1 2 359.455 1.118 40 0 FDABLO Cc1nc(C[N@H+]2C[C@H]3OC[C@@H](CNC(=O)c4cnccn4)[C@H]3C2)cs1 ZINC000306127182 210050575 /nfs/dbraw/zinc/05/05/75/210050575.db2.gz FRBQDJOBGNXIDT-XNRPHZJLSA-N 1 2 359.455 1.118 40 0 FDABLO COc1ccccc1CN1Cc2c[nH+]cn2[C@@H](C(=O)N2CC(F)(F)C2)C1 ZINC000306124358 210049244 /nfs/dbraw/zinc/04/92/44/210049244.db2.gz BNLJOIWGURNLRU-OAHLLOKOSA-N 1 2 362.380 1.926 40 0 FDABLO CCS(=O)(=O)CCN1CC2(C1)OCC[C@@H]2CCNc1cccc[nH+]1 ZINC000253488655 222991343 /nfs/dbraw/zinc/99/13/43/222991343.db2.gz BJDDHEJVZUUALC-HNNXBMFYSA-N 1 2 353.488 1.409 40 0 FDABLO Cc1nc(Nc2cnccn2)cc([C@@H]2CCCC[N@H+]2CC(=O)N(C)C)n1 ZINC000257210442 223020646 /nfs/dbraw/zinc/02/06/46/223020646.db2.gz BUQFMZYGUDGJSP-HNNXBMFYSA-N 1 2 355.446 1.934 40 0 FDABLO Cc1nc(Nc2cnccn2)cc([C@@H]2CCCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000257210442 223020650 /nfs/dbraw/zinc/02/06/50/223020650.db2.gz BUQFMZYGUDGJSP-HNNXBMFYSA-N 1 2 355.446 1.934 40 0 FDABLO Cc1[nH+]cc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cncnc3)C2)n1C ZINC000257218922 223025654 /nfs/dbraw/zinc/02/56/54/223025654.db2.gz DEVQSOMTCYSKAD-CQSZACIVSA-N 1 2 363.425 1.995 40 0 FDABLO CC(C)(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000015935686 220171854 /nfs/dbraw/zinc/17/18/54/220171854.db2.gz CKCNUARWJYRGAH-UHFFFAOYSA-N 1 2 361.442 1.981 40 0 FDABLO CCn1ncc(Cl)c1C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000020528403 211286199 /nfs/dbraw/zinc/28/61/99/211286199.db2.gz RPFWOXJCECTLLB-UHFFFAOYSA-N 1 2 364.881 1.865 40 0 FDABLO COc1ccc2[nH]c(C(=O)NC[C@@H](C)[NH+]3CCOCC3)c(NC(C)=O)c2c1 ZINC000019719866 211251970 /nfs/dbraw/zinc/25/19/70/211251970.db2.gz ULQRFKHCXGGRKC-GFCCVEGCSA-N 1 2 374.441 1.585 40 0 FDABLO Cc1noc(C)c1CC(=O)N1CCc2nnc([C@H]3CCCC[N@H+]3C)n2CC1 ZINC000019706146 211246529 /nfs/dbraw/zinc/24/65/29/211246529.db2.gz IQBMBIVTTNRVSJ-MRXNPFEDSA-N 1 2 372.473 1.667 40 0 FDABLO Cc1noc(C)c1CC(=O)N1CCc2nnc([C@H]3CCCC[N@@H+]3C)n2CC1 ZINC000019706146 211246532 /nfs/dbraw/zinc/24/65/32/211246532.db2.gz IQBMBIVTTNRVSJ-MRXNPFEDSA-N 1 2 372.473 1.667 40 0 FDABLO COc1cc2cc(C(=O)NC[C@@H](C)[NH+]3CCOCC3)n(C)c2cc1OC ZINC000019456494 211223723 /nfs/dbraw/zinc/22/37/23/211223723.db2.gz BYUNNVCBFIFPDH-CYBMUJFWSA-N 1 2 361.442 1.646 40 0 FDABLO COc1cccc(-n2nnc(C(=O)NC[C@H](C)[NH+]3CCOCC3)c2C)c1 ZINC000019557748 211232854 /nfs/dbraw/zinc/23/28/54/211232854.db2.gz HCASHFSEVUCDPD-ZDUSSCGKSA-N 1 2 359.430 1.035 40 0 FDABLO CCn1cc(S(=O)(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(C)n1 ZINC000019524683 211227454 /nfs/dbraw/zinc/22/74/54/211227454.db2.gz GPNCMGOJBQGYCT-UHFFFAOYSA-N 1 2 370.519 1.525 40 0 FDABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)CC1 ZINC000016740337 211168160 /nfs/dbraw/zinc/16/81/60/211168160.db2.gz NGKFMGUKLWUXNT-UHFFFAOYSA-N 1 2 373.478 1.804 40 0 FDABLO COCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(Cl)cc3)no2)[N@H+](C)C1 ZINC000020464156 220327418 /nfs/dbraw/zinc/32/74/18/220327418.db2.gz JTJYBUUAWTXLDU-STQMWFEESA-N 1 2 350.806 1.898 40 0 biogenic,in-vitro FDABLO COCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(Cl)cc3)no2)[N@@H+](C)C1 ZINC000020464156 220327422 /nfs/dbraw/zinc/32/74/22/220327422.db2.gz JTJYBUUAWTXLDU-STQMWFEESA-N 1 2 350.806 1.898 40 0 biogenic,in-vitro FDABLO COc1cc(C(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)nc(OC)n1 ZINC000257237901 533521981 /nfs/dbraw/zinc/52/19/81/533521981.db2.gz HITAGOVDSZGTJO-AWEZNQCLSA-N 1 2 357.414 1.932 40 0 FDABLO Cc1ccc(N2C[C@@]3(COCC[N@@H+](Cc4nccn4C)C3)OCC2=O)cc1 ZINC000096240092 132223559 /nfs/dbraw/zinc/22/35/59/132223559.db2.gz HUCYXSMCFXMOCH-FQEVSTJZSA-N 1 2 370.453 1.363 40 0 FDABLO Cc1ccc(N2C[C@@]3(COCC[N@H+](Cc4nccn4C)C3)OCC2=O)cc1 ZINC000096240092 132223560 /nfs/dbraw/zinc/22/35/60/132223560.db2.gz HUCYXSMCFXMOCH-FQEVSTJZSA-N 1 2 370.453 1.363 40 0 FDABLO Cc1ccc(N2C[C@@]3(COCCN(Cc4[nH+]ccn4C)C3)OCC2=O)cc1 ZINC000096240092 132223561 /nfs/dbraw/zinc/22/35/61/132223561.db2.gz HUCYXSMCFXMOCH-FQEVSTJZSA-N 1 2 370.453 1.363 40 0 FDABLO c1csc(CN2CCc3[nH+]c(N4CCOCC4)nc(NC4CC4)c3C2)n1 ZINC000096254134 132224218 /nfs/dbraw/zinc/22/42/18/132224218.db2.gz OHLKYLIJKMKZDL-UHFFFAOYSA-N 1 2 372.498 1.902 40 0 FDABLO CN(C)c1cc(N2CCC[C@@](C)(C(=O)NCc3ccccn3)C2)nc[nH+]1 ZINC000257224993 132295099 /nfs/dbraw/zinc/29/50/99/132295099.db2.gz FEJUVQZUHPUWCB-LJQANCHMSA-N 1 2 354.458 1.861 40 0 FDABLO CN(C)c1cc(N2CCC[C@@](C)(C(=O)NCc3ccccn3)C2)[nH+]cn1 ZINC000257224993 132295101 /nfs/dbraw/zinc/29/51/01/132295101.db2.gz FEJUVQZUHPUWCB-LJQANCHMSA-N 1 2 354.458 1.861 40 0 FDABLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)c4ccnnc4)C[C@@H]3C2)cs1 ZINC000096108144 222027105 /nfs/dbraw/zinc/02/71/05/222027105.db2.gz WQEKJZWERBMWGM-GOEBONIOSA-N 1 2 359.455 1.215 40 0 FDABLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)c4ccnnc4)C[C@@H]3C2)cs1 ZINC000096108144 222027109 /nfs/dbraw/zinc/02/71/09/222027109.db2.gz WQEKJZWERBMWGM-GOEBONIOSA-N 1 2 359.455 1.215 40 0 FDABLO Cc1nc(CN2CCOC[C@]3(C[N@H+](Cc4cccnc4)CCO3)C2)cs1 ZINC000096049825 222000601 /nfs/dbraw/zinc/00/06/01/222000601.db2.gz GKAAAWOFPGCSAJ-IBGZPJMESA-N 1 2 374.510 1.950 40 0 FDABLO Cc1nc(CN2CCOC[C@]3(C[N@@H+](Cc4cccnc4)CCO3)C2)cs1 ZINC000096049825 222000606 /nfs/dbraw/zinc/00/06/06/222000606.db2.gz GKAAAWOFPGCSAJ-IBGZPJMESA-N 1 2 374.510 1.950 40 0 FDABLO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCC[N@@H+](Cc2nccn2C)C3)nn1 ZINC000096240550 222094825 /nfs/dbraw/zinc/09/48/25/222094825.db2.gz MBWJGWXWYYFDAS-VQIMIIECSA-N 1 2 372.473 1.238 40 0 FDABLO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCC[N@H+](Cc2nccn2C)C3)nn1 ZINC000096240550 222094829 /nfs/dbraw/zinc/09/48/29/222094829.db2.gz MBWJGWXWYYFDAS-VQIMIIECSA-N 1 2 372.473 1.238 40 0 FDABLO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(Cc2[nH+]ccn2C)C3)nn1 ZINC000096240550 222094830 /nfs/dbraw/zinc/09/48/30/222094830.db2.gz MBWJGWXWYYFDAS-VQIMIIECSA-N 1 2 372.473 1.238 40 0 FDABLO CC(C)C(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251263 222100071 /nfs/dbraw/zinc/10/00/71/222100071.db2.gz AZLXIUSPKKFCFY-JXFKEZNVSA-N 1 2 358.486 1.871 40 0 FDABLO CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CCN(C(=O)c1ccnnc1)C2 ZINC000096254172 222101863 /nfs/dbraw/zinc/10/18/63/222101863.db2.gz CPHQCJBXSDPMAR-UHFFFAOYSA-N 1 2 353.430 1.860 40 0 FDABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000100420268 222242818 /nfs/dbraw/zinc/24/28/18/222242818.db2.gz YEZNKYFKDZHBMC-YGTYGHESSA-N 1 2 360.410 1.370 40 0 FDABLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000328785154 259058805 /nfs/dbraw/zinc/05/88/05/259058805.db2.gz OGZWZGYJFHFFCK-VIFPVBQESA-N 1 2 351.204 1.913 40 0 FDABLO COc1cccc(C[N@@H+]2C[C@H]3NS(=O)(=O)c4ccccc4O[C@H]3C2)c1 ZINC000514290380 263776726 /nfs/dbraw/zinc/77/67/26/263776726.db2.gz ZNCMKDLPCMGOKK-WBVHZDCISA-N 1 2 360.435 1.619 40 0 biogenic,in-vitro FDABLO COc1cccc(C[N@H+]2C[C@H]3NS(=O)(=O)c4ccccc4O[C@H]3C2)c1 ZINC000514290380 263776728 /nfs/dbraw/zinc/77/67/28/263776728.db2.gz ZNCMKDLPCMGOKK-WBVHZDCISA-N 1 2 360.435 1.619 40 0 biogenic,in-vitro FDABLO Cc1cc2nc([C@@H]3CCCC[N@@H+]3CC(=O)N3CCOCC3)cc(=O)n2[nH]1 ZINC000257342384 534133580 /nfs/dbraw/zinc/13/35/80/534133580.db2.gz ZOIZBEXCICXUTK-HNNXBMFYSA-N 1 2 359.430 1.129 40 0 FDABLO Cc1cc2nc([C@@H]3CCCC[N@H+]3CC(=O)N3CCOCC3)cc(=O)n2[nH]1 ZINC000257342384 534133588 /nfs/dbraw/zinc/13/35/88/534133588.db2.gz ZOIZBEXCICXUTK-HNNXBMFYSA-N 1 2 359.430 1.129 40 0 FDABLO CN(C)C(=O)c1ccc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccn3)C2)nc1 ZINC000019767354 518836183 /nfs/dbraw/zinc/83/61/83/518836183.db2.gz OIYDGQIULWWUQR-MRXNPFEDSA-N 1 2 367.453 1.997 40 0 FDABLO CN(C)C(=O)c1ccc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccn3)C2)nc1 ZINC000019767354 518836186 /nfs/dbraw/zinc/83/61/86/518836186.db2.gz OIYDGQIULWWUQR-MRXNPFEDSA-N 1 2 367.453 1.997 40 0 FDABLO COc1cc([C@@]2(C)OC[C@H](C[NH+]3CCOCC3)O2)cc(OC)c1OC ZINC000033852239 519590717 /nfs/dbraw/zinc/59/07/17/519590717.db2.gz ZIOBPMQEBOCFLH-KSSFIOAISA-N 1 2 353.415 1.633 40 0 in-man FDABLO CCOC(=O)Nc1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000038377294 519633748 /nfs/dbraw/zinc/63/37/48/519633748.db2.gz KWJHREFZJPIEMK-UHFFFAOYSA-N 1 2 357.432 1.200 40 0 FDABLO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000078269259 523546716 /nfs/dbraw/zinc/54/67/16/523546716.db2.gz ZODHLSVTCICPIV-AEFFLSMTSA-N 1 2 371.485 1.136 40 0 FDABLO Cc1[nH+]cc(-c2cncc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)n1C ZINC000257274011 534723096 /nfs/dbraw/zinc/72/30/96/534723096.db2.gz NJELGNDLEZEOEF-CYBMUJFWSA-N 1 2 364.475 1.171 40 0 FDABLO Nc1cc(CC[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)cc[nH+]1 ZINC000257293233 534735357 /nfs/dbraw/zinc/73/53/57/534735357.db2.gz QOQHTJOXGZBORV-CQSZACIVSA-N 1 2 352.398 1.409 40 0 FDABLO O=S(=O)(NC[C@@H]1CCC2(C[NH+](Cc3ccccn3)C2)OC1)C1CC1 ZINC000247312814 537106497 /nfs/dbraw/zinc/10/64/97/537106497.db2.gz JBUNGVKIRXCEDL-AWEZNQCLSA-N 1 2 351.472 1.144 40 0 FDABLO O=S1(=O)CC[C@H](COc2ncccc2F)C12C[NH+](C1CCOCC1)C2 ZINC000247350112 537112260 /nfs/dbraw/zinc/11/22/60/537112260.db2.gz VXYNRMZLUOOPPK-CYBMUJFWSA-N 1 2 370.446 1.268 40 0 FDABLO O=C(COC[C@@H]1CN(Cc2nccs2)Cc2c[nH+]cn21)N1CCCC1 ZINC000247732809 537146349 /nfs/dbraw/zinc/14/63/49/537146349.db2.gz IJEICUWPVFOOPH-HNNXBMFYSA-N 1 2 361.471 1.536 40 0 FDABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](OCC(=O)N2CCCC2)CS3)no1 ZINC000247904769 537156935 /nfs/dbraw/zinc/15/69/35/537156935.db2.gz JLTTWZBSIKUZAD-HNNXBMFYSA-N 1 2 351.472 1.682 40 0 FDABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](OCC(=O)N2CCCC2)CS3)n(C)n1 ZINC000248029391 537163224 /nfs/dbraw/zinc/16/32/24/537163224.db2.gz KQAQJIILEKCMEU-INIZCTEOSA-N 1 2 364.515 1.427 40 0 FDABLO Cc1ccc(C(=O)N2Cc3c[nH+]cn3[C@@H](CNS(C)(=O)=O)C2)cc1F ZINC000248089497 537166408 /nfs/dbraw/zinc/16/64/08/537166408.db2.gz GLFIVBYRUHKXHA-AWEZNQCLSA-N 1 2 366.418 1.077 40 0 FDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)CC1 ZINC000225708684 537556836 /nfs/dbraw/zinc/55/68/36/537556836.db2.gz RNKOVMMNPOLNSH-UHFFFAOYSA-N 1 2 369.512 1.970 40 0 FDABLO O=S1(=O)C[C@@H](O)[C@H]([N@H+](CCO)C(c2ccccc2)c2ccccc2)C1 ZINC000575419594 550462021 /nfs/dbraw/zinc/46/20/21/550462021.db2.gz WUENSFWFGUZHKF-QZTJIDSGSA-N 1 2 361.463 1.228 40 0 FDABLO O=S1(=O)C[C@@H](O)[C@H]([N@@H+](CCO)C(c2ccccc2)c2ccccc2)C1 ZINC000575419594 550462022 /nfs/dbraw/zinc/46/20/22/550462022.db2.gz WUENSFWFGUZHKF-QZTJIDSGSA-N 1 2 361.463 1.228 40 0 FDABLO O=C(NC1CCCC1)[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2c[nH+]cn21 ZINC000585095947 551568877 /nfs/dbraw/zinc/56/88/77/551568877.db2.gz GEPDBCMZSVNTJB-KRWDZBQOSA-N 1 2 354.410 1.845 40 0 FDABLO Cc1cncc(C[N@@H+]2CCC[C@@]3(CC(C(=O)NCC(F)(F)F)=NO3)C2)n1 ZINC000585101127 551570856 /nfs/dbraw/zinc/57/08/56/551570856.db2.gz GRLAFMIMBFJHEK-OAHLLOKOSA-N 1 2 371.363 1.574 40 0 FDABLO Cc1cncc(C[N@H+]2CCC[C@@]3(CC(C(=O)NCC(F)(F)F)=NO3)C2)n1 ZINC000585101127 551570858 /nfs/dbraw/zinc/57/08/58/551570858.db2.gz GRLAFMIMBFJHEK-OAHLLOKOSA-N 1 2 371.363 1.574 40 0 FDABLO CC(=O)c1cc(C(=O)N2C[C@H]3C[NH+](Cc4csc(C)n4)C[C@@H]3C2)[nH]n1 ZINC000585107582 551572525 /nfs/dbraw/zinc/57/25/25/551572525.db2.gz IUKCKCXTDHDQMC-CHWSQXEVSA-N 1 2 359.455 1.581 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(Cc3ccc(OC)cc3)C2)C[N@@H+]1CC1CC1 ZINC000585109524 551573213 /nfs/dbraw/zinc/57/32/13/551573213.db2.gz VZFIGVOYVHGMDD-GOSISDBHSA-N 1 2 359.470 1.106 40 0 FDABLO CNC(=O)[C@H]1COC2(CN(Cc3ccc(OC)cc3)C2)C[N@H+]1CC1CC1 ZINC000585109524 551573215 /nfs/dbraw/zinc/57/32/15/551573215.db2.gz VZFIGVOYVHGMDD-GOSISDBHSA-N 1 2 359.470 1.106 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(Cc3ccccc3OC)C2)C[N@@H+]1CC1CC1 ZINC000585109681 551573245 /nfs/dbraw/zinc/57/32/45/551573245.db2.gz ZKUKFULJGDERLO-KRWDZBQOSA-N 1 2 359.470 1.106 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(Cc3ccccc3OC)C2)C[N@H+]1CC1CC1 ZINC000585109681 551573246 /nfs/dbraw/zinc/57/32/46/551573246.db2.gz ZKUKFULJGDERLO-KRWDZBQOSA-N 1 2 359.470 1.106 40 0 FDABLO CS(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 ZINC000585289757 551579738 /nfs/dbraw/zinc/57/97/38/551579738.db2.gz NHCRUKHNQDQOIA-GVDBMIGSSA-N 1 2 372.462 1.064 40 0 FDABLO COC(=O)COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1C ZINC000408587211 570566883 /nfs/dbraw/zinc/56/68/83/570566883.db2.gz BDMQMDPPQYVFGR-UHFFFAOYSA-N 1 2 367.427 1.112 40 0 FDABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N1CCCC1 ZINC000408600617 570578634 /nfs/dbraw/zinc/57/86/34/570578634.db2.gz BFVNWBDDASIHHG-UHFFFAOYSA-N 1 2 351.472 1.167 40 0 FDABLO OCCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000328988253 571106235 /nfs/dbraw/zinc/10/62/35/571106235.db2.gz IFMQXERDUJNQPB-UHFFFAOYSA-N 1 2 357.364 1.677 40 0 FDABLO CN1CC2(C[NH+](Cc3cccs3)C2)OC[C@@H]1C(=O)N1CCCCO1 ZINC000253613016 571139506 /nfs/dbraw/zinc/13/95/06/571139506.db2.gz OIHBDAJNMXLYFW-OAHLLOKOSA-N 1 2 351.472 1.187 40 0 FDABLO C[NH+]1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)CC1 ZINC000253573718 571291786 /nfs/dbraw/zinc/29/17/86/571291786.db2.gz RTDVZFWUIMBJPG-UHFFFAOYSA-N 1 2 366.878 1.178 40 0 FDABLO CCc1[nH+]ccn1-c1ccc(C(=O)N2CCO[C@](C)(C(=O)N(C)C)C2)cn1 ZINC000257230857 529759542 /nfs/dbraw/zinc/75/95/42/529759542.db2.gz GEFGTVCHAOLXNL-IBGZPJMESA-N 1 2 371.441 1.149 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)c2ccc(C)nc2)CC[N@@H+]1CCc1ccccc1 ZINC000257213947 529928150 /nfs/dbraw/zinc/92/81/50/529928150.db2.gz CJURYRLOONQMTE-LJQANCHMSA-N 1 2 366.465 1.505 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)c2ccc(C)nc2)CC[N@H+]1CCc1ccccc1 ZINC000257213947 529928151 /nfs/dbraw/zinc/92/81/51/529928151.db2.gz CJURYRLOONQMTE-LJQANCHMSA-N 1 2 366.465 1.505 40 0 FDABLO Cn1ccnc1C[N@@H+]1CC[C@H](O)[C@]2(CN(C)C(=O)N2c2ccccc2)C1 ZINC000257199993 223015781 /nfs/dbraw/zinc/01/57/81/223015781.db2.gz ABODJFKLRMPBIV-LPHOPBHVSA-N 1 2 355.442 1.298 40 0 FDABLO Cn1ccnc1C[N@H+]1CC[C@H](O)[C@]2(CN(C)C(=O)N2c2ccccc2)C1 ZINC000257199993 223015783 /nfs/dbraw/zinc/01/57/83/223015783.db2.gz ABODJFKLRMPBIV-LPHOPBHVSA-N 1 2 355.442 1.298 40 0 FDABLO Cn1cc[nH+]c1CN1CC[C@H](O)[C@]2(CN(C)C(=O)N2c2ccccc2)C1 ZINC000257199993 223015785 /nfs/dbraw/zinc/01/57/85/223015785.db2.gz ABODJFKLRMPBIV-LPHOPBHVSA-N 1 2 355.442 1.298 40 0 FDABLO Cn1ccnc1C(=O)N1CCC[C@H]1c1ccnc(C[NH+]2CCOCC2)c1 ZINC000257239786 223033017 /nfs/dbraw/zinc/03/30/17/223033017.db2.gz HQTRFWWTSPBDDR-KRWDZBQOSA-N 1 2 355.442 1.625 40 0 FDABLO Cn1cc(NC(=O)C[N@@H+]2CCC[C@](O)(COc3ccc(F)cc3)C2)cn1 ZINC000257310549 223062128 /nfs/dbraw/zinc/06/21/28/223062128.db2.gz UFOLITVJGYWMEE-GOSISDBHSA-N 1 2 362.405 1.404 40 0 FDABLO Cn1cc(NC(=O)C[N@H+]2CCC[C@](O)(COc3ccc(F)cc3)C2)cn1 ZINC000257310549 223062131 /nfs/dbraw/zinc/06/21/31/223062131.db2.gz UFOLITVJGYWMEE-GOSISDBHSA-N 1 2 362.405 1.404 40 0 FDABLO C[NH+](C)Cc1cncc([C@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)n1 ZINC000257340503 223072179 /nfs/dbraw/zinc/07/21/79/223072179.db2.gz ZGKSANMNFHOUSI-QGZVFWFLSA-N 1 2 351.414 1.787 40 0 FDABLO Cc1nccc([C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CCO2)n1 ZINC000257344273 223072868 /nfs/dbraw/zinc/07/28/68/223072868.db2.gz ZWJHYUCDMPPTLP-INIZCTEOSA-N 1 2 350.382 1.579 40 0 FDABLO C[C@H]1c2nc(CC(=O)NCc3ccco3)cn2CC[N@H+]1Cc1cnn(C)c1 ZINC000306134675 223110358 /nfs/dbraw/zinc/11/03/58/223110358.db2.gz NVDGMZYOJWAZDV-AWEZNQCLSA-N 1 2 368.441 1.645 40 0 FDABLO C[C@H]1c2nc(CC(=O)NCc3ccco3)cn2CC[N@@H+]1Cc1cnn(C)c1 ZINC000306134675 223110362 /nfs/dbraw/zinc/11/03/62/223110362.db2.gz NVDGMZYOJWAZDV-AWEZNQCLSA-N 1 2 368.441 1.645 40 0 FDABLO COCCN(CCOC)C(=O)c1nc([C@@H]2CCC[N@@H+]2C)n2ccccc12 ZINC000306137639 223112359 /nfs/dbraw/zinc/11/23/59/223112359.db2.gz RCARBWNMWVEWGN-INIZCTEOSA-N 1 2 360.458 1.836 40 0 FDABLO COCCN(CCOC)C(=O)c1nc([C@@H]2CCC[N@H+]2C)n2ccccc12 ZINC000306137639 223112361 /nfs/dbraw/zinc/11/23/61/223112361.db2.gz RCARBWNMWVEWGN-INIZCTEOSA-N 1 2 360.458 1.836 40 0 FDABLO CCCn1c[nH+]c2c1CN(S(=O)(=O)c1cccs1)[C@H](C(=O)OC)C2 ZINC000015706973 220161858 /nfs/dbraw/zinc/16/18/58/220161858.db2.gz QJNNQHJOXFNVSJ-LBPRGKRZSA-N 1 2 369.468 1.643 40 0 biogenic,in-vitro FDABLO O=S(=O)(N1CCCCC1)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000019342977 220251751 /nfs/dbraw/zinc/25/17/51/220251751.db2.gz GIXUZLWSHJEHIA-CQSZACIVSA-N 1 2 359.517 1.130 40 0 FDABLO CCOC(=O)[C@]1(CC)[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019500759 220264242 /nfs/dbraw/zinc/26/42/42/220264242.db2.gz QXYJPYRNFVYREE-XMDUPGNXSA-N 1 2 360.410 1.282 40 0 FDABLO Cn1cc[nH+]c1[C@H](NC(=O)CC1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000019748784 220293351 /nfs/dbraw/zinc/29/33/51/220293351.db2.gz FWLJLGXHUAJERX-OAHLLOKOSA-N 1 2 354.476 1.049 40 0 FDABLO Cc1ccccc1OCCC(=O)N1CCC[C@@H](c2nnc3n2CC[NH2+]C3)C1 ZINC000019711024 220288308 /nfs/dbraw/zinc/28/83/08/220288308.db2.gz MXRIBNGKWPPQCJ-MRXNPFEDSA-N 1 2 369.469 1.865 40 0 FDABLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCc1nc2cc(Cl)ccc2n1C ZINC000019714212 220289026 /nfs/dbraw/zinc/28/90/26/220289026.db2.gz GHOWWKMSBXCGBQ-CYBMUJFWSA-N 1 2 364.877 1.996 40 0 FDABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 ZINC000020634647 220337965 /nfs/dbraw/zinc/33/79/65/220337965.db2.gz RLHXLAPRBKCXQI-IAQYHMDHSA-N 1 2 366.364 1.872 40 0 FDABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 ZINC000020634647 220337968 /nfs/dbraw/zinc/33/79/68/220337968.db2.gz RLHXLAPRBKCXQI-IAQYHMDHSA-N 1 2 366.364 1.872 40 0 FDABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000020798730 220342127 /nfs/dbraw/zinc/34/21/27/220342127.db2.gz CPBFWEVQVYCDMK-OAHLLOKOSA-N 1 2 366.364 1.872 40 0 FDABLO Cc1nc(N2CCOCC2)nc2c1C[N@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096253862 132224292 /nfs/dbraw/zinc/22/42/92/132224292.db2.gz QAFCJZAKZQHUQQ-UHFFFAOYSA-N 1 2 368.437 1.909 40 0 FDABLO Cc1nc(N2CCOCC2)nc2c1C[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096253862 132224293 /nfs/dbraw/zinc/22/42/93/132224293.db2.gz QAFCJZAKZQHUQQ-UHFFFAOYSA-N 1 2 368.437 1.909 40 0 FDABLO CN(C[C@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)CCc1cccnc1 ZINC000257333199 132296986 /nfs/dbraw/zinc/29/69/86/132296986.db2.gz YAORNRNBZNORSB-HXUWFJFHSA-N 1 2 354.454 1.899 40 0 FDABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(Cc1[nH+]ccn1C)C2 ZINC000096111949 222029521 /nfs/dbraw/zinc/02/95/21/222029521.db2.gz LTTSCAJSCYJZPA-HOCLYGCPSA-N 1 2 356.426 1.435 40 0 biogenic,in-vitro FDABLO Cn1cccc1C(=O)N1CCn2cc(C[N@H+](C)Cc3cccnc3)nc2C1 ZINC000096059552 222007395 /nfs/dbraw/zinc/00/73/95/222007395.db2.gz PYBOOSLYSPPEEH-UHFFFAOYSA-N 1 2 364.453 1.905 40 0 FDABLO Cn1cccc1C(=O)N1CCn2cc(C[N@@H+](C)Cc3cccnc3)nc2C1 ZINC000096059552 222007400 /nfs/dbraw/zinc/00/74/00/222007400.db2.gz PYBOOSLYSPPEEH-UHFFFAOYSA-N 1 2 364.453 1.905 40 0 FDABLO O=C1C[C@H]([NH+]2CCC3(CC2)OCCO3)C(=O)N1c1ccc(F)c(F)c1 ZINC000102242178 222292931 /nfs/dbraw/zinc/29/29/31/222292931.db2.gz QWEVYJHVJUFYSC-AWEZNQCLSA-N 1 2 352.337 1.436 40 0 FDABLO O=C1C[C@H]([NH+]2CCC3(CC2)OCCO3)C(=O)N1c1ccccc1Cl ZINC000104278594 222353705 /nfs/dbraw/zinc/35/37/05/222353705.db2.gz OSUSFIZPHWRPIE-AWEZNQCLSA-N 1 2 350.802 1.811 40 0 FDABLO Cc1nc(C[N@@H+]2CC[C@H](n3cc(C)c(=O)[nH]c3=O)[C@@](C)(O)C2)cs1 ZINC000257212016 534367533 /nfs/dbraw/zinc/36/75/33/534367533.db2.gz CBOMEDDBBJXGQP-BBRMVZONSA-N 1 2 350.444 1.220 40 0 FDABLO Cc1nc(C[N@H+]2CC[C@H](n3cc(C)c(=O)[nH]c3=O)[C@@](C)(O)C2)cs1 ZINC000257212016 534367540 /nfs/dbraw/zinc/36/75/40/534367540.db2.gz CBOMEDDBBJXGQP-BBRMVZONSA-N 1 2 350.444 1.220 40 0 FDABLO O=C(c1cnc2sccn2c1=O)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000028233135 519228121 /nfs/dbraw/zinc/22/81/21/519228121.db2.gz AMDLNHFQSITVRO-UHFFFAOYSA-N 1 2 372.425 1.853 40 0 FDABLO COC(=O)[C@@H]([NH3+])Cc1cc(Br)c(O)c(Br)c1 ZINC000034196898 519594071 /nfs/dbraw/zinc/59/40/71/519594071.db2.gz XIWWDKTXRPGESF-QMMMGPOBSA-N 1 2 353.010 1.960 40 0 FDABLO O=C(CSc1nnc2ncccn21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035313142 519603251 /nfs/dbraw/zinc/60/32/51/519603251.db2.gz LYRPIRBYBSHDJF-UHFFFAOYSA-N 1 2 368.466 1.561 40 0 FDABLO C[NH+]1CCN(C(=O)c2nnc3sc(-c4cccc(Cl)c4)nn32)CC1 ZINC000057354678 522072052 /nfs/dbraw/zinc/07/20/52/522072052.db2.gz FDDWOIHZHKSBEW-UHFFFAOYSA-N 1 2 362.846 1.894 40 0 FDABLO COc1ccc(OCCc2cc([C@H]3CCN(C(=O)C[NH+](C)C)C3)n[nH]2)cc1 ZINC000072371615 522226077 /nfs/dbraw/zinc/22/60/77/522226077.db2.gz LDDKXPHJPPBLHZ-HNNXBMFYSA-N 1 2 372.469 1.917 40 0 FDABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 ZINC000072379193 522228905 /nfs/dbraw/zinc/22/89/05/522228905.db2.gz FWZCNMMKETZQLE-AWEZNQCLSA-N 1 2 363.487 1.816 40 0 FDABLO Cn1cc[nH+]c1CN1C[C@H]2CN(C(=O)c3ccc(Cl)cc3)CCN2C1=O ZINC000077266413 523282338 /nfs/dbraw/zinc/28/23/38/523282338.db2.gz OGRPUPQNHVXZIB-OAHLLOKOSA-N 1 2 373.844 1.836 40 0 biogenic,in-vitro FDABLO Nc1nc(N)c2c([nH+]1)OC1(C2)CC[NH+](Cc2ccccc2C(=O)[O-])CC1 ZINC000257253027 534747508 /nfs/dbraw/zinc/74/75/08/534747508.db2.gz JXHQMFYGLKMXES-UHFFFAOYSA-N 1 2 355.398 1.309 40 0 FDABLO Nc1nc2c(c(N)[nH+]1)CC1(CC[NH+](Cc3ccccc3C(=O)[O-])CC1)O2 ZINC000257253027 534747513 /nfs/dbraw/zinc/74/75/13/534747513.db2.gz JXHQMFYGLKMXES-UHFFFAOYSA-N 1 2 355.398 1.309 40 0 FDABLO O=C(c1cccnc1)N1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096048938 525126609 /nfs/dbraw/zinc/12/66/09/525126609.db2.gz RDHKJJTVAISRJJ-UHFFFAOYSA-N 1 2 352.438 1.984 40 0 FDABLO O=C(c1cccnc1)N1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096048938 525126617 /nfs/dbraw/zinc/12/66/17/525126617.db2.gz RDHKJJTVAISRJJ-UHFFFAOYSA-N 1 2 352.438 1.984 40 0 FDABLO CC(=O)NCc1ccnc([C@H]2CN(Cc3[nH+]ccn3C(C)C)CCO2)n1 ZINC000257243521 526815850 /nfs/dbraw/zinc/81/58/50/526815850.db2.gz IHJIDBQGZGMPBB-MRXNPFEDSA-N 1 2 358.446 1.464 40 0 FDABLO CC(C)n1cc(C[N@H+]2Cc3ccnn3[C@@H](COCC(=O)N(C)C)C2)cn1 ZINC000306128263 528564820 /nfs/dbraw/zinc/56/48/20/528564820.db2.gz GVQKEIDDAXNXBQ-QGZVFWFLSA-N 1 2 360.462 1.322 40 0 FDABLO CC(C)n1cc(C[N@@H+]2Cc3ccnn3[C@@H](COCC(=O)N(C)C)C2)cn1 ZINC000306128263 528564825 /nfs/dbraw/zinc/56/48/25/528564825.db2.gz GVQKEIDDAXNXBQ-QGZVFWFLSA-N 1 2 360.462 1.322 40 0 FDABLO CCOC(=O)[C@]1(CC)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000231644353 537587086 /nfs/dbraw/zinc/58/70/86/537587086.db2.gz QXYJPYRNFVYREE-DEXNDLTESA-N 1 2 360.410 1.282 40 0 FDABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@H](CCOCC(=O)N(C)C)C2)n(C)n1 ZINC000585095070 551568392 /nfs/dbraw/zinc/56/83/92/551568392.db2.gz CQRCJGKIPFSPMY-QGZVFWFLSA-N 1 2 373.501 1.657 40 0 FDABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@H](CCOCC(=O)N(C)C)C2)n(C)n1 ZINC000585095070 551568389 /nfs/dbraw/zinc/56/83/89/551568389.db2.gz CQRCJGKIPFSPMY-QGZVFWFLSA-N 1 2 373.501 1.657 40 0 FDABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cccc2c1OCCO2 ZINC000585094780 551568528 /nfs/dbraw/zinc/56/85/28/551568528.db2.gz MJTLCOTZYGFCNU-ZDUSSCGKSA-N 1 2 357.410 1.795 40 0 FDABLO Cc1ccc(S(=O)(=O)N2Cc3c[nH+]cn3[C@@H](C(=O)NCC3CC3)C2)cc1 ZINC000585096077 551569046 /nfs/dbraw/zinc/56/90/46/551569046.db2.gz ZGGFEFIGGSSAEM-QGZVFWFLSA-N 1 2 374.466 1.463 40 0 FDABLO O=S1(=O)CC[C@@H](COc2ncccn2)C12C[NH+](CC1CCCC1)C2 ZINC000585103567 551571433 /nfs/dbraw/zinc/57/14/33/551571433.db2.gz PSKPRIKVXHBQNP-HNNXBMFYSA-N 1 2 351.472 1.535 40 0 FDABLO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](CC(=O)Nc3cnn(C)c3)C2)cc1 ZINC000585275755 551577009 /nfs/dbraw/zinc/57/70/09/551577009.db2.gz GQRMALFQFXLTQA-LJQANCHMSA-N 1 2 358.442 1.573 40 0 FDABLO Cc1ccc(OC[C@@]2(O)CCC[N@H+](CC(=O)Nc3cnn(C)c3)C2)cc1 ZINC000585275755 551577010 /nfs/dbraw/zinc/57/70/10/551577010.db2.gz GQRMALFQFXLTQA-LJQANCHMSA-N 1 2 358.442 1.573 40 0 FDABLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585291252 551580455 /nfs/dbraw/zinc/58/04/55/551580455.db2.gz NUILNMWOACKFTD-ALHDMTEFSA-N 1 2 374.481 1.742 40 0 FDABLO COCCN1CC[C@]2(C[N@H+](Cc3cnn(C)c3C)CC(F)(F)C2)C1=O ZINC000585093403 571219564 /nfs/dbraw/zinc/21/95/64/571219564.db2.gz UVPZSWIXTZIIBH-INIZCTEOSA-N 1 2 356.417 1.435 40 0 FDABLO COCCN1CC[C@]2(C[N@@H+](Cc3cnn(C)c3C)CC(F)(F)C2)C1=O ZINC000585093403 571219567 /nfs/dbraw/zinc/21/95/67/571219567.db2.gz UVPZSWIXTZIIBH-INIZCTEOSA-N 1 2 356.417 1.435 40 0 FDABLO COCCN1C(=O)CO[C@H]2C[N@@H+](Cc3cc4cc(OC)ccc4[nH]3)C[C@@H]21 ZINC000257320612 223064860 /nfs/dbraw/zinc/06/48/60/223064860.db2.gz VXOMBRGUANUESF-ROUUACIJSA-N 1 2 359.426 1.235 40 0 FDABLO COCCN1C(=O)CO[C@H]2C[N@H+](Cc3cc4cc(OC)ccc4[nH]3)C[C@@H]21 ZINC000257320612 223064861 /nfs/dbraw/zinc/06/48/61/223064861.db2.gz VXOMBRGUANUESF-ROUUACIJSA-N 1 2 359.426 1.235 40 0 FDABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@H](C(=O)N3CC(F)(F)C3)C2)no1 ZINC000306126267 223106711 /nfs/dbraw/zinc/10/67/11/223106711.db2.gz DRDFREYXRAOIKN-CYBMUJFWSA-N 1 2 350.369 1.894 40 0 FDABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@H](C(=O)N3CC(F)(F)C3)C2)no1 ZINC000306126267 223106714 /nfs/dbraw/zinc/10/67/14/223106714.db2.gz DRDFREYXRAOIKN-CYBMUJFWSA-N 1 2 350.369 1.894 40 0 FDABLO COCCN1CC[C@@]2(CN(C(=O)c3ccco3)C[C@@H]2c2cn(C)c[nH+]2)C1=O ZINC000306123866 223107142 /nfs/dbraw/zinc/10/71/42/223107142.db2.gz AYXBFIXTFLPWMJ-KUHUBIRLSA-N 1 2 372.425 1.118 40 0 FDABLO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)C[N@H+](CC2=COCCO2)CC4)no1 ZINC000012667318 220016842 /nfs/dbraw/zinc/01/68/42/220016842.db2.gz DTSTVHPUCLQRIS-UHFFFAOYSA-N 1 2 369.381 1.645 40 0 FDABLO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)C[N@@H+](CC2=COCCO2)CC4)no1 ZINC000012667318 220016845 /nfs/dbraw/zinc/01/68/45/220016845.db2.gz DTSTVHPUCLQRIS-UHFFFAOYSA-N 1 2 369.381 1.645 40 0 FDABLO C[C@@H](C(=O)Nc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1)n1cc[nH+]c1 ZINC000019080548 220235678 /nfs/dbraw/zinc/23/56/78/220235678.db2.gz NRJFVXIPFUSOPG-LBPRGKRZSA-N 1 2 355.398 1.913 40 0 FDABLO COc1ccc(N2C[C@H](C(=O)NCCn3cc[nH+]c3)CC2=O)c(OC)c1 ZINC000019552552 220271871 /nfs/dbraw/zinc/27/18/71/220271871.db2.gz WFUBSNPREDCLSE-CYBMUJFWSA-N 1 2 358.398 1.070 40 0 FDABLO COCC(=O)N1CC2(CC[NH+](Cc3ncc[nH]3)CC2)C[C@H](O)C1(C)C ZINC000257268282 533054578 /nfs/dbraw/zinc/05/45/78/533054578.db2.gz MKZWRMGWLYVMKX-AWEZNQCLSA-N 1 2 350.463 1.010 40 0 FDABLO COc1cccc(C(=O)N2CC[C@@H](C(=O)NCCNc3cccc[nH+]3)C2)c1 ZINC000019750225 220293964 /nfs/dbraw/zinc/29/39/64/220293964.db2.gz OBJDZXRIACILTL-MRXNPFEDSA-N 1 2 368.437 1.781 40 0 FDABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@H](C(=O)Nc1cccc(F)c1)CC(=O)N2 ZINC000019974099 220308411 /nfs/dbraw/zinc/30/84/11/220308411.db2.gz ZSXUWARRBCJLCN-GFCCVEGCSA-N 1 2 370.388 1.863 40 0 FDABLO CC(C)(C)n1nnnc1[C@H](c1ccccc1F)[NH+]1CCC(C(N)=O)CC1 ZINC000057669795 221091871 /nfs/dbraw/zinc/09/18/71/221091871.db2.gz SOPVSKLLCHFUCI-HNNXBMFYSA-N 1 2 360.437 1.854 40 0 FDABLO O=C1CO[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccccn1 ZINC000067897155 221302410 /nfs/dbraw/zinc/30/24/10/221302410.db2.gz TUGLWLBQLBPAHR-APWZRJJASA-N 1 2 367.405 1.422 40 0 biogenic,in-vitro FDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccccn1 ZINC000067897155 221302413 /nfs/dbraw/zinc/30/24/13/221302413.db2.gz TUGLWLBQLBPAHR-APWZRJJASA-N 1 2 367.405 1.422 40 0 biogenic,in-vitro FDABLO CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CC[N@@H+](Cc1nccn1C)C2 ZINC000096230451 132223225 /nfs/dbraw/zinc/22/32/25/132223225.db2.gz DBBLZNSBVMYUQJ-FQEVSTJZSA-N 1 2 367.453 1.260 40 0 FDABLO CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CC[N@H+](Cc1nccn1C)C2 ZINC000096230451 132223226 /nfs/dbraw/zinc/22/32/26/132223226.db2.gz DBBLZNSBVMYUQJ-FQEVSTJZSA-N 1 2 367.453 1.260 40 0 FDABLO CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1[nH+]ccn1C)C2 ZINC000096230451 132223227 /nfs/dbraw/zinc/22/32/27/132223227.db2.gz DBBLZNSBVMYUQJ-FQEVSTJZSA-N 1 2 367.453 1.260 40 0 FDABLO CCc1noc(CCC(=O)NC[C@@]2(O)CCCN(c3cccc[nH+]3)C2)n1 ZINC000257219773 132295164 /nfs/dbraw/zinc/29/51/64/132295164.db2.gz DIBYQUOPMLFPDD-SFHVURJKSA-N 1 2 359.430 1.107 40 0 FDABLO Cn1cc(C[N@H+]2Cc3nccn3C[C@H](COCc3cccnc3)C2)cn1 ZINC000096059143 222007615 /nfs/dbraw/zinc/00/76/15/222007615.db2.gz FSZIQVWIPYKECU-GOSISDBHSA-N 1 2 352.442 1.860 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3nccn3C[C@H](COCc3cccnc3)C2)cn1 ZINC000096059143 222007618 /nfs/dbraw/zinc/00/76/18/222007618.db2.gz FSZIQVWIPYKECU-GOSISDBHSA-N 1 2 352.442 1.860 40 0 FDABLO C[NH+]1CCN(C(=O)c2nc3c(o2)CN(C(=O)c2cccc(F)c2)C3)CC1 ZINC000096088074 222018193 /nfs/dbraw/zinc/01/81/93/222018193.db2.gz DJMQXYZMEXOHMM-UHFFFAOYSA-N 1 2 358.373 1.357 40 0 FDABLO CN(C)c1nc(N2CCCC2)[nH+]c2c1CCN(C(=O)c1ccoc1)CC2 ZINC000096254600 222102235 /nfs/dbraw/zinc/10/22/35/222102235.db2.gz SFXURFDFNAEZDO-UHFFFAOYSA-N 1 2 355.442 1.977 40 0 FDABLO CC(C)N1C[C@@]2(CO[C@@H](C(=O)NCC[NH+]3CCOCC3)C2)c2ccccc21 ZINC000096144458 222047929 /nfs/dbraw/zinc/04/79/29/222047929.db2.gz PMWOXOJZCLLLLO-CTNGQTDRSA-N 1 2 373.497 1.390 40 0 FDABLO Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=[NH+][C@H]2c1ccccc1Cl ZINC000104279728 222353829 /nfs/dbraw/zinc/35/38/29/222353829.db2.gz UTLNGNXQYJDZNJ-OAHLLOKOSA-N 1 2 359.817 1.866 40 0 FDABLO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000004937652 518320714 /nfs/dbraw/zinc/32/07/14/518320714.db2.gz RDZRICMMRASSSB-UHFFFAOYSA-N 1 2 350.444 1.019 40 0 FDABLO O=C(C[NH+]1CCOCCOCCOCCOCC1)Nc1ccccc1 ZINC000005004148 518325148 /nfs/dbraw/zinc/32/51/48/518325148.db2.gz NACVKRQNUQZXAB-UHFFFAOYSA-N 1 2 352.431 1.007 40 0 FDABLO O=C(NC[C@@H]1Cn2nccc2C[N@H+](Cc2ccccn2)C1)c1ccnnc1 ZINC000306129702 534611173 /nfs/dbraw/zinc/61/11/73/534611173.db2.gz IKKWBVJMMIKGHJ-HNNXBMFYSA-N 1 2 363.425 1.130 40 0 FDABLO O=C(NC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccccn2)C1)c1ccnnc1 ZINC000306129702 534611180 /nfs/dbraw/zinc/61/11/80/534611180.db2.gz IKKWBVJMMIKGHJ-HNNXBMFYSA-N 1 2 363.425 1.130 40 0 FDABLO O=C(Cc1ccc2c(c1)CCC2)NC[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257341730 534707171 /nfs/dbraw/zinc/70/71/71/534707171.db2.gz ZLTCIPNEVZTWKV-NRFANRHFSA-N 1 2 351.450 1.870 40 0 FDABLO Cc1csc(C[N@@H+]2CC[C@@H]3OCCN(C(=O)c4cnccn4)[C@H]3C2)n1 ZINC000108536064 525981868 /nfs/dbraw/zinc/98/18/68/525981868.db2.gz YOFFWYUTMXNYMO-GJZGRUSLSA-N 1 2 359.455 1.357 40 0 FDABLO Cc1csc(C[N@H+]2CC[C@@H]3OCCN(C(=O)c4cnccn4)[C@H]3C2)n1 ZINC000108536064 525981872 /nfs/dbraw/zinc/98/18/72/525981872.db2.gz YOFFWYUTMXNYMO-GJZGRUSLSA-N 1 2 359.455 1.357 40 0 FDABLO CC(C)N1CCN(C(=O)CCn2cc[nH+]c2-c2ccccc2)C[C@H]1C(N)=O ZINC000257247786 529034347 /nfs/dbraw/zinc/03/43/47/529034347.db2.gz JAMOGJFAPILQGZ-KRWDZBQOSA-N 1 2 369.469 1.347 40 0 FDABLO O=C(NC1CCC1)[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21 ZINC000247735200 537147323 /nfs/dbraw/zinc/14/73/23/537147323.db2.gz KKZMOMVCCWJNNR-MRXNPFEDSA-N 1 2 354.410 1.837 40 0 FDABLO O=C([O-])[C@H](Cc1c[nH+]c[nH]1)[NH2+]Cc1cnc(NCc2ccccc2)nc1 ZINC000218761073 537466457 /nfs/dbraw/zinc/46/64/57/537466457.db2.gz SJQURSZAILLOTF-INIZCTEOSA-N 1 2 352.398 1.597 40 0 FDABLO O=C([O-])[C@H](Cc1c[nH]c[nH+]1)[NH2+]Cc1cnc(NCc2ccccc2)nc1 ZINC000218761073 537466463 /nfs/dbraw/zinc/46/64/63/537466463.db2.gz SJQURSZAILLOTF-INIZCTEOSA-N 1 2 352.398 1.597 40 0 FDABLO CS(=O)(=O)CC[C@@H]([NH3+])c1nc([C@@H](c2ccco2)n2cccc2)no1 ZINC000409442579 537850986 /nfs/dbraw/zinc/85/09/86/537850986.db2.gz XNBMDVYREYVGCN-DGCLKSJQSA-N 1 2 350.400 1.536 40 0 FDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COCc2ccccn2)[nH]n1 ZINC000585094790 551568546 /nfs/dbraw/zinc/56/85/46/551568546.db2.gz MXTLIEZAUDBHAN-QGZVFWFLSA-N 1 2 352.442 1.990 40 0 FDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COCc2ccccn2)n[nH]1 ZINC000585094790 551568548 /nfs/dbraw/zinc/56/85/48/551568548.db2.gz MXTLIEZAUDBHAN-QGZVFWFLSA-N 1 2 352.442 1.990 40 0 FDABLO O=C(CC1CC1)N1Cc2c[nH+]cn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000585095919 551569061 /nfs/dbraw/zinc/56/90/61/551569061.db2.gz CCPKGHLSGODJNW-INIZCTEOSA-N 1 2 358.467 1.987 40 0 FDABLO CS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccccc3Cl)C2)OC1 ZINC000585105379 551572118 /nfs/dbraw/zinc/57/21/18/551572118.db2.gz VQBVZQKTRXMSMX-ZDUSSCGKSA-N 1 2 358.891 1.870 40 0 FDABLO Cn1nccc1C(=O)NCC[C@@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585111814 551573993 /nfs/dbraw/zinc/57/39/93/551573993.db2.gz CDBHYXNAOGUBBO-QGZVFWFLSA-N 1 2 364.453 1.994 40 0 FDABLO Cn1nccc1C(=O)NCC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585111814 551573994 /nfs/dbraw/zinc/57/39/94/551573994.db2.gz CDBHYXNAOGUBBO-QGZVFWFLSA-N 1 2 364.453 1.994 40 0 FDABLO CC(=O)NCc1[nH+]c(C2CCN(C(=O)C3CC(O)C3)CC2)n2ccccc12 ZINC000585113213 551574512 /nfs/dbraw/zinc/57/45/12/551574512.db2.gz HYTHDEUZQODGDT-UHFFFAOYSA-N 1 2 370.453 1.447 40 0 FDABLO CO[C@@H]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C[C@H]1Cc1ccccc1 ZINC000585291273 551580311 /nfs/dbraw/zinc/58/03/11/551580311.db2.gz OHFRGUSCKVLLNC-QNFQMBCCSA-N 1 2 358.482 1.981 40 0 FDABLO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2cncnc2)CC[C@@]1(C)O ZINC000604382191 553870757 /nfs/dbraw/zinc/87/07/57/553870757.db2.gz JRQMHKQAFGCRKD-SLFFLAALSA-N 1 2 370.453 1.306 40 0 biogenic,in-vitro FDABLO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2cncnc2)CC[C@@]1(C)O ZINC000604382191 553870758 /nfs/dbraw/zinc/87/07/58/553870758.db2.gz JRQMHKQAFGCRKD-SLFFLAALSA-N 1 2 370.453 1.306 40 0 biogenic,in-vitro FDABLO O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(Cc4nccs4)C3)[N@@H+]2C1 ZINC000514289839 560031757 /nfs/dbraw/zinc/03/17/57/560031757.db2.gz PCTRELJDUUEGFL-DLBZAZTESA-N 1 2 371.510 1.044 40 0 biogenic,in-vitro FDABLO O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(Cc4nccs4)C3)[N@H+]2C1 ZINC000514289839 560031758 /nfs/dbraw/zinc/03/17/58/560031758.db2.gz PCTRELJDUUEGFL-DLBZAZTESA-N 1 2 371.510 1.044 40 0 biogenic,in-vitro FDABLO Cc1[nH+]cc(-c2nccnc2[C@H]2CCCN(C(=O)c3cncnc3)C2)n1C ZINC000257218921 223024737 /nfs/dbraw/zinc/02/47/37/223024737.db2.gz DEVQSOMTCYSKAD-AWEZNQCLSA-N 1 2 363.425 1.995 40 0 FDABLO CCn1ncc(S(=O)(=O)N2CCC[C@H](c3[nH+]c(C)cn3C)C2)c1C ZINC000257265767 223043110 /nfs/dbraw/zinc/04/31/10/223043110.db2.gz MAELSXVIQJBDJR-AWEZNQCLSA-N 1 2 351.476 1.822 40 0 FDABLO O=C(CCn1cnc2ccccc21)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257330188 223067860 /nfs/dbraw/zinc/06/78/60/223067860.db2.gz XNGHXEMLCKASJF-ROUUACIJSA-N 1 2 353.426 1.848 40 0 FDABLO Cc1[nH+]cc(-c2nccnc2[C@H]2CCCN(C(=O)c3cnccn3)C2)n1C ZINC000257336453 223071041 /nfs/dbraw/zinc/07/10/41/223071041.db2.gz YOMLYJNKYGEGBB-AWEZNQCLSA-N 1 2 363.425 1.995 40 0 FDABLO Cc1nccc([C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CCO2)n1 ZINC000257344274 223073329 /nfs/dbraw/zinc/07/33/29/223073329.db2.gz ZWJHYUCDMPPTLP-MRXNPFEDSA-N 1 2 350.382 1.579 40 0 FDABLO C[C@]1(C(=O)NCC2CCOCC2)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000257342536 223073726 /nfs/dbraw/zinc/07/37/26/223073726.db2.gz ZPBRLMLIQZGYGR-IBGZPJMESA-N 1 2 362.474 1.445 40 0 FDABLO Cc1cc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)NCC3CCC3)C2)n(C)n1 ZINC000306127093 223106585 /nfs/dbraw/zinc/10/65/85/223106585.db2.gz FOIAJNSWIGFRPN-INIZCTEOSA-N 1 2 356.474 1.478 40 0 FDABLO Cc1cc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)NCC3CCC3)C2)n(C)n1 ZINC000306127093 223106589 /nfs/dbraw/zinc/10/65/89/223106589.db2.gz FOIAJNSWIGFRPN-INIZCTEOSA-N 1 2 356.474 1.478 40 0 FDABLO O=C1CCCN1C[C@H]1CC[C@]2(COCC[N@H+](Cc3nccs3)C2)O1 ZINC000306129349 223108975 /nfs/dbraw/zinc/10/89/75/223108975.db2.gz IBDLVDIKCDLYGG-PBHICJAKSA-N 1 2 351.472 1.516 40 0 FDABLO O=C1CCCN1C[C@H]1CC[C@]2(COCC[N@@H+](Cc3nccs3)C2)O1 ZINC000306129349 223108979 /nfs/dbraw/zinc/10/89/79/223108979.db2.gz IBDLVDIKCDLYGG-PBHICJAKSA-N 1 2 351.472 1.516 40 0 FDABLO CC[C@H](C(=O)NCCCn1cc[nH+]c1)N(c1ccccc1)S(C)(=O)=O ZINC000013711738 220087882 /nfs/dbraw/zinc/08/78/82/220087882.db2.gz MTSXHEXKTITSRD-MRXNPFEDSA-N 1 2 364.471 1.634 40 0 FDABLO CC[C@@H](C(=O)NCCCn1cc[nH+]c1)N(c1ccccc1)S(C)(=O)=O ZINC000013711740 220088687 /nfs/dbraw/zinc/08/86/87/220088687.db2.gz MTSXHEXKTITSRD-INIZCTEOSA-N 1 2 364.471 1.634 40 0 FDABLO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3CC(=O)N3CCCCC3)ncc2C1 ZINC000019018592 220234235 /nfs/dbraw/zinc/23/42/35/220234235.db2.gz VDRSTEHXHCJYME-SFHVURJKSA-N 1 2 371.485 1.531 40 0 FDABLO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+]3CC(=O)N3CCCCC3)ncc2C1 ZINC000019018592 220234243 /nfs/dbraw/zinc/23/42/43/220234243.db2.gz VDRSTEHXHCJYME-SFHVURJKSA-N 1 2 371.485 1.531 40 0 FDABLO Cc1csc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)n1 ZINC000019240260 220243126 /nfs/dbraw/zinc/24/31/26/220243126.db2.gz RGAMTQMIBSZUEU-MPYYAJLASA-N 1 2 361.471 1.638 40 0 FDABLO Cc1csc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)n1 ZINC000019240260 220243128 /nfs/dbraw/zinc/24/31/28/220243128.db2.gz RGAMTQMIBSZUEU-MPYYAJLASA-N 1 2 361.471 1.638 40 0 FDABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@H+](Cc1ccccn1)CC3 ZINC000019550855 220271160 /nfs/dbraw/zinc/27/11/60/220271160.db2.gz HRHLOQIXWVDWMP-UHFFFAOYSA-N 1 2 366.421 1.867 40 0 FDABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@@H+](Cc1ccccn1)CC3 ZINC000019550855 220271164 /nfs/dbraw/zinc/27/11/64/220271164.db2.gz HRHLOQIXWVDWMP-UHFFFAOYSA-N 1 2 366.421 1.867 40 0 FDABLO Cc1nn(C)cc1S(=O)(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019584027 220276826 /nfs/dbraw/zinc/27/68/26/220276826.db2.gz BKJFONJWHMMYHL-UHFFFAOYSA-N 1 2 350.444 1.362 40 0 FDABLO CC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000057669788 221092127 /nfs/dbraw/zinc/09/21/27/221092127.db2.gz FZHYNYOZDRKSDL-HNNXBMFYSA-N 1 2 360.437 1.854 40 0 FDABLO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@H+](Cc1nccs1)C2 ZINC000096050190 132217477 /nfs/dbraw/zinc/21/74/77/132217477.db2.gz JTSSLRJUTFIOMI-GOSISDBHSA-N 1 2 371.466 1.378 40 0 FDABLO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+](Cc1nccs1)C2 ZINC000096050190 132217478 /nfs/dbraw/zinc/21/74/78/132217478.db2.gz JTSSLRJUTFIOMI-GOSISDBHSA-N 1 2 371.466 1.378 40 0 FDABLO O=C1CO[C@@]2(CN1c1cccnc1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096240152 132223553 /nfs/dbraw/zinc/22/35/53/132223553.db2.gz SGRVYOLFOPTCNE-IBGZPJMESA-N 1 2 354.410 1.111 40 0 FDABLO O=C1CO[C@@]2(CN1c1cccnc1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096240152 132223555 /nfs/dbraw/zinc/22/35/55/132223555.db2.gz SGRVYOLFOPTCNE-IBGZPJMESA-N 1 2 354.410 1.111 40 0 FDABLO O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130954813 132251137 /nfs/dbraw/zinc/25/11/37/132251137.db2.gz BDXCJBNAHNKEFM-AWEZNQCLSA-N 1 2 352.394 1.775 40 0 FDABLO Cc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cc(C)[nH+]cn3)C2)cn1 ZINC000257306209 132296700 /nfs/dbraw/zinc/29/67/00/132296700.db2.gz STHRXRDTZAJVLH-IBGZPJMESA-N 1 2 355.442 1.592 40 0 FDABLO Cc1nc(CN2CCOC[C@@]3(C[N@H+](Cc4ccccn4)CCO3)C2)cs1 ZINC000096049824 222001077 /nfs/dbraw/zinc/00/10/77/222001077.db2.gz LLQGPHFZGQPSHP-IBGZPJMESA-N 1 2 374.510 1.950 40 0 FDABLO Cc1nc(CN2CCOC[C@@]3(C[N@@H+](Cc4ccccn4)CCO3)C2)cs1 ZINC000096049824 222001082 /nfs/dbraw/zinc/00/10/82/222001082.db2.gz LLQGPHFZGQPSHP-IBGZPJMESA-N 1 2 374.510 1.950 40 0 FDABLO Cn1cccc1C(=O)NCc1cn2c(n1)C[N@@H+](Cc1ccncc1)CC2 ZINC000096059485 222006693 /nfs/dbraw/zinc/00/66/93/222006693.db2.gz GNUHZNYIRMIOSL-UHFFFAOYSA-N 1 2 350.426 1.562 40 0 FDABLO Cn1cccc1C(=O)NCc1cn2c(n1)C[N@H+](Cc1ccncc1)CC2 ZINC000096059485 222006697 /nfs/dbraw/zinc/00/66/97/222006697.db2.gz GNUHZNYIRMIOSL-UHFFFAOYSA-N 1 2 350.426 1.562 40 0 FDABLO COc1ccc(CN2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)cc1 ZINC000096059602 222007182 /nfs/dbraw/zinc/00/71/82/222007182.db2.gz LWEMBHWIZJGLNS-UHFFFAOYSA-N 1 2 365.437 1.903 40 0 FDABLO Cn1cc(C[N@H+]2Cc3nccn3C[C@H](COCc3ccccn3)C2)cn1 ZINC000096059161 222007307 /nfs/dbraw/zinc/00/73/07/222007307.db2.gz VOOLMSBANTWXCJ-QGZVFWFLSA-N 1 2 352.442 1.860 40 0 FDABLO Cn1cc(C[N@@H+]2Cc3nccn3C[C@H](COCc3ccccn3)C2)cn1 ZINC000096059161 222007311 /nfs/dbraw/zinc/00/73/11/222007311.db2.gz VOOLMSBANTWXCJ-QGZVFWFLSA-N 1 2 352.442 1.860 40 0 FDABLO O=C(NCC1CC1)[C@@H]1Cn2c[nH+]cc2CN(C(=O)NCc2ccccc2)C1 ZINC000096260688 222102854 /nfs/dbraw/zinc/10/28/54/222102854.db2.gz WUYDLKHVIBFXQP-KRWDZBQOSA-N 1 2 367.453 1.751 40 0 FDABLO O=C(c1cnccn1)N1CCC2(CC1)C[N@H+](Cc1ccccn1)CCO2 ZINC000096158841 222057453 /nfs/dbraw/zinc/05/74/53/222057453.db2.gz GZGSVXVZVATDEQ-UHFFFAOYSA-N 1 2 353.426 1.379 40 0 FDABLO O=C(c1cnccn1)N1CCC2(CC1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000096158841 222057455 /nfs/dbraw/zinc/05/74/55/222057455.db2.gz GZGSVXVZVATDEQ-UHFFFAOYSA-N 1 2 353.426 1.379 40 0 FDABLO Cc1nc(C[N@@H+]2CCC[C@]3(CN(C(=O)NC4CC4)CCO3)C2)cs1 ZINC000096226696 222088532 /nfs/dbraw/zinc/08/85/32/222088532.db2.gz JRVWZDORAMLWCT-QGZVFWFLSA-N 1 2 350.488 1.990 40 0 FDABLO Cc1nc(C[N@H+]2CCC[C@]3(CN(C(=O)NC4CC4)CCO3)C2)cs1 ZINC000096226696 222088535 /nfs/dbraw/zinc/08/85/35/222088535.db2.gz JRVWZDORAMLWCT-QGZVFWFLSA-N 1 2 350.488 1.990 40 0 FDABLO COC(=O)c1ccc(OC)c(Nc2cc(C3CC3)[nH+]c(N[C@H](C)CO)n2)c1 ZINC000329007607 534233693 /nfs/dbraw/zinc/23/36/93/534233693.db2.gz LLPXBKYPLKTVII-LLVKDONJSA-N 1 2 372.425 1.529 40 0 FDABLO O=c1[nH]cnc2ccc(NC(=S)N3CCN(c4cccc[nH+]4)CC3)cc21 ZINC000005491578 518346597 /nfs/dbraw/zinc/34/65/97/518346597.db2.gz GFOZFUUJEUUBDE-UHFFFAOYSA-N 1 2 366.450 1.837 40 0 FDABLO CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC(O)(c3ccccn3)CC2)c1 ZINC000012114575 518587518 /nfs/dbraw/zinc/58/75/18/518587518.db2.gz CRCRLQBANYKQKP-UHFFFAOYSA-N 1 2 368.437 1.962 40 0 FDABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@]3(C2)CNC(=O)c2ccccc2O3)no1 ZINC000012087279 518587655 /nfs/dbraw/zinc/58/76/55/518587655.db2.gz DCWFFIXGUUJFGU-IBGZPJMESA-N 1 2 370.409 1.579 40 0 FDABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@]3(C2)CNC(=O)c2ccccc2O3)no1 ZINC000012087279 518587661 /nfs/dbraw/zinc/58/76/61/518587661.db2.gz DCWFFIXGUUJFGU-IBGZPJMESA-N 1 2 370.409 1.579 40 0 FDABLO NC(=O)c1cc2ccccc2nc1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000012221927 518597096 /nfs/dbraw/zinc/59/70/96/518597096.db2.gz ZQRLTFWCMZLVHS-OAHLLOKOSA-N 1 2 363.421 1.936 40 0 FDABLO Cc1csc2nc3n(c(=O)c12)CCN(C(=O)CCCn1cc[nH+]c1)CC3 ZINC000012221605 518597312 /nfs/dbraw/zinc/59/73/12/518597312.db2.gz JTYXCRKESFOCRF-UHFFFAOYSA-N 1 2 371.466 1.828 40 0 FDABLO CC(C)CNC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000052410648 523170239 /nfs/dbraw/zinc/17/02/39/523170239.db2.gz VSYJAVOKVUXNAT-UHFFFAOYSA-N 1 2 354.476 1.400 40 0 FDABLO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)CC)c(N)cc2OC)C1 ZINC000077271173 523282357 /nfs/dbraw/zinc/28/23/57/523282357.db2.gz VWSSPNVLVQHWRB-LBPRGKRZSA-N 1 2 369.487 1.285 40 0 in-vitro FDABLO CC[N@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)CC)c(N)cc2OC)C1 ZINC000077271173 523282367 /nfs/dbraw/zinc/28/23/67/523282367.db2.gz VWSSPNVLVQHWRB-LBPRGKRZSA-N 1 2 369.487 1.285 40 0 in-vitro FDABLO Cn1nccc1C(=O)N1CCC[C@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257328725 534846520 /nfs/dbraw/zinc/84/65/20/534846520.db2.gz XGWBRGASTJLBFR-KRWDZBQOSA-N 1 2 355.442 1.625 40 0 FDABLO CC(C)n1cc[nH+]c1CN1CCOC[C@@H]1c1n[nH]cc1S(C)(=O)=O ZINC000257327701 528605949 /nfs/dbraw/zinc/60/59/49/528605949.db2.gz XCHSPEJVNLTJMT-GFCCVEGCSA-N 1 2 353.448 1.164 40 0 FDABLO CC(C)[N@@H+]1CCN(C(=O)CCCc2c[nH]c3ccccc23)C[C@@H]1C(N)=O ZINC000257221980 529034715 /nfs/dbraw/zinc/03/47/15/529034715.db2.gz DRJVDZWSZMSZTL-GOSISDBHSA-N 1 2 356.470 1.897 40 0 FDABLO CC(C)[N@H+]1CCN(C(=O)CCCc2c[nH]c3ccccc23)C[C@@H]1C(N)=O ZINC000257221980 529034722 /nfs/dbraw/zinc/03/47/22/529034722.db2.gz DRJVDZWSZMSZTL-GOSISDBHSA-N 1 2 356.470 1.897 40 0 FDABLO O=C([C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21)N1CCOCC1 ZINC000247840442 537153371 /nfs/dbraw/zinc/15/33/71/537153371.db2.gz FGEASTXKDKXFGM-MRXNPFEDSA-N 1 2 370.409 1.028 40 0 FDABLO Cc1csc(CN2CC3(C2)C[N@H+](CC2CC2)[C@@H](C(=O)N(C)C)CO3)n1 ZINC000248034746 537164111 /nfs/dbraw/zinc/16/41/11/537164111.db2.gz ULUQYEYSEULWFB-OAHLLOKOSA-N 1 2 364.515 1.205 40 0 FDABLO Cc1csc(CN2CC3(C2)C[N@@H+](CC2CC2)[C@@H](C(=O)N(C)C)CO3)n1 ZINC000248034746 537164113 /nfs/dbraw/zinc/16/41/13/537164113.db2.gz ULUQYEYSEULWFB-OAHLLOKOSA-N 1 2 364.515 1.205 40 0 FDABLO Cc1ccc(N(CC(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)cc1C ZINC000408620682 570586571 /nfs/dbraw/zinc/58/65/71/570586571.db2.gz QLGQCRFZOFDUHT-UHFFFAOYSA-N 1 2 364.471 1.472 40 0 FDABLO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)NC(C)C ZINC000408700767 570653533 /nfs/dbraw/zinc/65/35/33/570653533.db2.gz LNJXXZFUUJYOPL-UHFFFAOYSA-N 1 2 369.487 1.160 40 0 FDABLO CN(C)c1cc(N2C[C@H]3OC[C@@H](CNC(=O)c4ccsc4)[C@H]3C2)nc[nH+]1 ZINC000306133195 529772982 /nfs/dbraw/zinc/77/29/82/529772982.db2.gz METLCCQLRDTBKT-RBSFLKMASA-N 1 2 373.482 1.485 40 0 FDABLO CN(C)c1cc(N2C[C@H]3OC[C@@H](CNC(=O)c4ccsc4)[C@H]3C2)[nH+]cn1 ZINC000306133195 529772984 /nfs/dbraw/zinc/77/29/84/529772984.db2.gz METLCCQLRDTBKT-RBSFLKMASA-N 1 2 373.482 1.485 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)c2cc3cc(F)ccc3n2C)CC[N@@H+]1C(C)C ZINC000257340753 529909269 /nfs/dbraw/zinc/90/92/69/529909269.db2.gz ZHJVOWGHCOZDMX-KRWDZBQOSA-N 1 2 360.433 1.598 40 0 FDABLO CNC(=O)[C@@H]1CN(C(=O)c2cc3cc(F)ccc3n2C)CC[N@H+]1C(C)C ZINC000257340753 529909271 /nfs/dbraw/zinc/90/92/71/529909271.db2.gz ZHJVOWGHCOZDMX-KRWDZBQOSA-N 1 2 360.433 1.598 40 0 FDABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257214905 223023146 /nfs/dbraw/zinc/02/31/46/223023146.db2.gz CNXQNEXTCXJPSD-OALUTQOASA-N 1 2 365.437 1.966 40 0 FDABLO O=C(c1cccc(Cn2ccnc2)c1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257214905 223023151 /nfs/dbraw/zinc/02/31/51/223023151.db2.gz CNXQNEXTCXJPSD-OALUTQOASA-N 1 2 365.437 1.966 40 0 FDABLO Cn1ccc(C(=O)N2CCC[C@H]2c2cccc(C[NH+]3CCOCC3)n2)n1 ZINC000257259085 223040956 /nfs/dbraw/zinc/04/09/56/223040956.db2.gz KWTQOUHXEZQBQK-SFHVURJKSA-N 1 2 355.442 1.625 40 0 FDABLO CCn1nc(C(C)C)cc1C(=O)NC[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257261082 223041106 /nfs/dbraw/zinc/04/11/06/223041106.db2.gz LFQSKGYZTNNNPW-IBGZPJMESA-N 1 2 357.458 1.793 40 0 FDABLO Cc1ccccc1C(=O)NC[C@@]1(O)CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000257274777 223047408 /nfs/dbraw/zinc/04/74/08/223047408.db2.gz NMPDGYGYPIMUCP-IBGZPJMESA-N 1 2 355.442 1.222 40 0 FDABLO Cc1ccccc1C(=O)NC[C@@]1(O)CCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000257274777 223047411 /nfs/dbraw/zinc/04/74/11/223047411.db2.gz NMPDGYGYPIMUCP-IBGZPJMESA-N 1 2 355.442 1.222 40 0 FDABLO Cc1cc(N2CC[C@@](O)(CNC(=O)CCc3ccc(F)cc3)C2)nc[nH+]1 ZINC000257309393 223060755 /nfs/dbraw/zinc/06/07/55/223060755.db2.gz UATLQYFDAKESKK-LJQANCHMSA-N 1 2 358.417 1.614 40 0 FDABLO C[C@@H](C(=O)N1CCN(c2nsc3ccccc32)CC1)[NH+]1CCOCC1 ZINC000019079163 220236378 /nfs/dbraw/zinc/23/63/78/220236378.db2.gz FGLHVHYRPVPJCD-AWEZNQCLSA-N 1 2 360.483 1.666 40 0 FDABLO CCn1cc(C[NH+]2CCN(C(=O)[C@@H](C)n3cc(Cl)cn3)CC2)c(C)n1 ZINC000019524562 220266726 /nfs/dbraw/zinc/26/67/26/220266726.db2.gz FSRKJCWAYRDBDK-CQSZACIVSA-N 1 2 364.881 1.967 40 0 FDABLO CNc1cc([C@@H]2CCCN2C(=O)CNc2ccc3nncn3n2)cc[nH+]1 ZINC000257306723 533052575 /nfs/dbraw/zinc/05/25/75/533052575.db2.gz SVNJYZMVAWRWTG-ZDUSSCGKSA-N 1 2 352.402 1.337 40 0 FDABLO C[N@@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)COc1ccc(F)cc1)CC2 ZINC000019706509 220287254 /nfs/dbraw/zinc/28/72/54/220287254.db2.gz ZCWDSKTUODMKSO-MRXNPFEDSA-N 1 2 373.432 1.648 40 0 FDABLO C[N@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)COc1ccc(F)cc1)CC2 ZINC000019706509 220287261 /nfs/dbraw/zinc/28/72/61/220287261.db2.gz ZCWDSKTUODMKSO-MRXNPFEDSA-N 1 2 373.432 1.648 40 0 FDABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@@H](C(=O)Nc1cccc(F)c1)CC(=O)N2 ZINC000019974100 220309278 /nfs/dbraw/zinc/30/92/78/220309278.db2.gz ZSXUWARRBCJLCN-LBPRGKRZSA-N 1 2 370.388 1.863 40 0 FDABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccccc1)CC(=O)N2 ZINC000020635800 220337539 /nfs/dbraw/zinc/33/75/39/220337539.db2.gz CPPJCULIPIBTKN-LBPRGKRZSA-N 1 2 352.398 1.724 40 0 FDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2N1Cc1ccccn1 ZINC000067897145 221303169 /nfs/dbraw/zinc/30/31/69/221303169.db2.gz ROHKXZBBUIVLSC-MSOLQXFVSA-N 1 2 359.376 1.972 40 0 biogenic,in-vitro FDABLO O=C1CO[C@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]2N1Cc1ccccn1 ZINC000067897145 221303172 /nfs/dbraw/zinc/30/31/72/221303172.db2.gz ROHKXZBBUIVLSC-MSOLQXFVSA-N 1 2 359.376 1.972 40 0 biogenic,in-vitro FDABLO Cc1cc(C)n(CC(=O)N(C)C[C@]2(O)CCCN(c3cccc[nH+]3)C2)n1 ZINC000257216647 132294977 /nfs/dbraw/zinc/29/49/77/132294977.db2.gz CVMXJYQGDJTUEL-LJQANCHMSA-N 1 2 357.458 1.385 40 0 FDABLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000044901258 136121838 /nfs/dbraw/zinc/12/18/38/136121838.db2.gz CGORHGOHSSRIQX-SQNIBIBYSA-N 1 2 368.481 1.839 40 0 FDABLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)c4ccncn4)C[C@@H]3C2)cs1 ZINC000096108145 222026833 /nfs/dbraw/zinc/02/68/33/222026833.db2.gz TWDXFGGSRJBTRL-XJKSGUPXSA-N 1 2 359.455 1.215 40 0 FDABLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)c4ccncn4)C[C@@H]3C2)cs1 ZINC000096108145 222026837 /nfs/dbraw/zinc/02/68/37/222026837.db2.gz TWDXFGGSRJBTRL-XJKSGUPXSA-N 1 2 359.455 1.215 40 0 FDABLO Cc1ccc(C(=O)N2CCOC[C@]3(CC[N@@H+](Cc4nccn4C)C3)C2)o1 ZINC000096062376 222008561 /nfs/dbraw/zinc/00/85/61/222008561.db2.gz FPNMPPPKHFSZTP-IBGZPJMESA-N 1 2 358.442 1.686 40 0 FDABLO Cc1ccc(C(=O)N2CCOC[C@]3(CC[N@H+](Cc4nccn4C)C3)C2)o1 ZINC000096062376 222008563 /nfs/dbraw/zinc/00/85/63/222008563.db2.gz FPNMPPPKHFSZTP-IBGZPJMESA-N 1 2 358.442 1.686 40 0 FDABLO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCC[N@@H+](Cc2nccn2C)C3)nn1 ZINC000096240548 222095675 /nfs/dbraw/zinc/09/56/75/222095675.db2.gz MBWJGWXWYYFDAS-APWZRJJASA-N 1 2 372.473 1.238 40 0 FDABLO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCC[N@H+](Cc2nccn2C)C3)nn1 ZINC000096240548 222095678 /nfs/dbraw/zinc/09/56/78/222095678.db2.gz MBWJGWXWYYFDAS-APWZRJJASA-N 1 2 372.473 1.238 40 0 FDABLO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(Cc2[nH+]ccn2C)C3)nn1 ZINC000096240548 222095680 /nfs/dbraw/zinc/09/56/80/222095680.db2.gz MBWJGWXWYYFDAS-APWZRJJASA-N 1 2 372.473 1.238 40 0 FDABLO CC(C)NC(=O)c1cn(-c2[nH+]c(CN3CCOCC3)c3ccccn32)cn1 ZINC000096267060 222105565 /nfs/dbraw/zinc/10/55/65/222105565.db2.gz RJJJJKRAOCYDHU-UHFFFAOYSA-N 1 2 368.441 1.490 40 0 FDABLO CCCS(=O)(=O)N1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096158810 222058771 /nfs/dbraw/zinc/05/87/71/222058771.db2.gz CVWDYPLCRYLGSV-UHFFFAOYSA-N 1 2 353.488 1.488 40 0 FDABLO CCCS(=O)(=O)N1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096158810 222058772 /nfs/dbraw/zinc/05/87/72/222058772.db2.gz CVWDYPLCRYLGSV-UHFFFAOYSA-N 1 2 353.488 1.488 40 0 FDABLO Cc1cccc(C[N@@H+]2CCO[C@@]3(C2)COCCN(c2cccnc2)C3)n1 ZINC000096229459 222091663 /nfs/dbraw/zinc/09/16/63/222091663.db2.gz QTONPQDBRYUOHR-HXUWFJFHSA-N 1 2 354.454 1.893 40 0 FDABLO Cc1cccc(C[N@H+]2CCO[C@@]3(C2)COCCN(c2cccnc2)C3)n1 ZINC000096229459 222091665 /nfs/dbraw/zinc/09/16/65/222091665.db2.gz QTONPQDBRYUOHR-HXUWFJFHSA-N 1 2 354.454 1.893 40 0 FDABLO Cc1cccc(C[N@@H+]2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)n1 ZINC000096229483 222091983 /nfs/dbraw/zinc/09/19/83/222091983.db2.gz DYTDXKIFNUYHPW-LJQANCHMSA-N 1 2 355.442 1.288 40 0 FDABLO Cc1cccc(C[N@H+]2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)n1 ZINC000096229483 222091985 /nfs/dbraw/zinc/09/19/85/222091985.db2.gz DYTDXKIFNUYHPW-LJQANCHMSA-N 1 2 355.442 1.288 40 0 FDABLO Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2nnc3n2CCCC3)no1 ZINC000329944386 259119131 /nfs/dbraw/zinc/11/91/31/259119131.db2.gz IJIPJXVQGLCKAN-KBPBESRZSA-N 1 2 363.441 1.350 40 0 FDABLO Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2nnc3n2CCCC3)no1 ZINC000329944386 259119132 /nfs/dbraw/zinc/11/91/32/259119132.db2.gz IJIPJXVQGLCKAN-KBPBESRZSA-N 1 2 363.441 1.350 40 0 FDABLO CC(C)CN1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@@H]1C[C@@H](O)C[N@H+]12 ZINC000514290278 263776624 /nfs/dbraw/zinc/77/66/24/263776624.db2.gz WCECJHBNPNJKII-RBUKOAKNSA-N 1 2 357.498 1.217 40 0 biogenic,in-vitro FDABLO CC(C)CN1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@@H]1C[C@@H](O)C[N@@H+]12 ZINC000514290278 263776626 /nfs/dbraw/zinc/77/66/26/263776626.db2.gz WCECJHBNPNJKII-RBUKOAKNSA-N 1 2 357.498 1.217 40 0 biogenic,in-vitro FDABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2C(=O)CN2CCOCC2)c1 ZINC000257253316 533804914 /nfs/dbraw/zinc/80/49/14/533804914.db2.gz JYKQXUUQSKXHLA-QGZVFWFLSA-N 1 2 356.426 1.307 40 0 FDABLO OCCCNc1nc(NCc2ccccc2F)cc(-c2cccnc2)[nH+]1 ZINC000329015449 534362749 /nfs/dbraw/zinc/36/27/49/534362749.db2.gz NBEDEHISASICNP-UHFFFAOYSA-N 1 2 353.401 1.928 40 0 FDABLO NC(=O)c1cc2ccccc2nc1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000012221928 518598403 /nfs/dbraw/zinc/59/84/03/518598403.db2.gz ZQRLTFWCMZLVHS-HNNXBMFYSA-N 1 2 363.421 1.936 40 0 FDABLO Cc1nc2ccccn2c1C[NH2+]Cc1cc(=O)[nH]c(N2CCOCC2)n1 ZINC000019555035 518816051 /nfs/dbraw/zinc/81/60/51/518816051.db2.gz CPXQZKQPBYEPGS-UHFFFAOYSA-N 1 2 354.414 1.265 40 0 FDABLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000024243195 518982978 /nfs/dbraw/zinc/98/29/78/518982978.db2.gz RPOJWUZLQLMWQJ-WCXIOVBPSA-N 1 2 364.534 1.164 40 0 FDABLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000024243195 518982987 /nfs/dbraw/zinc/98/29/87/518982987.db2.gz RPOJWUZLQLMWQJ-WCXIOVBPSA-N 1 2 364.534 1.164 40 0 FDABLO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCC[NH+]1CCOCC1 ZINC000027773320 519196706 /nfs/dbraw/zinc/19/67/06/519196706.db2.gz DRMVIPGTTUGWQX-UHFFFAOYSA-N 1 2 364.833 1.771 40 0 FDABLO COc1ccc(Nc2nc(NCCCO)[nH+]c(N3CCOCC3)n2)cc1 ZINC000032603965 519517564 /nfs/dbraw/zinc/51/75/64/519517564.db2.gz KZIKVZOPVPBONZ-UHFFFAOYSA-N 1 2 360.418 1.255 40 0 FDABLO Cc1[nH+]cc(-c2cncc([C@H]3CCCN(C(=O)c4ccn(C)n4)C3)n2)n1C ZINC000257332523 534722828 /nfs/dbraw/zinc/72/28/28/534722828.db2.gz XXQZHGPWBBSOMR-AWEZNQCLSA-N 1 2 365.441 1.939 40 0 FDABLO O=S(=O)(c1ccc(F)cc1)N1CC[C@@]2(C[C@@H](n3cc[nH+]c3)CO2)C1 ZINC000107786266 525920783 /nfs/dbraw/zinc/92/07/83/525920783.db2.gz UUKPOZLZXYSINW-GDBMZVCRSA-N 1 2 351.403 1.817 40 0 FDABLO Cc1ccsc1S(=O)(=O)N1CC[C@@H]2OCC[N@H+](CC3CC3)[C@H]2C1 ZINC000108534741 525980777 /nfs/dbraw/zinc/98/07/77/525980777.db2.gz JYSFIUKIDCOSEW-GJZGRUSLSA-N 1 2 356.513 1.930 40 0 FDABLO Cc1ccsc1S(=O)(=O)N1CC[C@@H]2OCC[N@@H+](CC3CC3)[C@H]2C1 ZINC000108534741 525980780 /nfs/dbraw/zinc/98/07/80/525980780.db2.gz JYSFIUKIDCOSEW-GJZGRUSLSA-N 1 2 356.513 1.930 40 0 FDABLO Cc1cccc(COC[C@H]2CCS(=O)(=O)C23C[NH+](C2CCC2)C3)n1 ZINC000247863453 537154447 /nfs/dbraw/zinc/15/44/47/537154447.db2.gz HFWYVZJNAXEIJU-OAHLLOKOSA-N 1 2 350.484 1.948 40 0 FDABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@H]3COCC(=O)N2CCCC2)n1 ZINC000247896962 537156736 /nfs/dbraw/zinc/15/67/36/537156736.db2.gz XWGPBVBZNQJASK-KRWDZBQOSA-N 1 2 359.470 1.620 40 0 FDABLO COC[C@@H]1CN(S(C)(=O)=O)CC12CC[NH+](Cc1cc(C)on1)CC2 ZINC000247954425 537159021 /nfs/dbraw/zinc/15/90/21/537159021.db2.gz ZLZNZEZJVGIKJC-AWEZNQCLSA-N 1 2 357.476 1.103 40 0 FDABLO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000248076046 537165413 /nfs/dbraw/zinc/16/54/13/537165413.db2.gz ZDXSZWLGRYUQOI-AWEZNQCLSA-N 1 2 356.426 1.773 40 0 FDABLO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000248076046 537165414 /nfs/dbraw/zinc/16/54/14/537165414.db2.gz ZDXSZWLGRYUQOI-AWEZNQCLSA-N 1 2 356.426 1.773 40 0 FDABLO Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223149447 537519507 /nfs/dbraw/zinc/51/95/07/537519507.db2.gz DDQLVLCESROZFA-ZWKOTPCHSA-N 1 2 371.510 1.725 40 0 FDABLO Cc1ccc(NC(=O)c2cccnc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225432484 537548280 /nfs/dbraw/zinc/54/82/80/537548280.db2.gz XWUMURHGGIPCMC-UHFFFAOYSA-N 1 2 374.466 1.578 40 0 FDABLO C[C@@H]1C[C@@H]1C(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCCc2cccs2)C1 ZINC000585096098 551568970 /nfs/dbraw/zinc/56/89/70/551568970.db2.gz QQQHDRYOTUMUEB-UHOFOFEASA-N 1 2 358.467 1.843 40 0 FDABLO O=S1(=O)CC[C@H](COc2ncccn2)C12C[NH+](CC1CCCC1)C2 ZINC000585103594 551571177 /nfs/dbraw/zinc/57/11/77/551571177.db2.gz PSKPRIKVXHBQNP-OAHLLOKOSA-N 1 2 351.472 1.535 40 0 FDABLO CCS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3scnc3C)C2)OC1 ZINC000585103670 551571627 /nfs/dbraw/zinc/57/16/27/551571627.db2.gz CMOOGFHDUOQWHM-CYBMUJFWSA-N 1 2 359.517 1.372 40 0 FDABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)N3CC(F)(F)C3)C2)o1 ZINC000585110875 551573588 /nfs/dbraw/zinc/57/35/88/551573588.db2.gz SBOWIUYVIMCJMF-ZDUSSCGKSA-N 1 2 350.369 1.898 40 0 FDABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)N3CC(F)(F)C3)C2)o1 ZINC000585110875 551573590 /nfs/dbraw/zinc/57/35/90/551573590.db2.gz SBOWIUYVIMCJMF-ZDUSSCGKSA-N 1 2 350.369 1.898 40 0 FDABLO COC[C@]1(CC(=O)N(C)C)C[N@H+](Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000585276800 551577452 /nfs/dbraw/zinc/57/74/52/551577452.db2.gz JGCWLUDZNPQMBC-SFHVURJKSA-N 1 2 352.479 1.403 40 0 FDABLO COC[C@]1(CC(=O)N(C)C)C[N@@H+](Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000585276800 551577453 /nfs/dbraw/zinc/57/74/53/551577453.db2.gz JGCWLUDZNPQMBC-SFHVURJKSA-N 1 2 352.479 1.403 40 0 FDABLO CC(C)CN1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@H]1C[C@@H](O)C[N@H+]12 ZINC000514290279 560029999 /nfs/dbraw/zinc/02/99/99/560029999.db2.gz WCECJHBNPNJKII-RTBURBONSA-N 1 2 357.498 1.217 40 0 biogenic,in-vitro FDABLO CC(C)CN1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@H]1C[C@@H](O)C[N@@H+]12 ZINC000514290279 560030001 /nfs/dbraw/zinc/03/00/01/560030001.db2.gz WCECJHBNPNJKII-RTBURBONSA-N 1 2 357.498 1.217 40 0 biogenic,in-vitro FDABLO CC(C)(C)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2cccnc2)n1 ZINC000329034771 571128621 /nfs/dbraw/zinc/12/86/21/571128621.db2.gz QZSGABPMOYMXQR-UHFFFAOYSA-N 1 2 356.474 2.493 40 0 FDABLO Cn1nccc1C(=O)N1Cc2c[nH+]cn2[C@@H](COCc2ccccn2)C1 ZINC000306122995 571212801 /nfs/dbraw/zinc/21/28/01/571212801.db2.gz ABTBZQIGPRLJNH-MRXNPFEDSA-N 1 2 352.398 1.426 40 0 FDABLO CN(C)c1nccnc1[C@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)CCO1 ZINC000257211475 529816427 /nfs/dbraw/zinc/81/64/27/529816427.db2.gz BYZWQBLLMVQPEF-QGZVFWFLSA-N 1 2 356.426 1.887 40 0 FDABLO CN(C)c1nccnc1[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)CCO1 ZINC000257211475 529816428 /nfs/dbraw/zinc/81/64/28/529816428.db2.gz BYZWQBLLMVQPEF-QGZVFWFLSA-N 1 2 356.426 1.887 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)c2cc3c(cccc3OC)[nH]2)CC[N@@H+]1C(C)C ZINC000257229308 529927868 /nfs/dbraw/zinc/92/78/68/529927868.db2.gz FXOWJWNOLUTKDM-MRXNPFEDSA-N 1 2 358.442 1.457 40 0 FDABLO CNC(=O)[C@H]1CN(C(=O)c2cc3c(cccc3OC)[nH]2)CC[N@H+]1C(C)C ZINC000257229308 529927869 /nfs/dbraw/zinc/92/78/69/529927869.db2.gz FXOWJWNOLUTKDM-MRXNPFEDSA-N 1 2 358.442 1.457 40 0 FDABLO C[NH+](C)Cc1cncc([C@@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)n1 ZINC000257340502 223072390 /nfs/dbraw/zinc/07/23/90/223072390.db2.gz ZGKSANMNFHOUSI-KRWDZBQOSA-N 1 2 351.414 1.787 40 0 FDABLO Cn1cc2c(n1)[C@@]1(CCN(S(C)(=O)=O)C1)C[N@@H+](Cc1ccccc1)C2 ZINC000306123575 223105406 /nfs/dbraw/zinc/10/54/06/223105406.db2.gz AQQFHTNOVJNUAZ-SFHVURJKSA-N 1 2 360.483 1.339 40 0 FDABLO Cn1cc2c(n1)[C@@]1(CCN(S(C)(=O)=O)C1)C[N@H+](Cc1ccccc1)C2 ZINC000306123575 223105408 /nfs/dbraw/zinc/10/54/08/223105408.db2.gz AQQFHTNOVJNUAZ-SFHVURJKSA-N 1 2 360.483 1.339 40 0 FDABLO CC(=O)OCC/C(SC(C)=O)=C(\C)N(C=O)Cc1c[nH+]c(C)nc1N ZINC000017106324 220205230 /nfs/dbraw/zinc/20/52/30/220205230.db2.gz ISIPQAHMLLFSFR-GDNBJRDFSA-N 1 2 366.443 1.790 40 0 FDABLO C[C@@H](Cn1cncn1)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000019457896 220262004 /nfs/dbraw/zinc/26/20/04/220262004.db2.gz ZLDPDYLBGSJSBA-HNNXBMFYSA-N 1 2 359.430 1.264 40 0 FDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(-c4cnccn4)nc3C2)c(F)c1 ZINC000019551785 220270320 /nfs/dbraw/zinc/27/03/20/220270320.db2.gz WNTMKAZOGQOTTQ-UHFFFAOYSA-N 1 2 367.384 1.933 40 0 FDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(-c4cnccn4)nc3C2)c(F)c1 ZINC000019551785 220270324 /nfs/dbraw/zinc/27/03/24/220270324.db2.gz WNTMKAZOGQOTTQ-UHFFFAOYSA-N 1 2 367.384 1.933 40 0 FDABLO CNc1nc([C@H]2CCCN(C(=O)c3cccnc3)C2)nc2c1C[N@H+](C)CC2 ZINC000019753246 220293193 /nfs/dbraw/zinc/29/31/93/220293193.db2.gz FUFSROXJWUGJDK-HNNXBMFYSA-N 1 2 366.469 1.921 40 0 FDABLO CNc1nc([C@H]2CCCN(C(=O)c3cccnc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019753246 220293196 /nfs/dbraw/zinc/29/31/96/220293196.db2.gz FUFSROXJWUGJDK-HNNXBMFYSA-N 1 2 366.469 1.921 40 0 FDABLO O=C(c1cccc2cccnc21)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000019711260 220287774 /nfs/dbraw/zinc/28/77/74/220287774.db2.gz XKFPLDJIHDJPSJ-UHFFFAOYSA-N 1 2 362.437 1.949 40 0 FDABLO O=C(c1nccc2ccccc21)N1CCC[C@H](c2nnc3n2CC[NH2+]C3)C1 ZINC000019710987 220288534 /nfs/dbraw/zinc/28/85/34/220288534.db2.gz FCNJXWPYQXQIAV-HNNXBMFYSA-N 1 2 362.437 1.949 40 0 FDABLO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(-n2cnnn2)cc1 ZINC000057711285 136130043 /nfs/dbraw/zinc/13/00/43/136130043.db2.gz ODTRXXAQUAWYTB-UHFFFAOYSA-N 1 2 363.425 1.423 40 0 FDABLO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000081048017 172182493 /nfs/dbraw/zinc/18/24/93/172182493.db2.gz XWDSRCUHRIVCSH-ZDUSSCGKSA-N 1 2 352.378 1.436 40 0 FDABLO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000081048017 172182495 /nfs/dbraw/zinc/18/24/95/172182495.db2.gz XWDSRCUHRIVCSH-ZDUSSCGKSA-N 1 2 352.378 1.436 40 0 FDABLO CNC(=O)c1cc2c([nH+]c1NCC1CC1)CCN(c1ncc(C)cn1)CC2 ZINC000096260551 222103863 /nfs/dbraw/zinc/10/38/63/222103863.db2.gz LORVHQWKHCFVHK-UHFFFAOYSA-N 1 2 366.469 1.967 40 0 FDABLO CN(CC1CC1)c1ccc2ccc(C(=O)NCC[NH+]3CCOCC3)cn21 ZINC000096264109 222104402 /nfs/dbraw/zinc/10/44/02/222104402.db2.gz DGMQLEXFSYPXSM-UHFFFAOYSA-N 1 2 356.470 1.848 40 0 FDABLO O=C(c1ccoc1)N1CCOC[C@]2(CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC000096160293 222060261 /nfs/dbraw/zinc/06/02/61/222060261.db2.gz RWTYGNGLAUITAZ-WMZOPIPTSA-N 1 2 350.415 1.002 40 0 FDABLO Cc1cc(C(=O)N2Cc3c[nH+]cn3C[C@@H](COc3ccccn3)C2)on1 ZINC000096208935 222078393 /nfs/dbraw/zinc/07/83/93/222078393.db2.gz YDDNQRLBGGMITN-AWEZNQCLSA-N 1 2 353.382 1.926 40 0 FDABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2cnccn2)CCO3)no1 ZINC000096209815 222080677 /nfs/dbraw/zinc/08/06/77/222080677.db2.gz MSCOOPOGXPIWRF-KBXCAEBGSA-N 1 2 357.414 1.327 40 0 FDABLO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2cnccn2)CCO3)no1 ZINC000096209815 222080681 /nfs/dbraw/zinc/08/06/81/222080681.db2.gz MSCOOPOGXPIWRF-KBXCAEBGSA-N 1 2 357.414 1.327 40 0 FDABLO C[C@@H](CO)Nc1nc(NCc2ccccc2F)cc(-c2ccncc2)[nH+]1 ZINC000328993780 534128077 /nfs/dbraw/zinc/12/80/77/534128077.db2.gz JBSJMDYUPRPOAM-ZDUSSCGKSA-N 1 2 353.401 1.926 40 0 FDABLO Cc1noc(C)c1CC(=O)N(C)C[C@@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000257321227 534331103 /nfs/dbraw/zinc/33/11/03/534331103.db2.gz WARLKKAPDAWZTR-SFHVURJKSA-N 1 2 359.430 1.032 40 0 FDABLO O=C(C[NH+]1CCC(O)(Cn2cnc3ccccc32)CC1)Nc1nccs1 ZINC000012128190 518588176 /nfs/dbraw/zinc/58/81/76/518588176.db2.gz BMIRUMMMNYTILK-UHFFFAOYSA-N 1 2 371.466 1.958 40 0 FDABLO CC(=O)Nc1ccc(NC(=O)CN2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000023089579 518928750 /nfs/dbraw/zinc/92/87/50/518928750.db2.gz PQQBEQWKTAGQBX-UHFFFAOYSA-N 1 2 367.453 1.796 40 0 FDABLO CCc1nn(CC(=O)NCCCn2cc[nH+]c2)c(=O)c2cc3occc3n21 ZINC000072346403 522220735 /nfs/dbraw/zinc/22/07/35/522220735.db2.gz GTHKZZKXFYRGBE-UHFFFAOYSA-N 1 2 368.397 1.208 40 0 FDABLO Cn1c(=O)c2ccc([C@H]3C[N@H+](Cc4ccccc4)CCO3)nc2n(C)c1=O ZINC000257218004 534668926 /nfs/dbraw/zinc/66/89/26/534668926.db2.gz DBMIZBAZEWTZPH-QGZVFWFLSA-N 1 2 366.421 1.206 40 0 FDABLO Cn1c(=O)c2ccc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)nc2n(C)c1=O ZINC000257218004 534668932 /nfs/dbraw/zinc/66/89/32/534668932.db2.gz DBMIZBAZEWTZPH-QGZVFWFLSA-N 1 2 366.421 1.206 40 0 FDABLO Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257259218 534676539 /nfs/dbraw/zinc/67/65/39/534676539.db2.gz KXJKMVGHRROBAS-SZVBFZGTSA-N 1 2 353.426 1.812 40 0 FDABLO CC(C)c1nnc(CCC(=O)NC[C@@]2(O)CCN(c3cccc[nH+]3)C2)o1 ZINC000257302519 528415839 /nfs/dbraw/zinc/41/58/39/528415839.db2.gz SDEYXNADBORQGS-SFHVURJKSA-N 1 2 359.430 1.278 40 0 FDABLO CCCCCCNc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC000004866492 534996796 /nfs/dbraw/zinc/99/67/96/534996796.db2.gz CGQIAZYETUFFIC-UHFFFAOYSA-N 1 2 350.467 1.537 40 0 FDABLO Cc1cccc(COC[C@H]2CN(C(=O)c3cocn3)Cc3c[nH+]cn32)n1 ZINC000247874903 537155630 /nfs/dbraw/zinc/15/56/30/537155630.db2.gz NNVTVRQBCSUJOO-MRXNPFEDSA-N 1 2 353.382 1.988 40 0 FDABLO Cn1nccc1C(=O)NCC[C@H]1CCOC12C[NH+](Cc1ccsc1)C2 ZINC000248018130 537162840 /nfs/dbraw/zinc/16/28/40/537162840.db2.gz GZPOEUFXFQBANZ-HNNXBMFYSA-N 1 2 360.483 1.893 40 0 FDABLO Cn1cccc1C(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccccn3)C2)OC1 ZINC000248084355 537166232 /nfs/dbraw/zinc/16/62/32/537166232.db2.gz BAVNRQLEWYHLMT-INIZCTEOSA-N 1 2 354.454 1.831 40 0 FDABLO CCS(=O)(=O)NC[C@H]1CN(Cc2ccc(C)s2)Cc2c[nH+]cn21 ZINC000248095207 537166395 /nfs/dbraw/zinc/16/63/95/537166395.db2.gz MLOLZENMVFSYHU-AWEZNQCLSA-N 1 2 354.501 1.749 40 0 FDABLO Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223162445 537518952 /nfs/dbraw/zinc/51/89/52/537518952.db2.gz CYZGOOIVXCNJCU-MSOLQXFVSA-N 1 2 371.510 1.725 40 0 FDABLO CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCCn2cc[nH+]c2)s1 ZINC000224255187 537539925 /nfs/dbraw/zinc/53/99/25/537539925.db2.gz DDXNTLHSIDCTNF-UHFFFAOYSA-N 1 2 372.476 1.088 40 0 FDABLO CCC(=O)N1CCc2cc(S(=O)(=O)NCCCn3cc[nH+]c3)ccc21 ZINC000224665583 537542703 /nfs/dbraw/zinc/54/27/03/537542703.db2.gz VDJATHPDMIMKCZ-UHFFFAOYSA-N 1 2 362.455 1.551 40 0 FDABLO CS(=O)(=O)CC[C@H]([NH3+])c1nc([C@H](c2ccco2)n2cccc2)no1 ZINC000409442578 537850735 /nfs/dbraw/zinc/85/07/35/537850735.db2.gz XNBMDVYREYVGCN-AAEUAGOBSA-N 1 2 350.400 1.536 40 0 FDABLO O=S1(=O)C[C@H]([N@H+](CCO)C(c2ccccc2)c2ccccc2)[C@H](O)C1 ZINC000575419596 550462010 /nfs/dbraw/zinc/46/20/10/550462010.db2.gz WUENSFWFGUZHKF-ZWKOTPCHSA-N 1 2 361.463 1.228 40 0 FDABLO O=S1(=O)C[C@H]([N@@H+](CCO)C(c2ccccc2)c2ccccc2)[C@H](O)C1 ZINC000575419596 550462012 /nfs/dbraw/zinc/46/20/12/550462012.db2.gz WUENSFWFGUZHKF-ZWKOTPCHSA-N 1 2 361.463 1.228 40 0 FDABLO Cc1ccnc(OC[C@H]2Cc3c([nH+]cn3C)CN2C(=O)c2cocn2)n1 ZINC000585094677 551568383 /nfs/dbraw/zinc/56/83/83/551568383.db2.gz GYNZTHVMRYXHHO-GFCCVEGCSA-N 1 2 354.370 1.153 40 0 FDABLO CCOC[C@@H]1CC[N@H+](C)C2(CN(S(=O)(=O)c3cccc(OC)c3)C2)C1 ZINC000585103749 551571379 /nfs/dbraw/zinc/57/13/79/551571379.db2.gz ZSHNIRSUBQXJLE-OAHLLOKOSA-N 1 2 368.499 1.817 40 0 FDABLO CCOC[C@@H]1CC[N@@H+](C)C2(CN(S(=O)(=O)c3cccc(OC)c3)C2)C1 ZINC000585103749 551571382 /nfs/dbraw/zinc/57/13/82/551571382.db2.gz ZSHNIRSUBQXJLE-OAHLLOKOSA-N 1 2 368.499 1.817 40 0 FDABLO CCS(=O)(=O)NCC[C@H]1CCOC12C[NH+](Cc1ccc(OC)cc1)C2 ZINC000585102831 551571404 /nfs/dbraw/zinc/57/14/04/551571404.db2.gz JVVRINHELLISCU-INIZCTEOSA-N 1 2 368.499 1.616 40 0 FDABLO CO[C@]1(COc2ccccc2)CCCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000585291158 551580410 /nfs/dbraw/zinc/58/04/10/551580410.db2.gz LVLOSDUFNSDIFG-AEVNEEFTSA-N 1 2 374.481 1.961 40 0 FDABLO COc1cc([C@H]2NC(=O)CC[NH2+]2)cc(I)c1OC ZINC000408738669 570684905 /nfs/dbraw/zinc/68/49/05/570684905.db2.gz UPECHAJCEHNUSK-GFCCVEGCSA-N 1 2 362.167 1.417 40 0 FDABLO Cc1[nH+]cc(-c2cccc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)n1C ZINC000257322382 223065323 /nfs/dbraw/zinc/06/53/23/223065323.db2.gz WFTGEFRBXWWKJW-CQSZACIVSA-N 1 2 363.487 1.776 40 0 FDABLO COCCn1cc(C(=O)N2CC[N@H+](C(C)C)[C@H](C(N)=O)C2)c2ccccc21 ZINC000257325107 223065800 /nfs/dbraw/zinc/06/58/00/223065800.db2.gz WRMQTIFGFFIUST-SFHVURJKSA-N 1 2 372.469 1.308 40 0 FDABLO COCCn1cc(C(=O)N2CC[N@@H+](C(C)C)[C@H](C(N)=O)C2)c2ccccc21 ZINC000257325107 223065803 /nfs/dbraw/zinc/06/58/03/223065803.db2.gz WRMQTIFGFFIUST-SFHVURJKSA-N 1 2 372.469 1.308 40 0 FDABLO C[C@@]1(C(=O)NCC2CCOCC2)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000257342537 223073790 /nfs/dbraw/zinc/07/37/90/223073790.db2.gz ZPBRLMLIQZGYGR-LJQANCHMSA-N 1 2 362.474 1.445 40 0 FDABLO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](CNC(=O)c3cnccn3)C2)o1 ZINC000306135631 223109746 /nfs/dbraw/zinc/10/97/46/223109746.db2.gz OWHCPCBKTWRYGM-HNNXBMFYSA-N 1 2 366.425 1.637 40 0 FDABLO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@@H](CNC(=O)c3cnccn3)C2)o1 ZINC000306135631 223109750 /nfs/dbraw/zinc/10/97/50/223109750.db2.gz OWHCPCBKTWRYGM-HNNXBMFYSA-N 1 2 366.425 1.637 40 0 FDABLO Cn1c[nH+]c([C@@H]2CN(C(=O)c3ccco3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306139087 223112829 /nfs/dbraw/zinc/11/28/29/223112829.db2.gz SOZCOHNWEXRMDC-YWZLYKJASA-N 1 2 368.437 1.881 40 0 FDABLO COc1ccccc1C[N@H+]1Cc2ccnn2[C@H](C(=O)N2CC(F)(F)C2)C1 ZINC000306141712 223113239 /nfs/dbraw/zinc/11/32/39/223113239.db2.gz WELAOWFRZHRDBP-HNNXBMFYSA-N 1 2 362.380 1.926 40 0 FDABLO COc1ccccc1C[N@@H+]1Cc2ccnn2[C@H](C(=O)N2CC(F)(F)C2)C1 ZINC000306141712 223113243 /nfs/dbraw/zinc/11/32/43/223113243.db2.gz WELAOWFRZHRDBP-HNNXBMFYSA-N 1 2 362.380 1.926 40 0 FDABLO C[C@H](CO)Nc1nc(NCCc2ccncc2)cc(-c2cccnc2)[nH+]1 ZINC000329051439 223131435 /nfs/dbraw/zinc/13/14/35/223131435.db2.gz UXGGOOYGSIZACK-CQSZACIVSA-N 1 2 350.426 1.225 40 0 FDABLO COCCC(=O)N1CCCC[C@H]1c1nc2c(c(N(C)C)n1)C[N@H+](C)CC2 ZINC000019752343 220293052 /nfs/dbraw/zinc/29/30/52/220293052.db2.gz DWZTVQNZPCBYID-INIZCTEOSA-N 1 2 361.490 1.621 40 0 FDABLO COCCC(=O)N1CCCC[C@H]1c1nc2c(c(N(C)C)n1)C[N@@H+](C)CC2 ZINC000019752343 220293055 /nfs/dbraw/zinc/29/30/55/220293055.db2.gz DWZTVQNZPCBYID-INIZCTEOSA-N 1 2 361.490 1.621 40 0 FDABLO Cc1nc(C)c(C(=O)N2CCc3nnc([C@H]4CCCC[N@H+]4C)n3CC2)o1 ZINC000019706314 220285920 /nfs/dbraw/zinc/28/59/20/220285920.db2.gz KVSGGCKFAIJLMT-CQSZACIVSA-N 1 2 358.446 1.738 40 0 FDABLO Cc1nc(C)c(C(=O)N2CCc3nnc([C@H]4CCCC[N@@H+]4C)n3CC2)o1 ZINC000019706314 220285923 /nfs/dbraw/zinc/28/59/23/220285923.db2.gz KVSGGCKFAIJLMT-CQSZACIVSA-N 1 2 358.446 1.738 40 0 FDABLO CNc1nc([C@@H]2CCCCN2C(=O)C(C)(C)OC)nc2c1C[N@H+](C)CC2 ZINC000019711588 220289053 /nfs/dbraw/zinc/28/90/53/220289053.db2.gz ONYVRPZAWLDNEC-HNNXBMFYSA-N 1 2 361.490 1.985 40 0 FDABLO CNc1nc([C@@H]2CCCCN2C(=O)C(C)(C)OC)nc2c1C[N@@H+](C)CC2 ZINC000019711588 220289060 /nfs/dbraw/zinc/28/90/60/220289060.db2.gz ONYVRPZAWLDNEC-HNNXBMFYSA-N 1 2 361.490 1.985 40 0 FDABLO CC(C)c1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)nn2cnnc12 ZINC000019716269 220290726 /nfs/dbraw/zinc/29/07/26/220290726.db2.gz CFYOOIVOLSQJHD-MRXNPFEDSA-N 1 2 360.462 1.334 40 0 FDABLO Cc1c(C[N@@H+]2CCO[C@H](C(=O)N3CCc4ccccc4C3)C2)cnn1C ZINC000019745618 220290903 /nfs/dbraw/zinc/29/09/03/220290903.db2.gz HCJPLRDSYASXSV-IBGZPJMESA-N 1 2 354.454 1.514 40 0 FDABLO Cc1c(C[N@H+]2CCO[C@H](C(=O)N3CCc4ccccc4C3)C2)cnn1C ZINC000019745618 220290908 /nfs/dbraw/zinc/29/09/08/220290908.db2.gz HCJPLRDSYASXSV-IBGZPJMESA-N 1 2 354.454 1.514 40 0 FDABLO COc1cccc(C[N@H+]2Cc3ncnn3C[C@H](C(=O)N3CCCC3)C2)c1 ZINC000306139342 533486302 /nfs/dbraw/zinc/48/63/02/533486302.db2.gz SUYLSBCNBAIJGA-MRXNPFEDSA-N 1 2 355.442 1.541 40 0 FDABLO COc1cccc(C[N@@H+]2Cc3ncnn3C[C@H](C(=O)N3CCCC3)C2)c1 ZINC000306139342 533486310 /nfs/dbraw/zinc/48/63/10/533486310.db2.gz SUYLSBCNBAIJGA-MRXNPFEDSA-N 1 2 355.442 1.541 40 0 FDABLO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@H+](Cc1nccs1)C2 ZINC000096050189 132217665 /nfs/dbraw/zinc/21/76/65/132217665.db2.gz JTSSLRJUTFIOMI-SFHVURJKSA-N 1 2 371.466 1.378 40 0 FDABLO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@@H+](Cc1nccs1)C2 ZINC000096050189 132217666 /nfs/dbraw/zinc/21/76/66/132217666.db2.gz JTSSLRJUTFIOMI-SFHVURJKSA-N 1 2 371.466 1.378 40 0 FDABLO Cn1cc[nH+]c1CN1CCOC[C@@]2(CN(c3cccc(F)c3)C(=O)CO2)C1 ZINC000096240118 132223492 /nfs/dbraw/zinc/22/34/92/132223492.db2.gz JZNWDPQNSFTQCZ-IBGZPJMESA-N 1 2 374.416 1.194 40 0 FDABLO Cn1ccnc1C[N@@H+]1CCOC[C@@]2(CN(c3cccc(F)c3)C(=O)CO2)C1 ZINC000096240118 132223493 /nfs/dbraw/zinc/22/34/93/132223493.db2.gz JZNWDPQNSFTQCZ-IBGZPJMESA-N 1 2 374.416 1.194 40 0 FDABLO Cn1ccnc1C[N@H+]1CCOC[C@@]2(CN(c3cccc(F)c3)C(=O)CO2)C1 ZINC000096240118 132223495 /nfs/dbraw/zinc/22/34/95/132223495.db2.gz JZNWDPQNSFTQCZ-IBGZPJMESA-N 1 2 374.416 1.194 40 0 FDABLO CN(C)c1cc(N2CCC[C@](O)(CNC(=O)c3ccccc3)C2)nc[nH+]1 ZINC000257331014 132297310 /nfs/dbraw/zinc/29/73/10/132297310.db2.gz XQZZQBHKNPLFOK-IBGZPJMESA-N 1 2 355.442 1.304 40 0 FDABLO CN(C)c1cc(N2CCC[C@](O)(CNC(=O)c3ccccc3)C2)[nH+]cn1 ZINC000257331014 132297311 /nfs/dbraw/zinc/29/73/11/132297311.db2.gz XQZZQBHKNPLFOK-IBGZPJMESA-N 1 2 355.442 1.304 40 0 FDABLO Cn1cc[nH+]c1CN1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC000096240198 222096018 /nfs/dbraw/zinc/09/60/18/222096018.db2.gz KRIJQGHRMJBRNN-KRWDZBQOSA-N 1 2 362.455 1.116 40 0 FDABLO Cn1ccnc1C[N@@H+]1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC000096240198 222096022 /nfs/dbraw/zinc/09/60/22/222096022.db2.gz KRIJQGHRMJBRNN-KRWDZBQOSA-N 1 2 362.455 1.116 40 0 FDABLO Cn1ccnc1C[N@H+]1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC000096240198 222096026 /nfs/dbraw/zinc/09/60/26/222096026.db2.gz KRIJQGHRMJBRNN-KRWDZBQOSA-N 1 2 362.455 1.116 40 0 FDABLO CC(=O)N1CC2(CC[NH+](Cc3nccs3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000097952878 222217649 /nfs/dbraw/zinc/21/76/49/222217649.db2.gz IGCYSJJZIAILFQ-SFHVURJKSA-N 1 2 362.499 1.436 40 0 FDABLO COc1ccc(C)cc1N1C(=O)C[C@H]([NH+]2CCC3(CC2)OCCO3)C1=O ZINC000104278644 222354251 /nfs/dbraw/zinc/35/42/51/222354251.db2.gz MXPCXTACLPWDBM-HNNXBMFYSA-N 1 2 360.410 1.474 40 0 FDABLO Cc1noc2ncc(S(=O)(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc12 ZINC000329892741 259116317 /nfs/dbraw/zinc/11/63/17/259116317.db2.gz JDSAKGNBVGMXEF-NHYWBVRUSA-N 1 2 361.427 2.000 40 0 FDABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)C1 ZINC000017076559 263372190 /nfs/dbraw/zinc/37/21/90/263372190.db2.gz ZPAVNLDTZBCRBP-TZMCWYRMSA-N 1 2 374.393 1.322 40 0 FDABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)C1 ZINC000017076559 263372191 /nfs/dbraw/zinc/37/21/91/263372191.db2.gz ZPAVNLDTZBCRBP-TZMCWYRMSA-N 1 2 374.393 1.322 40 0 FDABLO CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(O)(c3ccccn3)CC2)cc1 ZINC000012114361 518587675 /nfs/dbraw/zinc/58/76/75/518587675.db2.gz MUJFRNGHZNHEJI-UHFFFAOYSA-N 1 2 368.437 1.962 40 0 FDABLO CCOC(=O)C[NH+]1CCC(O)(Cn2c(CC)nc3ccccc3c2=O)CC1 ZINC000012187001 518594023 /nfs/dbraw/zinc/59/40/23/518594023.db2.gz NAWSTBFFKMYJPN-UHFFFAOYSA-N 1 2 373.453 1.349 40 0 FDABLO CC[N@@H+]1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 ZINC000019694936 518824024 /nfs/dbraw/zinc/82/40/24/518824024.db2.gz KCCZFCNEZHAINZ-MRXNPFEDSA-N 1 2 355.442 1.702 40 0 FDABLO CC[N@H+]1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 ZINC000019694936 518824030 /nfs/dbraw/zinc/82/40/30/518824030.db2.gz KCCZFCNEZHAINZ-MRXNPFEDSA-N 1 2 355.442 1.702 40 0 FDABLO C[C@H]1C[NH+](CCNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)C[C@H](C)O1 ZINC000036802594 519628633 /nfs/dbraw/zinc/62/86/33/519628633.db2.gz WFXYHELBTODMLK-AVGNSLFASA-N 1 2 363.483 1.958 40 0 FDABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2=O)CC1 ZINC000020634620 520583016 /nfs/dbraw/zinc/58/30/16/520583016.db2.gz UGWQLTCXJABCFV-MRXNPFEDSA-N 1 2 374.437 1.911 40 0 FDABLO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000080302649 523867499 /nfs/dbraw/zinc/86/74/99/523867499.db2.gz ULFSAWVFIHAEHK-AWEZNQCLSA-N 1 2 350.444 1.065 40 0 FDABLO O=S(=O)(NC[C@H]1CCC2(C[NH+](Cc3ccccn3)C2)OC1)C1CC1 ZINC000247312827 537106504 /nfs/dbraw/zinc/10/65/04/537106504.db2.gz JBUNGVKIRXCEDL-CQSZACIVSA-N 1 2 351.472 1.144 40 0 FDABLO O=C(COC[C@H]1CN(Cc2nccs2)Cc2c[nH+]cn21)N1CCCC1 ZINC000247732811 537146499 /nfs/dbraw/zinc/14/64/99/537146499.db2.gz IJEICUWPVFOOPH-OAHLLOKOSA-N 1 2 361.471 1.536 40 0 FDABLO O=C(CO[C@@H]1Cn2nccc2C[N@H+](Cc2ccncc2)C1)N1CCCC1 ZINC000247739396 537147787 /nfs/dbraw/zinc/14/77/87/537147787.db2.gz NEABVTLJRBDQDE-SFHVURJKSA-N 1 2 355.442 1.302 40 0 FDABLO O=C(CO[C@@H]1Cn2nccc2C[N@@H+](Cc2ccncc2)C1)N1CCCC1 ZINC000247739396 537147790 /nfs/dbraw/zinc/14/77/90/537147790.db2.gz NEABVTLJRBDQDE-SFHVURJKSA-N 1 2 355.442 1.302 40 0 FDABLO COCC(=O)NCC[C@@H]1Cn2nccc2C[N@H+](Cc2cccnc2OC)C1 ZINC000247820607 537153098 /nfs/dbraw/zinc/15/30/98/537153098.db2.gz CXCJRJMWMVHZPR-HNNXBMFYSA-N 1 2 373.457 1.071 40 0 FDABLO COCC(=O)NCC[C@@H]1Cn2nccc2C[N@@H+](Cc2cccnc2OC)C1 ZINC000247820607 537153101 /nfs/dbraw/zinc/15/31/01/537153101.db2.gz CXCJRJMWMVHZPR-HNNXBMFYSA-N 1 2 373.457 1.071 40 0 FDABLO Cn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223149335 537519239 /nfs/dbraw/zinc/51/92/39/537519239.db2.gz DDQLVLCESROZFA-QZTJIDSGSA-N 1 2 371.510 1.725 40 0 FDABLO Cc1occc1C(=O)N1Cc2[nH+]cn(C)c2C[C@H]1CNc1ncccn1 ZINC000585094772 551568515 /nfs/dbraw/zinc/56/85/15/551568515.db2.gz LWZAKYIHKJOOEV-ZDUSSCGKSA-N 1 2 352.398 1.791 40 0 FDABLO Cc1ccc(C(=O)N2Cc3ccnn3CC[C@H]2C[NH+]2CCOCC2)nc1 ZINC000585097594 551569835 /nfs/dbraw/zinc/56/98/35/551569835.db2.gz NDSVBZLZHBZNJM-INIZCTEOSA-N 1 2 355.442 1.333 40 0 FDABLO O=S(=O)(NC[C@H]1CCC2(C[NH+](Cc3ccncc3)C2)OC1)C1CC1 ZINC000585104307 551571842 /nfs/dbraw/zinc/57/18/42/551571842.db2.gz GZKACFVDLPJGDK-OAHLLOKOSA-N 1 2 351.472 1.144 40 0 FDABLO CC(C)[C@@H](CO)Nc1nc(NC[C@H]2CCCO2)cc(-c2ccncc2)[nH+]1 ZINC000329066294 571129791 /nfs/dbraw/zinc/12/97/91/571129791.db2.gz XZGTUEHMQSNHPY-NVXWUHKLSA-N 1 2 357.458 2.558 40 0 FDABLO Cc1ccsc1CN1Cc2c[nH+]cn2[C@@H](CCNS(C)(=O)=O)C1 ZINC000253599886 571138826 /nfs/dbraw/zinc/13/88/26/571138826.db2.gz WBQOMQNJFOHCER-ZDUSSCGKSA-N 1 2 354.501 1.749 40 0 FDABLO CCc1[nH]c(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccc(CC(=O)[O-])cc3)C2)c(C)[nH+]1 ZINC000257204874 529723236 /nfs/dbraw/zinc/72/32/36/529723236.db2.gz AWQUAUYFEKPODW-IAGOWNOFSA-N 1 2 359.426 1.532 40 0 FDABLO CCc1[nH]c(C[N@H+]2C[C@@H](O)[C@H](Oc3ccc(CC(=O)[O-])cc3)C2)c(C)[nH+]1 ZINC000257204874 529723237 /nfs/dbraw/zinc/72/32/37/529723237.db2.gz AWQUAUYFEKPODW-IAGOWNOFSA-N 1 2 359.426 1.532 40 0 FDABLO COc1ccccc1C[N@@H+]1CCO[C@@H](c2nccc(CNC(C)=O)n2)C1 ZINC000257294819 223054379 /nfs/dbraw/zinc/05/43/79/223054379.db2.gz QVWHWBCELXBJCP-GOSISDBHSA-N 1 2 356.426 1.695 40 0 FDABLO COc1ccccc1C[N@H+]1CCO[C@@H](c2nccc(CNC(C)=O)n2)C1 ZINC000257294819 223054382 /nfs/dbraw/zinc/05/43/82/223054382.db2.gz QVWHWBCELXBJCP-GOSISDBHSA-N 1 2 356.426 1.695 40 0 FDABLO O=c1cc(CC[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)nc[nH]1 ZINC000257304376 223058781 /nfs/dbraw/zinc/05/87/81/223058781.db2.gz SLISKHBWUMKXKZ-MRXNPFEDSA-N 1 2 357.410 1.787 40 0 FDABLO O=c1cc(CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)nc[nH]1 ZINC000257304376 223058785 /nfs/dbraw/zinc/05/87/85/223058785.db2.gz SLISKHBWUMKXKZ-MRXNPFEDSA-N 1 2 357.410 1.787 40 0 FDABLO Cc1n[nH]c(C)c1CCC(=O)N(C)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257343102 223073437 /nfs/dbraw/zinc/07/34/37/223073437.db2.gz ZRMRHFWXUKAVFP-IBGZPJMESA-N 1 2 357.458 1.454 40 0 FDABLO COCCN1CC[C@]2(CN(C(=O)c3ccco3)C[C@H]2c2cn(C)c[nH+]2)C1=O ZINC000306123865 223107199 /nfs/dbraw/zinc/10/71/99/223107199.db2.gz AYXBFIXTFLPWMJ-IFXJQAMLSA-N 1 2 372.425 1.118 40 0 FDABLO C[N@@H+]1C[C@@H](NC(=O)c2cccnc2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000012529702 220002658 /nfs/dbraw/zinc/00/26/58/220002658.db2.gz IEAKAXPORPIFER-JSGCOSHPSA-N 1 2 351.370 1.097 40 0 biogenic,in-vitro FDABLO C[N@H+]1C[C@@H](NC(=O)c2cccnc2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000012529702 220002661 /nfs/dbraw/zinc/00/26/61/220002661.db2.gz IEAKAXPORPIFER-JSGCOSHPSA-N 1 2 351.370 1.097 40 0 biogenic,in-vitro FDABLO COC(=O)[C@@]1(C(C)C)[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019446083 220258101 /nfs/dbraw/zinc/25/81/01/220258101.db2.gz LPXSMCWEPXOGPJ-NUXNZHGMSA-N 1 2 364.829 1.783 40 0 FDABLO CCC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000019501985 220263793 /nfs/dbraw/zinc/26/37/93/220263793.db2.gz ZHTHIOFSQYRLSB-NUXNZHGMSA-N 1 2 364.829 1.927 40 0 FDABLO CCn1ncc(S(=O)(=O)NC2(C[NH+]3CCOCC3)CCCCC2)c1C ZINC000019524029 220266924 /nfs/dbraw/zinc/26/69/24/220266924.db2.gz MABUOLIWMDAFCA-UHFFFAOYSA-N 1 2 370.519 1.525 40 0 FDABLO CNc1cc([C@H]2CCCN(C(=O)CCCN3C(=O)CNC3=O)C2)cc[nH+]1 ZINC000257276542 533055690 /nfs/dbraw/zinc/05/56/90/533055690.db2.gz NUFOFNBYWDKGCK-AWEZNQCLSA-N 1 2 359.430 1.161 40 0 FDABLO Cc1ccccc1OCCC(=O)N1CCC[C@H](c2nnc3n2CC[NH2+]C3)C1 ZINC000019711025 220288279 /nfs/dbraw/zinc/28/82/79/220288279.db2.gz MXRIBNGKWPPQCJ-INIZCTEOSA-N 1 2 369.469 1.865 40 0 FDABLO C[NH+]1CCN(C(=O)Cn2cc(C=O)c3cc(Br)ccc32)CC1 ZINC000022277261 220380841 /nfs/dbraw/zinc/38/08/41/220380841.db2.gz WICYRRQYTXENFZ-UHFFFAOYSA-N 1 2 364.243 1.990 40 0 FDABLO CS(=O)(=O)NC[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2c[nH+]cn21 ZINC000306135152 533408811 /nfs/dbraw/zinc/40/88/11/533408811.db2.gz OJJMNFUVSIYXQR-IHVVCDCBSA-N 1 2 366.468 1.091 40 0 FDABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccn2)C3)C[C@H](C)O1 ZINC000072335490 136144406 /nfs/dbraw/zinc/14/44/06/136144406.db2.gz OTUHZFMKSHJMSQ-KBPBESRZSA-N 1 2 355.442 1.749 40 0 FDABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccn2)C3)C[C@H](C)O1 ZINC000072335490 136144407 /nfs/dbraw/zinc/14/44/07/136144407.db2.gz OTUHZFMKSHJMSQ-KBPBESRZSA-N 1 2 355.442 1.749 40 0 FDABLO O=C(c1ccsc1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC000096059606 222006359 /nfs/dbraw/zinc/00/63/59/222006359.db2.gz OHTIFLJXIBNMAK-UHFFFAOYSA-N 1 2 355.423 1.596 40 0 FDABLO Cc1cccc(CO[C@@H]2[C@H](NC(=O)c3ccoc3)C[N@@H+]3CCOC[C@H]23)n1 ZINC000096198689 222073152 /nfs/dbraw/zinc/07/31/52/222073152.db2.gz HPYVCWZQUQBXAE-KZNAEPCWSA-N 1 2 357.410 1.381 40 0 FDABLO Cc1cccc(CO[C@@H]2[C@H](NC(=O)c3ccoc3)C[N@H+]3CCOC[C@H]23)n1 ZINC000096198689 222073155 /nfs/dbraw/zinc/07/31/55/222073155.db2.gz HPYVCWZQUQBXAE-KZNAEPCWSA-N 1 2 357.410 1.381 40 0 FDABLO Cn1ccc(C(=O)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)n1 ZINC000096209287 222077647 /nfs/dbraw/zinc/07/76/47/222077647.db2.gz RAIZLEIVWCRMCJ-AWEZNQCLSA-N 1 2 352.398 1.363 40 0 FDABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1 ZINC000104346210 222355658 /nfs/dbraw/zinc/35/56/58/222355658.db2.gz VAKBEEXNGUPAND-CQSZACIVSA-N 1 2 374.393 1.322 40 0 FDABLO Cc1cccc(N(CC(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)c1C ZINC000004938186 518320207 /nfs/dbraw/zinc/32/02/07/518320207.db2.gz RDGYIHWXLOUOEV-UHFFFAOYSA-N 1 2 364.471 1.472 40 0 FDABLO CN(C(=O)C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)C1CCCCC1 ZINC000012144566 518591455 /nfs/dbraw/zinc/59/14/55/518591455.db2.gz PUHFFBHYZYHVKC-UHFFFAOYSA-N 1 2 373.501 1.519 40 0 FDABLO CN(C(=O)C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)C1CCCCC1 ZINC000012144566 518591458 /nfs/dbraw/zinc/59/14/58/518591458.db2.gz PUHFFBHYZYHVKC-UHFFFAOYSA-N 1 2 373.501 1.519 40 0 FDABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000035310718 519603118 /nfs/dbraw/zinc/60/31/18/519603118.db2.gz QFLVSHPIHGKBMV-GOSISDBHSA-N 1 2 372.473 1.756 40 0 FDABLO C[NH+]1CCN(C(=O)c2nnc3sc(-c4ccc(Cl)cc4)nn32)CC1 ZINC000057354671 522073823 /nfs/dbraw/zinc/07/38/23/522073823.db2.gz NJFOZNHBTWRUDQ-UHFFFAOYSA-N 1 2 362.846 1.894 40 0 FDABLO CCn1cc[nH+]c1CN1CCCC[C@H]1c1cc(C(=O)N2CCOCC2)n[nH]1 ZINC000072380583 522228693 /nfs/dbraw/zinc/22/86/93/522228693.db2.gz DNBPZTJQFMOZBG-KRWDZBQOSA-N 1 2 372.473 1.826 40 0 FDABLO Cn1cc[nH+]c1CN1C[C@H]2CN(C(=O)Nc3ccccc3)CCN2C1=O ZINC000085436128 524356742 /nfs/dbraw/zinc/35/67/42/524356742.db2.gz ZTMUUCBSZNSKNB-OAHLLOKOSA-N 1 2 354.414 1.574 40 0 biogenic,in-vitro FDABLO CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)CCCn2cc[nH+]c2)n1 ZINC000257280959 526578119 /nfs/dbraw/zinc/57/81/19/526578119.db2.gz ONBXJZLFWMNGTN-QGZVFWFLSA-N 1 2 356.430 1.453 40 0 FDABLO CC(C)n1cc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)N3CCOCC3)C2)cn1 ZINC000306142496 528565136 /nfs/dbraw/zinc/56/51/36/528565136.db2.gz XASXKLIHZWJQGD-INIZCTEOSA-N 1 2 372.473 1.156 40 0 FDABLO CC(C)n1cc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)N3CCOCC3)C2)cn1 ZINC000306142496 528565143 /nfs/dbraw/zinc/56/51/43/528565143.db2.gz XASXKLIHZWJQGD-INIZCTEOSA-N 1 2 372.473 1.156 40 0 FDABLO CC(C)n1cc(CN2Cc3c[nH+]cn3[C@@H](CCNS(C)(=O)=O)C2)cn1 ZINC000306126347 528565409 /nfs/dbraw/zinc/56/54/09/528565409.db2.gz DTDKCSXJYHVFSD-HNNXBMFYSA-N 1 2 366.491 1.157 40 0 FDABLO Cc1cccc(CO[C@@H]2[C@H](NC(=O)c3ccoc3)C[N@@H+]3CCOC[C@@H]23)n1 ZINC000247864207 537154634 /nfs/dbraw/zinc/15/46/34/537154634.db2.gz HPYVCWZQUQBXAE-FGTMMUONSA-N 1 2 357.410 1.381 40 0 FDABLO Cc1cccc(CO[C@@H]2[C@H](NC(=O)c3ccoc3)C[N@H+]3CCOC[C@@H]23)n1 ZINC000247864207 537154637 /nfs/dbraw/zinc/15/46/37/537154637.db2.gz HPYVCWZQUQBXAE-FGTMMUONSA-N 1 2 357.410 1.381 40 0 FDABLO COc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3CCOCC(=O)N(C)C)cc1 ZINC000247977618 537160612 /nfs/dbraw/zinc/16/06/12/537160612.db2.gz IWMIJAASRUPBLJ-KRWDZBQOSA-N 1 2 362.470 1.781 40 0 FDABLO CN(C)C(=O)CO[C@@H]1Cn2nccc2C[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000247984171 537161168 /nfs/dbraw/zinc/16/11/68/537161168.db2.gz KEULHZYMPPFQCY-INIZCTEOSA-N 1 2 372.425 1.101 40 0 FDABLO CN(C)C(=O)CO[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000247984171 537161171 /nfs/dbraw/zinc/16/11/71/537161171.db2.gz KEULHZYMPPFQCY-INIZCTEOSA-N 1 2 372.425 1.101 40 0 FDABLO Cc1ccnc(O[C@@H]2CCOC3(CN(c4cc(N(C)C)[nH+]cn4)C3)C2)n1 ZINC000248092355 537166185 /nfs/dbraw/zinc/16/61/85/537166185.db2.gz FTNVFNNPXNKUAM-CQSZACIVSA-N 1 2 356.430 1.458 40 0 FDABLO Cc1ccnc(O[C@@H]2CCOC3(CN(c4cc(N(C)C)nc[nH+]4)C3)C2)n1 ZINC000248092355 537166187 /nfs/dbraw/zinc/16/61/87/537166187.db2.gz FTNVFNNPXNKUAM-CQSZACIVSA-N 1 2 356.430 1.458 40 0 FDABLO CN(C)c1cc(N2CC3(C2)C[C@H](OCC2CCOCC2)CCO3)nc[nH+]1 ZINC000248136170 537168157 /nfs/dbraw/zinc/16/81/57/537168157.db2.gz RTORBDXZKCKTPT-MRXNPFEDSA-N 1 2 362.474 1.724 40 0 FDABLO CN(C)c1cc(N2CC3(C2)C[C@H](OCC2CCOCC2)CCO3)[nH+]cn1 ZINC000248136170 537168161 /nfs/dbraw/zinc/16/81/61/537168161.db2.gz RTORBDXZKCKTPT-MRXNPFEDSA-N 1 2 362.474 1.724 40 0 FDABLO CS(=O)(=O)CC[C@@H]([NH3+])c1nc([C@@H](c2ccccc2)n2cccc2)no1 ZINC000409438474 537850245 /nfs/dbraw/zinc/85/02/45/537850245.db2.gz CTYKYZROERTKJY-HUUCEWRRSA-N 1 2 360.439 1.943 40 0 FDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2CN2CCC(F)(F)C2)no1 ZINC000585094947 551568262 /nfs/dbraw/zinc/56/82/62/551568262.db2.gz VTELYMCLRUQRDJ-AWEZNQCLSA-N 1 2 351.401 1.984 40 0 FDABLO Cc1ncoc1C(=O)N1Cc2[nH+]cn(C)c2C[C@@H]1COc1ncccn1 ZINC000585094953 551568525 /nfs/dbraw/zinc/56/85/25/551568525.db2.gz WOBIGJDNFOTQGT-GFCCVEGCSA-N 1 2 354.370 1.153 40 0 FDABLO CCS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3cccc(F)c3)C2)OC1 ZINC000585103918 551572123 /nfs/dbraw/zinc/57/21/23/551572123.db2.gz DQKHMESOLUMHGE-OAHLLOKOSA-N 1 2 356.463 1.746 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(Cc3ccc(OC)cc3)C2)C[N@@H+]1CC1CC1 ZINC000585109525 551573351 /nfs/dbraw/zinc/57/33/51/551573351.db2.gz VZFIGVOYVHGMDD-SFHVURJKSA-N 1 2 359.470 1.106 40 0 FDABLO CNC(=O)[C@@H]1COC2(CN(Cc3ccc(OC)cc3)C2)C[N@H+]1CC1CC1 ZINC000585109525 551573354 /nfs/dbraw/zinc/57/33/54/551573354.db2.gz VZFIGVOYVHGMDD-SFHVURJKSA-N 1 2 359.470 1.106 40 0 FDABLO Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000585291731 551580496 /nfs/dbraw/zinc/58/04/96/551580496.db2.gz SMMSANKGHLFEJI-NXVVPMLUSA-N 1 2 358.482 1.778 40 0 FDABLO CCS(=O)(=O)NCC[C@H]1Cn2nccc2C[N@H+](Cc2ccoc2)C1 ZINC000253489430 571135725 /nfs/dbraw/zinc/13/57/25/571135725.db2.gz FFIHIOQZQFSLPF-CQSZACIVSA-N 1 2 352.460 1.438 40 0 FDABLO CCS(=O)(=O)NCC[C@H]1Cn2nccc2C[N@@H+](Cc2ccoc2)C1 ZINC000253489430 571135726 /nfs/dbraw/zinc/13/57/26/571135726.db2.gz FFIHIOQZQFSLPF-CQSZACIVSA-N 1 2 352.460 1.438 40 0 FDABLO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000264600808 179144301 /nfs/dbraw/zinc/14/43/01/179144301.db2.gz DMTIODWQZCSFER-OAHLLOKOSA-N 1 2 364.471 1.463 40 0 FDABLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1Cl ZINC000257209802 223020281 /nfs/dbraw/zinc/02/02/81/223020281.db2.gz BRYAJLAAVAMLDV-RDJZCZTQSA-N 1 2 354.834 1.903 40 0 FDABLO COc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1Cl ZINC000257209802 223020284 /nfs/dbraw/zinc/02/02/84/223020284.db2.gz BRYAJLAAVAMLDV-RDJZCZTQSA-N 1 2 354.834 1.903 40 0 FDABLO CCn1nc(C)cc1C(=O)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306128397 223108667 /nfs/dbraw/zinc/10/86/67/223108667.db2.gz GZHKPGWFZJDAJV-ZMSDIMECSA-N 1 2 355.442 1.806 40 0 FDABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1 ZINC000019403586 220255313 /nfs/dbraw/zinc/25/53/13/220255313.db2.gz UEHGORIKQDVBSM-HNNXBMFYSA-N 1 2 355.442 1.572 40 0 FDABLO C[N@H+](Cc1c2cccnc2[nH]c1C1CCCC1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000019576507 220275587 /nfs/dbraw/zinc/27/55/87/220275587.db2.gz RYTPYBVZVJDIRA-HZPDHXFCSA-N 1 2 363.483 1.810 40 0 FDABLO C[N@@H+](Cc1c2cccnc2[nH]c1C1CCCC1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000019576507 220275593 /nfs/dbraw/zinc/27/55/93/220275593.db2.gz RYTPYBVZVJDIRA-HZPDHXFCSA-N 1 2 363.483 1.810 40 0 FDABLO CNc1cccc([C@@H]2CN(C(=O)C[N@H+](C)Cc3cccnc3)CCO2)n1 ZINC000257295899 533066149 /nfs/dbraw/zinc/06/61/49/533066149.db2.gz RAIOBXPJDHQVRX-KRWDZBQOSA-N 1 2 355.442 1.550 40 0 FDABLO CNc1cccc([C@@H]2CN(C(=O)C[N@@H+](C)Cc3cccnc3)CCO2)n1 ZINC000257295899 533066150 /nfs/dbraw/zinc/06/61/50/533066150.db2.gz RAIOBXPJDHQVRX-KRWDZBQOSA-N 1 2 355.442 1.550 40 0 FDABLO CN(C)S(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000019748992 220292947 /nfs/dbraw/zinc/29/29/47/220292947.db2.gz VLMZNOFYMKHXCT-CQSZACIVSA-N 1 2 365.503 1.704 40 0 FDABLO CN(C)S(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000019748992 220292950 /nfs/dbraw/zinc/29/29/50/220292950.db2.gz VLMZNOFYMKHXCT-CQSZACIVSA-N 1 2 365.503 1.704 40 0 FDABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@H](C(=O)Nc1ccccc1)CC(=O)N2 ZINC000020635797 220337661 /nfs/dbraw/zinc/33/76/61/220337661.db2.gz CPPJCULIPIBTKN-GFCCVEGCSA-N 1 2 352.398 1.724 40 0 FDABLO CS(=O)(=O)NCC[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2cncn21 ZINC000306130400 533403431 /nfs/dbraw/zinc/40/34/31/533403431.db2.gz JFBZVXMZONESAK-HNNXBMFYSA-N 1 2 373.482 1.861 40 0 FDABLO CS(=O)(=O)NCC[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2cncn21 ZINC000306130400 533403436 /nfs/dbraw/zinc/40/34/36/533403436.db2.gz JFBZVXMZONESAK-HNNXBMFYSA-N 1 2 373.482 1.861 40 0 FDABLO CS(=O)(=O)NCC[C@H]1CN(Cc2cccc3[nH]ccc32)Cc2c[nH+]cn21 ZINC000306130400 533403439 /nfs/dbraw/zinc/40/34/39/533403439.db2.gz JFBZVXMZONESAK-HNNXBMFYSA-N 1 2 373.482 1.861 40 0 FDABLO COc1cccc(CNc2cc(-c3ccncc3)[nH+]c(NCCO)n2)c1 ZINC000329047884 533486686 /nfs/dbraw/zinc/48/66/86/533486686.db2.gz UIBIFRBVXYUYFR-UHFFFAOYSA-N 1 2 351.410 1.407 40 0 FDABLO Cc1cc(N2CCC[C@H](c3ccnc4c(C(=O)N(C)C)cnn43)C2)nc[nH+]1 ZINC000257265723 132296087 /nfs/dbraw/zinc/29/60/87/132296087.db2.gz MAAMRJMOZHQBRD-AWEZNQCLSA-N 1 2 365.441 1.914 40 0 FDABLO O=C(NCc1ccccn1)[C@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096066318 222010214 /nfs/dbraw/zinc/01/02/14/222010214.db2.gz FNPGEPROSXRKTQ-IMJJTQAJSA-N 1 2 358.467 1.834 40 0 FDABLO O=C(NCc1ccccn1)[C@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096066318 222010218 /nfs/dbraw/zinc/01/02/18/222010218.db2.gz FNPGEPROSXRKTQ-IMJJTQAJSA-N 1 2 358.467 1.834 40 0 FDABLO CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CCN(S(=O)(=O)N(C)C)C2 ZINC000096254201 222101273 /nfs/dbraw/zinc/10/12/73/222101273.db2.gz AMSOWOLHUZLYAC-UHFFFAOYSA-N 1 2 354.480 1.036 40 0 FDABLO CN(C)c1ncc2c(n1)[C@H]1C[N@@H+](Cc3ccccc3)C[C@H]1S(=O)(=O)C2 ZINC000096251903 222101474 /nfs/dbraw/zinc/10/14/74/222101474.db2.gz PFPJCTMMTKFNMK-JKSUJKDBSA-N 1 2 358.467 1.439 40 0 FDABLO CN(C)c1ncc2c(n1)[C@H]1C[N@H+](Cc3ccccc3)C[C@H]1S(=O)(=O)C2 ZINC000096251903 222101477 /nfs/dbraw/zinc/10/14/77/222101477.db2.gz PFPJCTMMTKFNMK-JKSUJKDBSA-N 1 2 358.467 1.439 40 0 FDABLO Cc1ccc(C[NH+]2CC3(C2)CC[C@@H](CNS(=O)(=O)C2CC2)CO3)o1 ZINC000306133462 533913174 /nfs/dbraw/zinc/91/31/74/533913174.db2.gz MMEJZPKHCBUAMJ-AWEZNQCLSA-N 1 2 354.472 1.651 40 0 FDABLO CSc1nnc([C@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)n1C ZINC000005001464 518326009 /nfs/dbraw/zinc/32/60/09/518326009.db2.gz GXKGILMXTCSLCW-JTQLQIEISA-N 1 2 352.489 1.812 40 0 FDABLO CSc1nnc([C@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)n1C ZINC000005001464 518326018 /nfs/dbraw/zinc/32/60/18/518326018.db2.gz GXKGILMXTCSLCW-JTQLQIEISA-N 1 2 352.489 1.812 40 0 FDABLO Cc1cccc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)c2ccccc2O3)n1 ZINC000012117938 518588971 /nfs/dbraw/zinc/58/89/71/518588971.db2.gz GRNRDEBJJHODST-UHFFFAOYSA-N 1 2 366.421 1.943 40 0 FDABLO COc1ccc(CN2CCc3c(N)nc(N4CCCC4)[nH+]c3C2)cc1O ZINC000012222627 518598290 /nfs/dbraw/zinc/59/82/90/518598290.db2.gz SSUSCPVQPOUDSR-UHFFFAOYSA-N 1 2 355.442 1.932 40 0 FDABLO CCCS(=O)(=O)N[C@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@H+](C)C1 ZINC000030879581 519399748 /nfs/dbraw/zinc/39/97/48/519399748.db2.gz LNOTUQIJLODBCV-KBPBESRZSA-N 1 2 350.444 1.811 40 0 biogenic,in-vitro FDABLO CCCS(=O)(=O)N[C@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@@H+](C)C1 ZINC000030879581 519399752 /nfs/dbraw/zinc/39/97/52/519399752.db2.gz LNOTUQIJLODBCV-KBPBESRZSA-N 1 2 350.444 1.811 40 0 biogenic,in-vitro FDABLO CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1nnnn1Cc1ccccc1 ZINC000035314274 519603366 /nfs/dbraw/zinc/60/33/66/519603366.db2.gz NTPZBJMHZULBSP-AYHJJNSGSA-N 1 2 354.458 1.743 40 0 FDABLO CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1nnnn1Cc1ccccc1 ZINC000035314274 519603370 /nfs/dbraw/zinc/60/33/70/519603370.db2.gz NTPZBJMHZULBSP-AYHJJNSGSA-N 1 2 354.458 1.743 40 0 FDABLO COCCn1nnnc1[C@@H](C(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000035311201 519603640 /nfs/dbraw/zinc/60/36/40/519603640.db2.gz GAKJMDIHEOOGQO-QGZVFWFLSA-N 1 2 362.453 1.978 40 0 FDABLO CCOc1ccc(CCC(=O)NCC[NH+]2CCOCC2)cc1OCC ZINC000020488004 520942237 /nfs/dbraw/zinc/94/22/37/520942237.db2.gz ORUPUBBXNHASMM-UHFFFAOYSA-N 1 2 350.459 1.865 40 0 FDABLO CCOC(=O)[C@]1(CC)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000245229868 521354050 /nfs/dbraw/zinc/35/40/50/521354050.db2.gz HSGRKWCSKYMMPD-UIVXKWKOSA-N 1 2 374.437 1.673 40 0 FDABLO COc1cccc([C@H](NC(=O)N2CCOCC2)c2[nH+]ccn2C)c1OC ZINC000072346355 522220951 /nfs/dbraw/zinc/22/09/51/522220951.db2.gz USDNPAAIFBGWFH-HNNXBMFYSA-N 1 2 360.414 1.569 40 0 FDABLO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCC[N@@H+]3C(CO)CO)n2)n1 ZINC000072384846 522231132 /nfs/dbraw/zinc/23/11/32/522231132.db2.gz IUBHAHLRPBRJIE-MRXNPFEDSA-N 1 2 372.473 1.816 40 0 FDABLO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCC[N@H+]3C(CO)CO)n2)n1 ZINC000072384846 522231141 /nfs/dbraw/zinc/23/11/41/522231141.db2.gz IUBHAHLRPBRJIE-MRXNPFEDSA-N 1 2 372.473 1.816 40 0 FDABLO Cn1nccc1C(=O)N1CCC[C@@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257327273 534846211 /nfs/dbraw/zinc/84/62/11/534846211.db2.gz XASYMTVHXZRIJI-QGZVFWFLSA-N 1 2 355.442 1.625 40 0 FDABLO COc1cccc(C[N@@H+]2CC[C@@H]3OCCN(C(=O)c4ccco4)[C@H]3C2)n1 ZINC000108534307 525979512 /nfs/dbraw/zinc/97/95/12/525979512.db2.gz CNAJAGPSBRDBOD-HOTGVXAUSA-N 1 2 357.410 1.799 40 0 FDABLO COc1cccc(C[N@H+]2CC[C@@H]3OCCN(C(=O)c4ccco4)[C@H]3C2)n1 ZINC000108534307 525979518 /nfs/dbraw/zinc/97/95/18/525979518.db2.gz CNAJAGPSBRDBOD-HOTGVXAUSA-N 1 2 357.410 1.799 40 0 FDABLO Cc1cccc(CO[C@@H]2[C@@H](NC(=O)c3ccoc3)C[N@@H+]3CCOC[C@@H]23)n1 ZINC000247864210 537154317 /nfs/dbraw/zinc/15/43/17/537154317.db2.gz HPYVCWZQUQBXAE-OKZBNKHCSA-N 1 2 357.410 1.381 40 0 FDABLO Cc1cccc(CO[C@@H]2[C@@H](NC(=O)c3ccoc3)C[N@H+]3CCOC[C@@H]23)n1 ZINC000247864210 537154319 /nfs/dbraw/zinc/15/43/19/537154319.db2.gz HPYVCWZQUQBXAE-OKZBNKHCSA-N 1 2 357.410 1.381 40 0 FDABLO O=C(c1cnccn1)N1Cc2c[nH+]cn2[C@H](COCC2CCOCC2)C1 ZINC000247885281 537156918 /nfs/dbraw/zinc/15/69/18/537156918.db2.gz WVWLHVRNVMHWNT-INIZCTEOSA-N 1 2 357.414 1.313 40 0 FDABLO Cn1cnc2c1[C@H](C(=O)N1CC=CC1)C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000248010482 537162683 /nfs/dbraw/zinc/16/26/83/537162683.db2.gz DSNZSUUPBKTXIF-OAHLLOKOSA-N 1 2 366.421 1.647 40 0 FDABLO Cn1cnc2c1[C@H](C(=O)N1CC=CC1)C[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000248010482 537162684 /nfs/dbraw/zinc/16/26/84/537162684.db2.gz DSNZSUUPBKTXIF-OAHLLOKOSA-N 1 2 366.421 1.647 40 0 FDABLO CN(C)c1cc(N2CC3(C2)C[C@@H](CCOc2ncccn2)CCO3)nc[nH+]1 ZINC000248084239 537166118 /nfs/dbraw/zinc/16/61/18/537166118.db2.gz DEPICWDDEBIUPC-HNNXBMFYSA-N 1 2 370.457 1.787 40 0 FDABLO CN(C)c1cc(N2CC3(C2)C[C@@H](CCOc2ncccn2)CCO3)[nH+]cn1 ZINC000248084239 537166120 /nfs/dbraw/zinc/16/61/20/537166120.db2.gz DEPICWDDEBIUPC-HNNXBMFYSA-N 1 2 370.457 1.787 40 0 FDABLO Cc1cc(N2CCCC2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225905098 537563266 /nfs/dbraw/zinc/56/32/66/537563266.db2.gz KIYXCGBZSMDYMA-UHFFFAOYSA-N 1 2 350.492 1.004 40 0 FDABLO Cc1ccnc(OC[C@@H]2Cc3c([nH+]cn3C)CN2C(=O)c2cocn2)n1 ZINC000585094678 551568360 /nfs/dbraw/zinc/56/83/60/551568360.db2.gz GYNZTHVMRYXHHO-LBPRGKRZSA-N 1 2 354.370 1.153 40 0 FDABLO Cn1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COCc2ccccn2)cn1 ZINC000585094706 551568583 /nfs/dbraw/zinc/56/85/83/551568583.db2.gz IQPHDJBSQQFNHZ-QGZVFWFLSA-N 1 2 352.442 1.692 40 0 FDABLO CC(C)CCC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCC2CCOCC2)C1 ZINC000585096130 551569066 /nfs/dbraw/zinc/56/90/66/551569066.db2.gz SUTSRAOULMFIIV-KRWDZBQOSA-N 1 2 362.474 1.745 40 0 FDABLO COCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000585105003 551572022 /nfs/dbraw/zinc/57/20/22/551572022.db2.gz XQZXLDRHNWQDEX-GOSISDBHSA-N 1 2 354.397 1.662 40 0 FDABLO COCCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000585105003 551572024 /nfs/dbraw/zinc/57/20/24/551572024.db2.gz XQZXLDRHNWQDEX-GOSISDBHSA-N 1 2 354.397 1.662 40 0 FDABLO CCS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3ccccc3OC)C2)OC1 ZINC000585105563 551572627 /nfs/dbraw/zinc/57/26/27/551572627.db2.gz ZZEJOIQYHGZNBT-OAHLLOKOSA-N 1 2 368.499 1.616 40 0 FDABLO CC1CCC(C(=O)N2CCc3[nH+]cc(CN4CCOCC4)n3CC2)CC1 ZINC000585110593 551573801 /nfs/dbraw/zinc/57/38/01/551573801.db2.gz BUHMUCYBORIQNH-UHFFFAOYSA-N 1 2 360.502 1.926 40 0 FDABLO CNC(=O)C[C@@]1(COC)CCCN1C(=O)Cc1c(C)[nH+]c2ccccn21 ZINC000585279023 551578333 /nfs/dbraw/zinc/57/83/33/551578333.db2.gz RYIDTEUPLZJBDV-LJQANCHMSA-N 1 2 358.442 1.329 40 0 FDABLO Cc1ccc(C[C@H]2CCN(C(=O)/C=C/C[NH+]3CCOCC3)C[C@@H]2O)cc1 ZINC000585290312 551579856 /nfs/dbraw/zinc/57/98/56/551579856.db2.gz BJSPPPLNHKENTN-KWWGHGNASA-N 1 2 358.482 1.635 40 0 FDABLO