smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CCN(c2nc(C)nc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC000012183245 539548357 /nfs/dbraw/zinc/54/83/57/539548357.db2.gz BSPJHKMUMITCSI-UHFFFAOYSA-N 1 2 365.481 2.012 40 0 FEABLO CC(=O)N1CCN(c2nc(C)nc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000012183245 539548360 /nfs/dbraw/zinc/54/83/60/539548360.db2.gz BSPJHKMUMITCSI-UHFFFAOYSA-N 1 2 365.481 2.012 40 0 FEABLO C[C@@H](CC(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3C)ncc2C1)n1cccn1 ZINC000019455369 539657597 /nfs/dbraw/zinc/65/75/97/539657597.db2.gz MVTKYVNRLAWGNE-YJBOKZPZSA-N 1 2 368.485 2.366 40 0 FEABLO C[C@@H](CC(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3C)ncc2C1)n1cccn1 ZINC000019455369 539657602 /nfs/dbraw/zinc/65/76/02/539657602.db2.gz MVTKYVNRLAWGNE-YJBOKZPZSA-N 1 2 368.485 2.366 40 0 FEABLO COc1ccc(OC)c(NC(=O)C[NH+]2CCC(O)(c3cccnc3)CC2)c1 ZINC000019551807 539659351 /nfs/dbraw/zinc/65/93/51/539659351.db2.gz RJTRSQOYXQWYGU-UHFFFAOYSA-N 1 2 371.437 2.021 40 0 FEABLO Cc1onc(C(C)C)c1C(=O)N1CCc2nnc([C@H]3CCC[N@@H+]3C)n2CC1 ZINC000019706325 539666254 /nfs/dbraw/zinc/66/62/54/539666254.db2.gz OTXYBRPEOHJDFC-CQSZACIVSA-N 1 2 372.473 2.163 40 0 FEABLO Cc1onc(C(C)C)c1C(=O)N1CCc2nnc([C@H]3CCC[N@H+]3C)n2CC1 ZINC000019706325 539666256 /nfs/dbraw/zinc/66/62/56/539666256.db2.gz OTXYBRPEOHJDFC-CQSZACIVSA-N 1 2 372.473 2.163 40 0 FEABLO Cc1[nH+]c2cc(NC(=O)CN3CCNC(=O)C3)ccc2n1C1CCCCC1 ZINC000019660432 539664688 /nfs/dbraw/zinc/66/46/88/539664688.db2.gz KEBXRITXPJWUGN-UHFFFAOYSA-N 1 2 369.469 2.220 40 0 FEABLO CC(C)c1ncc(C[N@@H+]2CCN(C)C(=O)[C@@H](Cc3ccccn3)C2)cn1 ZINC000019696856 539665624 /nfs/dbraw/zinc/66/56/24/539665624.db2.gz NJSJKAGURUUIMV-KRWDZBQOSA-N 1 2 353.470 2.128 40 0 FEABLO CC(C)c1ncc(C[N@H+]2CCN(C)C(=O)[C@@H](Cc3ccccn3)C2)cn1 ZINC000019696856 539665627 /nfs/dbraw/zinc/66/56/27/539665627.db2.gz NJSJKAGURUUIMV-KRWDZBQOSA-N 1 2 353.470 2.128 40 0 FEABLO CCOc1ccc(NC(=O)C[C@H]2[NH+]=C(N3C[C@@H](C)C[C@H](C)C3)NC2=O)cc1 ZINC000035379652 539981519 /nfs/dbraw/zinc/98/15/19/539981519.db2.gz BIYLAXXTVMHDRX-GRDNDAEWSA-N 1 2 372.469 2.246 40 0 FEABLO CC[C@H](c1ccc(F)cc1)n1cc(C(=O)NCCCn2cc[nH+]c2)nn1 ZINC000072341636 541800481 /nfs/dbraw/zinc/80/04/81/541800481.db2.gz ZAJCHZFDVVXDFK-QGZVFWFLSA-N 1 2 356.405 2.433 40 0 FEABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccn3)n2)cc1 ZINC000015674698 206316437 /nfs/dbraw/zinc/31/64/37/206316437.db2.gz LXCKIDKPXDENMV-WBVHZDCISA-N 1 2 352.394 2.448 40 0 biogenic,in-vitro FEABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccccn3)n2)cc1 ZINC000015674698 206316440 /nfs/dbraw/zinc/31/64/40/206316440.db2.gz LXCKIDKPXDENMV-WBVHZDCISA-N 1 2 352.394 2.448 40 0 biogenic,in-vitro FEABLO Cc1cc(CN2Cc3c[nH+]cn3C[C@@H](COCc3ccccn3)C2)no1 ZINC000096207448 542996146 /nfs/dbraw/zinc/99/61/46/542996146.db2.gz DXKUDQHGRBGGMY-INIZCTEOSA-N 1 2 353.426 2.423 40 0 FEABLO Cn1cccc1C(=O)N1CCn2cc(C[N@H+](C)Cc3ccco3)nc2C1 ZINC000096059532 542990272 /nfs/dbraw/zinc/99/02/72/542990272.db2.gz RDMKRXFDYKCEOK-UHFFFAOYSA-N 1 2 353.426 2.103 40 0 FEABLO Cn1cccc1C(=O)N1CCn2cc(C[N@@H+](C)Cc3ccco3)nc2C1 ZINC000096059532 542990276 /nfs/dbraw/zinc/99/02/76/542990276.db2.gz RDMKRXFDYKCEOK-UHFFFAOYSA-N 1 2 353.426 2.103 40 0 FEABLO S=C(NCC[NH+]1CCOCC1)Nc1ccc(N2CCCCCC2)nc1 ZINC000223894062 548726131 /nfs/dbraw/zinc/72/61/31/548726131.db2.gz AQGZOJYTEPMQOK-UHFFFAOYSA-N 1 2 363.531 2.081 40 0 FEABLO O=C(c1cc(C2CC2)on1)N1Cc2c[nH+]cn2[C@@H](COc2ccccn2)C1 ZINC000247861583 549386372 /nfs/dbraw/zinc/38/63/72/549386372.db2.gz MWBWVKPIVMCIHT-OAHLLOKOSA-N 1 2 365.393 2.420 40 0 FEABLO O=C1CCCN1CC[C@H]1CCOC12C[NH+](Cc1ccc3c(c1)OCO3)C2 ZINC000247849416 549386636 /nfs/dbraw/zinc/38/66/36/549386636.db2.gz GBUUBSUBXHKNPX-INIZCTEOSA-N 1 2 358.438 2.019 40 0 FEABLO O=C(c1ccc(F)c(F)c1)N1Cc2c[nH+]cn2[C@@H](COc2ncccn2)C1 ZINC000247873597 549389063 /nfs/dbraw/zinc/38/90/63/549389063.db2.gz MRGWFKLDFBQSRW-CQSZACIVSA-N 1 2 371.347 2.227 40 0 FEABLO Cn1cc(C[NH+]2CC3(C2)C[C@H](CCOc2ncccc2F)CCO3)cn1 ZINC000248149760 549411496 /nfs/dbraw/zinc/41/14/96/549411496.db2.gz SVXRRNUIZMZSGF-OAHLLOKOSA-N 1 2 360.433 2.404 40 0 FEABLO Cc1ccncc1CO[C@@H]1CCOC2(CN(c3cc(N(C)C)[nH+]cn3)C2)C1 ZINC000248153317 549412192 /nfs/dbraw/zinc/41/21/92/549412192.db2.gz YJGLJMJATJINHA-QGZVFWFLSA-N 1 2 369.469 2.201 40 0 FEABLO Cc1ccncc1CO[C@@H]1CCOC2(CN(c3cc(N(C)C)nc[nH+]3)C2)C1 ZINC000248153317 549412195 /nfs/dbraw/zinc/41/21/95/549412195.db2.gz YJGLJMJATJINHA-QGZVFWFLSA-N 1 2 369.469 2.201 40 0 FEABLO c1cnc(NC[C@@H]2CCC3(C[NH+](Cc4ccc5c(c4)OCO5)C3)OC2)nc1 ZINC000248329261 549419075 /nfs/dbraw/zinc/41/90/75/549419075.db2.gz DBBCWFJFLGFVBJ-INIZCTEOSA-N 1 2 368.437 2.298 40 0 FEABLO CC[NH+]1CCN(C(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 ZINC000249680485 549615450 /nfs/dbraw/zinc/61/54/50/549615450.db2.gz ALKFUBDKEXSQQR-FCBIJRMHSA-N 1 2 354.450 2.211 40 0 FEABLO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000257202305 549717062 /nfs/dbraw/zinc/71/70/62/549717062.db2.gz ALFCEEVWQMOBRQ-CQSZACIVSA-N 1 2 371.466 2.295 40 0 FEABLO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000257202305 549717066 /nfs/dbraw/zinc/71/70/66/549717066.db2.gz ALFCEEVWQMOBRQ-CQSZACIVSA-N 1 2 371.466 2.295 40 0 FEABLO CN(c1ccccc1)[C@@H]1COC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC000257308272 549726277 /nfs/dbraw/zinc/72/62/77/549726277.db2.gz TWDDJSYYXVNAHF-SFHVURJKSA-N 1 2 354.454 2.170 40 0 FEABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)c(Br)c1 ZINC000329051411 553872155 /nfs/dbraw/zinc/87/21/55/553872155.db2.gz UWOLOAXENYSYSA-UHFFFAOYSA-N 1 2 363.259 2.417 40 0 FEABLO O=C(CSCc1ccc(Br)cc1)NCC[NH+]1CCOCC1 ZINC000408573977 558687352 /nfs/dbraw/zinc/68/73/52/558687352.db2.gz GPGNDUKHNHZQNZ-UHFFFAOYSA-N 1 2 373.316 2.131 40 0 FEABLO CO[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CC[C@@H]1Cc1ccccc1C ZINC000585291221 570496572 /nfs/dbraw/zinc/49/65/72/570496572.db2.gz NLOHXKKZLFIYOY-HEPPIXLFSA-N 1 2 372.509 2.289 40 0 FEABLO O=C(/C=C/C[NH+]1CCOCC1)N1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]2C1 ZINC000585291581 570496628 /nfs/dbraw/zinc/49/66/28/570496628.db2.gz QKCYFTOTZVVFTK-GGAFJGOMSA-N 1 2 370.493 2.329 40 0 FEABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCNS(=O)(=O)C3CC3)C2)cc1 ZINC000585112019 571225801 /nfs/dbraw/zinc/22/58/01/571225801.db2.gz HDEKVMFNUCAIHM-GOSISDBHSA-N 1 2 374.510 2.220 40 0 FEABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCNS(=O)(=O)C3CC3)C2)cc1 ZINC000585112019 571225802 /nfs/dbraw/zinc/22/58/02/571225802.db2.gz HDEKVMFNUCAIHM-GOSISDBHSA-N 1 2 374.510 2.220 40 0 FEABLO CCCn1cc[nH+]c1CN1CCCC[C@H]1c1n[nH]cc1S(C)(=O)=O ZINC000585182025 571238313 /nfs/dbraw/zinc/23/83/13/571238313.db2.gz FUPQGNBCMOVUBZ-ZDUSSCGKSA-N 1 2 351.476 2.147 40 0 FEABLO Cc1ccnn1C[C@H](C)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000019238344 539653850 /nfs/dbraw/zinc/65/38/50/539653850.db2.gz IUGKWVYTIVIBGM-INIZCTEOSA-N 1 2 372.469 2.177 40 0 FEABLO C[NH+]1CCN(C(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)CC1 ZINC000019589791 539663281 /nfs/dbraw/zinc/66/32/81/539663281.db2.gz WAUGEJUIGPJCFP-UHFFFAOYSA-N 1 2 372.494 2.034 40 0 FEABLO Cc1ncc(C(=O)N2CCCCC2)c([C@@H]2CCCC[N@H+]2CC(=O)N(C)C)n1 ZINC000019766988 539668847 /nfs/dbraw/zinc/66/88/47/539668847.db2.gz FHGWGMKVYHTCOI-KRWDZBQOSA-N 1 2 373.501 2.026 40 0 FEABLO Cc1ncc(C(=O)N2CCCCC2)c([C@@H]2CCCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000019766988 539668850 /nfs/dbraw/zinc/66/88/50/539668850.db2.gz FHGWGMKVYHTCOI-KRWDZBQOSA-N 1 2 373.501 2.026 40 0 FEABLO O=C(COc1ccccc1)N1CCC[C@@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350590 541801189 /nfs/dbraw/zinc/80/11/89/541801189.db2.gz DUOJGMJHWNCPRJ-MRXNPFEDSA-N 1 2 363.421 2.447 40 0 FEABLO COC(=O)c1cccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000066871681 205367382 /nfs/dbraw/zinc/36/73/82/205367382.db2.gz KHEVNPIMXIBBJQ-UHFFFAOYSA-N 1 2 371.418 2.137 40 0 FEABLO Cc1cc(N2C(=[NH2+])S[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1Br ZINC000137843915 206134939 /nfs/dbraw/zinc/13/49/39/206134939.db2.gz XDBWSPUYZIZFSP-WDEREUQCSA-N 1 2 361.286 2.411 40 0 FEABLO NC(=O)C1CC[NH+]([C@@H](c2nnnn2C2CCCCC2)c2ccccc2)CC1 ZINC000057669508 206387673 /nfs/dbraw/zinc/38/76/73/206387673.db2.gz YTHKIKDZTDQGLF-GOSISDBHSA-N 1 2 368.485 2.465 40 0 FEABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccco2)N1CCC[NH+]1CCOCC1 ZINC000223167327 206433256 /nfs/dbraw/zinc/43/32/56/206433256.db2.gz SBJJNBOGLWFBNZ-QZTJIDSGSA-N 1 2 372.494 2.369 40 0 FEABLO Cc1ccc(C[N@@H+]2CCOC[C@]3(CN(c4ccc(F)cc4)C(=O)CO3)C2)o1 ZINC000096051304 132217745 /nfs/dbraw/zinc/21/77/45/132217745.db2.gz FWIYOZKQQHHLRK-HXUWFJFHSA-N 1 2 374.412 2.362 40 0 FEABLO Cc1ccc(C[N@H+]2CCOC[C@]3(CN(c4ccc(F)cc4)C(=O)CO3)C2)o1 ZINC000096051304 132217746 /nfs/dbraw/zinc/21/77/46/132217746.db2.gz FWIYOZKQQHHLRK-HXUWFJFHSA-N 1 2 374.412 2.362 40 0 FEABLO O=C1CO[C@@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1ccoc1)C2 ZINC000096051297 132217769 /nfs/dbraw/zinc/21/77/69/132217769.db2.gz AOMNHWJMYVNSKX-IBGZPJMESA-N 1 2 360.385 2.053 40 0 FEABLO O=C1CO[C@@]2(CN1c1ccc(F)cc1)COCC[N@@H+](Cc1ccoc1)C2 ZINC000096051297 132217770 /nfs/dbraw/zinc/21/77/70/132217770.db2.gz AOMNHWJMYVNSKX-IBGZPJMESA-N 1 2 360.385 2.053 40 0 FEABLO C[C@@H]1CCCCN1c1ccc(NC(=S)NCC[NH+]2CCOCC2)cn1 ZINC000223893346 132280439 /nfs/dbraw/zinc/28/04/39/132280439.db2.gz ZUCNXVZVMKJPFU-OAHLLOKOSA-N 1 2 363.531 2.079 40 0 FEABLO C[C@H]1c2ncc(COCc3ccncc3)n2CC[N@H+]1Cc1cnn(C)c1 ZINC000096111105 542992116 /nfs/dbraw/zinc/99/21/16/542992116.db2.gz LFEGJEKPWZWSKX-HNNXBMFYSA-N 1 2 352.442 2.305 40 0 FEABLO C[C@H]1c2ncc(COCc3ccncc3)n2CC[N@@H+]1Cc1cnn(C)c1 ZINC000096111105 542992118 /nfs/dbraw/zinc/99/21/18/542992118.db2.gz LFEGJEKPWZWSKX-HNNXBMFYSA-N 1 2 352.442 2.305 40 0 FEABLO COc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cn1 ZINC000225779070 548742864 /nfs/dbraw/zinc/74/28/64/548742864.db2.gz UYMFXZNPIIKOHG-UHFFFAOYSA-N 1 2 372.494 2.409 40 0 FEABLO O=C(C[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)NCC1CCOCC1 ZINC000247876898 549388885 /nfs/dbraw/zinc/38/88/85/549388885.db2.gz UFFPGMXLTMZJBU-QGZVFWFLSA-N 1 2 374.510 2.434 40 0 FEABLO O=C(C[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)NCC1CCOCC1 ZINC000247876898 549388889 /nfs/dbraw/zinc/38/88/89/549388889.db2.gz UFFPGMXLTMZJBU-QGZVFWFLSA-N 1 2 374.510 2.434 40 0 FEABLO COc1ccccc1C[N@H+]1Cc2ccnn2[C@H](CCN2CCCC2=O)C1 ZINC000248115417 549406719 /nfs/dbraw/zinc/40/67/19/549406719.db2.gz AVTRDGZHIMWYOV-GOSISDBHSA-N 1 2 354.454 2.461 40 0 FEABLO COc1ccccc1C[N@@H+]1Cc2ccnn2[C@H](CCN2CCCC2=O)C1 ZINC000248115417 549406723 /nfs/dbraw/zinc/40/67/23/549406723.db2.gz AVTRDGZHIMWYOV-GOSISDBHSA-N 1 2 354.454 2.461 40 0 FEABLO Cc1cncc(CO[C@@H]2CCOC3(CN(c4cc(N(C)C)[nH+]cn4)C3)C2)c1 ZINC000248147063 549411419 /nfs/dbraw/zinc/41/14/19/549411419.db2.gz WDRSJOKRYYXXDM-QGZVFWFLSA-N 1 2 369.469 2.201 40 0 FEABLO Cc1cncc(CO[C@@H]2CCOC3(CN(c4cc(N(C)C)nc[nH+]4)C3)C2)c1 ZINC000248147063 549411427 /nfs/dbraw/zinc/41/14/27/549411427.db2.gz WDRSJOKRYYXXDM-QGZVFWFLSA-N 1 2 369.469 2.201 40 0 FEABLO C[C@H]1c2nc(C(=O)NCc3ccccn3)cn2CC[N@H+]1CC1CCOCC1 ZINC000253591126 549696240 /nfs/dbraw/zinc/69/62/40/549696240.db2.gz JYBZTWQPHNPPLX-HNNXBMFYSA-N 1 2 369.469 2.011 40 0 FEABLO C[C@H]1c2nc(C(=O)NCc3ccccn3)cn2CC[N@@H+]1CC1CCOCC1 ZINC000253591126 549696244 /nfs/dbraw/zinc/69/62/44/549696244.db2.gz JYBZTWQPHNPPLX-HNNXBMFYSA-N 1 2 369.469 2.011 40 0 FEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)[nH+]1 ZINC000257249255 549721170 /nfs/dbraw/zinc/72/11/70/549721170.db2.gz JHMRAKMLOISQRK-AWEZNQCLSA-N 1 2 354.410 2.193 40 0 FEABLO CCn1nc(C)c(C[N@@H+]2CCC[C@H]2c2nccc(CNC(C)=O)n2)c1C ZINC000257250455 549722092 /nfs/dbraw/zinc/72/20/92/549722092.db2.gz JMOVQECMGFHQDZ-SFHVURJKSA-N 1 2 356.474 2.283 40 0 FEABLO CCn1nc(C)c(C[N@H+]2CCC[C@H]2c2nccc(CNC(C)=O)n2)c1C ZINC000257250455 549722094 /nfs/dbraw/zinc/72/20/94/549722094.db2.gz JMOVQECMGFHQDZ-SFHVURJKSA-N 1 2 356.474 2.283 40 0 FEABLO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)nc1 ZINC000257264788 549722852 /nfs/dbraw/zinc/72/28/52/549722852.db2.gz LWAKHNXLHHKHCU-GOSISDBHSA-N 1 2 350.426 2.392 40 0 FEABLO O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257302839 549725570 /nfs/dbraw/zinc/72/55/70/549725570.db2.gz SERHDWZOOBXIHG-OAHLLOKOSA-N 1 2 354.414 2.165 40 0 FEABLO CN(c1ccccc1)[C@H]1COC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC000257308271 549726529 /nfs/dbraw/zinc/72/65/29/549726529.db2.gz TWDDJSYYXVNAHF-GOSISDBHSA-N 1 2 354.454 2.170 40 0 FEABLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2OC(F)F)C[C@]12CCCO2 ZINC000257320580 549727517 /nfs/dbraw/zinc/72/75/17/549727517.db2.gz VXKPGQZFZHMPAE-CRAIPNDOSA-N 1 2 370.396 2.496 40 0 FEABLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2OC(F)F)C[C@]12CCCO2 ZINC000257320580 549727519 /nfs/dbraw/zinc/72/75/19/549727519.db2.gz VXKPGQZFZHMPAE-CRAIPNDOSA-N 1 2 370.396 2.496 40 0 FEABLO Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000257336996 549729060 /nfs/dbraw/zinc/72/90/60/549729060.db2.gz YQXVSPRDAGHDDM-HNNXBMFYSA-N 1 2 366.425 2.036 40 0 FEABLO CC(C)Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NCCO)n1 ZINC000328959978 553853286 /nfs/dbraw/zinc/85/32/86/553853286.db2.gz AVYKXMDWVYIIOS-UHFFFAOYSA-N 1 2 356.348 2.111 40 0 FEABLO C[C@@H](CO)Nc1nc(Nc2ccccc2Br)cc(C2CC2)[nH+]1 ZINC000329017459 553864943 /nfs/dbraw/zinc/86/49/43/553864943.db2.gz NMHZZTQFKKKYCT-JTQLQIEISA-N 1 2 363.259 2.497 40 0 FEABLO C[C@@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329018939 553865606 /nfs/dbraw/zinc/86/56/06/553865606.db2.gz NTYHXUMIPRAWAT-ZDUSSCGKSA-N 1 2 369.856 2.441 40 0 FEABLO COc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)c1 ZINC000329018984 553865651 /nfs/dbraw/zinc/86/56/51/553865651.db2.gz NULVAGGECWPJHZ-UHFFFAOYSA-N 1 2 364.449 2.402 40 0 FEABLO OCCNc1nc(Nc2ccc(Br)cc2F)cc(C2CC2)[nH+]1 ZINC000329026528 553867235 /nfs/dbraw/zinc/86/72/35/553867235.db2.gz PMQWJBIPNHACKE-UHFFFAOYSA-N 1 2 367.222 2.247 40 0 FEABLO O=C(CSCc1ccccc1Br)NCC[NH+]1CCOCC1 ZINC000408574624 558687046 /nfs/dbraw/zinc/68/70/46/558687046.db2.gz AKLYSCLBALYNNE-UHFFFAOYSA-N 1 2 373.316 2.131 40 0 FEABLO CS(=O)(=O)CC[C@H]([NH3+])c1nc([C@H](C2CCCC2)n2cccc2)no1 ZINC000409442310 558690734 /nfs/dbraw/zinc/69/07/34/558690734.db2.gz UQLRYFBQHOTXSW-KBPBESRZSA-N 1 2 352.460 2.085 40 0 FEABLO COc1cccc([C@@H]2CO[C@]3(C2)C[N@@H+](Cc2nccn2C)C[C@H]3OC)c1 ZINC000585290961 570496386 /nfs/dbraw/zinc/49/63/86/570496386.db2.gz JKUYCGQBOIMDHW-ILZDJORESA-N 1 2 357.454 2.202 40 0 FEABLO COc1cccc([C@@H]2CO[C@]3(C2)C[N@H+](Cc2nccn2C)C[C@H]3OC)c1 ZINC000585290961 570496389 /nfs/dbraw/zinc/49/63/89/570496389.db2.gz JKUYCGQBOIMDHW-ILZDJORESA-N 1 2 357.454 2.202 40 0 FEABLO C[C@@H]1c2[nH+]cc(CCOc3ccccn3)n2CCN1C(=O)c1cocn1 ZINC000585096913 571221081 /nfs/dbraw/zinc/22/10/81/571221081.db2.gz CHPXXKHZNPQPSQ-CYBMUJFWSA-N 1 2 353.382 2.105 40 0 FEABLO CC(C)N(C)C(=O)C1=NO[C@@]2(C1)CCC[N@H+](Cc1cnn(C(C)C)c1)C2 ZINC000585101318 571222088 /nfs/dbraw/zinc/22/20/88/571222088.db2.gz XVHPIKVLUCYBEP-LJQANCHMSA-N 1 2 361.490 2.442 40 0 FEABLO CC(C)N(C)C(=O)C1=NO[C@@]2(C1)CCC[N@@H+](Cc1cnn(C(C)C)c1)C2 ZINC000585101318 571222091 /nfs/dbraw/zinc/22/20/91/571222091.db2.gz XVHPIKVLUCYBEP-LJQANCHMSA-N 1 2 361.490 2.442 40 0 FEABLO CC(=O)NCc1[nH+]c(C2CCN(C(=O)C3CC(F)C3)CC2)n2ccccc12 ZINC000585113198 571226532 /nfs/dbraw/zinc/22/65/32/571226532.db2.gz ASHHZTJVLPHKCZ-UHFFFAOYSA-N 1 2 372.444 2.425 40 0 FEABLO COCc1ccccc1-c1c[nH+]c2n1CCN(C(=O)c1ccnnc1)CC2 ZINC000585111021 571226725 /nfs/dbraw/zinc/22/67/25/571226725.db2.gz AOBQWNAUYXZENT-UHFFFAOYSA-N 1 2 363.421 2.185 40 0 FEABLO CC(C)(C)C(=O)[C@H]([C@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019365928 539656094 /nfs/dbraw/zinc/65/60/94/539656094.db2.gz QZUIQRACPQHJJM-OALUTQOASA-N 1 2 360.498 2.376 40 0 in-vitro FEABLO COc1cccc(OC[C@H]2CCC[N@H+](CC(=O)Nc3cn(C)nc3C)C2)c1 ZINC000019658840 539664337 /nfs/dbraw/zinc/66/43/37/539664337.db2.gz ZTHDJCUYLISPIP-INIZCTEOSA-N 1 2 372.469 2.467 40 0 FEABLO COc1cccc(OC[C@H]2CCC[N@@H+](CC(=O)Nc3cn(C)nc3C)C2)c1 ZINC000019658840 539664340 /nfs/dbraw/zinc/66/43/40/539664340.db2.gz ZTHDJCUYLISPIP-INIZCTEOSA-N 1 2 372.469 2.467 40 0 FEABLO Cc1c(C[N@@H+]2CCO[C@@H](c3ccc(-c4cncnc4)cn3)C2)cnn1C ZINC000019692590 539665420 /nfs/dbraw/zinc/66/54/20/539665420.db2.gz PTEOTFOUZUIODX-LJQANCHMSA-N 1 2 350.426 2.154 40 0 FEABLO Cc1c(C[N@H+]2CCO[C@@H](c3ccc(-c4cncnc4)cn3)C2)cnn1C ZINC000019692590 539665424 /nfs/dbraw/zinc/66/54/24/539665424.db2.gz PTEOTFOUZUIODX-LJQANCHMSA-N 1 2 350.426 2.154 40 0 FEABLO Cn1cc(C(=O)NC2CCCC2)c(CC2CC[NH+](Cc3ncc[nH]3)CC2)n1 ZINC000019756558 539668957 /nfs/dbraw/zinc/66/89/57/539668957.db2.gz JWKVVAIZOGVZEW-UHFFFAOYSA-N 1 2 370.501 2.270 40 0 FEABLO OCC[N@@H+]1CCO[C@@](O)(c2cc(-c3ccccc3)nc3ccccc32)C1 ZINC000002046178 204024664 /nfs/dbraw/zinc/02/46/64/204024664.db2.gz VWNMNPOOYFEGIH-OAQYLSRUSA-N 1 2 350.418 2.371 40 0 FEABLO OCC[N@H+]1CCO[C@@](O)(c2cc(-c3ccccc3)nc3ccccc32)C1 ZINC000002046178 204024669 /nfs/dbraw/zinc/02/46/69/204024669.db2.gz VWNMNPOOYFEGIH-OAQYLSRUSA-N 1 2 350.418 2.371 40 0 FEABLO CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CCN(C(=O)c1ccncc1)C2 ZINC000096254170 205865843 /nfs/dbraw/zinc/86/58/43/205865843.db2.gz ZICRFEZCLSSKKC-UHFFFAOYSA-N 1 2 352.442 2.465 40 0 FEABLO CSc1nnc([C@H]2CCC[N@H+](CC(=O)NCc3cccs3)C2)n1C ZINC000005001468 206187620 /nfs/dbraw/zinc/18/76/20/206187620.db2.gz IJKOSIRDGKDEGU-LBPRGKRZSA-N 1 2 365.528 2.094 40 0 FEABLO CSc1nnc([C@H]2CCC[N@@H+](CC(=O)NCc3cccs3)C2)n1C ZINC000005001468 206187624 /nfs/dbraw/zinc/18/76/24/206187624.db2.gz IJKOSIRDGKDEGU-LBPRGKRZSA-N 1 2 365.528 2.094 40 0 FEABLO O=C(C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1)Nc1nccs1 ZINC000056294585 206383062 /nfs/dbraw/zinc/38/30/62/206383062.db2.gz CHZXDEFFGVLRDY-UHFFFAOYSA-N 1 2 362.430 2.115 40 0 FEABLO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CC[N@H+](Cc1nccs1)C2 ZINC000096050248 132217537 /nfs/dbraw/zinc/21/75/37/132217537.db2.gz QIEFFAOJSYESJZ-GOSISDBHSA-N 1 2 360.458 2.205 40 0 FEABLO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CC[N@@H+](Cc1nccs1)C2 ZINC000096050248 132217538 /nfs/dbraw/zinc/21/75/38/132217538.db2.gz QIEFFAOJSYESJZ-GOSISDBHSA-N 1 2 360.458 2.205 40 0 FEABLO CN(C)c1cc(N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)nc[nH+]1 ZINC000257302013 132296811 /nfs/dbraw/zinc/29/68/11/132296811.db2.gz SAZGSLDVMXYEIB-FQEVSTJZSA-N 1 2 353.470 2.466 40 0 FEABLO CN(C)c1cc(N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)[nH+]cn1 ZINC000257302013 132296812 /nfs/dbraw/zinc/29/68/12/132296812.db2.gz SAZGSLDVMXYEIB-FQEVSTJZSA-N 1 2 353.470 2.466 40 0 FEABLO COc1cc2c(cc1OC)CN(c1cc(N[C@@H](CO)C(C)C)[nH+]cn1)CC2 ZINC000329006321 132372218 /nfs/dbraw/zinc/37/22/18/132372218.db2.gz LCZWGCRTBIZHPH-INIZCTEOSA-N 1 2 372.469 2.485 40 0 FEABLO COc1cc2c(cc1OC)CN(c1cc(N[C@@H](CO)C(C)C)nc[nH+]1)CC2 ZINC000329006321 132372219 /nfs/dbraw/zinc/37/22/19/132372219.db2.gz LCZWGCRTBIZHPH-INIZCTEOSA-N 1 2 372.469 2.485 40 0 FEABLO CC(C)[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670376 136129981 /nfs/dbraw/zinc/12/99/81/136129981.db2.gz AEGZEFHWBRJXEF-OALUTQOASA-N 1 2 370.501 2.371 40 0 FEABLO Cc1nc(CN2CCOC[C@@]3(C[N@H+](Cc4ccoc4)CCO3)C2)cs1 ZINC000096049808 542988863 /nfs/dbraw/zinc/98/88/63/542988863.db2.gz TWTCRMRBRMMVPS-GOSISDBHSA-N 1 2 363.483 2.148 40 0 FEABLO Cc1nc(CN2CCOC[C@@]3(C[N@@H+](Cc4ccoc4)CCO3)C2)cs1 ZINC000096049808 542988866 /nfs/dbraw/zinc/98/88/66/542988866.db2.gz TWTCRMRBRMMVPS-GOSISDBHSA-N 1 2 363.483 2.148 40 0 FEABLO Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(Cc2cnn[nH]2)C3)s1 ZINC000096049503 542988895 /nfs/dbraw/zinc/98/88/95/542988895.db2.gz PHKWJDLKYVQPOK-GOSISDBHSA-N 1 2 361.515 2.289 40 0 FEABLO Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(Cc2cnn[nH]2)C3)s1 ZINC000096049503 542988899 /nfs/dbraw/zinc/98/88/99/542988899.db2.gz PHKWJDLKYVQPOK-GOSISDBHSA-N 1 2 361.515 2.289 40 0 FEABLO O=C(Cc1ccco1)N1Cc2c[nH+]cn2C[C@H](COc2ccccn2)C1 ZINC000096207137 542995993 /nfs/dbraw/zinc/99/59/93/542995993.db2.gz BDSJHMXVASGZCQ-OAHLLOKOSA-N 1 2 352.394 2.151 40 0 FEABLO Cc1cnc(C(=O)N2CCC[C@@]3(C[C@@H](Nc4cccc[nH+]4)CO3)C2)cn1 ZINC000096222952 542996494 /nfs/dbraw/zinc/99/64/94/542996494.db2.gz USKMZEFTNSHLLM-DNVCBOLYSA-N 1 2 353.426 2.056 40 0 FEABLO CN(C)C(=O)c1cn(-c2[nH+]c(CNc3cccnc3)c3ccccn32)cn1 ZINC000096267078 542997959 /nfs/dbraw/zinc/99/79/59/542997959.db2.gz RFPFZPULBZUVAN-UHFFFAOYSA-N 1 2 361.409 2.229 40 0 FEABLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(Cc1ccc(F)cc1)C2 ZINC000096059601 542990472 /nfs/dbraw/zinc/99/04/72/542990472.db2.gz ZIPPZEGKFQKHEQ-UHFFFAOYSA-N 1 2 353.401 2.033 40 0 FEABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccc[nH]2)N1CCC[NH+]1CCOCC1 ZINC000223169282 548716551 /nfs/dbraw/zinc/71/65/51/548716551.db2.gz NYQSGGRTISJJTH-MSOLQXFVSA-N 1 2 371.510 2.105 40 0 FEABLO C[C@@H]1c2nc(C(=O)NCc3cccnc3)cn2CC[N@H+]1CC1CCOCC1 ZINC000253592313 549697621 /nfs/dbraw/zinc/69/76/21/549697621.db2.gz UXNAXNACGDWDGO-OAHLLOKOSA-N 1 2 369.469 2.011 40 0 FEABLO C[C@@H]1c2nc(C(=O)NCc3cccnc3)cn2CC[N@@H+]1CC1CCOCC1 ZINC000253592313 549697625 /nfs/dbraw/zinc/69/76/25/549697625.db2.gz UXNAXNACGDWDGO-OAHLLOKOSA-N 1 2 369.469 2.011 40 0 FEABLO CN(C)c1cc([C@@H]2CCCN2C(=O)Cn2nnc3ccccc32)cc[nH+]1 ZINC000257259926 549721794 /nfs/dbraw/zinc/72/17/94/549721794.db2.gz LARMPIKUNISHRQ-INIZCTEOSA-N 1 2 350.426 2.256 40 0 FEABLO COCC(=O)N1CCO[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000257284582 549724132 /nfs/dbraw/zinc/72/41/32/549724132.db2.gz PDGGGBGDFJLMGX-KRWDZBQOSA-N 1 2 371.441 2.087 40 0 FEABLO CNC(=O)c1sc2nccnc2c1[C@H]1CC[N@H+](Cc2cscn2)C1 ZINC000257326281 549727755 /nfs/dbraw/zinc/72/77/55/549727755.db2.gz WWPJTTKHPHUJFG-JTQLQIEISA-N 1 2 359.480 2.497 40 0 FEABLO CNC(=O)c1sc2nccnc2c1[C@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000257326281 549727757 /nfs/dbraw/zinc/72/77/57/549727757.db2.gz WWPJTTKHPHUJFG-JTQLQIEISA-N 1 2 359.480 2.497 40 0 FEABLO Cc1cccc(S(=O)(=O)N2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)c1 ZINC000306130380 553749124 /nfs/dbraw/zinc/74/91/24/553749124.db2.gz JEMKZORWHKHOFQ-CGTJXYLNSA-N 1 2 373.478 2.138 40 0 FEABLO C[C@@H](CO)Nc1nc(Nc2ccc(N3CCOCC3)cc2)cc(C2CC2)[nH+]1 ZINC000329010066 571135197 /nfs/dbraw/zinc/13/51/97/571135197.db2.gz LYQAUHJSVTVRST-AWEZNQCLSA-N 1 2 369.469 2.727 40 0 FEABLO Cn1c[nH+]c2c1C[C@@H](COc1ncccn1)N(C(=O)C1=CCCCC1)C2 ZINC000585094625 571219448 /nfs/dbraw/zinc/21/94/48/571219448.db2.gz FYXVTKWYEHCVOO-HNNXBMFYSA-N 1 2 353.426 2.043 40 0 FEABLO CCc1ccc(C[NH+]2CC3(C2)CC[C@H](CNS(=O)(=O)CC)CO3)cc1 ZINC000585103687 571222617 /nfs/dbraw/zinc/22/26/17/571222617.db2.gz CXASQLUVYBBKGA-GOSISDBHSA-N 1 2 366.527 2.169 40 0 FEABLO CCn1c(C[N@@H+]2CC[C@H](c3cc(C(=O)N(C)C)n[nH]3)C2)nc2ccccc21 ZINC000019707682 539666686 /nfs/dbraw/zinc/66/66/86/539666686.db2.gz LMSCXIVEKSEIOD-AWEZNQCLSA-N 1 2 366.469 2.471 40 0 FEABLO CCn1c(C[N@H+]2CC[C@H](c3cc(C(=O)N(C)C)n[nH]3)C2)nc2ccccc21 ZINC000019707682 539666688 /nfs/dbraw/zinc/66/66/88/539666688.db2.gz LMSCXIVEKSEIOD-AWEZNQCLSA-N 1 2 366.469 2.471 40 0 FEABLO Cc1ncc(C(=O)N2CCCCC2)c([C@H]2CCCC[N@H+]2CC(=O)N(C)C)n1 ZINC000019766986 539669386 /nfs/dbraw/zinc/66/93/86/539669386.db2.gz FHGWGMKVYHTCOI-QGZVFWFLSA-N 1 2 373.501 2.026 40 0 FEABLO Cc1ncc(C(=O)N2CCCCC2)c([C@H]2CCCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000019766986 539669388 /nfs/dbraw/zinc/66/93/88/539669388.db2.gz FHGWGMKVYHTCOI-QGZVFWFLSA-N 1 2 373.501 2.026 40 0 FEABLO CN(C)C(=O)OCCN1CC[NH+](CCCC(=O)c2cccs2)CC1 ZINC000022463320 539696027 /nfs/dbraw/zinc/69/60/27/539696027.db2.gz KODWJTJZIKCBSV-UHFFFAOYSA-N 1 2 353.488 2.027 40 0 in-man FEABLO COc1ccc(CCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000030756440 539890464 /nfs/dbraw/zinc/89/04/64/539890464.db2.gz IOLRLEZDFGMDPG-UHFFFAOYSA-N 1 2 354.450 2.500 40 0 FEABLO Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3[N@@H+]1CC(C)(C)CN1CCOCC1 ZINC000072336959 541800621 /nfs/dbraw/zinc/80/06/21/541800621.db2.gz NVFWKHDXSYVDRY-AEFFLSMTSA-N 1 2 369.513 2.458 40 0 FEABLO Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3[N@H+]1CC(C)(C)CN1CCOCC1 ZINC000072336959 541800623 /nfs/dbraw/zinc/80/06/23/541800623.db2.gz NVFWKHDXSYVDRY-AEFFLSMTSA-N 1 2 369.513 2.458 40 0 FEABLO Cc1cc(Nc2cnccn2)nc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072360089 541801860 /nfs/dbraw/zinc/80/18/60/541801860.db2.gz VLDRIVHEGNISCF-CQSZACIVSA-N 1 2 350.430 2.421 40 0 FEABLO Cc1cc(Nc2cnccn2)nc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072360089 541801862 /nfs/dbraw/zinc/80/18/62/541801862.db2.gz VLDRIVHEGNISCF-CQSZACIVSA-N 1 2 350.430 2.421 40 0 FEABLO C[N@@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)CCc1ccc(F)cc1)CC2 ZINC000072380239 541803568 /nfs/dbraw/zinc/80/35/68/541803568.db2.gz OPLVDGRRXDZNAE-KRWDZBQOSA-N 1 2 371.460 2.201 40 0 FEABLO C[N@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)CCc1ccc(F)cc1)CC2 ZINC000072380239 541803569 /nfs/dbraw/zinc/80/35/69/541803569.db2.gz OPLVDGRRXDZNAE-KRWDZBQOSA-N 1 2 371.460 2.201 40 0 FEABLO CCN1CCn2c(C)c[nH+]c2C12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000096263315 205868235 /nfs/dbraw/zinc/86/82/35/205868235.db2.gz AFPFQXWZNGTLDF-UHFFFAOYSA-N 1 2 374.510 2.207 40 0 FEABLO Cc1ccccc1C(=O)NC1CC[NH+](CC(=O)Nc2nccs2)CC1 ZINC000052747208 206222382 /nfs/dbraw/zinc/22/23/82/206222382.db2.gz FATVQEZGGRSPKG-UHFFFAOYSA-N 1 2 358.467 2.284 40 0 FEABLO CCCS(=O)(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(C)cc3)no2)[N@H+](C)C1 ZINC000012529766 206292374 /nfs/dbraw/zinc/29/23/74/206292374.db2.gz ACZYMSWWWBHVTQ-GJZGRUSLSA-N 1 2 364.471 2.120 40 0 biogenic,in-vitro FEABLO CCCS(=O)(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(C)cc3)no2)[N@@H+](C)C1 ZINC000012529766 206292378 /nfs/dbraw/zinc/29/23/78/206292378.db2.gz ACZYMSWWWBHVTQ-GJZGRUSLSA-N 1 2 364.471 2.120 40 0 biogenic,in-vitro FEABLO Cc1ccccc1CC(=O)N(C)C[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257339576 132297511 /nfs/dbraw/zinc/29/75/11/132297511.db2.gz ZCJGDCVUSKWNJX-NRFANRHFSA-N 1 2 353.466 2.422 40 0 FEABLO O=C(CN1C(=O)N2CCC[NH+]=C2c2ccccc21)NCc1cccs1 ZINC000072335724 136144584 /nfs/dbraw/zinc/14/45/84/136144584.db2.gz IDPDHPVPKGSVFL-UHFFFAOYSA-N 1 2 354.435 2.457 40 0 FEABLO COc1ccc(C[N@@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)c(OC)c1 ZINC000100775079 543025990 /nfs/dbraw/zinc/02/59/90/543025990.db2.gz JZNLJTRLXNGHAG-UHFFFAOYSA-N 1 2 368.437 2.361 40 0 FEABLO COc1ccc(C[N@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)c(OC)c1 ZINC000100775079 543025994 /nfs/dbraw/zinc/02/59/94/543025994.db2.gz JZNLJTRLXNGHAG-UHFFFAOYSA-N 1 2 368.437 2.361 40 0 FEABLO O=C(NCCc1cccs1)[C@@H]1CN(Cc2ccco2)Cc2c[nH+]cn21 ZINC000247463154 549337615 /nfs/dbraw/zinc/33/76/15/549337615.db2.gz BRDXXMVGSUBCAS-KRWDZBQOSA-N 1 2 356.451 2.453 40 0 FEABLO O=C(NCCOc1ccc(F)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000224345414 548728685 /nfs/dbraw/zinc/72/86/85/548728685.db2.gz TVWNDVJDMKDRLJ-UHFFFAOYSA-N 1 2 358.413 2.467 40 0 FEABLO CNc1nc([C@H]2CCN(C(=O)CC3CCCC3)C2)nc2c1C[N@H+](C)CC2 ZINC000257270448 549722894 /nfs/dbraw/zinc/72/28/94/549722894.db2.gz MUGSADDFWDOGRP-HNNXBMFYSA-N 1 2 357.502 2.402 40 0 FEABLO CNc1nc([C@H]2CCN(C(=O)CC3CCCC3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257270448 549722896 /nfs/dbraw/zinc/72/28/96/549722896.db2.gz MUGSADDFWDOGRP-HNNXBMFYSA-N 1 2 357.502 2.402 40 0 FEABLO Cc1[nH]ncc1C[NH+]1CCC(Cc2cnc(Nc3cnccn3)cn2)CC1 ZINC000257324348 549727697 /nfs/dbraw/zinc/72/76/97/549727697.db2.gz WOGKLJAXOWRQRX-UHFFFAOYSA-N 1 2 364.457 2.496 40 0 FEABLO COc1cc(CCC(=O)N2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)on1 ZINC000257330760 549728606 /nfs/dbraw/zinc/72/86/06/549728606.db2.gz XPUDHTNYKADVBZ-HNNXBMFYSA-N 1 2 358.442 2.483 40 0 FEABLO CCOc1ccccc1-c1nnc(SCC(=O)N2CC[NH+](C)CC2)o1 ZINC000301818936 553682451 /nfs/dbraw/zinc/68/24/51/553682451.db2.gz PLBIIKXYQMBDRF-UHFFFAOYSA-N 1 2 362.455 2.001 40 0 FEABLO c1cc2n(n1)[C@H](COc1ncccn1)C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000306127978 553748953 /nfs/dbraw/zinc/74/89/53/553748953.db2.gz GMTLPYBXTHGLRR-INIZCTEOSA-N 1 2 365.393 2.038 40 0 FEABLO c1cc2n(n1)[C@H](COc1ncccn1)C[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000306127978 553748956 /nfs/dbraw/zinc/74/89/56/553748956.db2.gz GMTLPYBXTHGLRR-INIZCTEOSA-N 1 2 365.393 2.038 40 0 FEABLO Cc1noc(C)c1C[N@H+]1Cc2ccnn2C[C@H](CNc2ncccn2)C1 ZINC000306130409 553749251 /nfs/dbraw/zinc/74/92/51/553749251.db2.gz JFGZKJZZCVUABW-OAHLLOKOSA-N 1 2 353.430 2.022 40 0 FEABLO Cc1noc(C)c1C[N@@H+]1Cc2ccnn2C[C@H](CNc2ncccn2)C1 ZINC000306130409 553749253 /nfs/dbraw/zinc/74/92/53/553749253.db2.gz JFGZKJZZCVUABW-OAHLLOKOSA-N 1 2 353.430 2.022 40 0 FEABLO C[C@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@H+]1Cc1cn[nH]c1 ZINC000585097409 571220482 /nfs/dbraw/zinc/22/04/82/571220482.db2.gz LHVBOQDPYSRUOR-NSHDSACASA-N 1 2 359.821 2.205 40 0 FEABLO C[C@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585097409 571220483 /nfs/dbraw/zinc/22/04/83/571220483.db2.gz LHVBOQDPYSRUOR-NSHDSACASA-N 1 2 359.821 2.205 40 0 FEABLO Cc1cc(N2CCOCC2)nc(SCC(=O)NCCc2ccccc2)[nH+]1 ZINC000005537619 539412664 /nfs/dbraw/zinc/41/26/64/539412664.db2.gz YVOLPNWXPKPXBE-UHFFFAOYSA-N 1 2 372.494 2.073 40 0 FEABLO CCn1cc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c(C)n1 ZINC000012325267 539553894 /nfs/dbraw/zinc/55/38/94/539553894.db2.gz UCWROQYJAQMJRP-HNNXBMFYSA-N 1 2 370.906 2.446 40 0 FEABLO Cc1cnc(-c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccc(F)c(F)c2)CC3)cn1 ZINC000019239070 539653054 /nfs/dbraw/zinc/65/30/54/539653054.db2.gz YHTGQSVQEKPOAK-UHFFFAOYSA-N 1 2 369.375 2.372 40 0 FEABLO Cc1cnc(-c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc(F)c(F)c2)CC3)cn1 ZINC000019239070 539653057 /nfs/dbraw/zinc/65/30/57/539653057.db2.gz YHTGQSVQEKPOAK-UHFFFAOYSA-N 1 2 369.375 2.372 40 0 FEABLO COc1ccc(OC)c([C@H](O)CN2CC[NH+](Cc3ncccc3C)CC2)c1 ZINC000019237816 539653498 /nfs/dbraw/zinc/65/34/98/539653498.db2.gz PVFQRCIFCSZMRE-HXUWFJFHSA-N 1 2 371.481 2.258 40 0 FEABLO COc1ccc(OC)c([C@H](O)C[NH+]2CCN(Cc3ncccc3C)CC2)c1 ZINC000019237816 539653500 /nfs/dbraw/zinc/65/35/00/539653500.db2.gz PVFQRCIFCSZMRE-HXUWFJFHSA-N 1 2 371.481 2.258 40 0 FEABLO C[C@@H](CC(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3C)ncc2C1)n1cccn1 ZINC000019455373 539657545 /nfs/dbraw/zinc/65/75/45/539657545.db2.gz MVTKYVNRLAWGNE-MAUKXSAKSA-N 1 2 368.485 2.366 40 0 FEABLO C[C@@H](CC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3C)ncc2C1)n1cccn1 ZINC000019455373 539657547 /nfs/dbraw/zinc/65/75/47/539657547.db2.gz MVTKYVNRLAWGNE-MAUKXSAKSA-N 1 2 368.485 2.366 40 0 FEABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2F)C3)C[C@H](C)O1 ZINC000072347189 541800908 /nfs/dbraw/zinc/80/09/08/541800908.db2.gz ZSWSHDIFVDAKBP-KBPBESRZSA-N 1 2 372.444 2.081 40 0 FEABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2F)C3)C[C@H](C)O1 ZINC000072347189 541800914 /nfs/dbraw/zinc/80/09/14/541800914.db2.gz ZSWSHDIFVDAKBP-KBPBESRZSA-N 1 2 372.444 2.081 40 0 FEABLO Cc1c[nH+]c(N)c(C(=O)C2CCN(C(=O)c3cnc(C)nc3C)CC2)c1 ZINC000072373409 541802188 /nfs/dbraw/zinc/80/21/88/541802188.db2.gz PZLDESPJIMWZHD-UHFFFAOYSA-N 1 2 353.426 2.114 40 0 FEABLO c1ccc2c(c1)nc1n2C2(CCCC2)NC2=[NH+]CN(C[C@@H]3CCCO3)CN12 ZINC000054095989 205198014 /nfs/dbraw/zinc/19/80/14/205198014.db2.gz BDTXXWGCSGDPBX-HNNXBMFYSA-N 1 2 366.469 2.438 40 0 FEABLO CCn1cc(S(=O)(=O)Nc2ccccc2OCC[NH+]2CCCC2)cn1 ZINC000057823206 205245409 /nfs/dbraw/zinc/24/54/09/205245409.db2.gz XDVSWCFNROZDKA-UHFFFAOYSA-N 1 2 364.471 2.178 40 0 FEABLO CCc1noc(C)c1C(=O)N(C)C[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257233232 132295363 /nfs/dbraw/zinc/29/53/63/132295363.db2.gz GOIYJUNZSLWYCH-LJQANCHMSA-N 1 2 358.442 2.044 40 0 FEABLO CN(C)c1nc2c(c(N3CCC[C@H](O)C3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000072347594 136144871 /nfs/dbraw/zinc/14/48/71/136144871.db2.gz BNLZIKHSSNPZHD-KRWDZBQOSA-N 1 2 367.497 2.062 40 0 FEABLO CN(C)c1nc2c(c(N3CCC[C@H](O)C3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000072347594 136144872 /nfs/dbraw/zinc/14/48/72/136144872.db2.gz BNLZIKHSSNPZHD-KRWDZBQOSA-N 1 2 367.497 2.062 40 0 FEABLO Cn1c2cc(C(=O)N3CC[NH+](C)CC3)n(-c3ncccn3)c2c2ccccc21 ZINC000096146328 542993599 /nfs/dbraw/zinc/99/35/99/542993599.db2.gz NUYGHQCOVXCPIX-UHFFFAOYSA-N 1 2 374.448 2.300 40 0 FEABLO Cc1ncccc1NC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096226118 542995970 /nfs/dbraw/zinc/99/59/70/542995970.db2.gz JBROQOXRWQAPOZ-LJQANCHMSA-N 1 2 351.410 2.145 40 0 FEABLO Cc1ncccc1NC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096226118 542995971 /nfs/dbraw/zinc/99/59/71/542995971.db2.gz JBROQOXRWQAPOZ-LJQANCHMSA-N 1 2 351.410 2.145 40 0 FEABLO O=S(=O)(C1CC1)N1CCC(F)(F)[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096239629 542997045 /nfs/dbraw/zinc/99/70/45/542997045.db2.gz XSLOULZNLBAACY-HNNXBMFYSA-N 1 2 357.426 2.111 40 0 FEABLO CN(C)c1nc(N2CCCC2)[nH+]c2c1CN(C(=O)Cc1ccsc1)CC2 ZINC000096253979 542997523 /nfs/dbraw/zinc/99/75/23/542997523.db2.gz CMFOGYGBBAOCPB-UHFFFAOYSA-N 1 2 371.510 2.332 40 0 FEABLO Cn1c[nH+]c2c1[C@H](COCC1CCOCC1)CN(C(=O)C1=CCCC1)C2 ZINC000096045020 542989487 /nfs/dbraw/zinc/98/94/87/542989487.db2.gz ILKOIMGGYROQRZ-KRWDZBQOSA-N 1 2 359.470 2.399 40 0 FEABLO O=C(NCc1cccnc1)[C@H]1CN(Cc2cccc(F)c2)Cc2c[nH+]cn21 ZINC000247525389 549349553 /nfs/dbraw/zinc/34/95/53/549349553.db2.gz ZDGZFWNHBKICND-LJQANCHMSA-N 1 2 365.412 2.291 40 0 FEABLO COC(=O)c1ccccc1NC(=S)N1CC[NH+](Cc2ccccn2)CC1 ZINC000225226127 548732681 /nfs/dbraw/zinc/73/26/81/548732681.db2.gz QWKRMKWANHRSRT-UHFFFAOYSA-N 1 2 370.478 2.383 40 0 FEABLO O=S1(=O)CC[C@H](COCc2ccccn2)C12C[NH+](C1CCCC1)C2 ZINC000247346320 549322514 /nfs/dbraw/zinc/32/25/14/549322514.db2.gz UPUMLZDIDHSONC-OAHLLOKOSA-N 1 2 350.484 2.030 40 0 FEABLO CN(C)c1cc(N2CC3(C2)OCC[C@H]3CCOc2cccnc2)nc[nH+]1 ZINC000248069383 549404724 /nfs/dbraw/zinc/40/47/24/549404724.db2.gz AREASULUYYLIDY-OAHLLOKOSA-N 1 2 355.442 2.002 40 0 FEABLO CN(C)c1cc(N2CC3(C2)OCC[C@H]3CCOc2cccnc2)[nH+]cn1 ZINC000248069383 549404727 /nfs/dbraw/zinc/40/47/27/549404727.db2.gz AREASULUYYLIDY-OAHLLOKOSA-N 1 2 355.442 2.002 40 0 FEABLO Cn1cc(C[NH+]2CC3(C2)C[C@@H](CCOc2ncccc2F)CCO3)cn1 ZINC000248149755 549411480 /nfs/dbraw/zinc/41/14/80/549411480.db2.gz SVXRRNUIZMZSGF-HNNXBMFYSA-N 1 2 360.433 2.404 40 0 FEABLO Cc1ccsc1C[NH+]1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O ZINC000253599948 549697210 /nfs/dbraw/zinc/69/72/10/549697210.db2.gz YWOFDEKZMWBIPJ-HNNXBMFYSA-N 1 2 355.525 2.472 40 0 FEABLO O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257200451 549717018 /nfs/dbraw/zinc/71/70/18/549717018.db2.gz ADJWPYCJXGTAJS-HNNXBMFYSA-N 1 2 354.414 2.165 40 0 FEABLO COc1ccccc1[C@H]1Cn2c(C)c[nH+]c2CN1C(=O)c1cnn(C)c1 ZINC000257275528 549724482 /nfs/dbraw/zinc/72/44/82/549724482.db2.gz NPTXQKXMVORQJC-MRXNPFEDSA-N 1 2 351.410 2.331 40 0 FEABLO CNc1cncc([C@@H]2CCCN2C(=O)Cc2c(C)[nH+]c3ccccn32)n1 ZINC000257293016 549725403 /nfs/dbraw/zinc/72/54/03/549725403.db2.gz QNUYDBXRDYDFBN-HNNXBMFYSA-N 1 2 350.426 2.381 40 0 FEABLO CCn1cc(C[NH+]2CC3(C2)C[C@@H](CCOc2cncc(C)n2)CCO3)cn1 ZINC000306130015 553748917 /nfs/dbraw/zinc/74/89/17/553748917.db2.gz ITZJFQRXWXRFJC-KRWDZBQOSA-N 1 2 371.485 2.452 40 0 FEABLO Cc1cccc(C[NH+]2CC3(C2)CC[C@@H](CNC(=O)N2CCCC2)CO3)n1 ZINC000306132661 553749579 /nfs/dbraw/zinc/74/95/79/553749579.db2.gz LOORHFROKRUBRO-KRWDZBQOSA-N 1 2 358.486 2.176 40 0 FEABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)C3CC3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136931 553750794 /nfs/dbraw/zinc/75/07/94/553750794.db2.gz QHAHPLXIOSZUIY-UTKZUKDTSA-N 1 2 370.497 2.429 40 0 FEABLO C[C@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329018935 553865780 /nfs/dbraw/zinc/86/57/80/553865780.db2.gz NTYHXUMIPRAWAT-CYBMUJFWSA-N 1 2 369.856 2.441 40 0 FEABLO CS(=O)(=O)CC[C@H]([NH3+])c1nc([C@@H](c2cccs2)n2cccc2)no1 ZINC000409439386 558690912 /nfs/dbraw/zinc/69/09/12/558690912.db2.gz GYGYKRRPXMMAFM-WCQYABFASA-N 1 2 366.468 2.005 40 0 FEABLO CO[C@H]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C[C@H]1Cc1ccc(C)cc1 ZINC000585290817 570496613 /nfs/dbraw/zinc/49/66/13/570496613.db2.gz GTVXSDCBEPESQD-IEOLRMJASA-N 1 2 372.509 2.289 40 0 FEABLO CC(C)CC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000585096022 571220965 /nfs/dbraw/zinc/22/09/65/571220965.db2.gz LSZRSCYBTRNRIZ-INIZCTEOSA-N 1 2 360.483 2.233 40 0 FEABLO Cn1nccc1C(=O)NCC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21 ZINC000585111757 571225790 /nfs/dbraw/zinc/22/57/90/571225790.db2.gz APUGRUXUUIFNCB-OAHLLOKOSA-N 1 2 370.482 2.055 40 0 FEABLO Cn1nccc1C(=O)NCC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21 ZINC000585111757 571225791 /nfs/dbraw/zinc/22/57/91/571225791.db2.gz APUGRUXUUIFNCB-OAHLLOKOSA-N 1 2 370.482 2.055 40 0 FEABLO COCc1cccc(-c2c[nH+]c3n2CCN(C(=O)[C@@H]2CCOC2)CC3)c1 ZINC000585111228 571226678 /nfs/dbraw/zinc/22/66/78/571226678.db2.gz KJTWKWUPLICOBH-QGZVFWFLSA-N 1 2 355.438 2.118 40 0 FEABLO Cc1cc(C(F)(F)F)nn1C[C@H](C)c1[nH]n2cnc3nncc-3c2[nH+]1 ZINC000006412861 539428227 /nfs/dbraw/zinc/42/82/27/539428227.db2.gz ZDQQCIVKQFMOAT-ZETCQYMHSA-N 1 2 350.308 2.328 40 0 FEABLO CC(C)c1cc(C(=O)N2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)n[nH]1 ZINC000019451883 539657494 /nfs/dbraw/zinc/65/74/94/539657494.db2.gz RDTSOZJZWSAPLZ-OAHLLOKOSA-N 1 2 354.458 2.336 40 0 FEABLO C[NH+]1CCN(C(=O)C2(NC(=O)Nc3cccc(F)c3)CCCCC2)CC1 ZINC000026439996 539786564 /nfs/dbraw/zinc/78/65/64/539786564.db2.gz ITDYIZHUKNXDFG-UHFFFAOYSA-N 1 2 362.449 2.424 40 0 FEABLO Cc1ccc(S(=O)(=O)NC[C@@H]2CCc3[nH+]cc(-c4cnn(C)c4)n32)cc1 ZINC000306142973 203791949 /nfs/dbraw/zinc/79/19/49/203791949.db2.gz XPNCEZVLKYEENX-HNNXBMFYSA-N 1 2 371.466 2.058 40 0 FEABLO O=C(NCCCn1cc[nH+]c1)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 ZINC000004902927 206185363 /nfs/dbraw/zinc/18/53/63/206185363.db2.gz HGYHCJHPQQHYJP-JXAWBTAJSA-N 1 2 363.421 2.189 40 0 FEABLO CCc1nn2c(nnc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccccc1 ZINC000013639281 206305091 /nfs/dbraw/zinc/30/50/91/206305091.db2.gz BMGSRAYNPOAETF-UHFFFAOYSA-N 1 2 364.453 2.050 40 0 FEABLO CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)[NH+]1CCC(C(N)=O)CC1 ZINC000057669941 206387667 /nfs/dbraw/zinc/38/76/67/206387667.db2.gz JNNVKHUJSOXLLC-MRXNPFEDSA-N 1 2 356.474 2.105 40 0 FEABLO CC(=O)N1CC2(CCN(C(=O)CCn3cc[nH+]c3)CC2)Nc2ccccc21 ZINC000072327195 136144213 /nfs/dbraw/zinc/14/42/13/136144213.db2.gz MCXNYONJTMZUQZ-UHFFFAOYSA-N 1 2 367.453 2.113 40 0 FEABLO Cc1csc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@H]3C2)n1 ZINC000096043275 542987862 /nfs/dbraw/zinc/98/78/62/542987862.db2.gz CFWZMWRJKUXDJA-IMJJTQAJSA-N 1 2 358.467 2.465 40 0 FEABLO Cc1csc(C[N@H+]2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@H]3C2)n1 ZINC000096043275 542987867 /nfs/dbraw/zinc/98/78/67/542987867.db2.gz CFWZMWRJKUXDJA-IMJJTQAJSA-N 1 2 358.467 2.465 40 0 FEABLO COc1cccc(CCNC(=O)[C@@H]2c3c(ncn3C)CC[N@@H+]2C(C)C)c1 ZINC000096147153 542993525 /nfs/dbraw/zinc/99/35/25/542993525.db2.gz HBZSHNPTQJSJGN-IBGZPJMESA-N 1 2 356.470 2.095 40 0 FEABLO COc1cccc(CCNC(=O)[C@@H]2c3c(ncn3C)CC[N@H+]2C(C)C)c1 ZINC000096147153 542993528 /nfs/dbraw/zinc/99/35/28/542993528.db2.gz HBZSHNPTQJSJGN-IBGZPJMESA-N 1 2 356.470 2.095 40 0 FEABLO Cn1cc(C(=O)N2CC[C@@]3(C2)CCC[C@H](CNc2cccc[nH+]2)O3)cn1 ZINC000096220632 542996135 /nfs/dbraw/zinc/99/61/35/542996135.db2.gz LTHMYCPOMMZGCV-VQIMIIECSA-N 1 2 355.442 2.081 40 0 FEABLO Cc1cc(CN2Cc3c[nH+]cn3C[C@H](COCc3ccccn3)C2)no1 ZINC000096207447 542996280 /nfs/dbraw/zinc/99/62/80/542996280.db2.gz DXKUDQHGRBGGMY-MRXNPFEDSA-N 1 2 353.426 2.423 40 0 FEABLO O=C(Cc1ccccn1)N1CC[C@]2(C1)C[C@H](Nc1cccc[nH+]1)CCO2 ZINC000096217711 542996335 /nfs/dbraw/zinc/99/63/35/542996335.db2.gz MULKHGMPPVEOPR-YLJYHZDGSA-N 1 2 352.438 2.281 40 0 FEABLO Cn1ccnc1C[N@@H+]1CCOC[C@]2(C[C@H](CNc3ccccc3)CO2)C1 ZINC000096240413 542996863 /nfs/dbraw/zinc/99/68/63/542996863.db2.gz OWJVHMMTWBUSTI-XLIONFOSSA-N 1 2 356.470 2.140 40 0 FEABLO Cn1ccnc1C[N@H+]1CCOC[C@]2(C[C@H](CNc3ccccc3)CO2)C1 ZINC000096240413 542996866 /nfs/dbraw/zinc/99/68/66/542996866.db2.gz OWJVHMMTWBUSTI-XLIONFOSSA-N 1 2 356.470 2.140 40 0 FEABLO Cn1cc[nH+]c1CN1CCOC[C@]2(C[C@H](CNc3ccccc3)CO2)C1 ZINC000096240413 542996867 /nfs/dbraw/zinc/99/68/67/542996867.db2.gz OWJVHMMTWBUSTI-XLIONFOSSA-N 1 2 356.470 2.140 40 0 FEABLO O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096076319 542990347 /nfs/dbraw/zinc/99/03/47/542990347.db2.gz FGMZZPNUGDABGZ-FQEVSTJZSA-N 1 2 358.486 2.252 40 0 FEABLO O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096076319 542990349 /nfs/dbraw/zinc/99/03/49/542990349.db2.gz FGMZZPNUGDABGZ-FQEVSTJZSA-N 1 2 358.486 2.252 40 0 FEABLO CCn1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCOCc2ccncc2)cn1 ZINC000249688277 549616362 /nfs/dbraw/zinc/61/63/62/549616362.db2.gz IGBSYYRZDFITAI-IBGZPJMESA-N 1 2 356.470 2.496 40 0 FEABLO Cc1ccnc(OC[C@H]2CN(C(=O)c3ccccc3F)Cc3c[nH+]cn32)n1 ZINC000253478092 549689212 /nfs/dbraw/zinc/68/92/12/549689212.db2.gz JCIUMYXCPMYIDR-OAHLLOKOSA-N 1 2 367.384 2.397 40 0 FEABLO Cc1cc(C(=O)N2CCC[C@H]2c2ccc(C[NH+]3CCOCC3)cn2)no1 ZINC000257244243 549720645 /nfs/dbraw/zinc/72/06/45/549720645.db2.gz IKMFFYBIPHXHSZ-SFHVURJKSA-N 1 2 356.426 2.188 40 0 FEABLO C[NH+](C)Cc1cccc([C@@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)n1 ZINC000257242970 549720984 /nfs/dbraw/zinc/72/09/84/549720984.db2.gz IEYVESLIAYXUOH-SFHVURJKSA-N 1 2 350.426 2.392 40 0 FEABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCN(C(=O)c4ccccn4)C3)n2)n1C ZINC000257252760 549722182 /nfs/dbraw/zinc/72/21/82/549722182.db2.gz JWBOFYNTOCHWSZ-HNNXBMFYSA-N 1 2 362.437 2.285 40 0 FEABLO Cc1nc(Nc2cnccn2)cc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000257283412 549723839 /nfs/dbraw/zinc/72/38/39/549723839.db2.gz OYEZZTOKFLOIKA-CQSZACIVSA-N 1 2 350.430 2.421 40 0 FEABLO Cc1nc(Nc2cnccn2)cc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000257283412 549723844 /nfs/dbraw/zinc/72/38/44/549723844.db2.gz OYEZZTOKFLOIKA-CQSZACIVSA-N 1 2 350.430 2.421 40 0 FEABLO Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)ncn1 ZINC000257278840 549724487 /nfs/dbraw/zinc/72/44/87/549724487.db2.gz ODWCGINWGBPPMP-OAHLLOKOSA-N 1 2 366.425 2.036 40 0 FEABLO Cc1ccccc1OCC(=O)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306131063 553748831 /nfs/dbraw/zinc/74/88/31/553748831.db2.gz JVLXGRPELHMCPW-YQVWRLOYSA-N 1 2 367.449 2.354 40 0 FEABLO CCC(=O)N1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3ccc(OC)cc3)n12 ZINC000306134743 553749934 /nfs/dbraw/zinc/74/99/34/553749934.db2.gz NXAYBYMYKPCFNW-UHFFFAOYSA-N 1 2 369.469 2.127 40 0 FEABLO CCC(=O)N1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3ccc(OC)cc3)n12 ZINC000306134743 553749936 /nfs/dbraw/zinc/74/99/36/553749936.db2.gz NXAYBYMYKPCFNW-UHFFFAOYSA-N 1 2 369.469 2.127 40 0 FEABLO Cn1cc(C[N@@H+]2C[C@@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306137943 553750779 /nfs/dbraw/zinc/75/07/79/553750779.db2.gz RKNQIDSOFXLOGS-IEBWSBKVSA-N 1 2 369.446 2.435 40 0 FEABLO Cn1cc(C[N@H+]2C[C@@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306137943 553750784 /nfs/dbraw/zinc/75/07/84/553750784.db2.gz RKNQIDSOFXLOGS-IEBWSBKVSA-N 1 2 369.446 2.435 40 0 FEABLO OCCNc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329045933 553870666 /nfs/dbraw/zinc/87/06/66/553870666.db2.gz TXOPDUGJNUQUHO-UHFFFAOYSA-N 1 2 356.813 2.494 40 0 FEABLO CS(=O)(=O)CC[C@@H]([NH3+])c1nc([C@H](c2cccs2)n2cccc2)no1 ZINC000409439387 558690595 /nfs/dbraw/zinc/69/05/95/558690595.db2.gz GYGYKRRPXMMAFM-YPMHNXCESA-N 1 2 366.468 2.005 40 0 FEABLO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000329456620 570614329 /nfs/dbraw/zinc/61/43/29/570614329.db2.gz QIKSEKVTHOVQDR-KRWDZBQOSA-N 1 2 352.500 2.343 40 0 FEABLO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000329456620 570614330 /nfs/dbraw/zinc/61/43/30/570614330.db2.gz QIKSEKVTHOVQDR-KRWDZBQOSA-N 1 2 352.500 2.343 40 0 FEABLO O=C(c1ccnnc1)N1Cc2cccn2C[C@H](CCNc2cccc[nH+]2)C1 ZINC000585095424 571219896 /nfs/dbraw/zinc/21/98/96/571219896.db2.gz QMVOEJXMOIPUNU-INIZCTEOSA-N 1 2 362.437 2.448 40 0 FEABLO COCC[C@H]1CCOC12CC[NH+](Cc1ccc(S(C)(=O)=O)cc1)CC2 ZINC000585104747 571224182 /nfs/dbraw/zinc/22/41/82/571224182.db2.gz LXDDAFKUSXMNMU-KRWDZBQOSA-N 1 2 367.511 2.498 40 0 FEABLO Cc1c(F)c(N2CC[NH2+][C@@H](C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000000967787 539336025 /nfs/dbraw/zinc/33/60/25/539336025.db2.gz AIJTTZAVMXIJGM-JTQLQIEISA-N 1 2 359.401 2.280 40 0 world FEABLO CC(C)(C)C(=O)[C@@H]([C@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019365926 539656341 /nfs/dbraw/zinc/65/63/41/539656341.db2.gz QZUIQRACPQHJJM-RBUKOAKNSA-N 1 2 360.498 2.376 40 0 in-vitro FEABLO CCn1ncc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)c1C ZINC000019523920 539659579 /nfs/dbraw/zinc/65/95/79/539659579.db2.gz UCKIZMZRTDKXDP-QFBILLFUSA-N 1 2 368.485 2.100 40 0 FEABLO CCn1ncc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)c1C ZINC000019523920 539659584 /nfs/dbraw/zinc/65/95/84/539659584.db2.gz UCKIZMZRTDKXDP-QFBILLFUSA-N 1 2 368.485 2.100 40 0 FEABLO COC(=O)C1=C(C[N@@H+]2CCCC[C@H]2C)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000034087015 539976361 /nfs/dbraw/zinc/97/63/61/539976361.db2.gz DPPLEOROVGYKEO-ACJLOTCBSA-N 1 2 373.453 2.351 40 0 FEABLO COC(=O)C1=C(C[N@H+]2CCCC[C@H]2C)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000034087015 539976362 /nfs/dbraw/zinc/97/63/62/539976362.db2.gz DPPLEOROVGYKEO-ACJLOTCBSA-N 1 2 373.453 2.351 40 0 FEABLO NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c(-n3cccc3)c2)C1 ZINC000072389689 541803850 /nfs/dbraw/zinc/80/38/50/541803850.db2.gz NKZICCAQJVFJCP-MRXNPFEDSA-N 1 2 363.421 2.001 40 0 FEABLO CCn1cc(C[NH+]2CCN(C(=O)Cc3ccc4c(c3)C[C@H](C)O4)CC2)cn1 ZINC000019524962 204686817 /nfs/dbraw/zinc/68/68/17/204686817.db2.gz UYHGKRNVRVQKPH-INIZCTEOSA-N 1 2 368.481 2.113 40 0 FEABLO COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3[nH+]ccn3C)n2)c1 ZINC000072322114 205031386 /nfs/dbraw/zinc/03/13/86/205031386.db2.gz NWIUIFGZYMIEGX-KRWDZBQOSA-N 1 2 353.426 2.392 40 0 biogenic,in-vitro FEABLO Cn1cc[nH+]c1CN1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000077265607 205038061 /nfs/dbraw/zinc/03/80/61/205038061.db2.gz AQTAMRAAKGSHAM-CYBMUJFWSA-N 1 2 356.348 2.114 40 0 biogenic,in-vitro FEABLO [NH3+][C@@H](CCC[C@]([NH3+])(C(=O)[O-])C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000059832377 205283911 /nfs/dbraw/zinc/28/39/11/205283911.db2.gz KCERZKANANQKNA-OXJNMPFZSA-N 1 2 354.406 2.032 40 0 FEABLO O=C(C[NH+]1CCC(NC(=O)C2CCCCC2)CC1)Nc1nccs1 ZINC000004909749 206184786 /nfs/dbraw/zinc/18/47/86/206184786.db2.gz FDVBZPVMGITETH-UHFFFAOYSA-N 1 2 350.488 2.243 40 0 FEABLO COc1ccc(OCc2n[nH]c([C@H]([NH3+])c3ccc(OC)c(OC)c3)n2)cc1 ZINC000095533832 542982765 /nfs/dbraw/zinc/98/27/65/542982765.db2.gz JHWXTMXMMUQSEY-GOSISDBHSA-N 1 2 370.409 2.458 40 0 FEABLO Cc1nc(CN2CCOC[C@]3(C[N@H+](Cc4ccco4)CCO3)C2)cs1 ZINC000096049803 542989189 /nfs/dbraw/zinc/98/91/89/542989189.db2.gz YVWPNLVJLLFZGK-GOSISDBHSA-N 1 2 363.483 2.148 40 0 FEABLO Cc1nc(CN2CCOC[C@]3(C[N@@H+](Cc4ccco4)CCO3)C2)cs1 ZINC000096049803 542989192 /nfs/dbraw/zinc/98/91/92/542989192.db2.gz YVWPNLVJLLFZGK-GOSISDBHSA-N 1 2 363.483 2.148 40 0 FEABLO Cn1ccnc1C[N@@H+]1CCOC[C@]2(C[C@H](CNc3cccc(F)c3)CO2)C1 ZINC000096240421 542996788 /nfs/dbraw/zinc/99/67/88/542996788.db2.gz PFRRPCMROYPUSO-UZLBHIALSA-N 1 2 374.460 2.279 40 0 FEABLO Cn1ccnc1C[N@H+]1CCOC[C@]2(C[C@H](CNc3cccc(F)c3)CO2)C1 ZINC000096240421 542996790 /nfs/dbraw/zinc/99/67/90/542996790.db2.gz PFRRPCMROYPUSO-UZLBHIALSA-N 1 2 374.460 2.279 40 0 FEABLO Cn1cc[nH+]c1CN1CCOC[C@]2(C[C@H](CNc3cccc(F)c3)CO2)C1 ZINC000096240421 542996795 /nfs/dbraw/zinc/99/67/95/542996795.db2.gz PFRRPCMROYPUSO-UZLBHIALSA-N 1 2 374.460 2.279 40 0 FEABLO Cn1ccnc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1ncccc1F)C2 ZINC000096229072 542997197 /nfs/dbraw/zinc/99/71/97/542997197.db2.gz XIARHGJZMACQHA-LJQANCHMSA-N 1 2 359.449 2.073 40 0 FEABLO Cn1ccnc1C[N@H+]1CCC[C@]2(C1)COCCN(c1ncccc1F)C2 ZINC000096229072 542997199 /nfs/dbraw/zinc/99/71/99/542997199.db2.gz XIARHGJZMACQHA-LJQANCHMSA-N 1 2 359.449 2.073 40 0 FEABLO Cc1ccc(Cl)cc1N1C(=O)C[C@H]([NH+]2CCC3(CC2)OCCO3)C1=O ZINC000104278632 543127813 /nfs/dbraw/zinc/12/78/13/543127813.db2.gz ZUESLWDLCMWIST-HNNXBMFYSA-N 1 2 364.829 2.119 40 0 FEABLO O=C1CCCN1C[C@@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247856103 549386573 /nfs/dbraw/zinc/38/65/73/549386573.db2.gz JSEYVPRJFSNNPY-IBGZPJMESA-N 1 2 354.454 2.079 40 0 FEABLO O=C1CCCN1C[C@@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247856103 549386576 /nfs/dbraw/zinc/38/65/76/549386576.db2.gz JSEYVPRJFSNNPY-IBGZPJMESA-N 1 2 354.454 2.079 40 0 FEABLO CC(=O)Nc1cc(C(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)ccn1 ZINC000257229024 549719898 /nfs/dbraw/zinc/71/98/98/549719898.db2.gz FWIFFLPKEOFOIA-MRXNPFEDSA-N 1 2 353.426 2.478 40 0 FEABLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2OC(F)F)C[C@]12CCCO2 ZINC000257320581 549727834 /nfs/dbraw/zinc/72/78/34/549727834.db2.gz VXKPGQZFZHMPAE-MAUKXSAKSA-N 1 2 370.396 2.496 40 0 FEABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2OC(F)F)C[C@]12CCCO2 ZINC000257320581 549727837 /nfs/dbraw/zinc/72/78/37/549727837.db2.gz VXKPGQZFZHMPAE-MAUKXSAKSA-N 1 2 370.396 2.496 40 0 FEABLO CC(C)n1cc(C[N@H+]2Cc3ccnn3C[C@H](CNC(=O)CC3CC3)C2)cn1 ZINC000306134690 553749532 /nfs/dbraw/zinc/74/95/32/553749532.db2.gz NVIYUQSQIQGJLJ-QGZVFWFLSA-N 1 2 370.501 2.209 40 0 FEABLO CC(C)n1cc(C[N@@H+]2Cc3ccnn3C[C@H](CNC(=O)CC3CC3)C2)cn1 ZINC000306134690 553749535 /nfs/dbraw/zinc/74/95/35/553749535.db2.gz NVIYUQSQIQGJLJ-QGZVFWFLSA-N 1 2 370.501 2.209 40 0 FEABLO O=C(NCC[C@@H]1CCOC12C[NH+](Cc1ccco1)C2)C1CC(F)(F)C1 ZINC000306136823 553750363 /nfs/dbraw/zinc/75/03/63/553750363.db2.gz QEKMXNRTFFUIMQ-CQSZACIVSA-N 1 2 354.397 2.422 40 0 FEABLO COc1ncccc1CN1Cc2c[nH+]cn2[C@@H](COc2nccc(C)n2)C1 ZINC000306138042 553750577 /nfs/dbraw/zinc/75/05/77/553750577.db2.gz RNJVUMIXHUYPJQ-QGZVFWFLSA-N 1 2 366.425 2.021 40 0 FEABLO CCNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329010851 553864085 /nfs/dbraw/zinc/86/40/85/553864085.db2.gz MCOQBNZIICBASG-JTQLQIEISA-N 1 2 356.348 2.111 40 0 FEABLO OCCCNc1nc(NCc2ccccc2Cl)cc(-c2cccnc2)[nH+]1 ZINC000329046669 553870818 /nfs/dbraw/zinc/87/08/18/553870818.db2.gz UDADMOZDTARBHK-UHFFFAOYSA-N 1 2 369.856 2.442 40 0 FEABLO O=C(C[N@H+]1CCC[C@@](O)(COc2cccc(F)c2)C1)Nc1ccccn1 ZINC000585277405 570489213 /nfs/dbraw/zinc/48/92/13/570489213.db2.gz UEKPEBKDNPDYNR-IBGZPJMESA-N 1 2 359.401 2.065 40 0 FEABLO O=C(C[N@@H+]1CCC[C@@](O)(COc2cccc(F)c2)C1)Nc1ccccn1 ZINC000585277405 570489217 /nfs/dbraw/zinc/48/92/17/570489217.db2.gz UEKPEBKDNPDYNR-IBGZPJMESA-N 1 2 359.401 2.065 40 0 FEABLO CCOC[C@H]1CCn2c[nH+]cc2CN1C(=O)c1cccc2c1OCCO2 ZINC000585097783 571220541 /nfs/dbraw/zinc/22/05/41/571220541.db2.gz PRTGKONOXBRAER-CQSZACIVSA-N 1 2 357.410 2.106 40 0 FEABLO C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc(O)cc1)C2 ZINC000012239934 539551512 /nfs/dbraw/zinc/55/15/12/539551512.db2.gz DCLPIBDETKCNRD-CQSZACIVSA-N 1 2 354.454 2.413 40 0 FEABLO C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccc(O)cc1)C2 ZINC000012239934 539551515 /nfs/dbraw/zinc/55/15/15/539551515.db2.gz DCLPIBDETKCNRD-CQSZACIVSA-N 1 2 354.454 2.413 40 0 FEABLO O=C(Cn1cc[nH+]c1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 ZINC000019344332 539655884 /nfs/dbraw/zinc/65/58/84/539655884.db2.gz IYGLRGNEABOHFA-ZDUSSCGKSA-N 1 2 369.450 2.101 40 0 FEABLO CC(=O)N1CCc2nnc([C@@H]3CCC[N@@H+]3Cc3ccccc3F)n2CC1 ZINC000019706362 539665973 /nfs/dbraw/zinc/66/59/73/539665973.db2.gz HQFKYPBKJDSSHX-KRWDZBQOSA-N 1 2 357.433 2.159 40 0 FEABLO CC(=O)N1CCc2nnc([C@@H]3CCC[N@H+]3Cc3ccccc3F)n2CC1 ZINC000019706362 539665977 /nfs/dbraw/zinc/66/59/77/539665977.db2.gz HQFKYPBKJDSSHX-KRWDZBQOSA-N 1 2 357.433 2.159 40 0 FEABLO CCn1c(CNc2ccc(F)cc2)nnc1SCC[NH+]1CCOCC1 ZINC000026098763 539776947 /nfs/dbraw/zinc/77/69/47/539776947.db2.gz PQNUIUZFOLKXCZ-UHFFFAOYSA-N 1 2 365.478 2.474 40 0 FEABLO CCOc1ccc(NC(=O)[C@H]2CC(=O)NC(N3C[C@@H](C)C[C@H](C)C3)=[NH+]2)cc1 ZINC000002345051 204035089 /nfs/dbraw/zinc/03/50/89/204035089.db2.gz DKBFSGDYULSANX-GRDNDAEWSA-N 1 2 372.469 2.246 40 0 FEABLO CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000044900368 205112495 /nfs/dbraw/zinc/11/24/95/205112495.db2.gz FXUXEEPSVDSEEH-UHFFFAOYSA-N 1 2 370.434 2.174 40 0 FEABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccccn3)no2)cc1 ZINC000015674189 206316395 /nfs/dbraw/zinc/31/63/95/206316395.db2.gz ATEQIKOVRVIVSK-PBHICJAKSA-N 1 2 352.394 2.448 40 0 biogenic,in-vitro FEABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccccn3)no2)cc1 ZINC000015674189 206316399 /nfs/dbraw/zinc/31/63/99/206316399.db2.gz ATEQIKOVRVIVSK-PBHICJAKSA-N 1 2 352.394 2.448 40 0 biogenic,in-vitro FEABLO CCC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000057669947 206387346 /nfs/dbraw/zinc/38/73/46/206387346.db2.gz QAAYTDSCQCTLLG-INIZCTEOSA-N 1 2 374.464 2.244 40 0 FEABLO CC(C)CC(=O)N1CCc2[nH+]c(N3CCOCC3)nc(NC(C)C)c2C1 ZINC000096254305 132224429 /nfs/dbraw/zinc/22/44/29/132224429.db2.gz MLQFCWVWVFBIDA-UHFFFAOYSA-N 1 2 361.490 2.064 40 0 FEABLO O=C(NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1)c1cc2c(s1)CCC2 ZINC000257288326 132296376 /nfs/dbraw/zinc/29/63/76/132296376.db2.gz PTTLHOXSHVRYFB-IBGZPJMESA-N 1 2 357.479 2.393 40 0 FEABLO CC(C)Nc1[nH+]c2c(cc1C(=O)N(C)C)CCN(c1ncc(F)cn1)CC2 ZINC000096086805 542991053 /nfs/dbraw/zinc/99/10/53/542991053.db2.gz IOZGICAQFILVDZ-UHFFFAOYSA-N 1 2 372.448 2.138 40 0 FEABLO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000102684876 543077379 /nfs/dbraw/zinc/07/73/79/543077379.db2.gz PETTUSLHKJQRDZ-JHJVBQTASA-N 1 2 359.426 2.391 40 0 FEABLO CCCC[C@@H](c1nnnn1CCOC)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670056 534941991 /nfs/dbraw/zinc/94/19/91/534941991.db2.gz DQMSWOJQZHAWFP-SFHVURJKSA-N 1 2 358.490 2.373 40 0 FEABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1CCC[NH+]1CCOCC1 ZINC000223169116 548717554 /nfs/dbraw/zinc/71/75/54/548717554.db2.gz NYQSGGRTISJJTH-ZWKOTPCHSA-N 1 2 371.510 2.105 40 0 FEABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)n(C)n1 ZINC000248055768 549403380 /nfs/dbraw/zinc/40/33/80/549403380.db2.gz SMFKOQNLYCFGTE-QGZVFWFLSA-N 1 2 351.516 2.232 40 0 FEABLO Cn1cc(C[NH+]2CC3(C2)C[C@@H](CCOCC2CCOCC2)CCO3)cn1 ZINC000248138124 549410710 /nfs/dbraw/zinc/41/07/10/549410710.db2.gz PMXGGANAQQYISB-KRWDZBQOSA-N 1 2 363.502 2.234 40 0 FEABLO CC(=O)N1CC[N@H+](Cc2ncc[nH]2)C[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257233676 549719611 /nfs/dbraw/zinc/71/96/11/549719611.db2.gz GQEYPNVBTKWIEL-GOSISDBHSA-N 1 2 363.465 2.481 40 0 FEABLO CC(=O)N1CC[N@@H+](Cc2ncc[nH]2)C[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257233676 549719614 /nfs/dbraw/zinc/71/96/14/549719614.db2.gz GQEYPNVBTKWIEL-GOSISDBHSA-N 1 2 363.465 2.481 40 0 FEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)[nH+]1 ZINC000257262347 549721883 /nfs/dbraw/zinc/72/18/83/549721883.db2.gz LLBLSWYRCUARNS-HNNXBMFYSA-N 1 2 352.442 2.408 40 0 FEABLO Cc1noc(C)c1-c1nccc([C@H]2CCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC000257283584 549724350 /nfs/dbraw/zinc/72/43/50/549724350.db2.gz OYXHIFGJSOASDL-OAHLLOKOSA-N 1 2 352.398 2.309 40 0 FEABLO CN(C)c1cnc(C[C@H]2CCCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000257343826 549728746 /nfs/dbraw/zinc/72/87/46/549728746.db2.gz ZUPBGZSSZUKCME-INIZCTEOSA-N 1 2 356.474 2.001 40 0 FEABLO CC(C)N1[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2Oc2ncccc2S1(=O)=O ZINC000306134917 553749434 /nfs/dbraw/zinc/74/94/34/553749434.db2.gz OBPMUUIFUQFPIK-IAGOWNOFSA-N 1 2 373.478 2.126 40 0 FEABLO CC(C)N1[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2Oc2ncccc2S1(=O)=O ZINC000306134917 553749436 /nfs/dbraw/zinc/74/94/36/553749436.db2.gz OBPMUUIFUQFPIK-IAGOWNOFSA-N 1 2 373.478 2.126 40 0 FEABLO Cc1ccc(S(=O)(=O)NC[C@H]2CCc3[nH+]cc(-c4cnn(C)c4)n32)cc1 ZINC000306142974 553751430 /nfs/dbraw/zinc/75/14/30/553751430.db2.gz XPNCEZVLKYEENX-OAHLLOKOSA-N 1 2 371.466 2.058 40 0 FEABLO C[C@@H](CO)Nc1nc(Nc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000329006401 553863441 /nfs/dbraw/zinc/86/34/41/553863441.db2.gz LDZDPECHWFQFHT-JTQLQIEISA-N 1 2 363.259 2.497 40 0 FEABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2COCc2cccnc2)no1 ZINC000585094893 571219857 /nfs/dbraw/zinc/21/98/57/571219857.db2.gz SPGIKVFTWMYNQJ-KRWDZBQOSA-N 1 2 353.426 2.255 40 0 FEABLO COc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)cc1 ZINC000585112641 571226402 /nfs/dbraw/zinc/22/64/02/571226402.db2.gz URFQXVSOIRGAGL-GOSISDBHSA-N 1 2 354.454 2.461 40 0 FEABLO COc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)cc1 ZINC000585112641 571226404 /nfs/dbraw/zinc/22/64/04/571226404.db2.gz URFQXVSOIRGAGL-GOSISDBHSA-N 1 2 354.454 2.461 40 0 FEABLO CCC(C)(C)n1nnnc1[C@H](c1ccc(C)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000004862019 539393709 /nfs/dbraw/zinc/39/37/09/539393709.db2.gz QKUVIOKDSIQOGR-KRWDZBQOSA-N 1 2 370.501 2.413 40 0 FEABLO COC(=O)c1cccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000014162076 539597325 /nfs/dbraw/zinc/59/73/25/539597325.db2.gz PZPVQAWGGQYTRA-UHFFFAOYSA-N 1 2 353.422 2.234 40 0 FEABLO COc1ncc(C2(O)CC[NH+](Cc3cc(F)cc(F)c3)CC2)c(OC)n1 ZINC000019594847 539663410 /nfs/dbraw/zinc/66/34/10/539663410.db2.gz CWDUTEVBXRFSJE-UHFFFAOYSA-N 1 2 365.380 2.256 40 0 FEABLO COc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2nnc3n2CC[NH2+]C3)cc1 ZINC000019705517 539666106 /nfs/dbraw/zinc/66/61/06/539666106.db2.gz GPRZMJMDDGQWEL-INIZCTEOSA-N 1 2 369.469 2.031 40 0 FEABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)CC1 ZINC000020634591 539676773 /nfs/dbraw/zinc/67/67/73/539676773.db2.gz NQLWYFZDXOVUAU-QGZVFWFLSA-N 1 2 358.438 2.210 40 0 FEABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccs2)N1CC[NH+]1CCOCC1 ZINC000223124948 209749339 /nfs/dbraw/zinc/74/93/39/209749339.db2.gz BRYSDDHTHPJCEF-DLBZAZTESA-N 1 2 374.535 2.448 40 0 FEABLO CCn1nc(C)c(C[N@@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)c1C ZINC000072336834 541800200 /nfs/dbraw/zinc/80/02/00/541800200.db2.gz SRIURUOZESFNAR-UHFFFAOYSA-N 1 2 364.453 2.223 40 0 FEABLO CCn1nc(C)c(C[N@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)c1C ZINC000072336834 541800204 /nfs/dbraw/zinc/80/02/04/541800204.db2.gz SRIURUOZESFNAR-UHFFFAOYSA-N 1 2 364.453 2.223 40 0 FEABLO Cc1cc(-c2cnc(NCC[NH+]3CCOCC3)nc2-c2ccncc2)on1 ZINC000072342335 541800627 /nfs/dbraw/zinc/80/06/27/541800627.db2.gz VJPHCSQIPUFKMS-UHFFFAOYSA-N 1 2 366.425 2.246 40 0 FEABLO CN(C)C(=O)c1cc2c([nH+]c1NCC1CC1)CCN(c1ncccn1)CC2 ZINC000096260573 209146416 /nfs/dbraw/zinc/14/64/16/209146416.db2.gz WSBONIKKKUROFW-UHFFFAOYSA-N 1 2 366.469 2.001 40 0 FEABLO Cc1cc(CN2Cc3c[nH+]cn3C[C@H](COc3ncccc3F)C2)no1 ZINC000096209357 209135908 /nfs/dbraw/zinc/13/59/08/209135908.db2.gz JHZUILGPCIAVIE-CQSZACIVSA-N 1 2 357.389 2.425 40 0 FEABLO Cn1cc(CN2CCc3[nH+]cn(C)c3[C@H]2COCc2ccccc2)cn1 ZINC000096187729 209132397 /nfs/dbraw/zinc/13/23/97/209132397.db2.gz QVDAKGSVAIYHML-LJQANCHMSA-N 1 2 351.454 2.470 40 0 FEABLO Cn1cc(C[N@@H+]2CCc3ncn(C)c3[C@H]2COCc2ccccc2)cn1 ZINC000096187729 209132400 /nfs/dbraw/zinc/13/24/00/209132400.db2.gz QVDAKGSVAIYHML-LJQANCHMSA-N 1 2 351.454 2.470 40 0 FEABLO Cn1cc(C[N@H+]2CCc3ncn(C)c3[C@H]2COCc2ccccc2)cn1 ZINC000096187729 209132404 /nfs/dbraw/zinc/13/24/04/209132404.db2.gz QVDAKGSVAIYHML-LJQANCHMSA-N 1 2 351.454 2.470 40 0 FEABLO C[C@H]1c2ncc(COCc3ccccn3)n2CC[N@H+]1Cc1cnn(C)c1 ZINC000096109895 209114044 /nfs/dbraw/zinc/11/40/44/209114044.db2.gz CDBSXOSJJBRSBP-HNNXBMFYSA-N 1 2 352.442 2.305 40 0 FEABLO C[C@H]1c2ncc(COCc3ccccn3)n2CC[N@@H+]1Cc1cnn(C)c1 ZINC000096109895 209114049 /nfs/dbraw/zinc/11/40/49/209114049.db2.gz CDBSXOSJJBRSBP-HNNXBMFYSA-N 1 2 352.442 2.305 40 0 FEABLO C[C@@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)C[NH+](C)C)C[C@@H]2[C@H](O)/C=C/C(=O)O1 ZINC000006488183 207142540 /nfs/dbraw/zinc/14/25/40/207142540.db2.gz ZZWKZQDOSJAGGF-MAQMSOENSA-N 1 2 365.470 2.075 40 0 in-vitro FEABLO COc1ccc(C[N@@H+](Cc2cnc(N)nc2)C[C@H]2CCCO2)c(OC)c1 ZINC000012187247 207346790 /nfs/dbraw/zinc/34/67/90/207346790.db2.gz ZYPALUIBKXYBKQ-QGZVFWFLSA-N 1 2 358.442 2.257 40 0 FEABLO COc1ccc(C[N@H+](Cc2cnc(N)nc2)C[C@H]2CCCO2)c(OC)c1 ZINC000012187247 207346796 /nfs/dbraw/zinc/34/67/96/207346796.db2.gz ZYPALUIBKXYBKQ-QGZVFWFLSA-N 1 2 358.442 2.257 40 0 FEABLO Cc1nc(COC[C@@H]2CN(c3ncccn3)Cc3[nH+]cn(C)c32)cs1 ZINC000096045034 132217337 /nfs/dbraw/zinc/21/73/37/132217337.db2.gz FRXIVGLVEMPSAU-ZDUSSCGKSA-N 1 2 356.455 2.296 40 0 FEABLO Cc1c(F)c(N2CC[NH2+][C@H](C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000000587541 525795221 /nfs/dbraw/zinc/79/52/21/525795221.db2.gz AIJTTZAVMXIJGM-SNVBAGLBSA-N 1 2 359.401 2.280 40 0 world FEABLO CN(CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000219245739 548692484 /nfs/dbraw/zinc/69/24/84/548692484.db2.gz LGZBWWOFDISGKE-UHFFFAOYSA-N 1 2 353.466 2.385 40 0 FEABLO O=C(C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21)N1CCCC1 ZINC000247882607 549389459 /nfs/dbraw/zinc/38/94/59/549389459.db2.gz WDXNOCSZTHTQPM-QGZVFWFLSA-N 1 2 368.437 2.181 40 0 FEABLO O=C(C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21)N1CCCC1 ZINC000247882607 549389462 /nfs/dbraw/zinc/38/94/62/549389462.db2.gz WDXNOCSZTHTQPM-QGZVFWFLSA-N 1 2 368.437 2.181 40 0 FEABLO COc1ccc(C[NH+]2CC3(C2)C[C@@H](OCC(=O)N2CCCC2)CCO3)cc1 ZINC000247913296 549390860 /nfs/dbraw/zinc/39/08/60/549390860.db2.gz VFDVESZCUQDAKI-IBGZPJMESA-N 1 2 374.481 2.068 40 0 FEABLO CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCOc2cccnc2)nc[nH+]1 ZINC000248069380 549404991 /nfs/dbraw/zinc/40/49/91/549404991.db2.gz AREASULUYYLIDY-HNNXBMFYSA-N 1 2 355.442 2.002 40 0 FEABLO CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCOc2cccnc2)[nH+]cn1 ZINC000248069380 549404993 /nfs/dbraw/zinc/40/49/93/549404993.db2.gz AREASULUYYLIDY-HNNXBMFYSA-N 1 2 355.442 2.002 40 0 FEABLO Cc1cccc(COC[C@@H]2C[C@@H]3OCC[N@@H+](Cc4cnn(C)c4)[C@H]3C2)n1 ZINC000248124929 549408495 /nfs/dbraw/zinc/40/84/95/549408495.db2.gz LJYIVGUFZUYVMG-VDGAXYAQSA-N 1 2 356.470 2.320 40 0 FEABLO Cc1cccc(COC[C@@H]2C[C@@H]3OCC[N@H+](Cc4cnn(C)c4)[C@H]3C2)n1 ZINC000248124929 549408498 /nfs/dbraw/zinc/40/84/98/549408498.db2.gz LJYIVGUFZUYVMG-VDGAXYAQSA-N 1 2 356.470 2.320 40 0 FEABLO Cc1noc(C)c1C[NH+]1CC2(C1)OCC[C@H]2CCNC(=O)c1ccncc1 ZINC000252019494 549661732 /nfs/dbraw/zinc/66/17/32/549661732.db2.gz XLHBGHROXXEMBV-QGZVFWFLSA-N 1 2 370.453 2.097 40 0 FEABLO Cc1ccsc1C[N@H+]1Cc2cncn2[C@H](COCC(=O)N2CCCC2)C1 ZINC000253599854 549697500 /nfs/dbraw/zinc/69/75/00/549697500.db2.gz VKXPTPXJVYPAIS-KRWDZBQOSA-N 1 2 374.510 2.449 40 0 FEABLO Cc1ccsc1C[N@@H+]1Cc2cncn2[C@H](COCC(=O)N2CCCC2)C1 ZINC000253599854 549697503 /nfs/dbraw/zinc/69/75/03/549697503.db2.gz VKXPTPXJVYPAIS-KRWDZBQOSA-N 1 2 374.510 2.449 40 0 FEABLO Cc1ccsc1CN1Cc2c[nH+]cn2[C@H](COCC(=O)N2CCCC2)C1 ZINC000253599854 549697507 /nfs/dbraw/zinc/69/75/07/549697507.db2.gz VKXPTPXJVYPAIS-KRWDZBQOSA-N 1 2 374.510 2.449 40 0 FEABLO CCCn1ccnc1C[NH+]1CCC(c2nccnc2CNC(C)=O)CC1 ZINC000257266395 549722763 /nfs/dbraw/zinc/72/27/63/549722763.db2.gz MCVJJYUZEDXHQW-UHFFFAOYSA-N 1 2 356.474 2.099 40 0 FEABLO CCc1noc(CCC(=O)N2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)n1 ZINC000257312913 549726758 /nfs/dbraw/zinc/72/67/58/549726758.db2.gz UQDZNKQFVSEPIM-OAHLLOKOSA-N 1 2 357.458 2.432 40 0 FEABLO CN(C)C(=O)NC[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2c[nH+]cn21 ZINC000306134334 553749887 /nfs/dbraw/zinc/74/98/87/553749887.db2.gz NJJCZBYPJIAKIN-GOSISDBHSA-N 1 2 364.453 2.259 40 0 FEABLO COc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NCCCO)n1 ZINC000328985662 553859015 /nfs/dbraw/zinc/85/90/15/553859015.db2.gz HTULIRRSIRGWOL-UHFFFAOYSA-N 1 2 364.449 2.402 40 0 FEABLO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000329456622 570614416 /nfs/dbraw/zinc/61/44/16/570614416.db2.gz QIKSEKVTHOVQDR-QGZVFWFLSA-N 1 2 352.500 2.343 40 0 FEABLO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000329456622 570614420 /nfs/dbraw/zinc/61/44/20/570614420.db2.gz QIKSEKVTHOVQDR-QGZVFWFLSA-N 1 2 352.500 2.343 40 0 FEABLO Cc1ccc(CN2Cc3[nH+]cn(C)c3C[C@H]2COc2nccc(C)n2)o1 ZINC000585094731 571219872 /nfs/dbraw/zinc/21/98/72/571219872.db2.gz JPAZUDTXMHAGEN-HNNXBMFYSA-N 1 2 353.426 2.426 40 0 FEABLO CCCCC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000585095951 571220948 /nfs/dbraw/zinc/22/09/48/571220948.db2.gz GIDQYIYWXQRHEY-INIZCTEOSA-N 1 2 360.483 2.377 40 0 FEABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCNS(=O)(=O)C3CC3)C2)cc1 ZINC000585112020 571225793 /nfs/dbraw/zinc/22/57/93/571225793.db2.gz HDEKVMFNUCAIHM-SFHVURJKSA-N 1 2 374.510 2.220 40 0 FEABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCNS(=O)(=O)C3CC3)C2)cc1 ZINC000585112020 571225794 /nfs/dbraw/zinc/22/57/94/571225794.db2.gz HDEKVMFNUCAIHM-SFHVURJKSA-N 1 2 374.510 2.220 40 0 FEABLO CCS(=O)(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C)cc2)Cc2ccnn21 ZINC000585112673 571226249 /nfs/dbraw/zinc/22/62/49/571226249.db2.gz VDYVUKFSKXYYTK-GOSISDBHSA-N 1 2 362.499 2.078 40 0 FEABLO CCS(=O)(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)Cc2ccnn21 ZINC000585112673 571226250 /nfs/dbraw/zinc/22/62/50/571226250.db2.gz VDYVUKFSKXYYTK-GOSISDBHSA-N 1 2 362.499 2.078 40 0 FEABLO Cc1cccc(C[N@H+]2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)n1 ZINC000019236313 539653297 /nfs/dbraw/zinc/65/32/97/539653297.db2.gz GWQONCQDUZHQCI-CQSZACIVSA-N 1 2 353.470 2.268 40 0 FEABLO Cc1cccc(C[N@@H+]2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)n1 ZINC000019236313 539653304 /nfs/dbraw/zinc/65/33/04/539653304.db2.gz GWQONCQDUZHQCI-CQSZACIVSA-N 1 2 353.470 2.268 40 0 FEABLO Cn1nc(-c2cccnc2)cc1C[NH+]1CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000019288999 539655222 /nfs/dbraw/zinc/65/52/22/539655222.db2.gz DIJBJZZVJNDCTL-KRWDZBQOSA-N 1 2 365.481 2.483 40 0 FEABLO Cc1cnc(-c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccc(F)c2F)CC3)cn1 ZINC000019239080 539653587 /nfs/dbraw/zinc/65/35/87/539653587.db2.gz KLADLUJFONPQOA-UHFFFAOYSA-N 1 2 369.375 2.372 40 0 FEABLO Cc1cnc(-c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccc(F)c2F)CC3)cn1 ZINC000019239080 539653592 /nfs/dbraw/zinc/65/35/92/539653592.db2.gz KLADLUJFONPQOA-UHFFFAOYSA-N 1 2 369.375 2.372 40 0 FEABLO CSc1ncc(C(=O)N2C[C@H](C[NH+]3CCOCC3)c3ccccc32)cn1 ZINC000019574086 539662297 /nfs/dbraw/zinc/66/22/97/539662297.db2.gz USTYXKBBRCPLCK-HNNXBMFYSA-N 1 2 370.478 2.275 40 0 FEABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(O)cc2)C3)C[C@@H](C)O1 ZINC000019497591 539658603 /nfs/dbraw/zinc/65/86/03/539658603.db2.gz IUHFVSSZAQESPK-ZIAGYGMSSA-N 1 2 370.453 2.060 40 0 FEABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(O)cc2)C3)C[C@@H](C)O1 ZINC000019497591 539658606 /nfs/dbraw/zinc/65/86/06/539658606.db2.gz IUHFVSSZAQESPK-ZIAGYGMSSA-N 1 2 370.453 2.060 40 0 FEABLO COc1ccccc1NC(=O)NC1(C(=O)N2CC[NH+](C)CC2)CCCCC1 ZINC000019589698 539663465 /nfs/dbraw/zinc/66/34/65/539663465.db2.gz RYAPNNBMMAOVRS-UHFFFAOYSA-N 1 2 374.485 2.294 40 0 FEABLO CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000020458759 539674967 /nfs/dbraw/zinc/67/49/67/539674967.db2.gz PIEIOWBZNILJAC-UHFFFAOYSA-N 1 2 370.434 2.309 40 0 FEABLO Cc1nc2cc([C@H]3CCCN(C(=O)CCn4cc[nH+]c4)C3)[nH]n2c(=O)c1C ZINC000100137735 209208905 /nfs/dbraw/zinc/20/89/05/209208905.db2.gz KETRCTKPIXLCIQ-HNNXBMFYSA-N 1 2 368.441 2.045 40 0 FEABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(F)cc2)C3)C[C@H](C)O1 ZINC000072347178 541801377 /nfs/dbraw/zinc/80/13/77/541801377.db2.gz LOTAVFGYBMYJGD-KBPBESRZSA-N 1 2 372.444 2.493 40 0 FEABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(F)cc2)C3)C[C@H](C)O1 ZINC000072347178 541801380 /nfs/dbraw/zinc/80/13/80/541801380.db2.gz LOTAVFGYBMYJGD-KBPBESRZSA-N 1 2 372.444 2.493 40 0 FEABLO c1coc(CNc2ccnc([C@@H]3COCC[N@@H+]3CC3CCOCC3)n2)c1 ZINC000096220018 209137592 /nfs/dbraw/zinc/13/75/92/209137592.db2.gz KVHTZNOZYPSMQC-KRWDZBQOSA-N 1 2 358.442 2.482 40 0 FEABLO c1coc(CNc2ccnc([C@@H]3COCC[N@H+]3CC3CCOCC3)n2)c1 ZINC000096220018 209137593 /nfs/dbraw/zinc/13/75/93/209137593.db2.gz KVHTZNOZYPSMQC-KRWDZBQOSA-N 1 2 358.442 2.482 40 0 FEABLO O=S(=O)(c1ccccc1)N1CCC2(C[NH+](Cc3ccc(O)cc3)C2)C1 ZINC000096202414 209132653 /nfs/dbraw/zinc/13/26/53/209132653.db2.gz TXRLVVSWLGJHGY-UHFFFAOYSA-N 1 2 358.463 2.289 40 0 FEABLO CC(=O)N1CCc2[nH+]cn(C)c2[C@H]1C(=O)Nc1ccc(OC(C)C)cc1 ZINC000096147192 209123165 /nfs/dbraw/zinc/12/31/65/209123165.db2.gz HUTDPTZBCAOMSM-SFHVURJKSA-N 1 2 356.426 2.292 40 0 FEABLO Cc1nc(-c2noc3ccc(C(=O)NCC[NH+]4CCOCC4)cc32)cs1 ZINC000096154418 209126713 /nfs/dbraw/zinc/12/67/13/209126713.db2.gz AUJXXADTOUHBJW-UHFFFAOYSA-N 1 2 372.450 2.322 40 0 FEABLO C[NH+]1CCN(C(=O)c2cc3c(s2)CCN3C(=O)c2ccccc2)CC1 ZINC000096146792 209121488 /nfs/dbraw/zinc/12/14/88/209121488.db2.gz QFRYFVYYFRASCG-UHFFFAOYSA-N 1 2 355.463 2.339 40 0 FEABLO Cc1nc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N4CCCCO4)CC[C@H]32)cs1 ZINC000096065379 209106281 /nfs/dbraw/zinc/10/62/81/209106281.db2.gz MXZJYWIJXNPRTR-OAGGEKHMSA-N 1 2 351.472 2.127 40 0 FEABLO Cc1nc(C[N@H+]2CC[C@H]3O[C@H](C(=O)N4CCCCO4)CC[C@H]32)cs1 ZINC000096065379 209106285 /nfs/dbraw/zinc/10/62/85/209106285.db2.gz MXZJYWIJXNPRTR-OAGGEKHMSA-N 1 2 351.472 2.127 40 0 FEABLO COc1ccc(-c2cc(C)nc(SCC(=O)N3CC[NH+](C)CC3)n2)cc1 ZINC000035183081 208118745 /nfs/dbraw/zinc/11/87/45/208118745.db2.gz DXJCJJYMRNIAPO-UHFFFAOYSA-N 1 2 372.494 2.327 40 0 FEABLO O=C(NCC[C@@H]1CCOC12C[NH+](Cc1ccccc1F)C2)c1ccno1 ZINC000247516658 549348583 /nfs/dbraw/zinc/34/85/83/549348583.db2.gz VXOQRBRKHKBBIY-OAHLLOKOSA-N 1 2 359.401 2.225 40 0 FEABLO Cc1ncsc1C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccnc1)CO2 ZINC000248012495 549399889 /nfs/dbraw/zinc/39/98/89/549399889.db2.gz GKPRAIQGEOIOMR-OAHLLOKOSA-N 1 2 372.494 2.258 40 0 FEABLO C[C@@H]1c2nc(C(=O)NCc3ccco3)cn2CC[N@H+]1CC1CCOCC1 ZINC000253590316 549696736 /nfs/dbraw/zinc/69/67/36/549696736.db2.gz AFQRKOHGZPJDLF-CQSZACIVSA-N 1 2 358.442 2.209 40 0 FEABLO C[C@@H]1c2nc(C(=O)NCc3ccco3)cn2CC[N@@H+]1CC1CCOCC1 ZINC000253590316 549696741 /nfs/dbraw/zinc/69/67/41/549696741.db2.gz AFQRKOHGZPJDLF-CQSZACIVSA-N 1 2 358.442 2.209 40 0 FEABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](c2ccnc(=O)[nH]2)C1 ZINC000257211287 549717618 /nfs/dbraw/zinc/71/76/18/549717618.db2.gz BYHJMMKXEKXXQF-AWEZNQCLSA-N 1 2 351.410 2.247 40 0 FEABLO CN(C)c1cccc([C@H]2C[N@H+](Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257206561 549717716 /nfs/dbraw/zinc/71/77/16/549717716.db2.gz BDZZTTQZBWBLKU-LJQANCHMSA-N 1 2 357.454 2.092 40 0 FEABLO CN(C)c1cccc([C@H]2C[N@@H+](Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257206561 549717720 /nfs/dbraw/zinc/71/77/20/549717720.db2.gz BDZZTTQZBWBLKU-LJQANCHMSA-N 1 2 357.454 2.092 40 0 FEABLO CNc1cc([C@@H]2CCCN2C(=O)c2cc(-c3cnn(C)c3)on2)cc[nH+]1 ZINC000257232863 549720075 /nfs/dbraw/zinc/72/00/75/549720075.db2.gz GMSVJSXEVKCXDE-HNNXBMFYSA-N 1 2 352.398 2.489 40 0 FEABLO Cc1cc(N(C)C2CC3(C2)CCN(C(=O)c2cnc(C)nc2)C3)nc[nH+]1 ZINC000257247958 549720585 /nfs/dbraw/zinc/72/05/85/549720585.db2.gz JBJCSRIZCVJBDS-UHFFFAOYSA-N 1 2 352.442 2.015 40 0 FEABLO Cc1noc(C)c1C[NH+]1CC2(C1)OCC[C@@H]2CCNC(=O)N1CCCC1 ZINC000306140553 553750532 /nfs/dbraw/zinc/75/05/32/553750532.db2.gz UXEHFOPWZJWZAO-INIZCTEOSA-N 1 2 362.474 2.078 40 0 FEABLO Cc1cnc(C(=O)N[C@H]2CCCC[C@]23C[N@H+](Cc2ccco2)CCO3)cn1 ZINC000306141464 553751400 /nfs/dbraw/zinc/75/14/00/553751400.db2.gz VWXMRALJQUVWAV-ICSRJNTNSA-N 1 2 370.453 2.322 40 0 FEABLO Cc1cnc(C(=O)N[C@H]2CCCC[C@]23C[N@@H+](Cc2ccco2)CCO3)cn1 ZINC000306141464 553751402 /nfs/dbraw/zinc/75/14/02/553751402.db2.gz VWXMRALJQUVWAV-ICSRJNTNSA-N 1 2 370.453 2.322 40 0 FEABLO CCn1cc(C[NH+]2CC3(C2)C[C@H](CCOc2nccc(C)n2)CCO3)cn1 ZINC000306142495 553751479 /nfs/dbraw/zinc/75/14/79/553751479.db2.gz XASWVVAXFBPXQQ-QGZVFWFLSA-N 1 2 371.485 2.452 40 0 FEABLO COc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000328986958 553859316 /nfs/dbraw/zinc/85/93/16/553859316.db2.gz HZKUZMJGFQOESC-HNNXBMFYSA-N 1 2 364.449 2.401 40 0 FEABLO C[C@@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(-c2cccnc2)[nH+]1 ZINC000329000652 553861949 /nfs/dbraw/zinc/86/19/49/553861949.db2.gz KAOVMYYNMCLFTI-ZDUSSCGKSA-N 1 2 369.856 2.441 40 0 FEABLO CC(C)[C@@H](CO)Nc1nc(NCc2cccnc2)cc(-c2cccnc2)[nH+]1 ZINC000329032712 553868570 /nfs/dbraw/zinc/86/85/70/553868570.db2.gz QPDJTWQVMFOQSR-GOSISDBHSA-N 1 2 364.453 2.975 40 0 FEABLO Cc1ccc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COc2cncc(C)n2)o1 ZINC000585095002 571219652 /nfs/dbraw/zinc/21/96/52/571219652.db2.gz YWNAVWWZATVJDY-OAHLLOKOSA-N 1 2 353.426 2.426 40 0 FEABLO CN(C)C(=O)COCC[C@H]1Cn2cccc2C[N@H+](Cc2nccs2)C1 ZINC000585095096 571219810 /nfs/dbraw/zinc/21/98/10/571219810.db2.gz FMIWJCIWKGOUES-OAHLLOKOSA-N 1 2 362.499 2.072 40 0 FEABLO CN(C)C(=O)COCC[C@H]1Cn2cccc2C[N@@H+](Cc2nccs2)C1 ZINC000585095096 571219813 /nfs/dbraw/zinc/21/98/13/571219813.db2.gz FMIWJCIWKGOUES-OAHLLOKOSA-N 1 2 362.499 2.072 40 0 FEABLO CCS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3ccccc3Cl)C2)OC1 ZINC000585104769 571224133 /nfs/dbraw/zinc/22/41/33/571224133.db2.gz MEBVRQXFYWIGKP-CQSZACIVSA-N 1 2 372.918 2.260 40 0 FEABLO CCS(=O)(=O)NCC[C@H]1C[N@H+](Cc2ccccc2C)Cc2ccnn21 ZINC000585112928 571226384 /nfs/dbraw/zinc/22/63/84/571226384.db2.gz YUPCCEINOWSZDY-SFHVURJKSA-N 1 2 362.499 2.078 40 0 FEABLO CCS(=O)(=O)NCC[C@H]1C[N@@H+](Cc2ccccc2C)Cc2ccnn21 ZINC000585112928 571226386 /nfs/dbraw/zinc/22/63/86/571226386.db2.gz YUPCCEINOWSZDY-SFHVURJKSA-N 1 2 362.499 2.078 40 0 FEABLO CCCn1c2ccccc2[nH+]c1N1CCN(C(=O)N2CCOCC2)CC1 ZINC000004858127 539394036 /nfs/dbraw/zinc/39/40/36/539394036.db2.gz OZKNZQRHLSFLSN-UHFFFAOYSA-N 1 2 357.458 2.021 40 0 FEABLO Cc1cc(N2CCOCC2)nc(SCc2nc3ccccc3[nH]c2=O)[nH+]1 ZINC000006412828 539427513 /nfs/dbraw/zinc/42/75/13/539427513.db2.gz NCZDCIWZHIKDSJ-UHFFFAOYSA-N 1 2 369.450 2.150 40 0 FEABLO C[C@H](C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1)[NH+]1CCOCC1 ZINC000019078211 539651902 /nfs/dbraw/zinc/65/19/02/539651902.db2.gz HMOWVXJCARTLMR-HZPDHXFCSA-N 1 2 350.434 2.164 40 0 FEABLO COc1ncc(C[N@H+](CCCN2CCOCC2)Cc2ccc(C)o2)cn1 ZINC000019216457 539652529 /nfs/dbraw/zinc/65/25/29/539652529.db2.gz ODZIFNAXINIWKI-UHFFFAOYSA-N 1 2 360.458 2.111 40 0 FEABLO COc1ncc(C[N@@H+](CCCN2CCOCC2)Cc2ccc(C)o2)cn1 ZINC000019216457 539652534 /nfs/dbraw/zinc/65/25/34/539652534.db2.gz ODZIFNAXINIWKI-UHFFFAOYSA-N 1 2 360.458 2.111 40 0 FEABLO Cc1c(NC(=O)CN2CC[NH+](Cc3ccccc3Cl)CC2)cnn1C ZINC000019715520 539667695 /nfs/dbraw/zinc/66/76/95/539667695.db2.gz ADJWEJRICHPDKI-UHFFFAOYSA-N 1 2 361.877 2.138 40 0 FEABLO C[N@H+](CC(=O)Nc1ccc(N2CCCC2)c2nonc21)Cc1ccccn1 ZINC000019717621 539668215 /nfs/dbraw/zinc/66/82/15/539668215.db2.gz VZWOBYFATXPPKX-UHFFFAOYSA-N 1 2 366.425 2.289 40 0 FEABLO C[N@@H+](CC(=O)Nc1ccc(N2CCCC2)c2nonc21)Cc1ccccn1 ZINC000019717621 539668218 /nfs/dbraw/zinc/66/82/18/539668218.db2.gz VZWOBYFATXPPKX-UHFFFAOYSA-N 1 2 366.425 2.289 40 0 FEABLO CC[NH+](CC)CCOc1ccccc1NS(=O)(=O)c1cn(C)nc1C ZINC000057823201 540817397 /nfs/dbraw/zinc/81/73/97/540817397.db2.gz AAICSKQCQBJEHD-UHFFFAOYSA-N 1 2 366.487 2.250 40 0 FEABLO Cc1cnc(C(=O)N2CCC[C@@]3(C[C@H](Nc4cccc[nH+]4)CO3)C2)cn1 ZINC000096222949 209137708 /nfs/dbraw/zinc/13/77/08/209137708.db2.gz USKMZEFTNSHLLM-HNAYVOBHSA-N 1 2 353.426 2.056 40 0 FEABLO Cc1cc(CN2Cc3c[nH+]cn3C[C@@H](COc3ncccc3F)C2)no1 ZINC000096209358 209136484 /nfs/dbraw/zinc/13/64/84/209136484.db2.gz JHZUILGPCIAVIE-AWEZNQCLSA-N 1 2 357.389 2.425 40 0 FEABLO c1csc(C[N@@H+]2CCO[C@@]3(C2)COCCN(c2nccs2)C3)c1 ZINC000096076870 209108458 /nfs/dbraw/zinc/10/84/58/209108458.db2.gz ZRAMUZDYSSPSIO-MRXNPFEDSA-N 1 2 351.497 2.312 40 0 FEABLO c1csc(C[N@H+]2CCO[C@@]3(C2)COCCN(c2nccs2)C3)c1 ZINC000096076870 209108462 /nfs/dbraw/zinc/10/84/62/209108462.db2.gz ZRAMUZDYSSPSIO-MRXNPFEDSA-N 1 2 351.497 2.312 40 0 FEABLO COc1ncc(C2(O)CC[NH+](Cc3cccc(F)c3F)CC2)c(OC)n1 ZINC000012186373 207345451 /nfs/dbraw/zinc/34/54/51/207345451.db2.gz IGZGWILPYIAKSO-UHFFFAOYSA-N 1 2 365.380 2.256 40 0 FEABLO O=c1[nH]c(N2CCCC2)nc2c1CC[N@H+](CC1=Cc3ccccc3OC1)C2 ZINC000012142738 207342659 /nfs/dbraw/zinc/34/26/59/207342659.db2.gz SBBHUEZKGCIYDB-UHFFFAOYSA-N 1 2 364.449 2.204 40 0 FEABLO O=c1[nH]c(N2CCCC2)nc2c1CC[N@@H+](CC1=Cc3ccccc3OC1)C2 ZINC000012142738 207342661 /nfs/dbraw/zinc/34/26/61/207342661.db2.gz SBBHUEZKGCIYDB-UHFFFAOYSA-N 1 2 364.449 2.204 40 0 FEABLO Cc1occc1C(=O)N1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096048937 209103040 /nfs/dbraw/zinc/10/30/40/209103040.db2.gz AEQJTLLVDDUPFS-UHFFFAOYSA-N 1 2 355.438 2.490 40 0 FEABLO Cc1occc1C(=O)N1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096048937 209103042 /nfs/dbraw/zinc/10/30/42/209103042.db2.gz AEQJTLLVDDUPFS-UHFFFAOYSA-N 1 2 355.438 2.490 40 0 FEABLO Cc1occc1C(=O)N1CCC2(CC1)C[N@H+](Cc1ccccn1)CCO2 ZINC000096038474 209098529 /nfs/dbraw/zinc/09/85/29/209098529.db2.gz NUTGMDCORZVNGM-UHFFFAOYSA-N 1 2 355.438 2.490 40 0 FEABLO Cc1occc1C(=O)N1CCC2(CC1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000096038474 209098531 /nfs/dbraw/zinc/09/85/31/209098531.db2.gz NUTGMDCORZVNGM-UHFFFAOYSA-N 1 2 355.438 2.490 40 0 FEABLO CCn1nc(C)cc1C(=O)N1Cc2[nH+]cn(C)c2[C@H](COCC(C)C)C1 ZINC000096044858 209099676 /nfs/dbraw/zinc/09/96/76/209099676.db2.gz ZFMAJMGEVBMTEX-HNNXBMFYSA-N 1 2 359.474 2.357 40 0 FEABLO Cc1ccc(CC(=O)N(C)C[C@@]2(O)CCCN(c3cccc[nH+]3)C2)s1 ZINC000257326774 132297274 /nfs/dbraw/zinc/29/72/74/132297274.db2.gz WYNUBLAIBVYKTR-IBGZPJMESA-N 1 2 359.495 2.484 40 0 FEABLO COc1ccc(NCc2n[nH]c([C@H]([NH3+])c3ccc(OC)c(OC)c3)n2)cc1 ZINC000095533828 542983000 /nfs/dbraw/zinc/98/30/00/542983000.db2.gz DGJAOJAGIJOPKI-GOSISDBHSA-N 1 2 369.425 2.491 40 0 FEABLO COc1ccc(NCc2nnc([C@H]([NH3+])c3ccc(OC)c(OC)c3)[nH]2)cc1 ZINC000095533828 542983003 /nfs/dbraw/zinc/98/30/03/542983003.db2.gz DGJAOJAGIJOPKI-GOSISDBHSA-N 1 2 369.425 2.491 40 0 FEABLO COc1ccc(NCc2nc([C@H]([NH3+])c3ccc(OC)c(OC)c3)n[nH]2)cc1 ZINC000095533828 542983005 /nfs/dbraw/zinc/98/30/05/542983005.db2.gz DGJAOJAGIJOPKI-GOSISDBHSA-N 1 2 369.425 2.491 40 0 FEABLO c1cnc(NC[C@H]2CCC3(C[NH+](Cc4ccc5c(c4)OCO5)C3)OC2)nc1 ZINC000248329263 549418823 /nfs/dbraw/zinc/41/88/23/549418823.db2.gz DBBCWFJFLGFVBJ-MRXNPFEDSA-N 1 2 368.437 2.298 40 0 FEABLO Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@@H](CNc2cccc[nH+]2)C1 ZINC000252014364 549662358 /nfs/dbraw/zinc/66/23/58/549662358.db2.gz UTTOYOQLBGFTNP-HNNXBMFYSA-N 1 2 366.425 2.267 40 0 FEABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@@H]1c1cc(N)nc(C)n1 ZINC000257223550 549718457 /nfs/dbraw/zinc/71/84/57/549718457.db2.gz DXWYOKABGWAUNV-OAHLLOKOSA-N 1 2 350.426 2.230 40 0 FEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)[nH+]1 ZINC000257262348 549722030 /nfs/dbraw/zinc/72/20/30/549722030.db2.gz LLBLSWYRCUARNS-OAHLLOKOSA-N 1 2 352.442 2.408 40 0 FEABLO OCCNc1nc(NCc2ccccc2Cl)cc(-c2cccnc2)[nH+]1 ZINC000328992582 553860339 /nfs/dbraw/zinc/86/03/39/553860339.db2.gz IXECCZRZIZLKOX-UHFFFAOYSA-N 1 2 355.829 2.052 40 0 FEABLO OCCCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329049020 553871167 /nfs/dbraw/zinc/87/11/67/553871167.db2.gz ULUGKOZPDCSNBA-UHFFFAOYSA-N 1 2 371.391 2.067 40 0 FEABLO C[C@@H]1c2[nH+]cc(CCOCc3ccncc3)n2CCN1Cc1cn[nH]c1 ZINC000585096795 571221260 /nfs/dbraw/zinc/22/12/60/571221260.db2.gz AUTVHROVHUICQO-OAHLLOKOSA-N 1 2 352.442 2.337 40 0 FEABLO CCOC[C@H]1CC[N@H+](C)C2(CN(S(=O)(=O)c3cccc(Cl)c3)C2)C1 ZINC000585103101 571223277 /nfs/dbraw/zinc/22/32/77/571223277.db2.gz QBNKVLLFYATTFZ-AWEZNQCLSA-N 1 2 372.918 2.461 40 0 FEABLO CCOC[C@H]1CC[N@@H+](C)C2(CN(S(=O)(=O)c3cccc(Cl)c3)C2)C1 ZINC000585103101 571223279 /nfs/dbraw/zinc/22/32/79/571223279.db2.gz QBNKVLLFYATTFZ-AWEZNQCLSA-N 1 2 372.918 2.461 40 0 FEABLO Cc1nc(N2CC[C@@H](c3c4nccnc4sc3C(=O)N(C)C)C2)cc[nH+]1 ZINC000585180123 571237983 /nfs/dbraw/zinc/23/79/83/571237983.db2.gz FXNFZQZSOPSPIX-GFCCVEGCSA-N 1 2 368.466 2.485 40 0 FEABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(O)cc2)C3)C1 ZINC000012182661 539548474 /nfs/dbraw/zinc/54/84/74/539548474.db2.gz PJODSEPHYJNNCZ-CQSZACIVSA-N 1 2 354.454 2.270 40 0 FEABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(O)cc2)C3)C1 ZINC000012182661 539548476 /nfs/dbraw/zinc/54/84/76/539548476.db2.gz PJODSEPHYJNNCZ-CQSZACIVSA-N 1 2 354.454 2.270 40 0 FEABLO Cc1c[nH]nc1C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000257337959 210002818 /nfs/dbraw/zinc/00/28/18/210002818.db2.gz YVFQEXBCMUQBOV-HNNXBMFYSA-N 1 2 350.426 2.394 40 0 FEABLO COc1ccc(CN2Cc3[nH+]c[nH]c3C[C@H]2C(=O)NCc2ccco2)cc1 ZINC000015676292 539621724 /nfs/dbraw/zinc/62/17/24/539621724.db2.gz UGWQWPNCFUXOCA-IBGZPJMESA-N 1 2 366.421 2.255 40 0 biogenic,in-vitro FEABLO COc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2C(=O)NCc2ccco2)cc1 ZINC000015676292 539621727 /nfs/dbraw/zinc/62/17/27/539621727.db2.gz UGWQWPNCFUXOCA-IBGZPJMESA-N 1 2 366.421 2.255 40 0 biogenic,in-vitro FEABLO Cn1nc(-c2cccnc2)cc1C[NH+]1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000019289000 539654826 /nfs/dbraw/zinc/65/48/26/539654826.db2.gz DIJBJZZVJNDCTL-QGZVFWFLSA-N 1 2 365.481 2.483 40 0 FEABLO Cn1c2ccccc2nc1N1CCC[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000019289977 539655017 /nfs/dbraw/zinc/65/50/17/539655017.db2.gz KUAYJQIPFSJUBZ-MRXNPFEDSA-N 1 2 366.469 2.193 40 0 FEABLO O=C(CN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000019372186 539656446 /nfs/dbraw/zinc/65/64/46/539656446.db2.gz SKXKAIDGMNRYKX-UHFFFAOYSA-N 1 2 352.434 2.458 40 0 FEABLO CC(C)c1ncc(C[N@@H+]2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cn1 ZINC000019454108 539656993 /nfs/dbraw/zinc/65/69/93/539656993.db2.gz ZPIZVDHZBMKQHN-UHFFFAOYSA-N 1 2 362.437 2.304 40 0 FEABLO CC(C)c1ncc(C[N@H+]2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cn1 ZINC000019454108 539656998 /nfs/dbraw/zinc/65/69/98/539656998.db2.gz ZPIZVDHZBMKQHN-UHFFFAOYSA-N 1 2 362.437 2.304 40 0 FEABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(F)cc2)C3)C[C@H](C)O1 ZINC000019497588 539658686 /nfs/dbraw/zinc/65/86/86/539658686.db2.gz LOTAVFGYBMYJGD-OKILXGFUSA-N 1 2 372.444 2.493 40 0 FEABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(F)cc2)C3)C[C@H](C)O1 ZINC000019497588 539658683 /nfs/dbraw/zinc/65/86/83/539658683.db2.gz LOTAVFGYBMYJGD-OKILXGFUSA-N 1 2 372.444 2.493 40 0 FEABLO Cn1cc2c(n1)[C@H](C(=O)Nc1ccccc1F)CN(Cc1[nH]cc[nH+]1)C2 ZINC000019701562 539665616 /nfs/dbraw/zinc/66/56/16/539665616.db2.gz FDTVQAVQKZDLSX-CYBMUJFWSA-N 1 2 354.389 2.020 40 0 FEABLO Cn1cc2c(n1)[C@H](C(=O)Nc1ccccc1F)C[N@@H+](Cc1ncc[nH]1)C2 ZINC000019701562 539665619 /nfs/dbraw/zinc/66/56/19/539665619.db2.gz FDTVQAVQKZDLSX-CYBMUJFWSA-N 1 2 354.389 2.020 40 0 FEABLO Cn1cc2c(n1)[C@H](C(=O)Nc1ccccc1F)C[N@H+](Cc1ncc[nH]1)C2 ZINC000019701562 539665620 /nfs/dbraw/zinc/66/56/20/539665620.db2.gz FDTVQAVQKZDLSX-CYBMUJFWSA-N 1 2 354.389 2.020 40 0 FEABLO Cc1ccc(-c2nc3ncc4c(ccn(CCc5c[nH+]c[nH]5)c4=O)n3n2)cc1 ZINC000020676928 539676694 /nfs/dbraw/zinc/67/66/94/539676694.db2.gz QLRQXXMBGZBYGV-UHFFFAOYSA-N 1 2 371.404 2.380 40 0 FEABLO Cc1ccc(-c2nc3ncc4c(ccn(CCc5c[nH]c[nH+]5)c4=O)n3n2)cc1 ZINC000020676928 539676698 /nfs/dbraw/zinc/67/66/98/539676698.db2.gz QLRQXXMBGZBYGV-UHFFFAOYSA-N 1 2 371.404 2.380 40 0 FEABLO COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)cn1 ZINC000019719102 539668510 /nfs/dbraw/zinc/66/85/10/539668510.db2.gz OGHVFVGPHVTICD-SFHVURJKSA-N 1 2 355.438 2.202 40 0 FEABLO CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC000020255910 539673344 /nfs/dbraw/zinc/67/33/44/539673344.db2.gz MAMYMGDMOBSRLQ-LEWJYISDSA-N 1 2 356.466 2.453 40 0 FEABLO O=C(c1ccncc1)N1CCO[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C[C@@H]21 ZINC000108525971 209289100 /nfs/dbraw/zinc/28/91/00/209289100.db2.gz VGWLFCHYFUGZGI-ROUUACIJSA-N 1 2 373.403 2.475 40 0 FEABLO O=C(c1ccncc1)N1CCO[C@H]2CC[N@H+](Cc3cccc(F)c3F)C[C@@H]21 ZINC000108525971 209289104 /nfs/dbraw/zinc/28/91/04/209289104.db2.gz VGWLFCHYFUGZGI-ROUUACIJSA-N 1 2 373.403 2.475 40 0 FEABLO O=C(COc1ccccc1)N1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355413 541801181 /nfs/dbraw/zinc/80/11/81/541801181.db2.gz TXPCCCBJXXLQFT-MRXNPFEDSA-N 1 2 363.421 2.447 40 0 FEABLO CC(C)CC(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251264 209144450 /nfs/dbraw/zinc/14/44/50/209144450.db2.gz PITYKKYPVGNTPK-UWJYYQICSA-N 1 2 372.513 2.261 40 0 FEABLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(S(=O)(=O)c1cccs1)C2 ZINC000096084104 209109320 /nfs/dbraw/zinc/10/93/20/209109320.db2.gz ZBQYUMYNOWGJFM-UHFFFAOYSA-N 1 2 354.501 2.058 40 0 FEABLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(S(=O)(=O)c1cccs1)C2 ZINC000096084104 209109323 /nfs/dbraw/zinc/10/93/23/209109323.db2.gz ZBQYUMYNOWGJFM-UHFFFAOYSA-N 1 2 354.501 2.058 40 0 FEABLO COc1ccc([C@H](NC(=O)c2cccnc2)c2[nH+]ccn2C)cc1OC ZINC000012114942 207338770 /nfs/dbraw/zinc/33/87/70/207338770.db2.gz UCQKINAHJKHXQQ-KRWDZBQOSA-N 1 2 352.394 2.352 40 0 FEABLO O=C(NCC[NH+]1CCOCC1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000030848022 208007021 /nfs/dbraw/zinc/00/70/21/208007021.db2.gz ZBCFJKBLYWYNLZ-UHFFFAOYSA-N 1 2 365.477 2.311 40 0 FEABLO C[N@H+](Cc1cn2c(n1)CN(C(=O)c1ccoc1)CC2)Cc1cccnc1 ZINC000096059549 209104970 /nfs/dbraw/zinc/10/49/70/209104970.db2.gz TXOBDOJZOZTOBA-UHFFFAOYSA-N 1 2 351.410 2.159 40 0 FEABLO C[N@@H+](Cc1cn2c(n1)CN(C(=O)c1ccoc1)CC2)Cc1cccnc1 ZINC000096059549 209104972 /nfs/dbraw/zinc/10/49/72/209104972.db2.gz TXOBDOJZOZTOBA-UHFFFAOYSA-N 1 2 351.410 2.159 40 0 FEABLO COC[C@H]1c2c(cnn2CC2CCOCC2)CC[N@@H+]1Cc1cccnc1 ZINC000096044541 209100065 /nfs/dbraw/zinc/10/00/65/209100065.db2.gz HPVFHRRSWKFIRU-IBGZPJMESA-N 1 2 356.470 2.451 40 0 FEABLO COC[C@H]1CN(C(=O)COc2ccccc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045091 209100522 /nfs/dbraw/zinc/10/05/22/209100522.db2.gz QWONNGWDOTYNDZ-MRXNPFEDSA-N 1 2 355.438 2.444 40 0 FEABLO COC[C@H]1c2c(cnn2CC2CCOCC2)CC[N@H+]1Cc1cccnc1 ZINC000096044541 209100061 /nfs/dbraw/zinc/10/00/61/209100061.db2.gz HPVFHRRSWKFIRU-IBGZPJMESA-N 1 2 356.470 2.451 40 0 FEABLO CCC[C@@H](c1nnnn1CCOC)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670027 136129928 /nfs/dbraw/zinc/12/99/28/136129928.db2.gz WXNNXVJQPTXJFE-KRWDZBQOSA-N 1 2 362.453 2.122 40 0 FEABLO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000112543656 543451034 /nfs/dbraw/zinc/45/10/34/543451034.db2.gz BIRCVMIMKOFNFQ-GOSISDBHSA-N 1 2 369.465 2.372 40 0 FEABLO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000112543656 543451036 /nfs/dbraw/zinc/45/10/36/543451036.db2.gz BIRCVMIMKOFNFQ-GOSISDBHSA-N 1 2 369.465 2.372 40 0 FEABLO O=C(NCC1CCOCC1)[C@@H]1CN(Cc2ccsc2)Cc2c[nH+]cn21 ZINC000247459437 549336356 /nfs/dbraw/zinc/33/63/56/549336356.db2.gz AGWWSPASGXWSJH-KRWDZBQOSA-N 1 2 360.483 2.044 40 0 FEABLO Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)o1 ZINC000223124807 548716122 /nfs/dbraw/zinc/71/61/22/548716122.db2.gz FPZYWZWHVMIAGE-ZWKOTPCHSA-N 1 2 372.494 2.288 40 0 FEABLO C[NH+]1CCN(C(=O)c2snnc2-c2ccc(Br)cc2)CC1 ZINC000225785258 548742434 /nfs/dbraw/zinc/74/24/34/548742434.db2.gz KOBPOPSPYHRELL-UHFFFAOYSA-N 1 2 367.272 2.355 40 0 FEABLO O=C(COC1CCCC1)N1Cc2ccnn2C[C@H](CNc2cccc[nH+]2)C1 ZINC000247739273 549376410 /nfs/dbraw/zinc/37/64/10/549376410.db2.gz MVAOGFLZBCTXTF-MRXNPFEDSA-N 1 2 369.469 2.308 40 0 FEABLO Cc1ccc(C[NH+]2CC3(C2)C[C@H](OCC(=O)N2CCCC2)CCO3)cc1 ZINC000248074012 549405700 /nfs/dbraw/zinc/40/57/00/549405700.db2.gz GYOIRQJCPDAUQB-LJQANCHMSA-N 1 2 358.482 2.367 40 0 FEABLO COc1ccccc1C[N@H+]1Cc2ccnn2[C@H](CCNC(=O)C2CC2)C1 ZINC000248130261 549409666 /nfs/dbraw/zinc/40/96/66/549409666.db2.gz JYDMSXDCSCYLHQ-QGZVFWFLSA-N 1 2 354.454 2.365 40 0 FEABLO COc1ccccc1C[N@@H+]1Cc2ccnn2[C@H](CCNC(=O)C2CC2)C1 ZINC000248130261 549409668 /nfs/dbraw/zinc/40/96/68/549409668.db2.gz JYDMSXDCSCYLHQ-QGZVFWFLSA-N 1 2 354.454 2.365 40 0 FEABLO COc1ccccc1C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccno1)CO2 ZINC000248154576 549411809 /nfs/dbraw/zinc/41/18/09/549411809.db2.gz YDNARWNTKAQXIX-HNNXBMFYSA-N 1 2 371.437 2.094 40 0 FEABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1CC(=O)N1CCCCC1 ZINC000257209053 549717564 /nfs/dbraw/zinc/71/75/64/549717564.db2.gz BOTWZPFOJMWHJJ-QGZVFWFLSA-N 1 2 354.454 2.461 40 0 FEABLO CNc1cc([C@@H]2CCCN(C(=O)Cn3nc4ccccc4n3)C2)cc[nH+]1 ZINC000257285596 549723722 /nfs/dbraw/zinc/72/37/22/549723722.db2.gz PHXFLYDACKRCFW-OAHLLOKOSA-N 1 2 350.426 2.274 40 0 FEABLO CCn1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCNc2ncc(C)cn2)cn1 ZINC000306130208 553748887 /nfs/dbraw/zinc/74/88/87/553748887.db2.gz IZDYXIYXONRTNM-KRWDZBQOSA-N 1 2 356.474 2.095 40 0 FEABLO O=C([C@@H]1CN(CCOCc2ccccc2)Cc2c[nH+]cn21)N1CCCCO1 ZINC000306140760 553750357 /nfs/dbraw/zinc/75/03/57/553750357.db2.gz VDIGYBRQLBYZEJ-IBGZPJMESA-N 1 2 370.453 2.011 40 0 FEABLO CC(C)n1cc(C[N@H+]2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)cn1 ZINC000306144225 553751124 /nfs/dbraw/zinc/75/11/24/553751124.db2.gz YZRCAPYOHTYCBM-INIZCTEOSA-N 1 2 366.473 2.195 40 0 FEABLO CC(C)n1cc(C[N@@H+]2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)cn1 ZINC000306144225 553751128 /nfs/dbraw/zinc/75/11/28/553751128.db2.gz YZRCAPYOHTYCBM-INIZCTEOSA-N 1 2 366.473 2.195 40 0 FEABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@H+](Cc4ccoc4)C[C@H]2S3(=O)=O)cn1 ZINC000306142112 553751216 /nfs/dbraw/zinc/75/12/16/553751216.db2.gz WPTPLYHQMNHJMP-PKOBYXMFSA-N 1 2 369.446 2.435 40 0 FEABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@@H+](Cc4ccoc4)C[C@H]2S3(=O)=O)cn1 ZINC000306142112 553751217 /nfs/dbraw/zinc/75/12/17/553751217.db2.gz WPTPLYHQMNHJMP-PKOBYXMFSA-N 1 2 369.446 2.435 40 0 FEABLO C[C@@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329058305 553873400 /nfs/dbraw/zinc/87/34/00/553873400.db2.gz WBUZRRTVKXDKBK-ZDUSSCGKSA-N 1 2 369.856 2.441 40 0 FEABLO COc1c(Br)cc([C@H]2NC(=O)CC[NH2+]2)cc1Br ZINC000408736828 558689224 /nfs/dbraw/zinc/68/92/24/558689224.db2.gz ISSPWQOAHMGTNU-LLVKDONJSA-N 1 2 364.037 2.328 40 0 FEABLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585289302 570495148 /nfs/dbraw/zinc/49/51/48/570495148.db2.gz PJRVJZRMSYZQJU-LATQFLISSA-N 1 2 359.401 2.381 40 0 FEABLO COCc1cccc(-c2c[nH+]c3n2CCN(C(=O)[C@H]2CCOC2)CC3)c1 ZINC000585111227 571226778 /nfs/dbraw/zinc/22/67/78/571226778.db2.gz KJTWKWUPLICOBH-KRWDZBQOSA-N 1 2 355.438 2.118 40 0 FEABLO Cc1cccc(C[N@H+]2CCc3c(nc(N4CCCC[C@H]4C)[nH]c3=O)C2)n1 ZINC000012117808 539545101 /nfs/dbraw/zinc/54/51/01/539545101.db2.gz GVTGYXNVTRJXRU-OAHLLOKOSA-N 1 2 353.470 2.410 40 0 FEABLO Cc1cccc(C[N@@H+]2CCc3c(nc(N4CCCC[C@H]4C)[nH]c3=O)C2)n1 ZINC000012117808 539545104 /nfs/dbraw/zinc/54/51/04/539545104.db2.gz GVTGYXNVTRJXRU-OAHLLOKOSA-N 1 2 353.470 2.410 40 0 FEABLO CCc1[nH+]c2cc(NC(=O)Cn3c(C)cc(C)nc3=O)ccc2n1CC ZINC000019523212 539660152 /nfs/dbraw/zinc/66/01/52/539660152.db2.gz RJEQUOKOLSPHPG-UHFFFAOYSA-N 1 2 353.426 2.431 40 0 FEABLO Cc1ccc(Nc2ncc(C(=O)N[C@@H](C)C[NH+]3CCOCC3)c(C)n2)cc1 ZINC000019714491 539667043 /nfs/dbraw/zinc/66/70/43/539667043.db2.gz ZCWLFGFGSRQIIR-HNNXBMFYSA-N 1 2 369.469 2.288 40 0 FEABLO Cc1nonc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3n2C)C1 ZINC000019715441 539667426 /nfs/dbraw/zinc/66/74/26/539667426.db2.gz FKUGQEOXBUNGSL-ZDUSSCGKSA-N 1 2 354.414 2.083 40 0 FEABLO Cc1nonc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3n2C)C1 ZINC000019715441 539667428 /nfs/dbraw/zinc/66/74/28/539667428.db2.gz FKUGQEOXBUNGSL-ZDUSSCGKSA-N 1 2 354.414 2.083 40 0 FEABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccc[nH]2)N1CCC[NH+]1CCOCC1 ZINC000223169222 209751028 /nfs/dbraw/zinc/75/10/28/209751028.db2.gz NYQSGGRTISJJTH-ROUUACIJSA-N 1 2 371.510 2.105 40 0 FEABLO Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000257296680 223055521 /nfs/dbraw/zinc/05/55/21/223055521.db2.gz RDWUIVVZQSPOLT-HNNXBMFYSA-N 1 2 366.425 2.036 40 0 FEABLO COc1cccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)Nc4cccnc4)[C@@H](C2)O3)c1 ZINC000096253360 209144783 /nfs/dbraw/zinc/14/47/83/209144783.db2.gz NKEOJUGEQONHJM-CEXWTWQISA-N 1 2 353.422 2.318 40 0 FEABLO COc1cccc(C[N@H+]2C[C@H]3C[C@H](C(=O)Nc4cccnc4)[C@@H](C2)O3)c1 ZINC000096253360 209144785 /nfs/dbraw/zinc/14/47/85/209144785.db2.gz NKEOJUGEQONHJM-CEXWTWQISA-N 1 2 353.422 2.318 40 0 FEABLO Cn1cc[nH+]c1CN1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 ZINC000096160036 209128078 /nfs/dbraw/zinc/12/80/78/209128078.db2.gz QDOGGNRVVFQCRF-FXAWDEMLSA-N 1 2 356.470 2.403 40 0 FEABLO O=C(C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2)NC1CCCCC1 ZINC000012183446 207344753 /nfs/dbraw/zinc/34/47/53/207344753.db2.gz RRZQQVKPTOYGTC-UHFFFAOYSA-N 1 2 357.454 2.050 40 0 FEABLO COc1ncc(C2(O)CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(OC)n1 ZINC000012186351 207345075 /nfs/dbraw/zinc/34/50/75/207345075.db2.gz RQZCQKBFZOWFFD-UHFFFAOYSA-N 1 2 365.380 2.256 40 0 FEABLO CCn1cc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c(C)n1 ZINC000012122481 207339704 /nfs/dbraw/zinc/33/97/04/207339704.db2.gz YSNNQLVYGCQDNS-UHFFFAOYSA-N 1 2 350.426 2.327 40 0 FEABLO CCn1cc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c(C)n1 ZINC000012122481 207339709 /nfs/dbraw/zinc/33/97/09/207339709.db2.gz YSNNQLVYGCQDNS-UHFFFAOYSA-N 1 2 350.426 2.327 40 0 FEABLO CCn1cc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c(C)n1 ZINC000012325265 207361075 /nfs/dbraw/zinc/36/10/75/207361075.db2.gz UCWROQYJAQMJRP-OAHLLOKOSA-N 1 2 370.906 2.446 40 0 FEABLO CCc1ccc(CCOc2ccc(C[C@H]3S[C@@H]([NH3+])NC3=O)cc2)nc1 ZINC000075629365 208195182 /nfs/dbraw/zinc/19/51/82/208195182.db2.gz YGJNWQBRZQDIPS-MJGOQNOKSA-N 1 2 357.479 2.282 40 0 FEABLO CCOCC[N@H+]1Cc2ncn(C)c2[C@H](COCc2csc(C)n2)C1 ZINC000096045042 209100184 /nfs/dbraw/zinc/10/01/84/209100184.db2.gz LRIQLZFTUULUPV-AWEZNQCLSA-N 1 2 350.488 2.338 40 0 FEABLO CCOCC[N@@H+]1Cc2ncn(C)c2[C@H](COCc2csc(C)n2)C1 ZINC000096045042 209100185 /nfs/dbraw/zinc/10/01/85/209100185.db2.gz LRIQLZFTUULUPV-AWEZNQCLSA-N 1 2 350.488 2.338 40 0 FEABLO Cc1nc(C[N@@H+]2CCOC3(CCN(c4ncc(C)cn4)CC3)C2)cs1 ZINC000096158813 132221115 /nfs/dbraw/zinc/22/11/15/132221115.db2.gz ZIUYPUMRAFATEX-UHFFFAOYSA-N 1 2 359.499 2.421 40 0 FEABLO Cc1nc(C[N@H+]2CCOC3(CCN(c4ncc(C)cn4)CC3)C2)cs1 ZINC000096158813 132221116 /nfs/dbraw/zinc/22/11/16/132221116.db2.gz ZIUYPUMRAFATEX-UHFFFAOYSA-N 1 2 359.499 2.421 40 0 FEABLO COCCn1nnnc1[C@H](C(C)C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057613874 136129614 /nfs/dbraw/zinc/12/96/14/136129614.db2.gz YFFIAVCPVRREGE-IBGZPJMESA-N 1 2 372.517 2.456 40 0 FEABLO Cn1cc[nH+]c1CN1C[C@@H]2C[C@H]1C(=O)N(CC1CC1)c1ccccc1O2 ZINC000096111818 542992155 /nfs/dbraw/zinc/99/21/55/542992155.db2.gz KFLSJZPCIFAPEQ-RDJZCZTQSA-N 1 2 352.438 2.199 40 0 biogenic,in-vitro FEABLO Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)[nH]1 ZINC000223163600 548716768 /nfs/dbraw/zinc/71/67/68/548716768.db2.gz HYLRDCCUTCLVBQ-ROUUACIJSA-N 1 2 371.510 2.023 40 0 FEABLO O=C(c1ccc2c(c1)OCO2)N1Cc2c[nH+]cn2[C@@H](COCC2CC2)C1 ZINC000247827899 549385250 /nfs/dbraw/zinc/38/52/50/549385250.db2.gz JQRRAAFMTHMGDE-MRXNPFEDSA-N 1 2 355.394 2.236 40 0 FEABLO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCC(=O)N2CCCC2)CCO3)cc1 ZINC000248074003 549405570 /nfs/dbraw/zinc/40/55/70/549405570.db2.gz GYOIRQJCPDAUQB-IBGZPJMESA-N 1 2 358.482 2.367 40 0 FEABLO Cc1ccoc1C(=O)N1Cc2c[nH+]cn2[C@H](COc2nccc(C)n2)C1 ZINC000253480959 549689621 /nfs/dbraw/zinc/68/96/21/549689621.db2.gz ZYUGKOZMSCIPMQ-HNNXBMFYSA-N 1 2 353.382 2.159 40 0 FEABLO c1cc(C[N@H+]2CCC[C@@H](Cc3cc(Nc4nncs4)ncn3)C2)n[nH]1 ZINC000257243788 549720666 /nfs/dbraw/zinc/72/06/66/549720666.db2.gz IINZGOFLKHBUSO-LBPRGKRZSA-N 1 2 356.459 2.250 40 0 FEABLO c1cc(C[N@@H+]2CCC[C@@H](Cc3cc(Nc4nncs4)ncn3)C2)n[nH]1 ZINC000257243788 549720670 /nfs/dbraw/zinc/72/06/70/549720670.db2.gz IINZGOFLKHBUSO-LBPRGKRZSA-N 1 2 356.459 2.250 40 0 FEABLO C[NH+](C)Cc1ccnc([C@@H]2CCCN2C(=O)c2[nH]nc3ccccc32)n1 ZINC000257247651 549721038 /nfs/dbraw/zinc/72/10/38/549721038.db2.gz IZYJPZQWBVAMNE-INIZCTEOSA-N 1 2 350.426 2.392 40 0 FEABLO Cn1cncc1C[N@@H+]1CCC[C@@H](Cc2cc(Nc3nncs3)ncn2)C1 ZINC000257268301 549723099 /nfs/dbraw/zinc/72/30/99/549723099.db2.gz MLBGPZBEQSFFFK-ZDUSSCGKSA-N 1 2 370.486 2.260 40 0 FEABLO Cn1cncc1C[N@H+]1CCC[C@@H](Cc2cc(Nc3nncs3)ncn2)C1 ZINC000257268301 549723103 /nfs/dbraw/zinc/72/31/03/549723103.db2.gz MLBGPZBEQSFFFK-ZDUSSCGKSA-N 1 2 370.486 2.260 40 0 FEABLO O=C(COc1ccc(F)cc1)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306124082 553748373 /nfs/dbraw/zinc/74/83/73/553748373.db2.gz BFRPJWKMQYVLKM-BMGDILEWSA-N 1 2 371.412 2.185 40 0 FEABLO COc1ncccc1CN1Cc2ccnn2C[C@@H](CNc2cccc[nH+]2)C1 ZINC000306135134 553749485 /nfs/dbraw/zinc/74/94/85/553749485.db2.gz OITNWGQGQJWSIQ-INIZCTEOSA-N 1 2 364.453 2.426 40 0 FEABLO CC(C)(C)OC(=O)N1CC[NH2+]C2(CN(C(=O)OCc3ccccc3)C2)C1 ZINC000306145928 553751199 /nfs/dbraw/zinc/75/11/99/553751199.db2.gz WEORAUDVHRAOIR-UHFFFAOYSA-N 1 2 361.442 2.218 40 0 FEABLO OCCCNc1nc(NCc2cccc(Cl)c2)cc(-c2cccnc2)[nH+]1 ZINC000328995211 553860654 /nfs/dbraw/zinc/86/06/54/553860654.db2.gz JHEBEJKZJJRBHO-UHFFFAOYSA-N 1 2 369.856 2.442 40 0 FEABLO OCCCNc1nc(NCc2ccccc2Cl)cc(-c2ccncc2)[nH+]1 ZINC000329004267 553862816 /nfs/dbraw/zinc/86/28/16/553862816.db2.gz KQOGEYMOOAWTJU-UHFFFAOYSA-N 1 2 369.856 2.442 40 0 FEABLO OCCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329041244 553869470 /nfs/dbraw/zinc/86/94/70/553869470.db2.gz SHAMCWIWDNKMAL-UHFFFAOYSA-N 1 2 356.376 2.282 40 0 FEABLO C[C@H](CO)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329048483 553871540 /nfs/dbraw/zinc/87/15/40/553871540.db2.gz UKZDBCXHDDKDBD-GFCCVEGCSA-N 1 2 371.391 2.065 40 0 FEABLO CCCCC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCCc2cccs2)C1 ZINC000585095952 571220997 /nfs/dbraw/zinc/22/09/97/571220997.db2.gz GIDQYIYWXQRHEY-MRXNPFEDSA-N 1 2 360.483 2.377 40 0 FEABLO Cn1cccc1C(=O)N1CCC[C@H]1c1ccnc(C[NH+]2CCOCC2)c1 ZINC000257338360 210002886 /nfs/dbraw/zinc/00/28/86/210002886.db2.gz YXAICEKYNOCFAT-SFHVURJKSA-N 1 2 354.454 2.230 40 0 FEABLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1ccc(F)cc1 ZINC000019291209 539654716 /nfs/dbraw/zinc/65/47/16/539654716.db2.gz COHRLYXSFJFRQE-QGZVFWFLSA-N 1 2 366.396 2.256 40 0 FEABLO Cc1noc(C)c1Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCOCC2)s1 ZINC000019581089 539661832 /nfs/dbraw/zinc/66/18/32/539661832.db2.gz GGBBPYXKJUHBJK-LBPRGKRZSA-N 1 2 363.483 2.394 40 0 FEABLO O=C(CCc1cccc(Cl)c1)N1CCC[C@@H](c2nnc3n2CC[NH2+]C3)C1 ZINC000019711036 539667340 /nfs/dbraw/zinc/66/73/40/539667340.db2.gz NQPIRIIEBKTRSO-OAHLLOKOSA-N 1 2 373.888 2.374 40 0 FEABLO CNc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)CC(C)(C)C2 ZINC000024755118 539739900 /nfs/dbraw/zinc/73/99/00/539739900.db2.gz HCDGIGVZPZGJEX-UHFFFAOYSA-N 1 2 366.469 2.395 40 0 FEABLO CCC[NH+]1CCN(C(=O)CSc2nnc(Cc3ccccc3)[nH]2)CC1 ZINC000025854899 539771321 /nfs/dbraw/zinc/77/13/21/539771321.db2.gz HGTLPPRNYRLTMY-UHFFFAOYSA-N 1 2 359.499 2.042 40 0 FEABLO CCC[NH+]1CCN(C(=O)CSc2nc(Cc3ccccc3)n[nH]2)CC1 ZINC000025854899 539771323 /nfs/dbraw/zinc/77/13/23/539771323.db2.gz HGTLPPRNYRLTMY-UHFFFAOYSA-N 1 2 359.499 2.042 40 0 FEABLO O=C(NCC[NH+]1CCOCC1)c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000225259576 209804930 /nfs/dbraw/zinc/80/49/30/209804930.db2.gz WZCOALDMZSCDIS-UHFFFAOYSA-N 1 2 350.422 2.292 40 0 FEABLO Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000257296681 223054939 /nfs/dbraw/zinc/05/49/39/223054939.db2.gz RDWUIVVZQSPOLT-OAHLLOKOSA-N 1 2 366.425 2.036 40 0 FEABLO OCc1ccc(C[NH2+]C2(Cc3cc(COc4ccccc4)on3)COC2)o1 ZINC000067898168 541526796 /nfs/dbraw/zinc/52/67/96/541526796.db2.gz QNPHLZKHRKJVEO-UHFFFAOYSA-N 1 2 370.405 2.440 40 0 biogenic,in-vitro FEABLO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(N)[nH]nc2n1)C1CCCCC1 ZINC000072374503 541802715 /nfs/dbraw/zinc/80/27/15/541802715.db2.gz AKDSNPKQZRSXKD-MRXNPFEDSA-N 1 2 356.474 2.468 40 0 FEABLO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(N)[nH]nc2n1)C1CCCCC1 ZINC000072374503 541802716 /nfs/dbraw/zinc/80/27/16/541802716.db2.gz AKDSNPKQZRSXKD-MRXNPFEDSA-N 1 2 356.474 2.468 40 0 FEABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)c2coc(C)n2)n1 ZINC000072378832 541803089 /nfs/dbraw/zinc/80/30/89/541803089.db2.gz QLVAHFAZQBSUIC-OAHLLOKOSA-N 1 2 352.398 2.498 40 0 FEABLO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000096226064 209139497 /nfs/dbraw/zinc/13/94/97/209139497.db2.gz PVYBDQZCTROCHV-LJQANCHMSA-N 1 2 357.385 2.456 40 0 FEABLO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096226064 209139501 /nfs/dbraw/zinc/13/95/01/209139501.db2.gz PVYBDQZCTROCHV-LJQANCHMSA-N 1 2 357.385 2.456 40 0 FEABLO Cn1nc(Cn2cc[nH+]c2)c2c1CN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096084492 209110046 /nfs/dbraw/zinc/11/00/46/209110046.db2.gz PEMOTJPKEJENOS-UHFFFAOYSA-N 1 2 358.405 2.369 40 0 FEABLO CCCNC(=O)C[N@@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000012184544 207345193 /nfs/dbraw/zinc/34/51/93/207345193.db2.gz RNWCMUXPEFYFQV-CYBMUJFWSA-N 1 2 351.834 2.411 40 0 FEABLO CCCNC(=O)C[N@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000012184544 207345198 /nfs/dbraw/zinc/34/51/98/207345198.db2.gz RNWCMUXPEFYFQV-CYBMUJFWSA-N 1 2 351.834 2.411 40 0 FEABLO COc1ccccc1-n1c(C)nc2c(cnn2C[NH+]2CCCCC2)c1=O ZINC000031771744 208017152 /nfs/dbraw/zinc/01/71/52/208017152.db2.gz QSFNGPWRCSBUMD-UHFFFAOYSA-N 1 2 353.426 2.343 40 0 FEABLO CCc1ccc(CCOc2ccc(C[C@@H]3S[C@@H]([NH3+])NC3=O)cc2)nc1 ZINC000075629366 208195641 /nfs/dbraw/zinc/19/56/41/208195641.db2.gz YGJNWQBRZQDIPS-HKUYNNGSSA-N 1 2 357.479 2.282 40 0 FEABLO Cc1ccc(N2C[C@]3(COCC[N@H+](Cc4ccco4)C3)OCC2=O)s1 ZINC000096051450 209101921 /nfs/dbraw/zinc/10/19/21/209101921.db2.gz JLTVNJZSFGTCAP-GOSISDBHSA-N 1 2 362.451 2.284 40 0 FEABLO Cc1ccc(N2C[C@]3(COCC[N@@H+](Cc4ccco4)C3)OCC2=O)s1 ZINC000096051450 209101922 /nfs/dbraw/zinc/10/19/22/209101922.db2.gz JLTVNJZSFGTCAP-GOSISDBHSA-N 1 2 362.451 2.284 40 0 FEABLO COc1ncccc1C(=O)N1Cc2[nH+]cn(C)c2[C@H](COCC(C)C)C1 ZINC000096044856 209100964 /nfs/dbraw/zinc/10/09/64/209100964.db2.gz IQJUNFWERCIBJX-AWEZNQCLSA-N 1 2 358.442 2.236 40 0 FEABLO COC[C@@H]1CN(C(=O)COc2ccccc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045090 209100240 /nfs/dbraw/zinc/10/02/40/209100240.db2.gz QWONNGWDOTYNDZ-INIZCTEOSA-N 1 2 355.438 2.444 40 0 FEABLO COc1cc2c(cc1OC)CN(c1cc(N[C@H](CO)C(C)C)[nH+]cn1)CC2 ZINC000329006322 132372402 /nfs/dbraw/zinc/37/24/02/132372402.db2.gz LCZWGCRTBIZHPH-MRXNPFEDSA-N 1 2 372.469 2.485 40 0 FEABLO COc1cc2c(cc1OC)CN(c1cc(N[C@H](CO)C(C)C)nc[nH+]1)CC2 ZINC000329006322 132372403 /nfs/dbraw/zinc/37/24/03/132372403.db2.gz LCZWGCRTBIZHPH-MRXNPFEDSA-N 1 2 372.469 2.485 40 0 FEABLO O=C(NC[C@@H]1Cn2nccc2C[N@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000247469495 549338754 /nfs/dbraw/zinc/33/87/54/549338754.db2.gz DXQXAGZLVGMGTB-INIZCTEOSA-N 1 2 367.478 2.402 40 0 FEABLO O=C(NC[C@@H]1Cn2nccc2C[N@@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000247469495 549338756 /nfs/dbraw/zinc/33/87/56/549338756.db2.gz DXQXAGZLVGMGTB-INIZCTEOSA-N 1 2 367.478 2.402 40 0 FEABLO O=S1(=O)CC[C@H](COc2ccccn2)C12C[NH+](CC1CCCC1)C2 ZINC000247349427 549323727 /nfs/dbraw/zinc/32/37/27/549323727.db2.gz VRWKAIITRSVQSO-MRXNPFEDSA-N 1 2 350.484 2.140 40 0 FEABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2CCNC(=O)c1ccno1 ZINC000248136468 549410589 /nfs/dbraw/zinc/41/05/89/549410589.db2.gz NHLFDWUFTWCIAK-MRXNPFEDSA-N 1 2 371.437 2.094 40 0 FEABLO Cc1noc(C)c1CN1Cc2c[nH+]cn2[C@@H](C(=O)NCc2cccs2)C1 ZINC000252008924 549661800 /nfs/dbraw/zinc/66/18/00/549661800.db2.gz QPZSSAQDPAINOH-QGZVFWFLSA-N 1 2 371.466 2.423 40 0 FEABLO Cc1noc(C)c1C(=O)N1CC2(C1)OCC[C@@H]2CCNc1cccc[nH+]1 ZINC000252016588 549661820 /nfs/dbraw/zinc/66/18/20/549661820.db2.gz VZJJTAOJQZMFMF-HNNXBMFYSA-N 1 2 356.426 2.420 40 0 FEABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+]2CC(=O)N(C)C)nc(C)n1 ZINC000257216198 549719061 /nfs/dbraw/zinc/71/90/61/549719061.db2.gz CTNMKRIHLXLCKQ-INIZCTEOSA-N 1 2 354.458 2.457 40 0 FEABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+]2CC(=O)N(C)C)nc(C)n1 ZINC000257216198 549719065 /nfs/dbraw/zinc/71/90/65/549719065.db2.gz CTNMKRIHLXLCKQ-INIZCTEOSA-N 1 2 354.458 2.457 40 0 FEABLO O=C(c1cccnc1)N1CCC[C@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257242272 549720963 /nfs/dbraw/zinc/72/09/63/549720963.db2.gz IBTLCPBSPSMNBF-IBGZPJMESA-N 1 2 352.438 2.286 40 0 FEABLO O=C(c1cncs1)N1CCC[C@H]1c1ccnc(C[NH+]2CCOCC2)c1 ZINC000257252956 549722007 /nfs/dbraw/zinc/72/20/07/549722007.db2.gz JWXGDELOKUUDJR-INIZCTEOSA-N 1 2 358.467 2.348 40 0 FEABLO Cn1c[nH+]cc1CN1CCC[C@H]1c1cccc(C(=O)Nc2cnccn2)n1 ZINC000257273352 549722937 /nfs/dbraw/zinc/72/29/37/549722937.db2.gz NGENTEKJRDMXTJ-KRWDZBQOSA-N 1 2 363.425 2.195 40 0 FEABLO Cc1ccc(N(C)[C@@H]2COC3(C2)CCN(C(=O)Cn2cc[nH+]c2)CC3)cc1 ZINC000257286555 549723789 /nfs/dbraw/zinc/72/37/89/549723789.db2.gz PLZUZYTWIXGKTK-IBGZPJMESA-N 1 2 368.481 2.478 40 0 FEABLO Cc1cc(N2CCC[C@H](Cc3cc(C(=O)N(C)C)ncn3)CC2)nc[nH+]1 ZINC000257276186 549724022 /nfs/dbraw/zinc/72/40/22/549724022.db2.gz NSROVCQECDCYBR-HNNXBMFYSA-N 1 2 354.458 2.126 40 0 FEABLO CC(=O)NCc1cnc([C@H]2C[N@H+](Cc3cccc4[nH]ccc43)CCO2)[nH]1 ZINC000257309878 549726711 /nfs/dbraw/zinc/72/67/11/549726711.db2.gz UCTKYPMNJKCJSM-GOSISDBHSA-N 1 2 353.426 2.101 40 0 FEABLO CC(=O)NCc1cnc([C@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CCO2)[nH]1 ZINC000257309878 549726713 /nfs/dbraw/zinc/72/67/13/549726713.db2.gz UCTKYPMNJKCJSM-GOSISDBHSA-N 1 2 353.426 2.101 40 0 FEABLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2OC(F)F)C[C@@]12CCCO2 ZINC000257320582 549727410 /nfs/dbraw/zinc/72/74/10/549727410.db2.gz VXKPGQZFZHMPAE-QAPCUYQASA-N 1 2 370.396 2.496 40 0 FEABLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2OC(F)F)C[C@@]12CCCO2 ZINC000257320582 549727413 /nfs/dbraw/zinc/72/74/13/549727413.db2.gz VXKPGQZFZHMPAE-QAPCUYQASA-N 1 2 370.396 2.496 40 0 FEABLO CCn1cc(C[N@H+]2Cc3ccnn3C[C@@H](OCc3ccncc3)C2)cn1 ZINC000306136958 553750401 /nfs/dbraw/zinc/75/04/01/553750401.db2.gz QHKXQUCQWPEIFD-IBGZPJMESA-N 1 2 352.442 2.096 40 0 FEABLO CCn1cc(C[N@@H+]2Cc3ccnn3C[C@@H](OCc3ccncc3)C2)cn1 ZINC000306136958 553750406 /nfs/dbraw/zinc/75/04/06/553750406.db2.gz QHKXQUCQWPEIFD-IBGZPJMESA-N 1 2 352.442 2.096 40 0 FEABLO COC(=O)c1ccc(OC)c(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1 ZINC000328979603 553857914 /nfs/dbraw/zinc/85/79/14/553857914.db2.gz GHKJMPUXKHSNJM-UHFFFAOYSA-N 1 2 354.410 2.311 40 0 FEABLO Cn1cnc2c1[C@H](C(=O)N1CC(F)(F)C1)C[N@H+](Cc1cccs1)C2 ZINC000585110819 571226808 /nfs/dbraw/zinc/22/68/08/571226808.db2.gz KRMSMFOWXPWIFW-GFCCVEGCSA-N 1 2 352.410 2.059 40 0 FEABLO Cn1cnc2c1[C@H](C(=O)N1CC(F)(F)C1)C[N@@H+](Cc1cccs1)C2 ZINC000585110819 571226809 /nfs/dbraw/zinc/22/68/09/571226809.db2.gz KRMSMFOWXPWIFW-GFCCVEGCSA-N 1 2 352.410 2.059 40 0 FEABLO CCC(C)(C)n1nnnc1[C@@H](c1ccc(C)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000004862018 539393869 /nfs/dbraw/zinc/39/38/69/539393869.db2.gz QKUVIOKDSIQOGR-QGZVFWFLSA-N 1 2 370.501 2.413 40 0 FEABLO CSc1nnc([C@H]2CCC[N@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)n1C ZINC000005001446 539399322 /nfs/dbraw/zinc/39/93/22/539399322.db2.gz KWVPCEYTUUHIGH-SOUVJXGZSA-N 1 2 365.547 2.411 40 0 FEABLO CSc1nnc([C@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)n1C ZINC000005001446 539399325 /nfs/dbraw/zinc/39/93/25/539399325.db2.gz KWVPCEYTUUHIGH-SOUVJXGZSA-N 1 2 365.547 2.411 40 0 FEABLO C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc(O)cc1)C2 ZINC000012239937 539551284 /nfs/dbraw/zinc/55/12/84/539551284.db2.gz DCLPIBDETKCNRD-AWEZNQCLSA-N 1 2 354.454 2.413 40 0 FEABLO C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccc(O)cc1)C2 ZINC000012239937 539551288 /nfs/dbraw/zinc/55/12/88/539551288.db2.gz DCLPIBDETKCNRD-AWEZNQCLSA-N 1 2 354.454 2.413 40 0 FEABLO CSc1nnc([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)n1C ZINC000013565148 539587365 /nfs/dbraw/zinc/58/73/65/539587365.db2.gz KWVPCEYTUUHIGH-RRFJBIMHSA-N 1 2 365.547 2.411 40 0 FEABLO CSc1nnc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)n1C ZINC000013565148 539587370 /nfs/dbraw/zinc/58/73/70/539587370.db2.gz KWVPCEYTUUHIGH-RRFJBIMHSA-N 1 2 365.547 2.411 40 0 FEABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3CC)C2=O)CC1 ZINC000013636638 539589727 /nfs/dbraw/zinc/58/97/27/539589727.db2.gz HBKIQLFZSSQYKL-QGZVFWFLSA-N 1 2 358.438 2.156 40 0 FEABLO Cc1ccn(CCC(=O)N2CCC3(CC(Nc4cc(C)[nH+]cn4)C3)C2)n1 ZINC000257336753 210002149 /nfs/dbraw/zinc/00/21/49/210002149.db2.gz YPVVFSNEAFLOFP-UHFFFAOYSA-N 1 2 354.458 2.173 40 0 FEABLO O=C(c1cccnc1)N1CCC[C@H]1c1ccnc(C[NH+]2CCOCC2)c1 ZINC000257344740 210005592 /nfs/dbraw/zinc/00/55/92/210005592.db2.gz ZYMPZCHPLNDYFQ-IBGZPJMESA-N 1 2 352.438 2.286 40 0 FEABLO COc1ccccc1C[N@@H+]1CCc2nc(-c3cnc(C)cn3)[nH]c(=O)c2C1 ZINC000019239083 539653883 /nfs/dbraw/zinc/65/38/83/539653883.db2.gz KHAUTAYKHRZDDJ-UHFFFAOYSA-N 1 2 363.421 2.102 40 0 FEABLO COc1ccccc1C[N@H+]1CCc2nc(-c3cnc(C)cn3)[nH]c(=O)c2C1 ZINC000019239083 539653888 /nfs/dbraw/zinc/65/38/88/539653888.db2.gz KHAUTAYKHRZDDJ-UHFFFAOYSA-N 1 2 363.421 2.102 40 0 FEABLO COc1cccc(OC[C@@H]2CCC[N@H+](CC(=O)Nc3ccn(C)n3)C2)c1 ZINC000019658892 539664050 /nfs/dbraw/zinc/66/40/50/539664050.db2.gz HOSGIAHWDWMWRC-OAHLLOKOSA-N 1 2 358.442 2.158 40 0 FEABLO COc1cccc(OC[C@@H]2CCC[N@@H+](CC(=O)Nc3ccn(C)n3)C2)c1 ZINC000019658892 539664055 /nfs/dbraw/zinc/66/40/55/539664055.db2.gz HOSGIAHWDWMWRC-OAHLLOKOSA-N 1 2 358.442 2.158 40 0 FEABLO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC4(CC3)OCCO4)C2=O)c(Cl)c1 ZINC000020634545 539676651 /nfs/dbraw/zinc/67/66/51/539676651.db2.gz HWEXSXWABHKVOC-OAHLLOKOSA-N 1 2 364.829 2.119 40 0 FEABLO Cc1nc(N2CCCC2)sc1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000019716611 539667441 /nfs/dbraw/zinc/66/74/41/539667441.db2.gz WKRWAHDSFQVRJM-OAHLLOKOSA-N 1 2 366.531 2.138 40 0 FEABLO Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCCC4)nc(N)c32)cc1 ZINC000019819967 539670048 /nfs/dbraw/zinc/67/00/48/539670048.db2.gz SJKHXYALHQTFSU-CYBMUJFWSA-N 1 2 366.425 2.032 40 0 FEABLO O=C(C[NH+]1CCC(NC(=O)c2ccccc2)CC1)NCc1cccs1 ZINC000025826030 539770348 /nfs/dbraw/zinc/77/03/48/539770348.db2.gz OMYZQBFFWBWVTD-UHFFFAOYSA-N 1 2 357.479 2.259 40 0 FEABLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2[C@@H]2CCCN2C=O)CC1 ZINC000072216449 541796072 /nfs/dbraw/zinc/79/60/72/541796072.db2.gz IMWHOHDKNARRFM-INIZCTEOSA-N 1 2 360.458 2.432 40 0 FEABLO CN(C)C(=O)C[N@@H+]1CCC[C@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000072378332 541803321 /nfs/dbraw/zinc/80/33/21/541803321.db2.gz GYQVLSQUHJIWCM-KRWDZBQOSA-N 1 2 360.433 2.395 40 0 FEABLO CN(C)C(=O)C[N@H+]1CCC[C@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000072378332 541803327 /nfs/dbraw/zinc/80/33/27/541803327.db2.gz GYQVLSQUHJIWCM-KRWDZBQOSA-N 1 2 360.433 2.395 40 0 FEABLO Cc1ccc(C[N@@H+]2CCc3nc(-c4cnn(C)c4)nc(N(C)C)c3C2)o1 ZINC000096254065 209144266 /nfs/dbraw/zinc/14/42/66/209144266.db2.gz WWHFBHFUVRWKRI-UHFFFAOYSA-N 1 2 352.442 2.403 40 0 FEABLO Cc1ccc(C[N@H+]2CCc3nc(-c4cnn(C)c4)nc(N(C)C)c3C2)o1 ZINC000096254065 209144275 /nfs/dbraw/zinc/14/42/75/209144275.db2.gz WWHFBHFUVRWKRI-UHFFFAOYSA-N 1 2 352.442 2.403 40 0 FEABLO Cc1ccc(CNC(=O)[C@H]2c3c([nH+]cn3C)CCN2Cc2cccnc2)o1 ZINC000096264952 209147396 /nfs/dbraw/zinc/14/73/96/209147396.db2.gz PJPDDNDGLBXFSH-LJQANCHMSA-N 1 2 365.437 2.132 40 0 FEABLO CCOC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2nn(C)c3ccccc32)C1 ZINC000096207174 209134321 /nfs/dbraw/zinc/13/43/21/209134321.db2.gz WYOBLNRPHPTLQZ-CQSZACIVSA-N 1 2 353.426 2.079 40 0 FEABLO Cn1cc(CN2CCc3[nH+]cn(C)c3[C@@H]2COCc2ccccc2)cn1 ZINC000096187728 209131827 /nfs/dbraw/zinc/13/18/27/209131827.db2.gz QVDAKGSVAIYHML-IBGZPJMESA-N 1 2 351.454 2.470 40 0 FEABLO Cn1cc(C[N@@H+]2CCc3ncn(C)c3[C@@H]2COCc2ccccc2)cn1 ZINC000096187728 209131831 /nfs/dbraw/zinc/13/18/31/209131831.db2.gz QVDAKGSVAIYHML-IBGZPJMESA-N 1 2 351.454 2.470 40 0 FEABLO Cn1cc(C[N@H+]2CCc3ncn(C)c3[C@@H]2COCc2ccccc2)cn1 ZINC000096187728 209131834 /nfs/dbraw/zinc/13/18/34/209131834.db2.gz QVDAKGSVAIYHML-IBGZPJMESA-N 1 2 351.454 2.470 40 0 FEABLO C[NH+]1CCN(C(=O)c2cc3c(s2)CCN3C(=O)c2ccc(F)cc2)CC1 ZINC000096146805 209122493 /nfs/dbraw/zinc/12/24/93/209122493.db2.gz MVFDNFFWYJXIQY-UHFFFAOYSA-N 1 2 373.453 2.478 40 0 FEABLO Cc1nc(CN2CCO[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)cs1 ZINC000096108139 209112913 /nfs/dbraw/zinc/11/29/13/209112913.db2.gz YSOSOXIOUQFBHX-DZGCQCFKSA-N 1 2 350.513 2.241 40 0 FEABLO Cc1nc(CN2CCO[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)cs1 ZINC000096108139 209112918 /nfs/dbraw/zinc/11/29/18/209112918.db2.gz YSOSOXIOUQFBHX-DZGCQCFKSA-N 1 2 350.513 2.241 40 0 FEABLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(Cc4nccs4)C[C@@H]3C2)cs1 ZINC000096108139 209112921 /nfs/dbraw/zinc/11/29/21/209112921.db2.gz YSOSOXIOUQFBHX-DZGCQCFKSA-N 1 2 350.513 2.241 40 0 FEABLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(Cc4nccs4)C[C@@H]3C2)cs1 ZINC000096108139 209112924 /nfs/dbraw/zinc/11/29/24/209112924.db2.gz YSOSOXIOUQFBHX-DZGCQCFKSA-N 1 2 350.513 2.241 40 0 FEABLO Cc1ccc(CN2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)s1 ZINC000096059600 209105260 /nfs/dbraw/zinc/10/52/60/209105260.db2.gz NXGXPACQMWWSQQ-UHFFFAOYSA-N 1 2 355.467 2.264 40 0 FEABLO Cn1c[nH+]c2c1[C@H](COCC1CCOCC1)CN(C(=O)c1ccco1)C2 ZINC000096044990 209101097 /nfs/dbraw/zinc/10/10/97/209101097.db2.gz OZXSNLNUFDAUSQ-HNNXBMFYSA-N 1 2 359.426 2.196 40 0 FEABLO Cc1ccccc1CC(=O)N(C)C[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257339577 132297704 /nfs/dbraw/zinc/29/77/04/132297704.db2.gz ZCJGDCVUSKWNJX-OAQYLSRUSA-N 1 2 353.466 2.422 40 0 FEABLO COc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4cnn(C)c4)C[C@H]3F)nc2c1 ZINC000096112278 542992288 /nfs/dbraw/zinc/99/22/88/542992288.db2.gz BOGLXTQMPNJJJX-PBHICJAKSA-N 1 2 359.405 2.044 40 0 biogenic,in-vitro FEABLO COc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@H]3F)nc2c1 ZINC000096112278 542992291 /nfs/dbraw/zinc/99/22/91/542992291.db2.gz BOGLXTQMPNJJJX-PBHICJAKSA-N 1 2 359.405 2.044 40 0 biogenic,in-vitro FEABLO O=C(NCC[C@@H]1CCOC12C[NH+](Cc1ccccc1F)C2)c1cnccn1 ZINC000247464445 549337462 /nfs/dbraw/zinc/33/74/62/549337462.db2.gz CCNMKZNHFLMTBG-MRXNPFEDSA-N 1 2 370.428 2.027 40 0 FEABLO CC(C)c1cc(C(=O)N(C)C[C@]2(O)CCCN(c3cccc[nH+]3)C2)on1 ZINC000257310870 535343643 /nfs/dbraw/zinc/34/36/43/535343643.db2.gz UGYZTEHGPGZPSX-LJQANCHMSA-N 1 2 358.442 2.297 40 0 FEABLO Cc1nc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)cc(=O)[nH]1 ZINC000257201906 549716748 /nfs/dbraw/zinc/71/67/48/549716748.db2.gz AJOZSZQKHSGANT-QGZVFWFLSA-N 1 2 351.410 2.454 40 0 FEABLO Cc1nc(Nc2cnccn2)cc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000257283411 549724056 /nfs/dbraw/zinc/72/40/56/549724056.db2.gz OYEZZTOKFLOIKA-AWEZNQCLSA-N 1 2 350.430 2.421 40 0 FEABLO Cc1nc(Nc2cnccn2)cc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000257283411 549724062 /nfs/dbraw/zinc/72/40/62/549724062.db2.gz OYEZZTOKFLOIKA-AWEZNQCLSA-N 1 2 350.430 2.421 40 0 FEABLO C[N@@H+]1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306127863 553748655 /nfs/dbraw/zinc/74/86/55/553748655.db2.gz GJJUWDFUSRZSDU-UHFFFAOYSA-N 1 2 367.409 2.208 40 0 FEABLO C[N@H+]1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306127863 553748657 /nfs/dbraw/zinc/74/86/57/553748657.db2.gz GJJUWDFUSRZSDU-UHFFFAOYSA-N 1 2 367.409 2.208 40 0 FEABLO O=C(Cc1ccco1)N1Cc2ccnn2C[C@@H](CNc2cccc[nH+]2)C1 ZINC000306129483 553749012 /nfs/dbraw/zinc/74/90/12/553749012.db2.gz IEPGWEUZFZNNOL-HNNXBMFYSA-N 1 2 351.410 2.184 40 0 FEABLO COc1cc(Nc2cc(-c3ccccc3)[nH+]c(NCCO)n2)cc(OC)c1 ZINC000329038597 553868782 /nfs/dbraw/zinc/86/87/82/553868782.db2.gz RSPIFKSDWZZCBK-UHFFFAOYSA-N 1 2 366.421 2.152 40 0 FEABLO C[C@H]1c2[nH+]cc(CCOCc3ccccn3)n2CCN1Cc1cn[nH]c1 ZINC000585097001 571221100 /nfs/dbraw/zinc/22/11/00/571221100.db2.gz DJYZKVSLLLWTGB-HNNXBMFYSA-N 1 2 352.442 2.337 40 0 FEABLO C[C@H]1c2ncc(CCOCc3ccccn3)n2CC[N@H+]1Cc1cn[nH]c1 ZINC000585097001 571221102 /nfs/dbraw/zinc/22/11/02/571221102.db2.gz DJYZKVSLLLWTGB-HNNXBMFYSA-N 1 2 352.442 2.337 40 0 FEABLO C[C@H]1c2ncc(CCOCc3ccccn3)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585097001 571221105 /nfs/dbraw/zinc/22/11/05/571221105.db2.gz DJYZKVSLLLWTGB-HNNXBMFYSA-N 1 2 352.442 2.337 40 0 FEABLO Cc1ccccc1C[N@H+]1Cc2ccnn2[C@H](CCNS(=O)(=O)C2CC2)C1 ZINC000585112393 571226140 /nfs/dbraw/zinc/22/61/40/571226140.db2.gz OVUYTFKOVVUOGP-GOSISDBHSA-N 1 2 374.510 2.220 40 0 FEABLO Cc1ccccc1C[N@@H+]1Cc2ccnn2[C@H](CCNS(=O)(=O)C2CC2)C1 ZINC000585112393 571226143 /nfs/dbraw/zinc/22/61/43/571226143.db2.gz OVUYTFKOVVUOGP-GOSISDBHSA-N 1 2 374.510 2.220 40 0 FEABLO CSc1ncc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000012121918 539544491 /nfs/dbraw/zinc/54/44/91/539544491.db2.gz WJRZRNMSOAEINR-UHFFFAOYSA-N 1 2 366.450 2.314 40 0 FEABLO CSc1ncc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000012121918 539544496 /nfs/dbraw/zinc/54/44/96/539544496.db2.gz WJRZRNMSOAEINR-UHFFFAOYSA-N 1 2 366.450 2.314 40 0 FEABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1ccc3nccnc3c1)C2 ZINC000012120710 539544952 /nfs/dbraw/zinc/54/49/52/539544952.db2.gz ADTSWMQXXRUIBD-UHFFFAOYSA-N 1 2 370.416 2.333 40 0 FEABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1ccc3nccnc3c1)C2 ZINC000012120710 539544955 /nfs/dbraw/zinc/54/49/55/539544955.db2.gz ADTSWMQXXRUIBD-UHFFFAOYSA-N 1 2 370.416 2.333 40 0 FEABLO COc1cc(CCC(=O)N2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)on1 ZINC000257330761 210000219 /nfs/dbraw/zinc/00/02/19/210000219.db2.gz XPUDHTNYKADVBZ-OAHLLOKOSA-N 1 2 358.442 2.483 40 0 FEABLO CCc1nc(N2CCN(CC(=O)N[C@H](C)c3ccccc3)CC2)cc(C)[nH+]1 ZINC000019523153 539658878 /nfs/dbraw/zinc/65/88/78/539658878.db2.gz NBKPHUHSUWCIQN-QGZVFWFLSA-N 1 2 367.497 2.347 40 0 FEABLO COc1cccc(C[N@@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)c1 ZINC000019565464 539661294 /nfs/dbraw/zinc/66/12/94/539661294.db2.gz PSQWSFZCLAYTDX-UHFFFAOYSA-N 1 2 354.454 2.327 40 0 FEABLO COc1cccc(C[N@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)c1 ZINC000019565464 539661298 /nfs/dbraw/zinc/66/12/98/539661298.db2.gz PSQWSFZCLAYTDX-UHFFFAOYSA-N 1 2 354.454 2.327 40 0 FEABLO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000019592516 539663001 /nfs/dbraw/zinc/66/30/01/539663001.db2.gz APQXFKDCXQUFHC-ROUUACIJSA-N 1 2 359.447 2.134 40 0 FEABLO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000019592516 539663005 /nfs/dbraw/zinc/66/30/05/539663005.db2.gz APQXFKDCXQUFHC-ROUUACIJSA-N 1 2 359.447 2.134 40 0 FEABLO O=C(C[NH+]1CCC(Oc2cnccn2)CC1)Nc1nc2c(s1)CCCC2 ZINC000019657914 539664355 /nfs/dbraw/zinc/66/43/55/539664355.db2.gz FIBRLZLGAUYFNB-UHFFFAOYSA-N 1 2 373.482 2.294 40 0 FEABLO CN(C)c1ncc(-c2c[nH+]cn2CCc2ccc3c(c2)OCCO3)cn1 ZINC000019719331 539668296 /nfs/dbraw/zinc/66/82/96/539668296.db2.gz PHTRMPZLTMNIMI-UHFFFAOYSA-N 1 2 351.410 2.420 40 0 FEABLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCn1nc(C(F)(F)F)cc1C1CC1 ZINC000026533225 539789248 /nfs/dbraw/zinc/78/92/48/539789248.db2.gz NRDXCSDBCDQARZ-GFCCVEGCSA-N 1 2 374.407 2.006 40 0 FEABLO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(N)[nH]nc2n1)C1CCCCC1 ZINC000072374504 541802846 /nfs/dbraw/zinc/80/28/46/541802846.db2.gz AKDSNPKQZRSXKD-INIZCTEOSA-N 1 2 356.474 2.468 40 0 FEABLO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(N)[nH]nc2n1)C1CCCCC1 ZINC000072374504 541802851 /nfs/dbraw/zinc/80/28/51/541802851.db2.gz AKDSNPKQZRSXKD-INIZCTEOSA-N 1 2 356.474 2.468 40 0 FEABLO Cc1ccc(C(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)cc1C ZINC000096259526 209146515 /nfs/dbraw/zinc/14/65/15/209146515.db2.gz HMETWYSCKNZVTM-UHFFFAOYSA-N 1 2 350.426 2.186 40 0 FEABLO O=C1CO[C@@]2(CN1c1ccoc1)COCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096240190 209142243 /nfs/dbraw/zinc/14/22/43/209142243.db2.gz FVYQZXMEGKNRGI-IBGZPJMESA-N 1 2 360.385 2.053 40 0 FEABLO O=C1CO[C@@]2(CN1c1ccoc1)COCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096240190 209142245 /nfs/dbraw/zinc/14/22/45/209142245.db2.gz FVYQZXMEGKNRGI-IBGZPJMESA-N 1 2 360.385 2.053 40 0 FEABLO O=C(Cc1ccccc1F)N1C[C@@H]2COC[C@]2(CNc2cccc[nH+]2)C1 ZINC000096209920 209135505 /nfs/dbraw/zinc/13/55/05/209135505.db2.gz YUVMLFBAKVVZDG-UZLBHIALSA-N 1 2 355.413 2.350 40 0 FEABLO Cc1ccc(C(=O)N2CCCn3nnc(C[NH+]4CCCCC4)c3C2)cn1 ZINC000096084733 209110204 /nfs/dbraw/zinc/11/02/04/209110204.db2.gz WZDRNUIHFUTNNX-UHFFFAOYSA-N 1 2 354.458 2.014 40 0 FEABLO CCC(C)(C)n1nnnc1C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000035314249 207131016 /nfs/dbraw/zinc/13/10/16/207131016.db2.gz NRMUGBXAUCLJTH-UHFFFAOYSA-N 1 2 356.474 2.213 40 0 FEABLO COCCOc1ccnc(-c2noc([C@@H]3CCCN3Cc3[nH]cc[nH+]3)n2)c1 ZINC000035425127 207155986 /nfs/dbraw/zinc/15/59/86/207155986.db2.gz ZNYSBCMKGDZSIT-HNNXBMFYSA-N 1 2 370.413 2.217 40 0 biogenic,in-vitro FEABLO Cc1ccc(C(=O)N2CCn3cc(C[N@@H+](C)Cc4cccnc4)nc3C2)o1 ZINC000096059555 209104213 /nfs/dbraw/zinc/10/42/13/209104213.db2.gz LBXSXJZJVPIYJT-UHFFFAOYSA-N 1 2 365.437 2.468 40 0 FEABLO Cc1ccc(C(=O)N2CCn3cc(C[N@H+](C)Cc4cccnc4)nc3C2)o1 ZINC000096059555 209104216 /nfs/dbraw/zinc/10/42/16/209104216.db2.gz LBXSXJZJVPIYJT-UHFFFAOYSA-N 1 2 365.437 2.468 40 0 FEABLO Cc1cccc(C(=O)N2CCC3(CC2)C[N@H+](Cc2cccnc2)CCO3)n1 ZINC000096048939 209101671 /nfs/dbraw/zinc/10/16/71/209101671.db2.gz NDPYOBGSBAHPDP-UHFFFAOYSA-N 1 2 366.465 2.292 40 0 FEABLO Cc1cccc(C(=O)N2CCC3(CC2)C[N@@H+](Cc2cccnc2)CCO3)n1 ZINC000096048939 209101674 /nfs/dbraw/zinc/10/16/74/209101674.db2.gz NDPYOBGSBAHPDP-UHFFFAOYSA-N 1 2 366.465 2.292 40 0 FEABLO CN(C(=O)c1cc2c([nH]c1=O)CCC2)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257283828 132296307 /nfs/dbraw/zinc/29/63/07/132296307.db2.gz OZZVTFZLHLMVOL-HNNXBMFYSA-N 1 2 352.438 2.412 40 0 FEABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3CC)C2=O)C1 ZINC000105331059 543171751 /nfs/dbraw/zinc/17/17/51/543171751.db2.gz FQQHFOVURRVTII-DOTOQJQBSA-N 1 2 358.438 2.156 40 0 FEABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccccc3CC)C2=O)C1 ZINC000105331059 543171752 /nfs/dbraw/zinc/17/17/52/543171752.db2.gz FQQHFOVURRVTII-DOTOQJQBSA-N 1 2 358.438 2.156 40 0 FEABLO O=S(=O)(NCC[C@H]1C[N@H+](CC2CC2)Cc2ccnn21)c1ccccc1 ZINC000247331644 549320589 /nfs/dbraw/zinc/32/05/89/549320589.db2.gz PAUULGIRGVHXLH-KRWDZBQOSA-N 1 2 360.483 2.018 40 0 FEABLO O=S(=O)(NCC[C@H]1C[N@@H+](CC2CC2)Cc2ccnn21)c1ccccc1 ZINC000247331644 549320594 /nfs/dbraw/zinc/32/05/94/549320594.db2.gz PAUULGIRGVHXLH-KRWDZBQOSA-N 1 2 360.483 2.018 40 0 FEABLO COc1cc(C[NH+]2CC3(C2)C[C@H](Oc2cnccn2)CCO3)cc(OC)c1 ZINC000247874379 549388339 /nfs/dbraw/zinc/38/83/39/549388339.db2.gz GFEALVKJPUDSGE-MRXNPFEDSA-N 1 2 371.437 2.306 40 0 FEABLO COc1ccccc1C[NH+]1CC2(C1)C[C@@H](OCC(=O)N1CCCC1)CCO2 ZINC000248122454 549408254 /nfs/dbraw/zinc/40/82/54/549408254.db2.gz FVVZCRHUBJUVNG-SFHVURJKSA-N 1 2 374.481 2.068 40 0 FEABLO CN(C)c1cc(N2CC3(C2)C[C@H](OCc2cccnc2)CS3)nc[nH+]1 ZINC000248148803 549411609 /nfs/dbraw/zinc/41/16/09/549411609.db2.gz WQMRUPKUKPVACZ-HNNXBMFYSA-N 1 2 357.483 2.219 40 0 FEABLO CN(C)c1cc(N2CC3(C2)C[C@H](OCc2cccnc2)CS3)[nH+]cn1 ZINC000248148803 549411613 /nfs/dbraw/zinc/41/16/13/549411613.db2.gz WQMRUPKUKPVACZ-HNNXBMFYSA-N 1 2 357.483 2.219 40 0 FEABLO c1cncc(OC[C@@H]2CCOC23C[NH+](Cc2ccc4c(c2)OCO4)C3)c1 ZINC000248343114 549420822 /nfs/dbraw/zinc/42/08/22/549420822.db2.gz ZPBXSDVQDXXUPN-INIZCTEOSA-N 1 2 354.406 2.480 40 0 FEABLO CCS(=O)(=O)NCC[C@H]1C[N@H+](Cc2sccc2C)Cc2ccnn21 ZINC000253599907 549697674 /nfs/dbraw/zinc/69/76/74/549697674.db2.gz WYJMVNADNYRJEJ-HNNXBMFYSA-N 1 2 368.528 2.139 40 0 FEABLO CCS(=O)(=O)NCC[C@H]1C[N@@H+](Cc2sccc2C)Cc2ccnn21 ZINC000253599907 549697676 /nfs/dbraw/zinc/69/76/76/549697676.db2.gz WYJMVNADNYRJEJ-HNNXBMFYSA-N 1 2 368.528 2.139 40 0 FEABLO Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CNc3cccc[nH+]3)C2)nc1 ZINC000253603592 549698151 /nfs/dbraw/zinc/69/81/51/549698151.db2.gz ZNZAVZJEYMOXGX-INIZCTEOSA-N 1 2 362.437 2.366 40 0 FEABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1CC(=O)N1CCCCC1 ZINC000257209052 549717642 /nfs/dbraw/zinc/71/76/42/549717642.db2.gz BOTWZPFOJMWHJJ-KRWDZBQOSA-N 1 2 354.454 2.461 40 0 FEABLO Cn1cc(C[N@@H+]2CCC[C@H](Cc3cc(Nc4nncs4)ncn3)C2)cn1 ZINC000257238497 549721245 /nfs/dbraw/zinc/72/12/45/549721245.db2.gz HLFWLVRVKUENGT-CYBMUJFWSA-N 1 2 370.486 2.260 40 0 FEABLO Cn1cc(C[N@H+]2CCC[C@H](Cc3cc(Nc4nncs4)ncn3)C2)cn1 ZINC000257238497 549721249 /nfs/dbraw/zinc/72/12/49/549721249.db2.gz HLFWLVRVKUENGT-CYBMUJFWSA-N 1 2 370.486 2.260 40 0 FEABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccco1 ZINC000261366133 549730564 /nfs/dbraw/zinc/73/05/64/549730564.db2.gz XNYMKAOTIAPHHS-MRXNPFEDSA-O 1 2 355.399 2.365 40 0 FEABLO Cc1ncsc1C[NH+]1CC2(C1)CC[C@H](CNC(=O)N1CCCC1)CO2 ZINC000306124536 553748275 /nfs/dbraw/zinc/74/82/75/553748275.db2.gz BTDDQGLAUVGZMX-OAHLLOKOSA-N 1 2 364.515 2.238 40 0 FEABLO O=C([C@H]1CN(CCOCc2ccccc2)Cc2c[nH+]cn21)N1CCCCO1 ZINC000306140761 553750333 /nfs/dbraw/zinc/75/03/33/553750333.db2.gz VDIGYBRQLBYZEJ-LJQANCHMSA-N 1 2 370.453 2.011 40 0 FEABLO Cn1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2ccccc21 ZINC000408713171 558688852 /nfs/dbraw/zinc/68/88/52/558688852.db2.gz MUSLXMXXKHCFLQ-UHFFFAOYSA-N 1 2 361.445 2.497 40 0 FEABLO CS(=O)(=O)CC[C@@H]([NH3+])c1nc([C@H](C2CCCC2)n2cccc2)no1 ZINC000409442314 558691092 /nfs/dbraw/zinc/69/10/92/558691092.db2.gz UQLRYFBQHOTXSW-KGLIPLIRSA-N 1 2 352.460 2.085 40 0 FEABLO CO[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CC[C@@H]1Cc1ccc(C)cc1 ZINC000585291947 570496457 /nfs/dbraw/zinc/49/64/57/570496457.db2.gz UBCVUJJIPYDFAY-ZAOFJCOUSA-N 1 2 372.509 2.289 40 0 FEABLO C[C@H]1c2[nH+]cc(CCOc3cccnc3)n2CCN1Cc1cnn(C)c1 ZINC000585098005 571220716 /nfs/dbraw/zinc/22/07/16/571220716.db2.gz QIAXHVRJHRXDPM-HNNXBMFYSA-N 1 2 352.442 2.210 40 0 FEABLO Cc1cncc(C[N@@H+]2Cc3ccnn3CC[C@H]2COc2ccccn2)n1 ZINC000585096775 571221109 /nfs/dbraw/zinc/22/11/09/571221109.db2.gz CQDAFTLZROKGPO-SFHVURJKSA-N 1 2 350.426 2.230 40 0 FEABLO Cc1cncc(C[N@H+]2Cc3ccnn3CC[C@H]2COc2ccccn2)n1 ZINC000585096775 571221112 /nfs/dbraw/zinc/22/11/12/571221112.db2.gz CQDAFTLZROKGPO-SFHVURJKSA-N 1 2 350.426 2.230 40 0 FEABLO COc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)NCC3CCC3)C2)cc1 ZINC000585110757 571226718 /nfs/dbraw/zinc/22/67/18/571226718.db2.gz AHOPUTOGYIVELI-SFHVURJKSA-N 1 2 368.481 2.444 40 0 FEABLO COc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)NCC3CCC3)C2)cc1 ZINC000585110757 571226721 /nfs/dbraw/zinc/22/67/21/571226721.db2.gz AHOPUTOGYIVELI-SFHVURJKSA-N 1 2 368.481 2.444 40 0 FEABLO CN(c1ccc(F)cc1)[C@@H]1COC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC000257270214 530035062 /nfs/dbraw/zinc/03/50/62/530035062.db2.gz MTEVMXAXBOZNMJ-SFHVURJKSA-N 1 2 372.444 2.309 40 0 FEABLO OCCCNc1nc(NCc2ccc(Cl)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329072260 210135905 /nfs/dbraw/zinc/13/59/05/210135905.db2.gz ZWQDQEMDCSKXCS-UHFFFAOYSA-N 1 2 369.856 2.442 40 0 FEABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1ccc2c(c1)CCC2 ZINC000012114511 539543760 /nfs/dbraw/zinc/54/37/60/539543760.db2.gz NMDAIDPMEVWPII-UHFFFAOYSA-N 1 2 351.450 2.492 40 0 FEABLO COc1ccc([C@H](NC(=O)c2ccccn2)c2[nH+]ccn2C)cc1OC ZINC000012114944 539544184 /nfs/dbraw/zinc/54/41/84/539544184.db2.gz VBCOARAGIGPNRJ-KRWDZBQOSA-N 1 2 352.394 2.352 40 0 FEABLO Cc1cnc(C(=O)N[C@@H]2CCCC[C@@]23C[N@H+](Cc2ccco2)CCO3)cn1 ZINC000306141466 210058060 /nfs/dbraw/zinc/05/80/60/210058060.db2.gz VWXMRALJQUVWAV-UYAOXDASSA-N 1 2 370.453 2.322 40 0 FEABLO Cc1cnc(C(=O)N[C@@H]2CCCC[C@@]23C[N@@H+](Cc2ccco2)CCO3)cn1 ZINC000306141466 210058063 /nfs/dbraw/zinc/05/80/63/210058063.db2.gz VWXMRALJQUVWAV-UYAOXDASSA-N 1 2 370.453 2.322 40 0 FEABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@H]2CCNC(=O)N1CCCC1 ZINC000306132887 210054366 /nfs/dbraw/zinc/05/43/66/210054366.db2.gz LVHRHPHZUGSRIC-OAHLLOKOSA-N 1 2 364.515 2.238 40 0 FEABLO C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)C3CC3)CC2)C1 ZINC000306133979 210054193 /nfs/dbraw/zinc/05/41/93/210054193.db2.gz NAVVLHKCTMZQKC-UHFFFAOYSA-N 1 2 369.444 2.257 40 0 FEABLO C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)C3CC3)CC2)C1 ZINC000306133979 210054198 /nfs/dbraw/zinc/05/41/98/210054198.db2.gz NAVVLHKCTMZQKC-UHFFFAOYSA-N 1 2 369.444 2.257 40 0 FEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)[nH+]1 ZINC000257253787 223039205 /nfs/dbraw/zinc/03/92/05/223039205.db2.gz KAHRZFPMCVAOTI-MRXNPFEDSA-N 1 2 350.426 2.329 40 0 FEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)Cn3ccc(C(F)(F)F)n3)C2)[nH+]1 ZINC000257310286 223060493 /nfs/dbraw/zinc/06/04/93/223060493.db2.gz UEMPNGINVBUBSL-LBPRGKRZSA-N 1 2 355.364 2.350 40 0 FEABLO Cn1nccc1C[N@@H+]1CCC[C@H]1c1cccc(C(=O)Nc2cnccn2)n1 ZINC000257324632 223065584 /nfs/dbraw/zinc/06/55/84/223065584.db2.gz WPOHVXQXUIEXQN-KRWDZBQOSA-N 1 2 363.425 2.195 40 0 FEABLO Cn1nccc1C[N@H+]1CCC[C@H]1c1cccc(C(=O)Nc2cnccn2)n1 ZINC000257324632 223065586 /nfs/dbraw/zinc/06/55/86/223065586.db2.gz WPOHVXQXUIEXQN-KRWDZBQOSA-N 1 2 363.425 2.195 40 0 FEABLO COC(=O)C[N@@H+]1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn32)C1 ZINC000072342831 541800103 /nfs/dbraw/zinc/80/01/03/541800103.db2.gz JXDICQLJZUSOCX-AWEZNQCLSA-N 1 2 369.425 2.354 40 0 FEABLO COC(=O)C[N@H+]1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn32)C1 ZINC000072342831 541800106 /nfs/dbraw/zinc/80/01/06/541800106.db2.gz JXDICQLJZUSOCX-AWEZNQCLSA-N 1 2 369.425 2.354 40 0 FEABLO CC(=O)NCC(=O)N1CCC[C@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000072353349 541800980 /nfs/dbraw/zinc/80/09/80/541800980.db2.gz ICNVMVVCCSDYAG-INIZCTEOSA-N 1 2 367.453 2.371 40 0 FEABLO CCn1cc(C(=O)NCCCn2cc[nH+]c2)c(=O)c2cc(OC)ccc21 ZINC000022236014 211342846 /nfs/dbraw/zinc/34/28/46/211342846.db2.gz CDOOQSHADAAXPQ-UHFFFAOYSA-N 1 2 354.410 2.047 40 0 FEABLO Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCC4)nc(N)c32)cc1 ZINC000019819969 211257744 /nfs/dbraw/zinc/25/77/44/211257744.db2.gz SJKHXYALHQTFSU-ZDUSSCGKSA-N 1 2 366.425 2.032 40 0 FEABLO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CN(Cc1[nH+]ccn1C)CC3 ZINC000019583236 211237171 /nfs/dbraw/zinc/23/71/71/211237171.db2.gz XCKVLGJXNSSDKF-UHFFFAOYSA-N 1 2 364.409 2.295 40 0 FEABLO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)C[N@H+](Cc1nccn1C)CC3 ZINC000019583236 211237178 /nfs/dbraw/zinc/23/71/78/211237178.db2.gz XCKVLGJXNSSDKF-UHFFFAOYSA-N 1 2 364.409 2.295 40 0 FEABLO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)C[N@@H+](Cc1nccn1C)CC3 ZINC000019583236 211237180 /nfs/dbraw/zinc/23/71/80/211237180.db2.gz XCKVLGJXNSSDKF-UHFFFAOYSA-N 1 2 364.409 2.295 40 0 FEABLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1 ZINC000019717182 211249555 /nfs/dbraw/zinc/24/95/55/211249555.db2.gz ZSRCRXGELUIJPE-CYBMUJFWSA-N 1 2 362.861 2.191 40 0 FEABLO COc1cccc(OC[C@H]2CCC[N@H+](CC(=O)Nc3ccn(C)n3)C2)c1 ZINC000019658894 211243436 /nfs/dbraw/zinc/24/34/36/211243436.db2.gz HOSGIAHWDWMWRC-HNNXBMFYSA-N 1 2 358.442 2.158 40 0 FEABLO COc1cccc(OC[C@H]2CCC[N@@H+](CC(=O)Nc3ccn(C)n3)C2)c1 ZINC000019658894 211243441 /nfs/dbraw/zinc/24/34/41/211243441.db2.gz HOSGIAHWDWMWRC-HNNXBMFYSA-N 1 2 358.442 2.158 40 0 FEABLO Cc1cnc(-c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2F)C3)cn1 ZINC000019239063 211208172 /nfs/dbraw/zinc/20/81/72/211208172.db2.gz GCNRSBMKIQUNEJ-UHFFFAOYSA-N 1 2 351.385 2.233 40 0 FEABLO Cc1cnc(-c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2F)C3)cn1 ZINC000019239063 211208176 /nfs/dbraw/zinc/20/81/76/211208176.db2.gz GCNRSBMKIQUNEJ-UHFFFAOYSA-N 1 2 351.385 2.233 40 0 FEABLO Cc1ccc(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)cc1C ZINC000044241738 136121629 /nfs/dbraw/zinc/12/16/29/136121629.db2.gz XVQNNAXEDHSFOQ-UHFFFAOYSA-N 1 2 370.526 2.202 40 0 FEABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccs2)C3)C[C@@H](C)O1 ZINC000072335450 136144430 /nfs/dbraw/zinc/14/44/30/136144430.db2.gz MSYXQYXYEJABPD-CHWSQXEVSA-N 1 2 360.483 2.416 40 0 FEABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccs2)C3)C[C@@H](C)O1 ZINC000072335450 136144431 /nfs/dbraw/zinc/14/44/31/136144431.db2.gz MSYXQYXYEJABPD-CHWSQXEVSA-N 1 2 360.483 2.416 40 0 FEABLO Cc1cccc(COC[C@@H]2C[C@H]3OCC[N@@H+](Cc4cnn(C)c4)[C@H]3C2)n1 ZINC000096055539 222004253 /nfs/dbraw/zinc/00/42/53/222004253.db2.gz LJYIVGUFZUYVMG-FFZOFVMBSA-N 1 2 356.470 2.320 40 0 FEABLO Cc1cccc(COC[C@@H]2C[C@H]3OCC[N@H+](Cc4cnn(C)c4)[C@H]3C2)n1 ZINC000096055539 222004256 /nfs/dbraw/zinc/00/42/56/222004256.db2.gz LJYIVGUFZUYVMG-FFZOFVMBSA-N 1 2 356.470 2.320 40 0 FEABLO Cn1c[nH+]c2c1[C@H](COCc1cccnc1)N(C(=O)c1ccco1)CC2 ZINC000096187726 222070975 /nfs/dbraw/zinc/07/09/75/222070975.db2.gz AMFTZGHRVSZVSN-INIZCTEOSA-N 1 2 352.394 2.365 40 0 FEABLO COCCNC(=O)Cc1cn2c(n1)[C@H](C)[N@@H+](Cc1sccc1C)CC2 ZINC000253599770 549697426 /nfs/dbraw/zinc/69/74/26/549697426.db2.gz UHTJNGYSJXFNTR-AWEZNQCLSA-N 1 2 362.499 2.135 40 0 FEABLO COCCNC(=O)Cc1cn2c(n1)[C@H](C)[N@H+](Cc1sccc1C)CC2 ZINC000253599770 549697429 /nfs/dbraw/zinc/69/74/29/549697429.db2.gz UHTJNGYSJXFNTR-AWEZNQCLSA-N 1 2 362.499 2.135 40 0 FEABLO CO[C@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CC[C@@H]1Cc1cccc(C)c1 ZINC000585290920 570496325 /nfs/dbraw/zinc/49/63/25/570496325.db2.gz ITYPFHKSWYMCCE-YIEYKEOMSA-N 1 2 372.509 2.289 40 0 FEABLO Cc1nc(Nc2ccc(N3CCCCC3)[nH+]c2)sc1S(N)(=O)=O ZINC000549198578 570877979 /nfs/dbraw/zinc/87/79/79/570877979.db2.gz PCVKHNIZFBSMIJ-UHFFFAOYSA-N 1 2 353.473 2.228 40 0 FEABLO Cc1ccc(CN2Cc3[nH+]cn(C)c3C[C@H]2COc2cncc(C)n2)o1 ZINC000585095001 571219702 /nfs/dbraw/zinc/21/97/02/571219702.db2.gz YWNAVWWZATVJDY-HNNXBMFYSA-N 1 2 353.426 2.426 40 0 FEABLO Cc1ccccc1C[N@H+]1Cc2ccnn2[C@@H](CCNS(=O)(=O)C2CC2)C1 ZINC000585112394 571226014 /nfs/dbraw/zinc/22/60/14/571226014.db2.gz OVUYTFKOVVUOGP-SFHVURJKSA-N 1 2 374.510 2.220 40 0 FEABLO Cc1ccccc1C[N@@H+]1Cc2ccnn2[C@@H](CCNS(=O)(=O)C2CC2)C1 ZINC000585112394 571226015 /nfs/dbraw/zinc/22/60/15/571226015.db2.gz OVUYTFKOVVUOGP-SFHVURJKSA-N 1 2 374.510 2.220 40 0 FEABLO COc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)cc1 ZINC000585112642 571226343 /nfs/dbraw/zinc/22/63/43/571226343.db2.gz URFQXVSOIRGAGL-SFHVURJKSA-N 1 2 354.454 2.461 40 0 FEABLO COc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)cc1 ZINC000585112642 571226345 /nfs/dbraw/zinc/22/63/45/571226345.db2.gz URFQXVSOIRGAGL-SFHVURJKSA-N 1 2 354.454 2.461 40 0 FEABLO COCC(=O)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306130727 210051812 /nfs/dbraw/zinc/05/18/12/210051812.db2.gz JOBPMBLIZMXPLH-LJQANCHMSA-N 1 2 362.433 2.447 40 0 FEABLO Cc1cc(CC[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)ncn1 ZINC000257314080 223063218 /nfs/dbraw/zinc/06/32/18/223063218.db2.gz UVEVUKLOKAQONI-SFHVURJKSA-N 1 2 355.438 2.390 40 0 FEABLO Cc1cc(CC[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)ncn1 ZINC000257314080 223063220 /nfs/dbraw/zinc/06/32/20/223063220.db2.gz UVEVUKLOKAQONI-SFHVURJKSA-N 1 2 355.438 2.390 40 0 FEABLO O=C(C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000257314434 223063442 /nfs/dbraw/zinc/06/34/42/223063442.db2.gz UWYAPSGBXHTIAG-HOCLYGCPSA-N 1 2 358.360 2.260 40 0 FEABLO O=C(C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000257314434 223063444 /nfs/dbraw/zinc/06/34/44/223063444.db2.gz UWYAPSGBXHTIAG-HOCLYGCPSA-N 1 2 358.360 2.260 40 0 FEABLO Cn1cc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccco4)ccc2S3(=O)=O)cn1 ZINC000306136759 223111862 /nfs/dbraw/zinc/11/18/62/223111862.db2.gz QCQUZRFUENXIRT-APWZRJJASA-N 1 2 369.446 2.435 40 0 FEABLO Cn1cc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccco4)ccc2S3(=O)=O)cn1 ZINC000306136759 223111865 /nfs/dbraw/zinc/11/18/65/223111865.db2.gz QCQUZRFUENXIRT-APWZRJJASA-N 1 2 369.446 2.435 40 0 FEABLO COc1ccc(-c2nc(C(=O)N[C@H](C)C[NH+]3CCOCC3)cs2)cc1 ZINC000019717301 211248933 /nfs/dbraw/zinc/24/89/33/211248933.db2.gz VAKPQNXPEURPTJ-CYBMUJFWSA-N 1 2 361.467 2.269 40 0 FEABLO Cc1nc(N2CCCC2)sc1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000019716612 211248972 /nfs/dbraw/zinc/24/89/72/211248972.db2.gz WKRWAHDSFQVRJM-HNNXBMFYSA-N 1 2 366.531 2.138 40 0 FEABLO CNc1nc([C@H]2CCCN(C(=O)C3CCCC3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019711433 211247991 /nfs/dbraw/zinc/24/79/91/211247991.db2.gz MKTXHJRXOVBSPH-HNNXBMFYSA-N 1 2 357.502 2.402 40 0 FEABLO CNc1nc([C@H]2CCCN(C(=O)C3CCCC3)C2)nc2c1C[N@H+](C)CC2 ZINC000019711433 211247989 /nfs/dbraw/zinc/24/79/89/211247989.db2.gz MKTXHJRXOVBSPH-HNNXBMFYSA-N 1 2 357.502 2.402 40 0 FEABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cc2c([nH]c1=O)CCCC2 ZINC000131161288 132250957 /nfs/dbraw/zinc/25/09/57/132250957.db2.gz JTIINPZWCFXGKI-OAHLLOKOSA-N 1 2 352.438 2.048 40 0 FEABLO Cn1c[nH+]c2c1[C@H](COCC1CCCC1)CN(C(=O)c1ccncn1)C2 ZINC000096044960 542989455 /nfs/dbraw/zinc/98/94/55/542989455.db2.gz DWDNLGJQWLBSJZ-HNNXBMFYSA-N 1 2 355.442 2.157 40 0 FEABLO Cc1ccccc1NC(=O)N1Cc2c[nH+]cn2C[C@H](C(=O)NCC2CC2)C1 ZINC000096260689 222103563 /nfs/dbraw/zinc/10/35/63/222103563.db2.gz OAOZVAYBYMXBFL-MRXNPFEDSA-N 1 2 367.453 2.382 40 0 FEABLO Cc1ncccc1NC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096226119 222088834 /nfs/dbraw/zinc/08/88/34/222088834.db2.gz JBROQOXRWQAPOZ-IBGZPJMESA-N 1 2 351.410 2.145 40 0 FEABLO Cc1ncccc1NC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096226119 222088837 /nfs/dbraw/zinc/08/88/37/222088837.db2.gz JBROQOXRWQAPOZ-IBGZPJMESA-N 1 2 351.410 2.145 40 0 FEABLO Cc1cc(=O)n2[nH]c(C3CCN(C(=O)C[C@@H](C)n4cc[nH+]c4)CC3)cc2n1 ZINC000100137495 222236239 /nfs/dbraw/zinc/23/62/39/222236239.db2.gz BFWDEFLRHLDYRX-CQSZACIVSA-N 1 2 368.441 2.297 40 0 FEABLO COc1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000008480940 263355098 /nfs/dbraw/zinc/35/50/98/263355098.db2.gz WTDKOIPSQPPAKY-UHFFFAOYSA-N 1 2 364.442 2.341 40 0 FEABLO O=C(NCC[C@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21)c1cnccn1 ZINC000306137331 534434248 /nfs/dbraw/zinc/43/42/48/534434248.db2.gz QTGUJAZWHIACIJ-KRWDZBQOSA-N 1 2 362.437 2.050 40 0 FEABLO O=C(NCC[C@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21)c1cnccn1 ZINC000306137331 534434253 /nfs/dbraw/zinc/43/42/53/534434253.db2.gz QTGUJAZWHIACIJ-KRWDZBQOSA-N 1 2 362.437 2.050 40 0 FEABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1CC[NH+]1CCOCC1 ZINC000223125063 548715638 /nfs/dbraw/zinc/71/56/38/548715638.db2.gz BRYSDDHTHPJCEF-IRXDYDNUSA-N 1 2 374.535 2.448 40 0 FEABLO Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)o1 ZINC000223124679 548715895 /nfs/dbraw/zinc/71/58/95/548715895.db2.gz FPZYWZWHVMIAGE-QZTJIDSGSA-N 1 2 372.494 2.288 40 0 FEABLO Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)[nH]1 ZINC000223163437 548716911 /nfs/dbraw/zinc/71/69/11/548716911.db2.gz HYLRDCCUTCLVBQ-QZTJIDSGSA-N 1 2 371.510 2.023 40 0 FEABLO Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)[nH]1 ZINC000223163550 548717537 /nfs/dbraw/zinc/71/75/37/548717537.db2.gz HYLRDCCUTCLVBQ-ZWKOTPCHSA-N 1 2 371.510 2.023 40 0 FEABLO O=C(COC1CCCC1)N1Cc2ccnn2C[C@@H](CNc2cccc[nH+]2)C1 ZINC000247739270 549376285 /nfs/dbraw/zinc/37/62/85/549376285.db2.gz MVAOGFLZBCTXTF-INIZCTEOSA-N 1 2 369.469 2.308 40 0 FEABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](C(=O)NCc3cccnc3)C2)no1 ZINC000247896217 549390698 /nfs/dbraw/zinc/39/06/98/549390698.db2.gz HFNBKNURJMDEJC-KRWDZBQOSA-N 1 2 365.437 2.128 40 0 FEABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](C(=O)NCc3cccnc3)C2)no1 ZINC000247896217 549390701 /nfs/dbraw/zinc/39/07/01/549390701.db2.gz HFNBKNURJMDEJC-KRWDZBQOSA-N 1 2 365.437 2.128 40 0 FEABLO Cn1cccc1C(=O)N1Cc2ccnn2C[C@H](CNc2cccc[nH+]2)C1 ZINC000248103064 549407120 /nfs/dbraw/zinc/40/71/20/549407120.db2.gz FGTSLNAPYZRSSR-OAHLLOKOSA-N 1 2 350.426 2.001 40 0 FEABLO Cc1ncsc1C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccn1C)CO2 ZINC000248128511 549408958 /nfs/dbraw/zinc/40/89/58/549408958.db2.gz MMACAZGKZXIMAP-HNNXBMFYSA-N 1 2 374.510 2.201 40 0 FEABLO Cc1cccc(C[N@H+]2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C2)n1 ZINC000257308821 549726377 /nfs/dbraw/zinc/72/63/77/549726377.db2.gz TYGODDVGZVKNGB-GJZGRUSLSA-N 1 2 369.469 2.058 40 0 FEABLO Cc1cccc(C[N@@H+]2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C2)n1 ZINC000257308821 549726383 /nfs/dbraw/zinc/72/63/83/549726383.db2.gz TYGODDVGZVKNGB-GJZGRUSLSA-N 1 2 369.469 2.058 40 0 FEABLO COCCc1c[nH+]c2n1CCN(C(=O)COc1ccccc1OC)[C@@H]2C ZINC000585097306 571220343 /nfs/dbraw/zinc/22/03/43/571220343.db2.gz IIHFXADPLKFPFJ-CQSZACIVSA-N 1 2 359.426 2.063 40 0 FEABLO C[C@@H]1c2[nH+]cc(CCOc3cccnc3)n2CCN1Cc1cnn(C)c1 ZINC000585098006 571220765 /nfs/dbraw/zinc/22/07/65/571220765.db2.gz QIAXHVRJHRXDPM-OAHLLOKOSA-N 1 2 352.442 2.210 40 0 FEABLO CCS(=O)(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C)s2)Cc2ccnn21 ZINC000585112362 571226011 /nfs/dbraw/zinc/22/60/11/571226011.db2.gz NZXAUQBJICTBBC-OAHLLOKOSA-N 1 2 368.528 2.139 40 0 FEABLO CCS(=O)(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C)s2)Cc2ccnn21 ZINC000585112362 571226012 /nfs/dbraw/zinc/22/60/12/571226012.db2.gz NZXAUQBJICTBBC-OAHLLOKOSA-N 1 2 368.528 2.139 40 0 FEABLO C[N@H+](CC(=O)N1CCC[C@]2(C)NC(=O)CCC[C@H]12)Cc1ccccc1F ZINC000257243801 529827735 /nfs/dbraw/zinc/82/77/35/529827735.db2.gz IIPGJULEWPLFMF-PXNSSMCTSA-N 1 2 361.461 2.307 40 0 FEABLO C[N@@H+](CC(=O)N1CCC[C@]2(C)NC(=O)CCC[C@H]12)Cc1ccccc1F ZINC000257243801 529827736 /nfs/dbraw/zinc/82/77/36/529827736.db2.gz IIPGJULEWPLFMF-PXNSSMCTSA-N 1 2 361.461 2.307 40 0 FEABLO COc1ccc([C@@H](NC(=O)[C@@]2(C)CCCO2)c2[nH+]ccn2C)cc1OC ZINC000012147206 539547090 /nfs/dbraw/zinc/54/70/90/539547090.db2.gz WZNNEEYECHUGEG-VQIMIIECSA-N 1 2 359.426 2.212 40 0 FEABLO CN(C)c1nc(N2CCC[C@@H](O)C2)c2c([nH+]1)CN(Cc1ccccc1)CC2 ZINC000012142747 539546173 /nfs/dbraw/zinc/54/61/73/539546173.db2.gz KJKVZDKEJNPUBR-QGZVFWFLSA-N 1 2 367.497 2.062 40 0 FEABLO O=C(Cc1ccccc1F)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306124688 210049857 /nfs/dbraw/zinc/04/98/57/210049857.db2.gz BWOSMAUZJXTKSQ-LZLYRXPVSA-N 1 2 355.413 2.349 40 0 FEABLO Cn1cc(C[N@@H+]2CCC[C@@H](Cc3cc(Nc4nncs4)ncn3)C2)cn1 ZINC000257238498 223033620 /nfs/dbraw/zinc/03/36/20/223033620.db2.gz HLFWLVRVKUENGT-ZDUSSCGKSA-N 1 2 370.486 2.260 40 0 FEABLO Cn1cc(C[N@H+]2CCC[C@@H](Cc3cc(Nc4nncs4)ncn3)C2)cn1 ZINC000257238498 223033621 /nfs/dbraw/zinc/03/36/21/223033621.db2.gz HLFWLVRVKUENGT-ZDUSSCGKSA-N 1 2 370.486 2.260 40 0 FEABLO Cn1c[nH+]cc1CN1CCC[C@@H]1c1cccc(C(=O)Nc2cnccn2)n1 ZINC000257273353 223046123 /nfs/dbraw/zinc/04/61/23/223046123.db2.gz NGENTEKJRDMXTJ-QGZVFWFLSA-N 1 2 363.425 2.195 40 0 FEABLO Cc1noc(C)c1-c1nccc([C@@H]2CCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC000257283583 223050089 /nfs/dbraw/zinc/05/00/89/223050089.db2.gz OYXHIFGJSOASDL-HNNXBMFYSA-N 1 2 352.398 2.309 40 0 FEABLO CCn1cc(C[N@H+]2Cc3ccnn3C[C@H](OCc3ccncc3)C2)cn1 ZINC000306136959 223112240 /nfs/dbraw/zinc/11/22/40/223112240.db2.gz QHKXQUCQWPEIFD-LJQANCHMSA-N 1 2 352.442 2.096 40 0 FEABLO CCn1cc(C[N@@H+]2Cc3ccnn3C[C@H](OCc3ccncc3)C2)cn1 ZINC000306136959 223112243 /nfs/dbraw/zinc/11/22/43/223112243.db2.gz QHKXQUCQWPEIFD-LJQANCHMSA-N 1 2 352.442 2.096 40 0 FEABLO COC(=O)C[N@@H+]1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn32)C1 ZINC000072342830 541800649 /nfs/dbraw/zinc/80/06/49/541800649.db2.gz JXDICQLJZUSOCX-CQSZACIVSA-N 1 2 369.425 2.354 40 0 FEABLO COC(=O)C[N@H+]1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn32)C1 ZINC000072342830 541800650 /nfs/dbraw/zinc/80/06/50/541800650.db2.gz JXDICQLJZUSOCX-CQSZACIVSA-N 1 2 369.425 2.354 40 0 FEABLO Nc1cc(-c2cncnc2[C@H]2CN(C(=O)c3ccccc3)CCO2)cc[nH+]1 ZINC000072370836 541801952 /nfs/dbraw/zinc/80/19/52/541801952.db2.gz QNAZWXSAYCUBLT-QGZVFWFLSA-N 1 2 361.405 2.335 40 0 FEABLO CNc1cc([C@H]2CCCN2C(=O)C[N@H+](C)Cc2cccnc2)nc(C)n1 ZINC000257304634 533054297 /nfs/dbraw/zinc/05/42/97/533054297.db2.gz SMLRNMVQEZMFOE-QGZVFWFLSA-N 1 2 354.458 2.017 40 0 FEABLO CNc1cc([C@H]2CCCN2C(=O)C[N@@H+](C)Cc2cccnc2)nc(C)n1 ZINC000257304634 533054306 /nfs/dbraw/zinc/05/43/06/533054306.db2.gz SMLRNMVQEZMFOE-QGZVFWFLSA-N 1 2 354.458 2.017 40 0 FEABLO CNc1cc([C@H]2CCCN2C(=O)Cn2c3ccccc3oc2=O)cc[nH+]1 ZINC000257306777 533055755 /nfs/dbraw/zinc/05/57/55/533055755.db2.gz SVVDJUYMLSIWAK-CQSZACIVSA-N 1 2 352.394 2.395 40 0 FEABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000257320542 533466099 /nfs/dbraw/zinc/46/60/99/533466099.db2.gz VXGPSGZSRZHLBW-ZDUSSCGKSA-N 1 2 351.447 2.407 40 0 FEABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000257320542 533466104 /nfs/dbraw/zinc/46/61/04/533466104.db2.gz VXGPSGZSRZHLBW-ZDUSSCGKSA-N 1 2 351.447 2.407 40 0 FEABLO Cc1nc(C[N@@H+]2CCOC[C@]3(CCCN(c4cnccn4)C3)C2)cs1 ZINC000096229284 132222798 /nfs/dbraw/zinc/22/27/98/132222798.db2.gz BUAZPQSEKSGXAY-GOSISDBHSA-N 1 2 359.499 2.361 40 0 FEABLO Cc1nc(C[N@H+]2CCOC[C@]3(CCCN(c4cnccn4)C3)C2)cs1 ZINC000096229284 132222800 /nfs/dbraw/zinc/22/28/00/132222800.db2.gz BUAZPQSEKSGXAY-GOSISDBHSA-N 1 2 359.499 2.361 40 0 FEABLO O=C1C[C@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(F)c(F)c1 ZINC000102242048 132234904 /nfs/dbraw/zinc/23/49/04/132234904.db2.gz SBRROHCUXMEHGV-SFHVURJKSA-N 1 2 371.387 2.419 40 0 FEABLO Cn1cc(-c2cnc3c(N4CC[NH+](Cc5ccco5)CC4)nccn23)cn1 ZINC000306138624 132301852 /nfs/dbraw/zinc/30/18/52/132301852.db2.gz SCMQMZJZBPKPIU-UHFFFAOYSA-N 1 2 363.425 2.045 40 0 FEABLO Cc1ccc(N2C[C@@]3(COCC[N@H+](Cc4ccco4)C3)OCC2=O)s1 ZINC000096051451 222000614 /nfs/dbraw/zinc/00/06/14/222000614.db2.gz JLTVNJZSFGTCAP-SFHVURJKSA-N 1 2 362.451 2.284 40 0 FEABLO Cc1ccc(N2C[C@@]3(COCC[N@@H+](Cc4ccco4)C3)OCC2=O)s1 ZINC000096051451 222000619 /nfs/dbraw/zinc/00/06/19/222000619.db2.gz JLTVNJZSFGTCAP-SFHVURJKSA-N 1 2 362.451 2.284 40 0 FEABLO Cc1nc(CN2CCOC[C@]3(C[N@H+](Cc4ccoc4)CCO3)C2)cs1 ZINC000096049807 222000985 /nfs/dbraw/zinc/00/09/85/222000985.db2.gz TWTCRMRBRMMVPS-SFHVURJKSA-N 1 2 363.483 2.148 40 0 FEABLO Cc1nc(CN2CCOC[C@]3(C[N@@H+](Cc4ccoc4)CCO3)C2)cs1 ZINC000096049807 222000987 /nfs/dbraw/zinc/00/09/87/222000987.db2.gz TWTCRMRBRMMVPS-SFHVURJKSA-N 1 2 363.483 2.148 40 0 FEABLO Cc1cccc(COC[C@@H]2C[C@H]3OCCN(Cc4[nH+]ccn4C)[C@@H]3C2)n1 ZINC000096250709 222099760 /nfs/dbraw/zinc/09/97/60/222099760.db2.gz VRNUWDNDZPVIPC-QXAKKESOSA-N 1 2 356.470 2.320 40 0 FEABLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)NC(C)C)CC[C@@H]3C2)cs1 ZINC000096249704 222099974 /nfs/dbraw/zinc/09/99/74/222099974.db2.gz IZVHKGBCBSHGHF-GDBMZVCRSA-N 1 2 352.504 2.092 40 0 FEABLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)NC(C)C)CC[C@@H]3C2)cs1 ZINC000096249704 222099976 /nfs/dbraw/zinc/09/99/76/222099976.db2.gz IZVHKGBCBSHGHF-GDBMZVCRSA-N 1 2 352.504 2.092 40 0 FEABLO Cn1c[nH+]c2c1[C@H](C(=O)NC1CCCC1)N(C(=O)c1ccccc1)CC2 ZINC000096147196 222049278 /nfs/dbraw/zinc/04/92/78/222049278.db2.gz RBLZRFQUGUFRPE-GOSISDBHSA-N 1 2 352.438 2.219 40 0 FEABLO Cc1cnc(C(=O)N2CCC[C@]3(C[C@H](Nc4cccc[nH+]4)CO3)C2)cn1 ZINC000096222948 222085735 /nfs/dbraw/zinc/08/57/35/222085735.db2.gz USKMZEFTNSHLLM-KXBFYZLASA-N 1 2 353.426 2.056 40 0 FEABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]2[C@H](C1)CCCC(=O)N2C ZINC000257233714 534675083 /nfs/dbraw/zinc/67/50/83/534675083.db2.gz GQJWBYYKSXXCQN-DOTOQJQBSA-N 1 2 354.454 2.204 40 0 FEABLO CC(C)[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670377 535169597 /nfs/dbraw/zinc/16/95/97/535169597.db2.gz AEGZEFHWBRJXEF-RBUKOAKNSA-N 1 2 370.501 2.371 40 0 FEABLO O=C(COCC[C@H]1CCOC2(C[NH+](Cc3cccnc3)C2)C1)N1CCCC1 ZINC000247742081 549376477 /nfs/dbraw/zinc/37/64/77/549376477.db2.gz OPXLGNHGCMFJHK-SFHVURJKSA-N 1 2 373.497 2.092 40 0 FEABLO O=C(c1cscn1)N1Cc2c[nH+]cn2[C@H](COc2ncccc2F)C1 ZINC000247809152 549382948 /nfs/dbraw/zinc/38/29/48/549382948.db2.gz DIBCXDPUXVHCEL-LBPRGKRZSA-N 1 2 359.386 2.150 40 0 FEABLO O=C1CCCN1CC[C@@H]1CCOC12C[NH+](Cc1ccc3c(c1)OCO3)C2 ZINC000247849419 549386182 /nfs/dbraw/zinc/38/61/82/549386182.db2.gz GBUUBSUBXHKNPX-MRXNPFEDSA-N 1 2 358.438 2.019 40 0 FEABLO CN(C)C(=O)COCC[C@H]1CCOC12C[NH+](Cc1ccccc1Cl)C2 ZINC000247948096 549394590 /nfs/dbraw/zinc/39/45/90/549394590.db2.gz BIJRWJBWGQWFHU-INIZCTEOSA-N 1 2 366.889 2.426 40 0 FEABLO Cc1nc(CN2Cc3c[nH+]cn3[C@H](C(=O)NCc3ccco3)C2)cs1 ZINC000247969619 549397173 /nfs/dbraw/zinc/39/71/73/549397173.db2.gz RVMKQDDBJMZHRB-INIZCTEOSA-N 1 2 357.439 2.114 40 0 FEABLO COc1ccccc1C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccno1)CO2 ZINC000248154582 549411625 /nfs/dbraw/zinc/41/16/25/549411625.db2.gz YDNARWNTKAQXIX-OAHLLOKOSA-N 1 2 371.437 2.094 40 0 FEABLO Cc1ccnc(OC[C@@H]2CN(C(=O)c3ccccc3F)Cc3c[nH+]cn32)n1 ZINC000253478091 549689277 /nfs/dbraw/zinc/68/92/77/549689277.db2.gz JCIUMYXCPMYIDR-HNNXBMFYSA-N 1 2 367.384 2.397 40 0 FEABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccco1 ZINC000261366132 549730532 /nfs/dbraw/zinc/73/05/32/549730532.db2.gz XNYMKAOTIAPHHS-INIZCTEOSA-O 1 2 355.399 2.365 40 0 FEABLO CC(C)[C@@H](CO)Nc1nc(NCc2cccnc2)cc(-c2ccncc2)[nH+]1 ZINC000329020800 571129973 /nfs/dbraw/zinc/12/99/73/571129973.db2.gz OCSJUECYRZQGCT-GOSISDBHSA-N 1 2 364.453 2.975 40 0 FEABLO Cn1ccc(C(=O)N2Cc3c[nH+]cn3CC[C@H]2COc2ccccc2)n1 ZINC000585096970 571221072 /nfs/dbraw/zinc/22/10/72/571221072.db2.gz GDVCEDULJYTXLZ-HNNXBMFYSA-N 1 2 351.410 2.110 40 0 FEABLO O=C(C1=NO[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2)N1CC(F)(C2CC2)C1 ZINC000585101212 571222215 /nfs/dbraw/zinc/22/22/15/571222215.db2.gz OCXZNWNUGGSKNE-IBGZPJMESA-N 1 2 372.444 2.153 40 0 FEABLO O=C(C1=NO[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2)N1CC(F)(C2CC2)C1 ZINC000585101212 571222216 /nfs/dbraw/zinc/22/22/16/571222216.db2.gz OCXZNWNUGGSKNE-IBGZPJMESA-N 1 2 372.444 2.153 40 0 FEABLO CCS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3cccc(Cl)c3)C2)OC1 ZINC000585105070 571224109 /nfs/dbraw/zinc/22/41/09/571224109.db2.gz OTAGJVQMCPPNFY-HNNXBMFYSA-N 1 2 372.918 2.260 40 0 FEABLO O=C(NCC[C@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21)c1cnccn1 ZINC000585112367 571226119 /nfs/dbraw/zinc/22/61/19/571226119.db2.gz OBYFSNUCOCVHTN-HNNXBMFYSA-N 1 2 368.466 2.112 40 0 FEABLO O=C(NCC[C@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21)c1cnccn1 ZINC000585112367 571226121 /nfs/dbraw/zinc/22/61/21/571226121.db2.gz OBYFSNUCOCVHTN-HNNXBMFYSA-N 1 2 368.466 2.112 40 0 FEABLO COC(=O)c1ccc(C[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)o1 ZINC000035598325 210186830 /nfs/dbraw/zinc/18/68/30/210186830.db2.gz KURBMTISXZTJOW-UHFFFAOYSA-N 1 2 354.410 2.260 40 0 FEABLO COc1cccc([C@H](NC(=O)c2ccccn2)c2[nH+]ccn2C)c1OC ZINC000012114972 539544104 /nfs/dbraw/zinc/54/41/04/539544104.db2.gz JJOCRCPUWSDNLL-INIZCTEOSA-N 1 2 352.394 2.352 40 0 FEABLO CC(=O)Nc1ccc(C[N@@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)cc1 ZINC000012142842 539545603 /nfs/dbraw/zinc/54/56/03/539545603.db2.gz LKHMCIUSRZBPOB-UHFFFAOYSA-N 1 2 366.469 2.176 40 0 FEABLO CC(=O)Nc1ccc(C[N@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)cc1 ZINC000012142842 539545606 /nfs/dbraw/zinc/54/56/06/539545606.db2.gz LKHMCIUSRZBPOB-UHFFFAOYSA-N 1 2 366.469 2.176 40 0 FEABLO CC(=O)Nc1ccc(CN2CCc3c(N)nc(N4CCCC4)[nH+]c3C2)cc1 ZINC000012142842 539545609 /nfs/dbraw/zinc/54/56/09/539545609.db2.gz LKHMCIUSRZBPOB-UHFFFAOYSA-N 1 2 366.469 2.176 40 0 FEABLO CCOc1cc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)ccc1O ZINC000012182533 539548515 /nfs/dbraw/zinc/54/85/15/539548515.db2.gz KORNGSJCJUYUFD-UHFFFAOYSA-N 1 2 370.453 2.033 40 0 FEABLO CCOc1cc(C[N@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)ccc1O ZINC000012182533 539548517 /nfs/dbraw/zinc/54/85/17/539548517.db2.gz KORNGSJCJUYUFD-UHFFFAOYSA-N 1 2 370.453 2.033 40 0 FEABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@H+](Cc4ccoc4)C[C@@H]2S3(=O)=O)cn1 ZINC000306142111 210057983 /nfs/dbraw/zinc/05/79/83/210057983.db2.gz WPTPLYHQMNHJMP-MJGOQNOKSA-N 1 2 369.446 2.435 40 0 FEABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@@H+](Cc4ccoc4)C[C@@H]2S3(=O)=O)cn1 ZINC000306142111 210057988 /nfs/dbraw/zinc/05/79/88/210057988.db2.gz WPTPLYHQMNHJMP-MJGOQNOKSA-N 1 2 369.446 2.435 40 0 FEABLO CCn1cc(CN2Cc3c[nH+]cn3[C@@H](C(=O)NCc3cccs3)C2)cn1 ZINC000306133651 210053055 /nfs/dbraw/zinc/05/30/55/210053055.db2.gz MSEAEPUTQLNJMJ-QGZVFWFLSA-N 1 2 370.482 2.034 40 0 FEABLO CC(C)(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1nnnn1C(C)(C)C ZINC000035313263 539980448 /nfs/dbraw/zinc/98/04/48/539980448.db2.gz QMQLVTPAXOKWTP-GOOCMWNKSA-N 1 2 362.522 2.476 40 0 FEABLO CC(C)(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1nnnn1C(C)(C)C ZINC000035313263 539980451 /nfs/dbraw/zinc/98/04/51/539980451.db2.gz QMQLVTPAXOKWTP-GOOCMWNKSA-N 1 2 362.522 2.476 40 0 FEABLO Cc1noc(C)c1-c1cncc([C@H]2CCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC000257266221 223043737 /nfs/dbraw/zinc/04/37/37/223043737.db2.gz MCANSXDPNMTSSM-MRXNPFEDSA-N 1 2 352.398 2.309 40 0 FEABLO Cn1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306136761 223112059 /nfs/dbraw/zinc/11/20/59/223112059.db2.gz QCQUZRFUENXIRT-QFBILLFUSA-N 1 2 369.446 2.435 40 0 FEABLO Cn1cc(C[N@H+]2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306136761 223112060 /nfs/dbraw/zinc/11/20/60/223112060.db2.gz QCQUZRFUENXIRT-QFBILLFUSA-N 1 2 369.446 2.435 40 0 FEABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)c2coc(C)n2)n1 ZINC000072378831 541803501 /nfs/dbraw/zinc/80/35/01/541803501.db2.gz QLVAHFAZQBSUIC-HNNXBMFYSA-N 1 2 352.398 2.498 40 0 FEABLO O=C(c1cc([C@@H]2CCCC[N@@H+]2Cc2cccnc2)[nH]n1)N1CCOCC1 ZINC000072380499 541803103 /nfs/dbraw/zinc/80/31/03/541803103.db2.gz COUIXUYZTWVOPV-SFHVURJKSA-N 1 2 355.442 2.004 40 0 FEABLO O=C(c1cc([C@@H]2CCCC[N@H+]2Cc2cccnc2)[nH]n1)N1CCOCC1 ZINC000072380499 541803107 /nfs/dbraw/zinc/80/31/07/541803107.db2.gz COUIXUYZTWVOPV-SFHVURJKSA-N 1 2 355.442 2.004 40 0 FEABLO C[N@@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)CCc1ccccc1)CC2 ZINC000072380127 541803291 /nfs/dbraw/zinc/80/32/91/541803291.db2.gz SDJYTURCONLGDD-QGZVFWFLSA-N 1 2 353.470 2.062 40 0 FEABLO C[N@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)CCc1ccccc1)CC2 ZINC000072380127 541803295 /nfs/dbraw/zinc/80/32/95/541803295.db2.gz SDJYTURCONLGDD-QGZVFWFLSA-N 1 2 353.470 2.062 40 0 FEABLO CNc1cc(CNC(=O)C[NH+]2Cc3ccccc3C2)nc(-c2cccnc2)n1 ZINC000019592242 211240504 /nfs/dbraw/zinc/24/05/04/211240504.db2.gz GGRZMDNHAXPCQI-UHFFFAOYSA-N 1 2 374.448 2.212 40 0 FEABLO O=C(CCCc1ccc(F)cc1)N1CCC[C@H](c2nnc3n2CC[NH2+]C3)C1 ZINC000019711045 211247902 /nfs/dbraw/zinc/24/79/02/211247902.db2.gz NNXJWRYXHXXSGR-INIZCTEOSA-N 1 2 371.460 2.249 40 0 FEABLO C[C@@H](Cn1cnc2ccccc21)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000019457745 211223613 /nfs/dbraw/zinc/22/36/13/211223613.db2.gz BBPAMTJASSLNFK-KRWDZBQOSA-N 1 2 363.465 2.412 40 0 FEABLO Cn1nc(-c2cccnc2)cc1C[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000019289002 211212859 /nfs/dbraw/zinc/21/28/59/211212859.db2.gz NFUDMJZVWKXBJM-UHFFFAOYSA-N 1 2 353.470 2.317 40 0 FEABLO C[C@@H](C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1)[NH+]1CCOCC1 ZINC000019078215 211202207 /nfs/dbraw/zinc/20/22/07/211202207.db2.gz HMOWVXJCARTLMR-JKSUJKDBSA-N 1 2 350.434 2.164 40 0 FEABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)C1 ZINC000054670812 221054936 /nfs/dbraw/zinc/05/49/36/221054936.db2.gz VLHSMISNEYPXOI-SWLSCSKDSA-N 1 2 364.829 2.247 40 0 FEABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)C1 ZINC000054670812 221054940 /nfs/dbraw/zinc/05/49/40/221054940.db2.gz VLHSMISNEYPXOI-SWLSCSKDSA-N 1 2 364.829 2.247 40 0 FEABLO O=C1N(C2CCOCC2)C[C@H]2C[N@H+](Cc3ccc4ccccc4n3)CCN12 ZINC000085436227 542727199 /nfs/dbraw/zinc/72/71/99/542727199.db2.gz UJCBHCJSKQYWHQ-LJQANCHMSA-N 1 2 366.465 2.336 40 0 biogenic,in-vitro FEABLO O=C1N(C2CCOCC2)C[C@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCN12 ZINC000085436227 542727204 /nfs/dbraw/zinc/72/72/04/542727204.db2.gz UJCBHCJSKQYWHQ-LJQANCHMSA-N 1 2 366.465 2.336 40 0 biogenic,in-vitro FEABLO Cc1nc(C[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)cc(C(=O)N(C)C)n1 ZINC000257317903 132297335 /nfs/dbraw/zinc/29/73/35/132297335.db2.gz VLQHYGQPCUFKNW-HNNXBMFYSA-N 1 2 354.458 2.044 40 0 FEABLO CCOC(=O)N1CC[NH+](C[C@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1 ZINC000095533203 542982926 /nfs/dbraw/zinc/98/29/26/542982926.db2.gz YMLVJQDQZDAEFW-MIALQEHNSA-N 1 2 368.518 2.353 40 0 FEABLO Cc1ccc(S(=O)(=O)N2CCCn3cnc(C[NH+]4CCCC4)c3C2)cc1 ZINC000096259334 222103159 /nfs/dbraw/zinc/10/31/59/222103159.db2.gz VQWRWDAXBZHFKJ-UHFFFAOYSA-N 1 2 374.510 2.382 40 0 FEABLO COCC(=O)N1CCC2(CC1)c1ncc(-c3ccc(F)cc3)n1CC[N@H+]2C ZINC000096263345 222104197 /nfs/dbraw/zinc/10/41/97/222104197.db2.gz QOARVSFHCBSAPO-UHFFFAOYSA-N 1 2 372.444 2.099 40 0 FEABLO COCC(=O)N1CCC2(CC1)c1ncc(-c3ccc(F)cc3)n1CC[N@@H+]2C ZINC000096263345 222104200 /nfs/dbraw/zinc/10/42/00/222104200.db2.gz QOARVSFHCBSAPO-UHFFFAOYSA-N 1 2 372.444 2.099 40 0 FEABLO O=C(NCC1CCOCC1)[C@@H]1CN(Cc2ccccc2F)Cc2c[nH+]cn21 ZINC000247509898 549347715 /nfs/dbraw/zinc/34/77/15/549347715.db2.gz SQANZNXPONHCGQ-IBGZPJMESA-N 1 2 372.444 2.122 40 0 FEABLO CCCOc1ccc(N2C(=O)C[C@H]([N@H+](C)Cc3cn(C)nc3C)C2=O)cc1 ZINC000020477433 520386825 /nfs/dbraw/zinc/38/68/25/520386825.db2.gz HYTAMUXYFIWXJB-SFHVURJKSA-N 1 2 370.453 2.281 40 0 FEABLO CCCOc1ccc(N2C(=O)C[C@H]([N@@H+](C)Cc3cn(C)nc3C)C2=O)cc1 ZINC000020477433 520386837 /nfs/dbraw/zinc/38/68/37/520386837.db2.gz HYTAMUXYFIWXJB-SFHVURJKSA-N 1 2 370.453 2.281 40 0 FEABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)C3CC3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136930 528618466 /nfs/dbraw/zinc/61/84/66/528618466.db2.gz QHAHPLXIOSZUIY-LAUBAEHRSA-N 1 2 370.497 2.429 40 0 FEABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccncc1 ZINC000248047154 549402359 /nfs/dbraw/zinc/40/23/59/549402359.db2.gz RBJDLAZFWLDMEE-INIZCTEOSA-N 1 2 372.494 2.258 40 0 FEABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccco1 ZINC000248073444 549406306 /nfs/dbraw/zinc/40/63/06/549406306.db2.gz YXOWMSVOCVNCIB-AWEZNQCLSA-N 1 2 361.467 2.456 40 0 FEABLO [NH3+]c1ccc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C(=O)[O-])c1 ZINC000408712695 558688749 /nfs/dbraw/zinc/68/87/49/558688749.db2.gz JBXLGQFNPWHKRZ-UHFFFAOYSA-N 1 2 355.394 2.018 40 0 FEABLO Cc1cc(=O)[nH]c(C(=O)N(C)C[C@@H]2OCC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000575785227 570631264 /nfs/dbraw/zinc/63/12/64/570631264.db2.gz YPSIOTVLBSYIIK-HKUYNNGSSA-N 1 2 355.438 2.240 40 0 FEABLO Cc1cc(=O)[nH]c(C(=O)N(C)C[C@@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000575785227 570631267 /nfs/dbraw/zinc/63/12/67/570631267.db2.gz YPSIOTVLBSYIIK-HKUYNNGSSA-N 1 2 355.438 2.240 40 0 FEABLO C[C@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(-c2cccnc2)[nH+]1 ZINC000329000651 210129555 /nfs/dbraw/zinc/12/95/55/210129555.db2.gz KAOVMYYNMCLFTI-CYBMUJFWSA-N 1 2 369.856 2.441 40 0 FEABLO C[C@@H](CO)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000328976784 210126900 /nfs/dbraw/zinc/12/69/00/210126900.db2.gz FPTYWQYRHJTPGG-LBPRGKRZSA-N 1 2 371.391 2.065 40 0 FEABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1nc2c(s1)CCCC2 ZINC000012114564 539543587 /nfs/dbraw/zinc/54/35/87/539543587.db2.gz IGMYZPAUNVRKPP-UHFFFAOYSA-N 1 2 372.494 2.339 40 0 FEABLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(C)nc2c(Cl)cccc12 ZINC000012147271 539547070 /nfs/dbraw/zinc/54/70/70/539547070.db2.gz YANAWFGVMXULSG-HNNXBMFYSA-N 1 2 372.812 2.434 40 0 FEABLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(C)nc2c(Cl)cccc12 ZINC000012147271 539547075 /nfs/dbraw/zinc/54/70/75/539547075.db2.gz YANAWFGVMXULSG-HNNXBMFYSA-N 1 2 372.812 2.434 40 0 FEABLO CN(C)c1nc2c(c(N3CCC[C@@H](O)C3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000012183241 539548797 /nfs/dbraw/zinc/54/87/97/539548797.db2.gz BNLZIKHSSNPZHD-QGZVFWFLSA-N 1 2 367.497 2.062 40 0 FEABLO CN(C)c1nc2c(c(N3CCC[C@@H](O)C3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000012183241 539548800 /nfs/dbraw/zinc/54/88/00/539548800.db2.gz BNLZIKHSSNPZHD-QGZVFWFLSA-N 1 2 367.497 2.062 40 0 FEABLO CN(C)C(=O)NC[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000306141934 210058696 /nfs/dbraw/zinc/05/86/96/210058696.db2.gz WKRJVELBCRTTDA-INIZCTEOSA-N 1 2 352.442 2.193 40 0 FEABLO CN(C)C(=O)NC[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000306141934 210058701 /nfs/dbraw/zinc/05/87/01/210058701.db2.gz WKRJVELBCRTTDA-INIZCTEOSA-N 1 2 352.442 2.193 40 0 FEABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccco2)N1CCC[NH+]1CCOCC1 ZINC000223167385 222768421 /nfs/dbraw/zinc/76/84/21/222768421.db2.gz SBJJNBOGLWFBNZ-ROUUACIJSA-N 1 2 372.494 2.369 40 0 FEABLO Cc1c(C[N@@H+]2CCO[C@H](c3ccc(-c4cncnc4)cn3)C2)cnn1C ZINC000019692591 539665607 /nfs/dbraw/zinc/66/56/07/539665607.db2.gz PTEOTFOUZUIODX-IBGZPJMESA-N 1 2 350.426 2.154 40 0 FEABLO Cc1c(C[N@H+]2CCO[C@H](c3ccc(-c4cncnc4)cn3)C2)cnn1C ZINC000019692591 539665610 /nfs/dbraw/zinc/66/56/10/539665610.db2.gz PTEOTFOUZUIODX-IBGZPJMESA-N 1 2 350.426 2.154 40 0 FEABLO O=C(NCCOCc1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000223413827 222779016 /nfs/dbraw/zinc/77/90/16/222779016.db2.gz JJJFYXXMQOLLBN-UHFFFAOYSA-N 1 2 354.450 2.465 40 0 FEABLO CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1cccc(C)c1 ZINC000049536370 540390203 /nfs/dbraw/zinc/39/02/03/540390203.db2.gz BKNXRNMHVBTMNE-UHFFFAOYSA-N 1 2 359.499 2.140 40 0 FEABLO O=C(c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)[nH]n1)N1CCOCC1 ZINC000072380524 541802821 /nfs/dbraw/zinc/80/28/21/541802821.db2.gz TWCRDULNNKDWPE-INIZCTEOSA-N 1 2 372.444 2.401 40 0 FEABLO O=C(c1cc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)[nH]n1)N1CCOCC1 ZINC000072380524 541802826 /nfs/dbraw/zinc/80/28/26/541802826.db2.gz TWCRDULNNKDWPE-INIZCTEOSA-N 1 2 372.444 2.401 40 0 FEABLO Cn1ncc2c1nc[nH+]c2NCC(=O)NCC(C)(C)c1cccc(F)c1 ZINC000019719287 211250860 /nfs/dbraw/zinc/25/08/60/211250860.db2.gz VCWWATZTXFHHAT-UHFFFAOYSA-N 1 2 356.405 2.008 40 0 FEABLO C[C@@H](CC(=O)N1CCC[C@]2(C1)CNC(=O)c1ccccc1O2)n1cc[nH+]c1 ZINC000019455269 211223154 /nfs/dbraw/zinc/22/31/54/211223154.db2.gz UFXHMFGXZVQPKL-MGPUTAFESA-N 1 2 368.437 2.018 40 0 FEABLO O=C(NC[C@]1(O)CCCN(c2cccc[nH+]2)C1)c1cc2c(s1)CCC2 ZINC000257288327 132296347 /nfs/dbraw/zinc/29/63/47/132296347.db2.gz PTTLHOXSHVRYFB-LJQANCHMSA-N 1 2 357.479 2.393 40 0 FEABLO NS(=O)(=O)c1ccc2c(c1)CN(c1cc(NC3CCCC3)[nH+]cn1)CC2 ZINC000328981211 132372195 /nfs/dbraw/zinc/37/21/95/132372195.db2.gz GTFTXETWFVSMCM-UHFFFAOYSA-N 1 2 373.482 2.041 40 0 FEABLO NS(=O)(=O)c1ccc2c(c1)CN(c1cc(NC3CCCC3)nc[nH+]1)CC2 ZINC000328981211 132372196 /nfs/dbraw/zinc/37/21/96/132372196.db2.gz GTFTXETWFVSMCM-UHFFFAOYSA-N 1 2 373.482 2.041 40 0 FEABLO OCCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc[nH+]1 ZINC000329066308 132372973 /nfs/dbraw/zinc/37/29/73/132372973.db2.gz XZMLVHKHFGZRSW-UHFFFAOYSA-N 1 2 354.332 2.342 40 0 FEABLO OCCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]cn1 ZINC000329066308 132372974 /nfs/dbraw/zinc/37/29/74/132372974.db2.gz XZMLVHKHFGZRSW-UHFFFAOYSA-N 1 2 354.332 2.342 40 0 FEABLO COc1ccc(NCc2n[nH]c([C@@H]([NH3+])c3ccc(OC)c(OC)c3)n2)cc1 ZINC000095533829 542982540 /nfs/dbraw/zinc/98/25/40/542982540.db2.gz DGJAOJAGIJOPKI-SFHVURJKSA-N 1 2 369.425 2.491 40 0 FEABLO COc1ccc(NCc2nnc([C@@H]([NH3+])c3ccc(OC)c(OC)c3)[nH]2)cc1 ZINC000095533829 542982543 /nfs/dbraw/zinc/98/25/43/542982543.db2.gz DGJAOJAGIJOPKI-SFHVURJKSA-N 1 2 369.425 2.491 40 0 FEABLO COc1ccc(NCc2nc([C@@H]([NH3+])c3ccc(OC)c(OC)c3)n[nH]2)cc1 ZINC000095533829 542982544 /nfs/dbraw/zinc/98/25/44/542982544.db2.gz DGJAOJAGIJOPKI-SFHVURJKSA-N 1 2 369.425 2.491 40 0 FEABLO O=C(Cc1ccsc1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096259579 222103501 /nfs/dbraw/zinc/10/35/01/222103501.db2.gz NUMFMZWFWFEJDY-UHFFFAOYSA-N 1 2 359.499 2.301 40 0 FEABLO Cc1nc(C[N@H+]2CCOC[C@@]3(CCCN(C(=O)N(C)C)C3)C2)cs1 ZINC000096229293 222090599 /nfs/dbraw/zinc/09/05/99/222090599.db2.gz LTBPVUJAJIIZAV-KRWDZBQOSA-N 1 2 352.504 2.048 40 0 FEABLO Cc1nc(C[N@@H+]2CCOC[C@@]3(CCCN(C(=O)N(C)C)C3)C2)cs1 ZINC000096229293 222090602 /nfs/dbraw/zinc/09/06/02/222090602.db2.gz LTBPVUJAJIIZAV-KRWDZBQOSA-N 1 2 352.504 2.048 40 0 FEABLO CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH+]c[nH]2)[C@@H]1c1ccccc1F ZINC000257288175 528948191 /nfs/dbraw/zinc/94/81/91/528948191.db2.gz PTEQCLNBJJUYGT-QAPCUYQASA-N 1 2 358.417 2.207 40 0 FEABLO CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH]c[nH+]2)[C@@H]1c1ccccc1F ZINC000257288175 528948200 /nfs/dbraw/zinc/94/82/00/528948200.db2.gz PTEQCLNBJJUYGT-QAPCUYQASA-N 1 2 358.417 2.207 40 0 FEABLO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CC[N@H+](Cc1nccs1)C2 ZINC000096050247 536331135 /nfs/dbraw/zinc/33/11/35/536331135.db2.gz QIEFFAOJSYESJZ-SFHVURJKSA-N 1 2 360.458 2.205 40 0 FEABLO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CC[N@@H+](Cc1nccs1)C2 ZINC000096050247 536331139 /nfs/dbraw/zinc/33/11/39/536331139.db2.gz QIEFFAOJSYESJZ-SFHVURJKSA-N 1 2 360.458 2.205 40 0 FEABLO O=C(Cn1ccc(=O)c2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225720256 548741549 /nfs/dbraw/zinc/74/15/49/548741549.db2.gz YTUQPYYQYGREEB-UHFFFAOYSA-N 1 2 361.445 2.346 40 0 FEABLO O=C(COCC[C@@H]1CCOC2(C[NH+](Cc3cccnc3)C2)C1)N1CCCC1 ZINC000247742078 549376833 /nfs/dbraw/zinc/37/68/33/549376833.db2.gz OPXLGNHGCMFJHK-GOSISDBHSA-N 1 2 373.497 2.092 40 0 FEABLO O=C(COCC[C@@H]1CCOC2(C[NH+](Cc3ccncc3)C2)C1)N1CCCC1 ZINC000247755481 549377522 /nfs/dbraw/zinc/37/75/22/549377522.db2.gz ZDQFIQUBQDEIAO-GOSISDBHSA-N 1 2 373.497 2.092 40 0 FEABLO O=C(c1cscn1)N1Cc2ccnn2C[C@H](CNc2cccc[nH+]2)C1 ZINC000247880068 549388350 /nfs/dbraw/zinc/38/83/50/549388350.db2.gz VLDKMYZWOJYJOU-CYBMUJFWSA-N 1 2 354.439 2.119 40 0 FEABLO Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000248092412 549405727 /nfs/dbraw/zinc/40/57/27/549405727.db2.gz LRLMULBDBHJHAL-INIZCTEOSA-N 1 2 362.437 2.366 40 0 FEABLO C[C@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(-c2ccncc2)[nH+]1 ZINC000328962471 553854108 /nfs/dbraw/zinc/85/41/08/553854108.db2.gz BIBONTPGZXYTRX-CYBMUJFWSA-N 1 2 369.856 2.441 40 0 FEABLO COCC[NH+]1CCN([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CC1 ZINC000585290532 570496033 /nfs/dbraw/zinc/49/60/33/570496033.db2.gz XUAIJOPFBCKICA-IPMKNSEASA-N 1 2 368.905 2.265 40 0 FEABLO C[C@@H]1c2[nH+]cc(CCOCC3CCOCC3)n2CCN1Cc1cn[nH]c1 ZINC000585097262 571220202 /nfs/dbraw/zinc/22/02/02/571220202.db2.gz HDHRZVKPJBIQRS-OAHLLOKOSA-N 1 2 359.474 2.169 40 0 FEABLO C[C@@H]1c2ncc(CCOCC3CCOCC3)n2CC[N@H+]1Cc1cn[nH]c1 ZINC000585097262 571220205 /nfs/dbraw/zinc/22/02/05/571220205.db2.gz HDHRZVKPJBIQRS-OAHLLOKOSA-N 1 2 359.474 2.169 40 0 FEABLO C[C@@H]1c2ncc(CCOCC3CCOCC3)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585097262 571220208 /nfs/dbraw/zinc/22/02/08/571220208.db2.gz HDHRZVKPJBIQRS-OAHLLOKOSA-N 1 2 359.474 2.169 40 0 FEABLO O=C(NCC[C@H]1CCOC12C[NH+](Cc1ccccn1)C2)C1CC(F)(F)C1 ZINC000585103222 571223547 /nfs/dbraw/zinc/22/35/47/571223547.db2.gz SGRNUMMCMZLJIK-HNNXBMFYSA-N 1 2 365.424 2.224 40 0 FEABLO Cn1cnc2c1[C@@H](C(=O)N1CC(F)(F)C1)C[N@H+](Cc1cccs1)C2 ZINC000585110820 571226656 /nfs/dbraw/zinc/22/66/56/571226656.db2.gz KRMSMFOWXPWIFW-LBPRGKRZSA-N 1 2 352.410 2.059 40 0 FEABLO Cn1cnc2c1[C@@H](C(=O)N1CC(F)(F)C1)C[N@@H+](Cc1cccs1)C2 ZINC000585110820 571226658 /nfs/dbraw/zinc/22/66/58/571226658.db2.gz KRMSMFOWXPWIFW-LBPRGKRZSA-N 1 2 352.410 2.059 40 0 FEABLO CN(C)c1cccc([C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257239206 529793826 /nfs/dbraw/zinc/79/38/26/529793826.db2.gz HOJPIYLPQRKDEW-IBGZPJMESA-N 1 2 355.438 2.492 40 0 FEABLO CN(C)c1cccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257239206 529793827 /nfs/dbraw/zinc/79/38/27/529793827.db2.gz HOJPIYLPQRKDEW-IBGZPJMESA-N 1 2 355.438 2.492 40 0 FEABLO CNC(=O)c1sc2nccnc2c1[C@@H]1CC[N@H+](Cc2cscn2)C1 ZINC000257326282 529954814 /nfs/dbraw/zinc/95/48/14/529954814.db2.gz WWPJTTKHPHUJFG-SNVBAGLBSA-N 1 2 359.480 2.497 40 0 FEABLO CNC(=O)c1sc2nccnc2c1[C@@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000257326282 529954816 /nfs/dbraw/zinc/95/48/16/529954816.db2.gz WWPJTTKHPHUJFG-SNVBAGLBSA-N 1 2 359.480 2.497 40 0 FEABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)cc1C(F)(F)F ZINC000328958927 210126710 /nfs/dbraw/zinc/12/67/10/210126710.db2.gz AQPFKKCPRITLER-UHFFFAOYSA-N 1 2 368.359 2.373 40 0 FEABLO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000010112764 539513299 /nfs/dbraw/zinc/51/32/99/539513299.db2.gz OCBZNYSAZCCKOW-UHFFFAOYSA-N 1 2 373.478 2.183 40 0 FEABLO COc1ccc([C@H](NC(=O)[C@@]2(C)CCCO2)c2[nH+]ccn2C)cc1OC ZINC000012147207 539546738 /nfs/dbraw/zinc/54/67/38/539546738.db2.gz WZNNEEYECHUGEG-QFBILLFUSA-N 1 2 359.426 2.212 40 0 FEABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2CCNC(=O)N1CCCC1 ZINC000306143365 210057828 /nfs/dbraw/zinc/05/78/28/210057828.db2.gz YAGGRHUBBNYAIF-GOSISDBHSA-N 1 2 373.497 2.482 40 0 FEABLO C[NH+](C)Cc1cc(C2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)n[nH]1 ZINC000019708944 539666596 /nfs/dbraw/zinc/66/65/96/539666596.db2.gz RPBILLWJWLIMIA-UHFFFAOYSA-N 1 2 370.453 2.262 40 0 FEABLO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccc(C(=O)Nc3cnccn3)n2)cn1 ZINC000257240296 223033184 /nfs/dbraw/zinc/03/31/84/223033184.db2.gz HSXIKYKJVFWQGE-KRWDZBQOSA-N 1 2 363.425 2.195 40 0 FEABLO Cn1cc(C[N@H+]2CCC[C@H]2c2cccc(C(=O)Nc3cnccn3)n2)cn1 ZINC000257240296 223033186 /nfs/dbraw/zinc/03/31/86/223033186.db2.gz HSXIKYKJVFWQGE-KRWDZBQOSA-N 1 2 363.425 2.195 40 0 FEABLO COCC(=O)N1CCO[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000257284583 223049899 /nfs/dbraw/zinc/04/98/99/223049899.db2.gz PDGGGBGDFJLMGX-QGZVFWFLSA-N 1 2 371.441 2.087 40 0 FEABLO C[C@H](C(=O)N1CCC(c2nc3ccccc3cc2N)CC1)[NH+]1CCOCC1 ZINC000072341747 541800591 /nfs/dbraw/zinc/80/05/91/541800591.db2.gz SJYUPJKETXLNDO-OAHLLOKOSA-N 1 2 368.481 2.244 40 0 FEABLO Cc1c(C(=O)N2CC[NH+](C)CC2)nnc2c(-c3ccc(Cl)cc3)cnn21 ZINC000019817116 211257477 /nfs/dbraw/zinc/25/74/77/211257477.db2.gz RSXUAFIFWSDADB-UHFFFAOYSA-N 1 2 370.844 2.141 40 0 FEABLO CCC(C)(C)n1nnnc1[C@H](c1ccccc1)[NH+]1CCC(C(N)=O)CC1 ZINC000057669943 221091804 /nfs/dbraw/zinc/09/18/04/221091804.db2.gz JNNVKHUJSOXLLC-INIZCTEOSA-N 1 2 356.474 2.105 40 0 FEABLO Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(Cc2cnn[nH]2)C3)s1 ZINC000096049504 222001774 /nfs/dbraw/zinc/00/17/74/222001774.db2.gz PHKWJDLKYVQPOK-SFHVURJKSA-N 1 2 361.515 2.289 40 0 FEABLO Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(Cc2cnn[nH]2)C3)s1 ZINC000096049504 222001777 /nfs/dbraw/zinc/00/17/77/222001777.db2.gz PHKWJDLKYVQPOK-SFHVURJKSA-N 1 2 361.515 2.289 40 0 FEABLO Cn1cc(-c2nc3c(c(NC4CC4)n2)C[N@H+](Cc2ccncc2)CC3)cn1 ZINC000096254206 222101726 /nfs/dbraw/zinc/10/17/26/222101726.db2.gz AIXCGYAQALIYRU-UHFFFAOYSA-N 1 2 361.453 2.405 40 0 FEABLO Cn1cc(-c2nc3c(c(NC4CC4)n2)C[N@@H+](Cc2ccncc2)CC3)cn1 ZINC000096254206 222101729 /nfs/dbraw/zinc/10/17/29/222101729.db2.gz AIXCGYAQALIYRU-UHFFFAOYSA-N 1 2 361.453 2.405 40 0 FEABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000107264933 222391831 /nfs/dbraw/zinc/39/18/31/222391831.db2.gz FATUDOIQBWCHDB-ZHALLVOQSA-N 1 2 355.438 2.197 40 0 FEABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000107264933 222391835 /nfs/dbraw/zinc/39/18/35/222391835.db2.gz FATUDOIQBWCHDB-ZHALLVOQSA-N 1 2 355.438 2.197 40 0 FEABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1 ZINC000257211288 534672616 /nfs/dbraw/zinc/67/26/16/534672616.db2.gz BYHJMMKXEKXXQF-CQSZACIVSA-N 1 2 351.410 2.247 40 0 FEABLO COc1ccc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000020492562 524066942 /nfs/dbraw/zinc/06/69/42/524066942.db2.gz PEJRZJGSWMLEEN-UHFFFAOYSA-N 1 2 370.449 2.466 40 0 FEABLO COc1ccccc1OCCNC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000078438205 524677555 /nfs/dbraw/zinc/67/75/55/524677555.db2.gz FSVLAAZIRJZDRA-UHFFFAOYSA-N 1 2 370.449 2.336 40 0 FEABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1CCC[NH+]1CCOCC1 ZINC000223169171 548717367 /nfs/dbraw/zinc/71/73/67/548717367.db2.gz NYQSGGRTISJJTH-QZTJIDSGSA-N 1 2 371.510 2.105 40 0 FEABLO Cc1noc(C)c1C(=O)N1CC2(C1)OCC[C@H]2CCNc1cccc[nH+]1 ZINC000252016590 549661816 /nfs/dbraw/zinc/66/18/16/549661816.db2.gz VZJJTAOJQZMFMF-OAHLLOKOSA-N 1 2 356.426 2.420 40 0 FEABLO CC(C)n1cc(C[N@@H+]2CCn3cc(CC(=O)NC4CC4)nc3[C@@H]2C)cn1 ZINC000306123042 553748389 /nfs/dbraw/zinc/74/83/89/553748389.db2.gz ADHFAQMWGQUJPX-AWEZNQCLSA-N 1 2 356.474 2.058 40 0 FEABLO CC(C)n1cc(C[N@H+]2CCn3cc(CC(=O)NC4CC4)nc3[C@@H]2C)cn1 ZINC000306123042 553748391 /nfs/dbraw/zinc/74/83/91/553748391.db2.gz ADHFAQMWGQUJPX-AWEZNQCLSA-N 1 2 356.474 2.058 40 0 FEABLO O=C(C[N@H+]1CCC[C@](O)(COc2cccc(F)c2)C1)Nc1ccccn1 ZINC000585277406 570489464 /nfs/dbraw/zinc/48/94/64/570489464.db2.gz UEKPEBKDNPDYNR-LJQANCHMSA-N 1 2 359.401 2.065 40 0 FEABLO O=C(C[N@@H+]1CCC[C@](O)(COc2cccc(F)c2)C1)Nc1ccccn1 ZINC000585277406 570489465 /nfs/dbraw/zinc/48/94/65/570489465.db2.gz UEKPEBKDNPDYNR-LJQANCHMSA-N 1 2 359.401 2.065 40 0 FEABLO CC(C)CC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCCc2cccs2)C1 ZINC000585096023 571220922 /nfs/dbraw/zinc/22/09/22/571220922.db2.gz LSZRSCYBTRNRIZ-MRXNPFEDSA-N 1 2 360.483 2.233 40 0 FEABLO CC(C)N(C)C(=O)C1=NO[C@]2(C1)CCC[N@H+](Cc1cnn(C(C)C)c1)C2 ZINC000585101317 571222195 /nfs/dbraw/zinc/22/21/95/571222195.db2.gz XVHPIKVLUCYBEP-IBGZPJMESA-N 1 2 361.490 2.442 40 0 FEABLO CC(C)N(C)C(=O)C1=NO[C@]2(C1)CCC[N@@H+](Cc1cnn(C(C)C)c1)C2 ZINC000585101317 571222196 /nfs/dbraw/zinc/22/21/96/571222196.db2.gz XVHPIKVLUCYBEP-IBGZPJMESA-N 1 2 361.490 2.442 40 0 FEABLO O=C(C1=NO[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2)N1CC(F)(C2CC2)C1 ZINC000585101213 571222199 /nfs/dbraw/zinc/22/21/99/571222199.db2.gz OCXZNWNUGGSKNE-LJQANCHMSA-N 1 2 372.444 2.153 40 0 FEABLO O=C(C1=NO[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2)N1CC(F)(C2CC2)C1 ZINC000585101213 571222200 /nfs/dbraw/zinc/22/22/00/571222200.db2.gz OCXZNWNUGGSKNE-LJQANCHMSA-N 1 2 372.444 2.153 40 0 FEABLO O=C(OCCF)N1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(F)cc(F)c1 ZINC000585107853 571225043 /nfs/dbraw/zinc/22/50/43/571225043.db2.gz SIWMZBZTSNBHIE-HOTGVXAUSA-N 1 2 358.360 2.346 40 0 FEABLO O=C(OCCF)N1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(F)cc(F)c1 ZINC000585107853 571225046 /nfs/dbraw/zinc/22/50/46/571225046.db2.gz SIWMZBZTSNBHIE-HOTGVXAUSA-N 1 2 358.360 2.346 40 0 FEABLO Cc1cccc(C[N@H+]2Cc3ccnn3[C@@H](CCNS(=O)(=O)C3CC3)C2)c1 ZINC000585112537 571226284 /nfs/dbraw/zinc/22/62/84/571226284.db2.gz SACYYULJRQNZSF-SFHVURJKSA-N 1 2 374.510 2.220 40 0 FEABLO Cc1cccc(C[N@@H+]2Cc3ccnn3[C@@H](CCNS(=O)(=O)C3CC3)C2)c1 ZINC000585112537 571226285 /nfs/dbraw/zinc/22/62/85/571226285.db2.gz SACYYULJRQNZSF-SFHVURJKSA-N 1 2 374.510 2.220 40 0 FEABLO CCc1cc(C(=O)N2CCC3(CC(N(C)c4cc(C)[nH+]cn4)C3)C2)on1 ZINC000257302720 529512226 /nfs/dbraw/zinc/51/22/26/529512226.db2.gz SDZPZPZOXGJJCS-UHFFFAOYSA-N 1 2 355.442 2.467 40 0 FEABLO OCCCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000328968918 210126679 /nfs/dbraw/zinc/12/66/79/210126679.db2.gz DBHZCKGATVTQQW-UHFFFAOYSA-N 1 2 371.391 2.067 40 0 FEABLO Cc1ncsc1C[N@H+]1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 ZINC000306144137 210058091 /nfs/dbraw/zinc/05/80/91/210058091.db2.gz YXBWSYIMJMGGFO-AWEZNQCLSA-N 1 2 355.471 2.182 40 0 FEABLO Cc1ncsc1C[N@@H+]1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 ZINC000306144137 210058095 /nfs/dbraw/zinc/05/80/95/210058095.db2.gz YXBWSYIMJMGGFO-AWEZNQCLSA-N 1 2 355.471 2.182 40 0 FEABLO CC(C)[N@@H+]1CCO[C@H](c2c3cccnc3sc2C(=O)N(C)CCO)C1 ZINC000019705475 539666269 /nfs/dbraw/zinc/66/62/69/539666269.db2.gz WLFNNKGNNVWDCR-AWEZNQCLSA-N 1 2 363.483 2.142 40 0 FEABLO CC(C)[N@H+]1CCO[C@H](c2c3cccnc3sc2C(=O)N(C)CCO)C1 ZINC000019705475 539666270 /nfs/dbraw/zinc/66/62/70/539666270.db2.gz WLFNNKGNNVWDCR-AWEZNQCLSA-N 1 2 363.483 2.142 40 0 FEABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+]2CC(=O)N(C)C)nc(C)n1 ZINC000257216199 223024197 /nfs/dbraw/zinc/02/41/97/223024197.db2.gz CTNMKRIHLXLCKQ-MRXNPFEDSA-N 1 2 354.458 2.457 40 0 FEABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+]2CC(=O)N(C)C)nc(C)n1 ZINC000257216199 223024201 /nfs/dbraw/zinc/02/42/01/223024201.db2.gz CTNMKRIHLXLCKQ-MRXNPFEDSA-N 1 2 354.458 2.457 40 0 FEABLO Cc1ccc(N(C)[C@H]2COC3(C2)CCN(C(=O)Cn2cc[nH+]c2)CC3)cc1 ZINC000257286556 223051697 /nfs/dbraw/zinc/05/16/97/223051697.db2.gz PLZUZYTWIXGKTK-LJQANCHMSA-N 1 2 368.481 2.478 40 0 FEABLO CCn1c(C)nc2cc(C(=O)N3CC[C@H](O)[C@@H](n4cc[nH+]c4)CC3)ccc21 ZINC000257301214 223058449 /nfs/dbraw/zinc/05/84/49/223058449.db2.gz RXKWBTRFQHRUIU-OALUTQOASA-N 1 2 367.453 2.399 40 0 FEABLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2[C@H]2CCCN2C=O)CC1 ZINC000072216450 541795719 /nfs/dbraw/zinc/79/57/19/541795719.db2.gz IMWHOHDKNARRFM-MRXNPFEDSA-N 1 2 360.458 2.432 40 0 FEABLO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000072378331 541802747 /nfs/dbraw/zinc/80/27/47/541802747.db2.gz GYQVLSQUHJIWCM-QGZVFWFLSA-N 1 2 360.433 2.395 40 0 FEABLO CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000072378331 541802748 /nfs/dbraw/zinc/80/27/48/541802748.db2.gz GYQVLSQUHJIWCM-QGZVFWFLSA-N 1 2 360.433 2.395 40 0 FEABLO C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)Cc1ccc(F)cc1)CC2 ZINC000019706184 211247510 /nfs/dbraw/zinc/24/75/10/211247510.db2.gz OGJOFSDZFJGVOB-QGZVFWFLSA-N 1 2 371.460 2.201 40 0 FEABLO C[N@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)Cc1ccc(F)cc1)CC2 ZINC000019706184 211247514 /nfs/dbraw/zinc/24/75/14/211247514.db2.gz OGJOFSDZFJGVOB-QGZVFWFLSA-N 1 2 371.460 2.201 40 0 FEABLO Cc1[nH+]c(C2CCN(C(=O)CCCn3cncn3)CC2)c2sccn12 ZINC000019240808 211212427 /nfs/dbraw/zinc/21/24/27/211212427.db2.gz PDWZXZZNNRGYPM-UHFFFAOYSA-N 1 2 358.471 2.482 40 0 FEABLO Cn1ccnc1-c1nc(NCC[NH+]2CCOCC2)ncc1-c1cccs1 ZINC000019291682 211211999 /nfs/dbraw/zinc/21/19/99/211211999.db2.gz DRQSRPZYZXSOQO-UHFFFAOYSA-N 1 2 370.482 2.350 40 0 FEABLO O=C1CO[C@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1ccoc1)C2 ZINC000096051296 132217985 /nfs/dbraw/zinc/21/79/85/132217985.db2.gz AOMNHWJMYVNSKX-LJQANCHMSA-N 1 2 360.385 2.053 40 0 FEABLO O=C1CO[C@]2(CN1c1ccc(F)cc1)COCC[N@@H+](Cc1ccoc1)C2 ZINC000096051296 132217987 /nfs/dbraw/zinc/21/79/87/132217987.db2.gz AOMNHWJMYVNSKX-LJQANCHMSA-N 1 2 360.385 2.053 40 0 FEABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)C1CCC1)CCC2 ZINC000096251265 222099880 /nfs/dbraw/zinc/09/98/80/222099880.db2.gz BSYQDAGXGLXZSI-UWJYYQICSA-N 1 2 370.497 2.015 40 0 FEABLO CC(C)Nc1nc(N2CCCC2)[nH+]c2c1CN(Cc1cnn(C)c1)CC2 ZINC000096254248 222102040 /nfs/dbraw/zinc/10/20/40/222102040.db2.gz ARJMLDRHAHOZEW-UHFFFAOYSA-N 1 2 355.490 2.189 40 0 FEABLO Cc1cnc(N2CCc3cc(C(=O)N(C)C)c(NC(C)C)[nH+]c3CC2)nc1 ZINC000096260437 222103186 /nfs/dbraw/zinc/10/31/86/222103186.db2.gz XDAJERAOJLYWFF-UHFFFAOYSA-N 1 2 368.485 2.307 40 0 FEABLO COCCc1ncc(C[NH2+][C@H](c2cc(=O)n3[nH]c(C)cc3n2)C(C)C)cn1 ZINC000100217732 222239704 /nfs/dbraw/zinc/23/97/04/222239704.db2.gz ZXSSMHGOEKDNAU-IBGZPJMESA-N 1 2 370.457 2.209 40 0 FEABLO CCOc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1OCC ZINC000007343499 263350433 /nfs/dbraw/zinc/35/04/33/263350433.db2.gz HBLDQMDDBLRJEX-UHFFFAOYSA-N 1 2 353.444 2.049 40 0 FEABLO Cc1nc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)cc(=O)[nH]1 ZINC000257201905 534503116 /nfs/dbraw/zinc/50/31/16/534503116.db2.gz AJOZSZQKHSGANT-KRWDZBQOSA-N 1 2 351.410 2.454 40 0 FEABLO Cc1nc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)cc(=O)[nH]1 ZINC000257201905 534503123 /nfs/dbraw/zinc/50/31/23/534503123.db2.gz AJOZSZQKHSGANT-KRWDZBQOSA-N 1 2 351.410 2.454 40 0 FEABLO CCOC[C@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)Cc2c[nH+]cn21 ZINC000253380505 549684628 /nfs/dbraw/zinc/68/46/28/549684628.db2.gz AVOPEBLQDKDARY-MRXNPFEDSA-N 1 2 357.410 2.278 40 0 FEABLO Cn1[nH]c(C[N@@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)nc1=O ZINC000329609658 553975917 /nfs/dbraw/zinc/97/59/17/553975917.db2.gz QZKRAFBFNXIOGV-NSHDSACASA-N 1 2 357.241 2.459 40 0 FEABLO Cn1[nH]c(C[N@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)nc1=O ZINC000329609658 553975920 /nfs/dbraw/zinc/97/59/20/553975920.db2.gz QZKRAFBFNXIOGV-NSHDSACASA-N 1 2 357.241 2.459 40 0 FEABLO C[NH+]1CCN(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCCC3)CC1 ZINC000408558593 558687193 /nfs/dbraw/zinc/68/71/93/558687193.db2.gz UXYVGAWJYPYQJQ-UHFFFAOYSA-N 1 2 374.432 2.240 40 0 FEABLO C[C@@H]1c2[nH+]cc(CCOCC3CCC3)n2CCN1C(=O)c1ccnn1C ZINC000585097707 571220520 /nfs/dbraw/zinc/22/05/20/571220520.db2.gz MYJBLYZEFQSYNY-CQSZACIVSA-N 1 2 357.458 2.193 40 0 FEABLO Cn1nccc1C(=O)NCC[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112143 571226091 /nfs/dbraw/zinc/22/60/91/571226091.db2.gz JADZYMFLIOMVQY-CQSZACIVSA-N 1 2 370.482 2.055 40 0 FEABLO Cn1nccc1C(=O)NCC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112143 571226094 /nfs/dbraw/zinc/22/60/94/571226094.db2.gz JADZYMFLIOMVQY-CQSZACIVSA-N 1 2 370.482 2.055 40 0 FEABLO C[C@H](CO)Nc1nc(Nc2ccccc2Br)cc(C2CC2)[nH+]1 ZINC000329017461 210131417 /nfs/dbraw/zinc/13/14/17/210131417.db2.gz NMHZZTQFKKKYCT-SNVBAGLBSA-N 1 2 363.259 2.497 40 0 FEABLO C[C@H](CO)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000328976782 210126890 /nfs/dbraw/zinc/12/68/90/210126890.db2.gz FPTYWQYRHJTPGG-GFCCVEGCSA-N 1 2 371.391 2.065 40 0 FEABLO O=C(COCC[C@H]1C[N@H+](Cc2ccco2)Cc2ccnn21)N1CCCC1 ZINC000306135747 210052870 /nfs/dbraw/zinc/05/28/70/210052870.db2.gz OZQIZIMCPNPBEO-KRWDZBQOSA-N 1 2 358.442 2.062 40 0 FEABLO O=C(COCC[C@H]1C[N@@H+](Cc2ccco2)Cc2ccnn21)N1CCCC1 ZINC000306135747 210052874 /nfs/dbraw/zinc/05/28/74/210052874.db2.gz OZQIZIMCPNPBEO-KRWDZBQOSA-N 1 2 358.442 2.062 40 0 FEABLO Cc1nn(C)cc1C[N@@H+]1CCc2nc3cc(C(C)(C)C)[nH]n3c(=O)c2C1 ZINC000012666921 539568845 /nfs/dbraw/zinc/56/88/45/539568845.db2.gz SNPPXXWWPLFEBS-UHFFFAOYSA-N 1 2 354.458 2.333 40 0 FEABLO Cc1nn(C)cc1C[N@H+]1CCc2nc3cc(C(C)(C)C)[nH]n3c(=O)c2C1 ZINC000012666921 539568848 /nfs/dbraw/zinc/56/88/48/539568848.db2.gz SNPPXXWWPLFEBS-UHFFFAOYSA-N 1 2 354.458 2.333 40 0 FEABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](Cc1ccc3c(c1)CCO3)C2 ZINC000012666406 539568879 /nfs/dbraw/zinc/56/88/79/539568879.db2.gz LLKOANZMVCBEMP-UHFFFAOYSA-N 1 2 360.417 2.325 40 0 FEABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1ccc3c(c1)CCO3)C2 ZINC000012666406 539568883 /nfs/dbraw/zinc/56/88/83/539568883.db2.gz LLKOANZMVCBEMP-UHFFFAOYSA-N 1 2 360.417 2.325 40 0 FEABLO CC(=O)N[C@]12CN(C(C)=O)C[C@H]1CC[N@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC000019713560 539667376 /nfs/dbraw/zinc/66/73/76/539667376.db2.gz RZPDHSFTXAQIAE-CRAIPNDOSA-N 1 2 367.852 2.038 40 0 FEABLO CC(=O)N[C@]12CN(C(C)=O)C[C@H]1CC[N@@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC000019713560 539667378 /nfs/dbraw/zinc/66/73/78/539667378.db2.gz RZPDHSFTXAQIAE-CRAIPNDOSA-N 1 2 367.852 2.038 40 0 FEABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N2CCOCC2)cc1 ZINC000001346365 219397252 /nfs/dbraw/zinc/39/72/52/219397252.db2.gz PMJXXCKSCWCDLZ-UHFFFAOYSA-N 1 2 369.450 2.075 40 0 FEABLO CCOC(=O)c1ccc(N2CC[NH+](C)CC2)c(I)c1 ZINC000039951862 540003375 /nfs/dbraw/zinc/00/33/75/540003375.db2.gz BTRPCLSTPHAKGC-UHFFFAOYSA-N 1 2 374.222 2.220 40 0 FEABLO Cn1cccc1C(=O)N1CCC[C@@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257221127 223026440 /nfs/dbraw/zinc/02/64/40/223026440.db2.gz DNPQIUKKXISDLC-GOSISDBHSA-N 1 2 354.454 2.230 40 0 FEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cccc(-n4cnnc4)c3)C2)[nH+]1 ZINC000257246793 223036005 /nfs/dbraw/zinc/03/60/05/223036005.db2.gz IVVYGOUOPQHHTK-MRXNPFEDSA-N 1 2 350.426 2.329 40 0 FEABLO Cc1nc(Nc2ncccn2)cc([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000257310246 223060436 /nfs/dbraw/zinc/06/04/36/223060436.db2.gz UEJJLVBCALWGDY-AWEZNQCLSA-N 1 2 350.430 2.421 40 0 FEABLO Cc1nc(Nc2ncccn2)cc([C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000257310246 223060437 /nfs/dbraw/zinc/06/04/37/223060437.db2.gz UEJJLVBCALWGDY-AWEZNQCLSA-N 1 2 350.430 2.421 40 0 FEABLO O=C(c1cc([C@H]2CCCC[N@@H+]2Cc2cccnc2)[nH]n1)N1CCOCC1 ZINC000072380498 541802730 /nfs/dbraw/zinc/80/27/30/541802730.db2.gz COUIXUYZTWVOPV-GOSISDBHSA-N 1 2 355.442 2.004 40 0 FEABLO O=C(c1cc([C@H]2CCCC[N@H+]2Cc2cccnc2)[nH]n1)N1CCOCC1 ZINC000072380498 541802731 /nfs/dbraw/zinc/80/27/31/541802731.db2.gz COUIXUYZTWVOPV-GOSISDBHSA-N 1 2 355.442 2.004 40 0 FEABLO Cc1onc(C(C)C)c1C(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257217048 132295070 /nfs/dbraw/zinc/29/50/70/132295070.db2.gz CXEXHONESQEDCN-LJQANCHMSA-N 1 2 358.442 2.263 40 0 FEABLO Cc1ccc(C)c(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000044241766 136121671 /nfs/dbraw/zinc/12/16/71/136121671.db2.gz BNCWBRSYHFWJTP-UHFFFAOYSA-N 1 2 370.526 2.202 40 0 FEABLO Cc1cccc(C[N@H+]2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)n1 ZINC000019236314 136152354 /nfs/dbraw/zinc/15/23/54/136152354.db2.gz GWQONCQDUZHQCI-AWEZNQCLSA-N 1 2 353.470 2.268 40 0 FEABLO Cc1cccc(C[N@@H+]2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)n1 ZINC000019236314 136152355 /nfs/dbraw/zinc/15/23/55/136152355.db2.gz GWQONCQDUZHQCI-AWEZNQCLSA-N 1 2 353.470 2.268 40 0 FEABLO O=C(Cc1ccsc1)N1CC[C@@H]2OCC[N@H+](Cc3ccncc3)[C@H]2C1 ZINC000108532265 543292650 /nfs/dbraw/zinc/29/26/50/543292650.db2.gz BCCFMPCZUMDKDI-ROUUACIJSA-N 1 2 357.479 2.188 40 0 FEABLO O=C(Cc1ccsc1)N1CC[C@@H]2OCC[N@@H+](Cc3ccncc3)[C@H]2C1 ZINC000108532265 543292651 /nfs/dbraw/zinc/29/26/51/543292651.db2.gz BCCFMPCZUMDKDI-ROUUACIJSA-N 1 2 357.479 2.188 40 0 FEABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2cn3cc(Cl)ccc3n2)C1 ZINC000096215193 222080260 /nfs/dbraw/zinc/08/02/60/222080260.db2.gz SZSLOQUGURDAHD-GFCCVEGCSA-N 1 2 359.817 2.103 40 0 FEABLO Fc1cccc(OCCc2cc([C@H]3CN(Cc4[nH]cc[nH+]4)CCO3)[nH]n2)c1 ZINC000257261045 534523483 /nfs/dbraw/zinc/52/34/83/534523483.db2.gz LFMYXNSPLVAAAR-GOSISDBHSA-N 1 2 371.416 2.467 40 0 FEABLO S=C(NCC[NH+]1CCOCC1)Nc1ccc(Oc2ccccc2)nc1 ZINC000223894353 548726289 /nfs/dbraw/zinc/72/62/89/548726289.db2.gz BLFHTIRNKKPKRN-UHFFFAOYSA-N 1 2 358.467 2.493 40 0 FEABLO O=S1(=O)CC[C@H](COc2ncccc2F)C12C[NH+](CC1CCCC1)C2 ZINC000247291404 549311661 /nfs/dbraw/zinc/31/16/61/549311661.db2.gz BCFVRUMMAIJDRQ-OAHLLOKOSA-N 1 2 368.474 2.279 40 0 FEABLO CN(C)C(=O)COCC[C@@H]1CCOC12C[NH+](Cc1ccc(Cl)cc1)C2 ZINC000248024668 549400071 /nfs/dbraw/zinc/40/00/71/549400071.db2.gz RZFBAWZZCINVQE-MRXNPFEDSA-N 1 2 366.889 2.426 40 0 FEABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccno1 ZINC000248136465 549411134 /nfs/dbraw/zinc/41/11/34/549411134.db2.gz NHLFDWUFTWCIAK-INIZCTEOSA-N 1 2 371.437 2.094 40 0 FEABLO Cc1cncc(CO[C@H]2CCOC3(CN(c4cc(N(C)C)[nH+]cn4)C3)C2)c1 ZINC000248147061 549412048 /nfs/dbraw/zinc/41/20/48/549412048.db2.gz WDRSJOKRYYXXDM-KRWDZBQOSA-N 1 2 369.469 2.201 40 0 FEABLO Cc1cncc(CO[C@H]2CCOC3(CN(c4cc(N(C)C)nc[nH+]4)C3)C2)c1 ZINC000248147061 549412051 /nfs/dbraw/zinc/41/20/51/549412051.db2.gz WDRSJOKRYYXXDM-KRWDZBQOSA-N 1 2 369.469 2.201 40 0 FEABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](OCC(=O)N1CCCC1)CCO2 ZINC000253599715 549697662 /nfs/dbraw/zinc/69/76/62/549697662.db2.gz TWFZSXUIHHFFII-INIZCTEOSA-N 1 2 364.511 2.429 40 0 FEABLO O=C(CCn1cc[nH+]c1)N1CCC(c2noc(-c3cccnc3)n2)CC1 ZINC000012087750 539542742 /nfs/dbraw/zinc/54/27/42/539542742.db2.gz WKWQTKOVWRRGCT-UHFFFAOYSA-N 1 2 352.398 2.124 40 0 FEABLO COc1ccc([C@@H](NC(=O)c2ccncc2)c2[nH+]ccn2C)cc1OC ZINC000012221708 539550780 /nfs/dbraw/zinc/55/07/80/539550780.db2.gz QBLZXETYAFSFGP-QGZVFWFLSA-N 1 2 352.394 2.352 40 0 FEABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2F)C3)C[C@@H](C)O1 ZINC000019497605 539658024 /nfs/dbraw/zinc/65/80/24/539658024.db2.gz ZSWSHDIFVDAKBP-ZIAGYGMSSA-N 1 2 372.444 2.081 40 0 FEABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2F)C3)C[C@@H](C)O1 ZINC000019497605 539658030 /nfs/dbraw/zinc/65/80/30/539658030.db2.gz ZSWSHDIFVDAKBP-ZIAGYGMSSA-N 1 2 372.444 2.081 40 0 FEABLO Cc1onc(C(C)C)c1C(=O)N(C)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257279393 223047730 /nfs/dbraw/zinc/04/77/30/223047730.db2.gz OGJARLZJPYXNPL-IBGZPJMESA-N 1 2 358.442 2.215 40 0 FEABLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2OC(F)F)C[C@@]12CCCO2 ZINC000257320583 223064075 /nfs/dbraw/zinc/06/40/75/223064075.db2.gz VXKPGQZFZHMPAE-YJBOKZPZSA-N 1 2 370.396 2.496 40 0 FEABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2OC(F)F)C[C@@]12CCCO2 ZINC000257320583 223064079 /nfs/dbraw/zinc/06/40/79/223064079.db2.gz VXKPGQZFZHMPAE-YJBOKZPZSA-N 1 2 370.396 2.496 40 0 FEABLO Cc1ncsc1C[N@H+]1Cc2ccnn2C[C@H](CNc2ncccn2)C1 ZINC000306144138 223114778 /nfs/dbraw/zinc/11/47/78/223114778.db2.gz YXBWSYIMJMGGFO-CQSZACIVSA-N 1 2 355.471 2.182 40 0 FEABLO Cc1ncsc1C[N@@H+]1Cc2ccnn2C[C@H](CNc2ncccn2)C1 ZINC000306144138 223114780 /nfs/dbraw/zinc/11/47/80/223114780.db2.gz YXBWSYIMJMGGFO-CQSZACIVSA-N 1 2 355.471 2.182 40 0 FEABLO Nc1n[nH]c2nc([C@H]3CCC[N@@H+]3CC(=O)Nc3ccccc3F)ccc12 ZINC000072374507 541803231 /nfs/dbraw/zinc/80/32/31/541803231.db2.gz PJSLZBKESRJLIC-OAHLLOKOSA-N 1 2 354.389 2.455 40 0 FEABLO Nc1n[nH]c2nc([C@H]3CCC[N@H+]3CC(=O)Nc3ccccc3F)ccc12 ZINC000072374507 541803236 /nfs/dbraw/zinc/80/32/36/541803236.db2.gz PJSLZBKESRJLIC-OAHLLOKOSA-N 1 2 354.389 2.455 40 0 FEABLO C[C@@H](C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1)[NH+]1CCOCC1 ZINC000019078222 220236193 /nfs/dbraw/zinc/23/61/93/220236193.db2.gz HMOWVXJCARTLMR-HOTGVXAUSA-N 1 2 350.434 2.164 40 0 FEABLO O=c1[nH]c(N2CCCC2)nc2c1CC[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000019376333 220256196 /nfs/dbraw/zinc/25/61/96/220256196.db2.gz DECIPERJQYLAQE-UHFFFAOYSA-N 1 2 361.449 2.477 40 0 FEABLO O=c1[nH]c(N2CCCC2)nc2c1CC[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000019376333 220256200 /nfs/dbraw/zinc/25/62/00/220256200.db2.gz DECIPERJQYLAQE-UHFFFAOYSA-N 1 2 361.449 2.477 40 0 FEABLO C[C@H](Cn1cnc2ccccc21)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000019457747 220261952 /nfs/dbraw/zinc/26/19/52/220261952.db2.gz BBPAMTJASSLNFK-QGZVFWFLSA-N 1 2 363.465 2.412 40 0 FEABLO CNc1cc([C@@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)cc[nH+]1 ZINC000257316900 533052546 /nfs/dbraw/zinc/05/25/46/533052546.db2.gz VHMLCURAYGMJDL-OAHLLOKOSA-N 1 2 350.426 2.274 40 0 FEABLO COc1ccc(CN2C[C@H]3C[N@H+](Cc4cccnc4)CCN3C2=O)cc1 ZINC000085436191 542727354 /nfs/dbraw/zinc/72/73/54/542727354.db2.gz KMZYYPXIIZIAPI-GOSISDBHSA-N 1 2 352.438 2.212 40 0 biogenic,in-vitro FEABLO COc1ccc(CN2C[C@H]3C[N@@H+](Cc4cccnc4)CCN3C2=O)cc1 ZINC000085436191 542727356 /nfs/dbraw/zinc/72/73/56/542727356.db2.gz KMZYYPXIIZIAPI-GOSISDBHSA-N 1 2 352.438 2.212 40 0 biogenic,in-vitro FEABLO c1cc(CN2CCc3[nH+]c(N4CCOCC4)nc(NC4CC4)c3C2)co1 ZINC000096254132 132224309 /nfs/dbraw/zinc/22/43/09/132224309.db2.gz CIVFHTNRLAXTIK-UHFFFAOYSA-N 1 2 355.442 2.039 40 0 FEABLO CCc1ccccc1NC(=S)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000044241662 136121639 /nfs/dbraw/zinc/12/16/39/136121639.db2.gz ADLDHWMNNYAFAL-UHFFFAOYSA-N 1 2 370.526 2.148 40 0 FEABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)Nc4cccnc4C)O[C@@H]3C2)no1 ZINC000096042859 542988623 /nfs/dbraw/zinc/98/86/23/542988623.db2.gz RNEIXRJFLCQPAF-BMGDILEWSA-N 1 2 356.426 2.305 40 0 FEABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](C(=O)Nc4cccnc4C)O[C@@H]3C2)no1 ZINC000096042859 542988627 /nfs/dbraw/zinc/98/86/27/542988627.db2.gz RNEIXRJFLCQPAF-BMGDILEWSA-N 1 2 356.426 2.305 40 0 FEABLO Cn1c[nH+]c2c1[C@@H](COCC1CCOCC1)CN(C(=O)C1=CCCC1)C2 ZINC000096045021 542988828 /nfs/dbraw/zinc/98/88/28/542988828.db2.gz ILKOIMGGYROQRZ-QGZVFWFLSA-N 1 2 359.470 2.399 40 0 FEABLO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@@H+]1Cc1ccc(C)s1 ZINC000096061109 222007065 /nfs/dbraw/zinc/00/70/65/222007065.db2.gz PVDWJSPXAGSCQK-AWEZNQCLSA-N 1 2 358.471 2.079 40 0 FEABLO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@H+]1Cc1ccc(C)s1 ZINC000096061109 222007068 /nfs/dbraw/zinc/00/70/68/222007068.db2.gz PVDWJSPXAGSCQK-AWEZNQCLSA-N 1 2 358.471 2.079 40 0 FEABLO O=C(c1ccncc1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000096061696 222009594 /nfs/dbraw/zinc/00/95/94/222009594.db2.gz KHLOGVYUSQOEBV-UXHICEINSA-N 1 2 351.450 2.240 40 0 FEABLO Cc1cc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)Nc4cccnc4C)CC[C@H]32)no1 ZINC000096065372 222010868 /nfs/dbraw/zinc/01/08/68/222010868.db2.gz OGXVEZZABNGANA-KURKYZTESA-N 1 2 356.426 2.447 40 0 FEABLO Cc1cc(C[N@H+]2CC[C@H]3O[C@H](C(=O)Nc4cccnc4C)CC[C@H]32)no1 ZINC000096065372 222010870 /nfs/dbraw/zinc/01/08/70/222010870.db2.gz OGXVEZZABNGANA-KURKYZTESA-N 1 2 356.426 2.447 40 0 FEABLO CN(C)C(=O)c1cc2c([nH+]c1NCC1CC1)CCN(c1ccncn1)CC2 ZINC000096260579 222102945 /nfs/dbraw/zinc/10/29/45/222102945.db2.gz NYPZQAXHUJDJKV-UHFFFAOYSA-N 1 2 366.469 2.001 40 0 FEABLO CCN1C(=O)C[C@H](c2ccncc2)C12CC[NH+](Cc1nccn1C)CC2 ZINC000096199995 222073524 /nfs/dbraw/zinc/07/35/24/222073524.db2.gz CYLYJVLAFQVQBO-QGZVFWFLSA-N 1 2 353.470 2.186 40 0 FEABLO O=C(Cc1ccccn1)N1CCC2(C[C@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221310 222085805 /nfs/dbraw/zinc/08/58/05/222085805.db2.gz VMQVOYGYTLGNBY-KRWDZBQOSA-N 1 2 352.438 2.281 40 0 FEABLO O=C(NCC[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)c1cnccn1 ZINC000306143425 534416985 /nfs/dbraw/zinc/41/69/85/534416985.db2.gz YCBBDXBRHOBAQH-CQSZACIVSA-N 1 2 368.466 2.112 40 0 FEABLO O=C(NCC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)c1cnccn1 ZINC000306143425 534416993 /nfs/dbraw/zinc/41/69/93/534416993.db2.gz YCBBDXBRHOBAQH-CQSZACIVSA-N 1 2 368.466 2.112 40 0 FEABLO O=C(CCn1cc[nH+]c1)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257231035 534500707 /nfs/dbraw/zinc/50/07/07/534500707.db2.gz GEYMHEGZIPEBCL-ICSRJNTNSA-N 1 2 355.438 2.250 40 0 FEABLO c1csc(C[N@H+]2Cc3ccnn3C[C@H](CCNc3ncccn3)C2)n1 ZINC000306129441 534522468 /nfs/dbraw/zinc/52/24/68/534522468.db2.gz IDJKNUHZUBQVNX-CQSZACIVSA-N 1 2 355.471 2.264 40 0 FEABLO c1csc(C[N@@H+]2Cc3ccnn3C[C@H](CCNc3ncccn3)C2)n1 ZINC000306129441 534522473 /nfs/dbraw/zinc/52/24/73/534522473.db2.gz IDJKNUHZUBQVNX-CQSZACIVSA-N 1 2 355.471 2.264 40 0 FEABLO Cc1nc2ccccc2n1CCC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257312013 534680776 /nfs/dbraw/zinc/68/07/76/534680776.db2.gz UMAMMJMKAVWMJN-YVWKXTFCSA-N 1 2 367.453 2.202 40 0 FEABLO Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)o1 ZINC000223124745 548715332 /nfs/dbraw/zinc/71/53/32/548715332.db2.gz FPZYWZWHVMIAGE-MSOLQXFVSA-N 1 2 372.494 2.288 40 0 FEABLO O=C(Cc1ccccc1)N1Cc2c[nH+]cn2[C@H](COCC2CCOCC2)C1 ZINC000247805222 549381893 /nfs/dbraw/zinc/38/18/93/549381893.db2.gz AKWNCMZPSPIENJ-FQEVSTJZSA-N 1 2 369.465 2.452 40 0 FEABLO COc1ncccc1CN1Cc2c[nH+]cn2[C@@H](COCC2CCOCC2)C1 ZINC000247825291 549385808 /nfs/dbraw/zinc/38/58/08/549385808.db2.gz FLYSRIOZVZKQAG-LJQANCHMSA-N 1 2 372.469 2.287 40 0 FEABLO O=C(c1cc(C2CC2)on1)N1Cc2c[nH+]cn2[C@H](COc2ccccn2)C1 ZINC000247861581 549386549 /nfs/dbraw/zinc/38/65/49/549386549.db2.gz MWBWVKPIVMCIHT-HNNXBMFYSA-N 1 2 365.393 2.420 40 0 FEABLO Cc1ncsc1C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccnc1)CO2 ZINC000248012492 549400435 /nfs/dbraw/zinc/40/04/35/549400435.db2.gz GKPRAIQGEOIOMR-HNNXBMFYSA-N 1 2 372.494 2.258 40 0 FEABLO CC(C)[C@H](CO)Nc1nc(NCc2cccnc2)cc(-c2cccnc2)[nH+]1 ZINC000329032714 553868482 /nfs/dbraw/zinc/86/84/82/553868482.db2.gz QPDJTWQVMFOQSR-SFHVURJKSA-N 1 2 364.453 2.975 40 0 FEABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COCc2cccnc2)no1 ZINC000585094894 571219776 /nfs/dbraw/zinc/21/97/76/571219776.db2.gz SPGIKVFTWMYNQJ-QGZVFWFLSA-N 1 2 353.426 2.255 40 0 FEABLO Cn1ccc(C(=O)N2Cc3c[nH+]cn3CC[C@@H]2COc2ccccc2)n1 ZINC000585096971 571221218 /nfs/dbraw/zinc/22/12/18/571221218.db2.gz GDVCEDULJYTXLZ-OAHLLOKOSA-N 1 2 351.410 2.110 40 0 FEABLO COCCc1c[nH+]c2n1CCN(C(=O)c1nn(C)c3ccccc31)[C@@H]2C ZINC000585098633 571221447 /nfs/dbraw/zinc/22/14/47/571221447.db2.gz VWPGGKJCDUPFMF-CYBMUJFWSA-N 1 2 353.426 2.176 40 0 FEABLO CN1CC2(CC[NH+](Cc3nccs3)CC2)c2nn(CC3CC3)cc2C1=O ZINC000306138614 530047077 /nfs/dbraw/zinc/04/70/77/530047077.db2.gz SCERUVPVJJGPTQ-UHFFFAOYSA-N 1 2 371.510 2.369 40 0 FEABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccccc3CC)C2=O)C1 ZINC000017073965 539639349 /nfs/dbraw/zinc/63/93/49/539639349.db2.gz FQQHFOVURRVTII-RDJZCZTQSA-N 1 2 358.438 2.156 40 0 FEABLO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccccc3CC)C2=O)C1 ZINC000017073965 539639352 /nfs/dbraw/zinc/63/93/52/539639352.db2.gz FQQHFOVURRVTII-RDJZCZTQSA-N 1 2 358.438 2.156 40 0 FEABLO O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC(=O)Nc2ccccc21 ZINC000022531758 539695921 /nfs/dbraw/zinc/69/59/21/539695921.db2.gz DEOOZVHKPWNACD-UHFFFAOYSA-N 1 2 351.406 2.118 40 0 FEABLO COC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2C)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000034087016 539976137 /nfs/dbraw/zinc/97/61/37/539976137.db2.gz DPPLEOROVGYKEO-UGSOOPFHSA-N 1 2 373.453 2.351 40 0 FEABLO COC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000034087016 539976139 /nfs/dbraw/zinc/97/61/39/539976139.db2.gz DPPLEOROVGYKEO-UGSOOPFHSA-N 1 2 373.453 2.351 40 0 FEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)CCn3nnc4ccccc43)C2)[nH+]1 ZINC000257201129 223016801 /nfs/dbraw/zinc/01/68/01/223016801.db2.gz AGKYBMBBWVEMLE-HNNXBMFYSA-N 1 2 352.442 2.270 40 0 FEABLO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000257202304 223017487 /nfs/dbraw/zinc/01/74/87/223017487.db2.gz ALFCEEVWQMOBRQ-AWEZNQCLSA-N 1 2 371.466 2.295 40 0 FEABLO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000257202304 223017490 /nfs/dbraw/zinc/01/74/90/223017490.db2.gz ALFCEEVWQMOBRQ-AWEZNQCLSA-N 1 2 371.466 2.295 40 0 FEABLO O=C(N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O)c1ccc(N2CCCC2)cc1 ZINC000257285853 223051015 /nfs/dbraw/zinc/05/10/15/223051015.db2.gz PJEGPIPUELFNQQ-GUDVDZBRSA-N 1 2 354.454 2.368 40 0 FEABLO Cc1[nH+]c([C@@H]2CCCN(C(=O)[C@H](C)Cn3cncn3)C2)c2sccn12 ZINC000019240725 220243988 /nfs/dbraw/zinc/24/39/88/220243988.db2.gz VZFYAWDPJGQWDT-TZMCWYRMSA-N 1 2 358.471 2.338 40 0 FEABLO O=c1[nH]c(-c2cnccn2)nc2c1C[N@H+](Cc1cccc(F)c1F)CC2 ZINC000019292755 220246966 /nfs/dbraw/zinc/24/69/66/220246966.db2.gz ONCGJCXLUFVMSY-UHFFFAOYSA-N 1 2 355.348 2.063 40 0 FEABLO O=c1[nH]c(-c2cnccn2)nc2c1C[N@@H+](Cc1cccc(F)c1F)CC2 ZINC000019292755 220246969 /nfs/dbraw/zinc/24/69/69/220246969.db2.gz ONCGJCXLUFVMSY-UHFFFAOYSA-N 1 2 355.348 2.063 40 0 FEABLO CNc1cc([C@H]2CCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)cc[nH+]1 ZINC000257231524 533054619 /nfs/dbraw/zinc/05/46/19/533054619.db2.gz GHDFHVLWQPLFGG-INIZCTEOSA-N 1 2 353.426 2.497 40 0 FEABLO CN(C)c1cc(N2CCC[C@@](C)(C(=O)NCc3ccccc3)C2)nc[nH+]1 ZINC000257302014 132296866 /nfs/dbraw/zinc/29/68/66/132296866.db2.gz SAZGSLDVMXYEIB-HXUWFJFHSA-N 1 2 353.470 2.466 40 0 FEABLO CN(C)c1cc(N2CCC[C@@](C)(C(=O)NCc3ccccc3)C2)[nH+]cn1 ZINC000257302014 132296867 /nfs/dbraw/zinc/29/68/67/132296867.db2.gz SAZGSLDVMXYEIB-HXUWFJFHSA-N 1 2 353.470 2.466 40 0 FEABLO CCOCC[N@H+]1Cc2ncn(C)c2[C@@H](COCc2csc(C)n2)C1 ZINC000096045043 542989252 /nfs/dbraw/zinc/98/92/52/542989252.db2.gz LRIQLZFTUULUPV-CQSZACIVSA-N 1 2 350.488 2.338 40 0 FEABLO CCOCC[N@@H+]1Cc2ncn(C)c2[C@@H](COCc2csc(C)n2)C1 ZINC000096045043 542989255 /nfs/dbraw/zinc/98/92/55/542989255.db2.gz LRIQLZFTUULUPV-CQSZACIVSA-N 1 2 350.488 2.338 40 0 FEABLO F[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1OCc1nc2cccnc2[nH]1 ZINC000096112147 222029033 /nfs/dbraw/zinc/02/90/33/222029033.db2.gz YSJSSGBWSBICFZ-DYVFJYSZSA-N 1 2 370.384 2.426 40 0 biogenic,in-vitro FEABLO F[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1OCc1nc2cccnc2[nH]1 ZINC000096112147 222029038 /nfs/dbraw/zinc/02/90/38/222029038.db2.gz YSJSSGBWSBICFZ-DYVFJYSZSA-N 1 2 370.384 2.426 40 0 biogenic,in-vitro FEABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2C2COC2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111779 222029695 /nfs/dbraw/zinc/02/96/95/222029695.db2.gz YGIFGTJQIBYAPF-HKUYNNGSSA-N 1 2 350.418 2.454 40 0 biogenic,in-vitro FEABLO O=C1[C@@H]2C[C@@H](C[N@H+]2C2COC2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111779 222029696 /nfs/dbraw/zinc/02/96/96/222029696.db2.gz YGIFGTJQIBYAPF-HKUYNNGSSA-N 1 2 350.418 2.454 40 0 biogenic,in-vitro FEABLO Cc1ccc(C[N@@H+]2CCO[C@@]3(C2)COCCN(Cc2ccncc2)C3)o1 ZINC000096049834 222000692 /nfs/dbraw/zinc/00/06/92/222000692.db2.gz KKHDHXGDNYCBEF-FQEVSTJZSA-N 1 2 357.454 2.086 40 0 FEABLO Cc1ccc(C[N@H+]2CCO[C@@]3(C2)COCCN(Cc2ccncc2)C3)o1 ZINC000096049834 222000695 /nfs/dbraw/zinc/00/06/95/222000695.db2.gz KKHDHXGDNYCBEF-FQEVSTJZSA-N 1 2 357.454 2.086 40 0 FEABLO O=S(=O)(c1cccs1)N1CCCn2cnc(C[NH+]3CCCC3)c2C1 ZINC000096259332 222103397 /nfs/dbraw/zinc/10/33/97/222103397.db2.gz JUANCKHTHMVTPK-UHFFFAOYSA-N 1 2 366.512 2.135 40 0 FEABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)COC)CC2 ZINC000096145001 222047442 /nfs/dbraw/zinc/04/74/42/222047442.db2.gz YWWVUCFRXXHJNV-UHFFFAOYSA-N 1 2 368.481 2.350 40 0 FEABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)COC)CC2 ZINC000096145001 222047445 /nfs/dbraw/zinc/04/74/45/222047445.db2.gz YWWVUCFRXXHJNV-UHFFFAOYSA-N 1 2 368.481 2.350 40 0 FEABLO CSc1nnc([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C2)n1C ZINC000245230062 526229704 /nfs/dbraw/zinc/22/97/04/526229704.db2.gz KWVPCEYTUUHIGH-RBSFLKMASA-N 1 2 365.547 2.411 40 0 FEABLO CSc1nnc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C2)n1C ZINC000245230062 526229708 /nfs/dbraw/zinc/22/97/08/526229708.db2.gz KWVPCEYTUUHIGH-RBSFLKMASA-N 1 2 365.547 2.411 40 0 FEABLO CC(=O)N1CC[N@H+](Cc2cnc[nH]2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257204637 526627679 /nfs/dbraw/zinc/62/76/79/526627679.db2.gz AVQFFYQRQJCLLX-KRWDZBQOSA-N 1 2 363.465 2.481 40 0 FEABLO CC(=O)N1CC[N@@H+](Cc2cnc[nH]2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257204637 526627686 /nfs/dbraw/zinc/62/76/86/526627686.db2.gz AVQFFYQRQJCLLX-KRWDZBQOSA-N 1 2 363.465 2.481 40 0 FEABLO O=C(C[C@@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21)N1CCC1 ZINC000247863256 549386200 /nfs/dbraw/zinc/38/62/00/549386200.db2.gz NLEUGXYPQLEFLU-LJQANCHMSA-N 1 2 354.454 2.079 40 0 FEABLO O=C(C[C@@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21)N1CCC1 ZINC000247863256 549386201 /nfs/dbraw/zinc/38/62/01/549386201.db2.gz NLEUGXYPQLEFLU-LJQANCHMSA-N 1 2 354.454 2.079 40 0 FEABLO CN(C)C(=O)COCC[C@H]1CCOC12C[NH+](Cc1ccc(Cl)cc1)C2 ZINC000248024665 549400366 /nfs/dbraw/zinc/40/03/66/549400366.db2.gz RZFBAWZZCINVQE-INIZCTEOSA-N 1 2 366.889 2.426 40 0 FEABLO Cc1cccc(CO[C@@H]2CCOC3(CN(c4cc(N(C)C)[nH+]cn4)C3)C2)n1 ZINC000248141197 549410340 /nfs/dbraw/zinc/41/03/40/549410340.db2.gz TZRBXQWYADTCCI-QGZVFWFLSA-N 1 2 369.469 2.201 40 0 FEABLO Cc1cccc(CO[C@@H]2CCOC3(CN(c4cc(N(C)C)nc[nH+]4)C3)C2)n1 ZINC000248141197 549410343 /nfs/dbraw/zinc/41/03/43/549410343.db2.gz TZRBXQWYADTCCI-QGZVFWFLSA-N 1 2 369.469 2.201 40 0 FEABLO CCn1cc(C[NH+]2CC3(C2)OCC[C@H]3CCOCc2ccncc2)cn1 ZINC000249688278 549616580 /nfs/dbraw/zinc/61/65/80/549616580.db2.gz IGBSYYRZDFITAI-LJQANCHMSA-N 1 2 356.470 2.496 40 0 FEABLO Cc1noc(C)c1C[NH+]1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccncc1 ZINC000252019492 549661786 /nfs/dbraw/zinc/66/17/86/549661786.db2.gz XLHBGHROXXEMBV-KRWDZBQOSA-N 1 2 370.453 2.097 40 0 FEABLO C[C@@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@H+]1Cc1cn[nH]c1 ZINC000585097408 571220631 /nfs/dbraw/zinc/22/06/31/571220631.db2.gz LHVBOQDPYSRUOR-LLVKDONJSA-N 1 2 359.821 2.205 40 0 FEABLO C[C@@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585097408 571220632 /nfs/dbraw/zinc/22/06/32/571220632.db2.gz LHVBOQDPYSRUOR-LLVKDONJSA-N 1 2 359.821 2.205 40 0 FEABLO CN(C)c1cc([C@H]2CCCN(C(=O)c3cnn4cccnc34)C2)cc[nH+]1 ZINC000257344413 529774183 /nfs/dbraw/zinc/77/41/83/529774183.db2.gz ZXCJNWQTEJLCRF-HNNXBMFYSA-N 1 2 350.426 2.210 40 0 FEABLO CCC(C)(C)n1nnnc1C[NH+]1CCC(n2cnc3cccnc32)CC1 ZINC000012114674 539543825 /nfs/dbraw/zinc/54/38/25/539543825.db2.gz VWAQNJIPZVUUOK-UHFFFAOYSA-N 1 2 354.462 2.400 40 0 FEABLO CN(C)c1ccc(NC(=O)C[NH+]2CCC(O)(c3ccccn3)CC2)cc1 ZINC000012114357 539543484 /nfs/dbraw/zinc/54/34/84/539543484.db2.gz WNPABSYNYYVAQO-UHFFFAOYSA-N 1 2 354.454 2.070 40 0 FEABLO CCOc1cc(CN2CCc3c(N)nc(N4CCCC4)[nH+]c3C2)ccc1O ZINC000012142843 539545689 /nfs/dbraw/zinc/54/56/89/539545689.db2.gz VGTHOHWMXYUZNG-UHFFFAOYSA-N 1 2 369.469 2.322 40 0 FEABLO CCOc1cc(C[N@@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)ccc1O ZINC000012142843 539545693 /nfs/dbraw/zinc/54/56/93/539545693.db2.gz VGTHOHWMXYUZNG-UHFFFAOYSA-N 1 2 369.469 2.322 40 0 FEABLO CCOc1cc(C[N@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)ccc1O ZINC000012142843 539545698 /nfs/dbraw/zinc/54/56/98/539545698.db2.gz VGTHOHWMXYUZNG-UHFFFAOYSA-N 1 2 369.469 2.322 40 0 FEABLO COc1ccc(NC(=O)CN2c3ccccc3C3=[NH+]CCCN3C2=O)cn1 ZINC000012142828 539545975 /nfs/dbraw/zinc/54/59/75/539545975.db2.gz KSMGTJZSYRIXQV-UHFFFAOYSA-N 1 2 365.393 2.121 40 0 FEABLO COc1cccc([C@@H](NC(=O)c2cccnc2)c2[nH+]ccn2C)c1OC ZINC000012221712 539550511 /nfs/dbraw/zinc/55/05/11/539550511.db2.gz QINFFURQGYADFM-MRXNPFEDSA-N 1 2 352.394 2.352 40 0 FEABLO CCN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc(C)ncc1C(=O)NC1CC1 ZINC000019766924 539669317 /nfs/dbraw/zinc/66/93/17/539669317.db2.gz HHLAWGSQFFWTDB-QGZVFWFLSA-N 1 2 373.501 2.073 40 0 FEABLO CCN(CC)C(=O)C[N@H+]1CCCC[C@@H]1c1nc(C)ncc1C(=O)NC1CC1 ZINC000019766924 539669320 /nfs/dbraw/zinc/66/93/20/539669320.db2.gz HHLAWGSQFFWTDB-QGZVFWFLSA-N 1 2 373.501 2.073 40 0 FEABLO COc1cccc(-c2cc3nc(C)cc(NCC[NH+]4CCOCC4)n3n2)c1 ZINC000035314445 539980482 /nfs/dbraw/zinc/98/04/82/539980482.db2.gz DPUNRXHWVPLPGK-UHFFFAOYSA-N 1 2 367.453 2.457 40 0 FEABLO CC(C)(C)OC(=O)NCC[NH+]1CCN(C(=O)OCc2ccccc2)CC1 ZINC000044137893 540118466 /nfs/dbraw/zinc/11/84/66/540118466.db2.gz CZPWUUGEWNJQKG-UHFFFAOYSA-N 1 2 363.458 2.466 40 0 FEABLO Cc1nccnc1CC[C@H]1COCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000257298803 223056769 /nfs/dbraw/zinc/05/67/69/223056769.db2.gz RNIXTRJYUSFHNA-KRWDZBQOSA-N 1 2 355.438 2.390 40 0 FEABLO Cc1nccnc1CC[C@H]1COCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000257298803 223056772 /nfs/dbraw/zinc/05/67/72/223056772.db2.gz RNIXTRJYUSFHNA-KRWDZBQOSA-N 1 2 355.438 2.390 40 0 FEABLO Cn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1ccccc1Cl ZINC000058152675 540829930 /nfs/dbraw/zinc/82/99/30/540829930.db2.gz IDMRVRDVVOXRNV-UHFFFAOYSA-N 1 2 365.890 2.002 40 0 FEABLO OCCNc1nc(Nc2ccc(F)cc2Br)cc(C2CC2)[nH+]1 ZINC000329027996 223130138 /nfs/dbraw/zinc/13/01/38/223130138.db2.gz PTMYDCHDOUODEE-UHFFFAOYSA-N 1 2 367.222 2.247 40 0 FEABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(O)cc2)C3)C[C@H](C)O1 ZINC000072347234 541801097 /nfs/dbraw/zinc/80/10/97/541801097.db2.gz IUHFVSSZAQESPK-KBPBESRZSA-N 1 2 370.453 2.060 40 0 FEABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(O)cc2)C3)C[C@H](C)O1 ZINC000072347234 541801101 /nfs/dbraw/zinc/80/11/01/541801101.db2.gz IUHFVSSZAQESPK-KBPBESRZSA-N 1 2 370.453 2.060 40 0 FEABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 ZINC000072379189 541803080 /nfs/dbraw/zinc/80/30/80/541803080.db2.gz ZTYGDSNRZIXUAH-OAHLLOKOSA-N 1 2 363.487 2.334 40 0 FEABLO COC(=O)C1=C(C[N@@H+]2CCCC[C@H]2C)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000013566222 220074538 /nfs/dbraw/zinc/07/45/38/220074538.db2.gz DPPLEOROVGYKEO-FZKQIMNGSA-N 1 2 373.453 2.351 40 0 FEABLO COC(=O)C1=C(C[N@H+]2CCCC[C@H]2C)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000013566222 220074541 /nfs/dbraw/zinc/07/45/41/220074541.db2.gz DPPLEOROVGYKEO-FZKQIMNGSA-N 1 2 373.453 2.351 40 0 FEABLO O=c1[nH]c(-c2cnccn2)nc2c1C[N@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000019292960 220245495 /nfs/dbraw/zinc/24/54/95/220245495.db2.gz RVECCIUFHFMGNB-UHFFFAOYSA-N 1 2 355.348 2.063 40 0 FEABLO O=c1[nH]c(-c2cnccn2)nc2c1C[N@@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000019292960 220245500 /nfs/dbraw/zinc/24/55/00/220245500.db2.gz RVECCIUFHFMGNB-UHFFFAOYSA-N 1 2 355.348 2.063 40 0 FEABLO C[C@@H](CC(=O)N1CCC[C@@]2(C1)CNC(=O)c1ccccc1O2)n1cc[nH+]c1 ZINC000019455273 220257971 /nfs/dbraw/zinc/25/79/71/220257971.db2.gz UFXHMFGXZVQPKL-YWZLYKJASA-N 1 2 368.437 2.018 40 0 FEABLO CC[NH+]1CCN(C(=O)[C@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 ZINC000019527786 220268284 /nfs/dbraw/zinc/26/82/84/220268284.db2.gz ALKFUBDKEXSQQR-LDBRAYGESA-N 1 2 354.450 2.211 40 0 FEABLO C[NH+]1CCN(C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)CC1 ZINC000019589792 220277734 /nfs/dbraw/zinc/27/77/34/220277734.db2.gz YOAJJZSUBPRRHO-UHFFFAOYSA-N 1 2 372.494 2.034 40 0 FEABLO Cc1onc(C(C)C)c1C(=O)N1CCc2nnc([C@@H]3CCC[N@@H+]3C)n2CC1 ZINC000019706324 220285594 /nfs/dbraw/zinc/28/55/94/220285594.db2.gz OTXYBRPEOHJDFC-AWEZNQCLSA-N 1 2 372.473 2.163 40 0 FEABLO Cc1onc(C(C)C)c1C(=O)N1CCc2nnc([C@@H]3CCC[N@H+]3C)n2CC1 ZINC000019706324 220285597 /nfs/dbraw/zinc/28/55/97/220285597.db2.gz OTXYBRPEOHJDFC-AWEZNQCLSA-N 1 2 372.473 2.163 40 0 FEABLO O=S(=O)(c1ccc2c(c1)CCN2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000078403693 542460722 /nfs/dbraw/zinc/46/07/22/542460722.db2.gz QGIXFVYDDKTLFU-UHFFFAOYSA-N 1 2 357.479 2.161 40 0 FEABLO NC(=O)C1CC[NH+]([C@H](c2nnnn2C2CCCCC2)c2ccccc2)CC1 ZINC000057669506 221092112 /nfs/dbraw/zinc/09/21/12/221092112.db2.gz YTHKIKDZTDQGLF-SFHVURJKSA-N 1 2 368.485 2.465 40 0 FEABLO COc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3[nH+]ccn3C)n2)cc1 ZINC000072321975 221466542 /nfs/dbraw/zinc/46/65/42/221466542.db2.gz ABEWVTGCSUGJBA-KRWDZBQOSA-N 1 2 353.426 2.392 40 0 biogenic,in-vitro FEABLO Fc1cnc(N2CCO[C@H]3C[N@H+](Cc4ccc(Cl)c(F)c4)C[C@H]32)nc1 ZINC000096248857 132224335 /nfs/dbraw/zinc/22/43/35/132224335.db2.gz XANRUAOXMYCYBV-CVEARBPZSA-N 1 2 366.799 2.498 40 0 FEABLO Fc1cnc(N2CCO[C@H]3C[N@@H+](Cc4ccc(Cl)c(F)c4)C[C@H]32)nc1 ZINC000096248857 132224336 /nfs/dbraw/zinc/22/43/36/132224336.db2.gz XANRUAOXMYCYBV-CVEARBPZSA-N 1 2 366.799 2.498 40 0 FEABLO CCc1noc(C)c1C(=O)N(C)C[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257233231 132295481 /nfs/dbraw/zinc/29/54/81/132295481.db2.gz GOIYJUNZSLWYCH-IBGZPJMESA-N 1 2 358.442 2.044 40 0 FEABLO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@@H](CO)C(C)C)[nH+]cn1)C2 ZINC000328984942 132372161 /nfs/dbraw/zinc/37/21/61/132372161.db2.gz HRAWMGBKZFEAJQ-KRWDZBQOSA-N 1 2 370.453 2.255 40 0 FEABLO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@@H](CO)C(C)C)nc[nH+]1)C2 ZINC000328984942 132372162 /nfs/dbraw/zinc/37/21/62/132372162.db2.gz HRAWMGBKZFEAJQ-KRWDZBQOSA-N 1 2 370.453 2.255 40 0 FEABLO Cc1nnc(N2Cc3[nH+]cn(C)c3[C@H](COCc3cccnc3)C2)s1 ZINC000096045028 542989268 /nfs/dbraw/zinc/98/92/68/542989268.db2.gz IEFPWNJJHJLCOM-AWEZNQCLSA-N 1 2 356.455 2.296 40 0 FEABLO Cn1cnc2c1[C@@H](COCC1CCOCC1)C[N@H+](Cc1ccncc1)C2 ZINC000096044985 542989123 /nfs/dbraw/zinc/98/91/23/542989123.db2.gz CJNNGGMFTBXTQE-GOSISDBHSA-N 1 2 356.470 2.358 40 0 FEABLO Cn1cnc2c1[C@@H](COCC1CCOCC1)C[N@@H+](Cc1ccncc1)C2 ZINC000096044985 542989127 /nfs/dbraw/zinc/98/91/27/542989127.db2.gz CJNNGGMFTBXTQE-GOSISDBHSA-N 1 2 356.470 2.358 40 0 FEABLO CNC(=O)N1CCC2(CC1)c1ncc(-c3cccc(F)c3)n1CC[N@H+]2C ZINC000096144952 222047423 /nfs/dbraw/zinc/04/74/23/222047423.db2.gz GIHVIZSJXDDCRV-UHFFFAOYSA-N 1 2 357.433 2.265 40 0 FEABLO CNC(=O)N1CCC2(CC1)c1ncc(-c3cccc(F)c3)n1CC[N@@H+]2C ZINC000096144952 222047426 /nfs/dbraw/zinc/04/74/26/222047426.db2.gz GIHVIZSJXDDCRV-UHFFFAOYSA-N 1 2 357.433 2.265 40 0 FEABLO CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1ccc(C)cc1 ZINC000147935696 263455942 /nfs/dbraw/zinc/45/59/42/263455942.db2.gz KYKMDZOUTBGKRB-UHFFFAOYSA-N 1 2 359.499 2.140 40 0 FEABLO Cc1ncc(CNC(=O)c2[nH]nc3c2CCCC3)c([C@H]2CCC[N@H+]2C)n1 ZINC000257199821 534739944 /nfs/dbraw/zinc/73/99/44/534739944.db2.gz AAXQAIPUEZQJOJ-MRXNPFEDSA-N 1 2 354.458 2.084 40 0 FEABLO Cc1ncc(CNC(=O)c2[nH]nc3c2CCCC3)c([C@H]2CCC[N@@H+]2C)n1 ZINC000257199821 534739952 /nfs/dbraw/zinc/73/99/52/534739952.db2.gz AAXQAIPUEZQJOJ-MRXNPFEDSA-N 1 2 354.458 2.084 40 0 FEABLO CSc1nnc([C@@H]2CCC[N@H+](CC(=O)N[C@H]3CCCC[C@@H]3C)C2)n1C ZINC000245230063 526229871 /nfs/dbraw/zinc/22/98/71/526229871.db2.gz KWVPCEYTUUHIGH-ZNMIVQPWSA-N 1 2 365.547 2.411 40 0 FEABLO CSc1nnc([C@@H]2CCC[N@@H+](CC(=O)N[C@H]3CCCC[C@@H]3C)C2)n1C ZINC000245230063 526229874 /nfs/dbraw/zinc/22/98/74/526229874.db2.gz KWVPCEYTUUHIGH-ZNMIVQPWSA-N 1 2 365.547 2.411 40 0 FEABLO CC(=O)NCc1cnc([C@@H]2C[N@H+](Cc3cccc4[nH]ccc43)CCO2)[nH]1 ZINC000257309879 526815988 /nfs/dbraw/zinc/81/59/88/526815988.db2.gz UCTKYPMNJKCJSM-SFHVURJKSA-N 1 2 353.426 2.101 40 0 FEABLO CC(=O)NCc1cnc([C@@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CCO2)[nH]1 ZINC000257309879 526815996 /nfs/dbraw/zinc/81/59/96/526815996.db2.gz UCTKYPMNJKCJSM-SFHVURJKSA-N 1 2 353.426 2.101 40 0 FEABLO CN(C)C(=O)CO[C@@H]1CCOC2(C[NH+](Cc3ccc(Cl)cc3)C2)C1 ZINC000247985308 549398101 /nfs/dbraw/zinc/39/81/01/549398101.db2.gz KKTQQNMSAQMHTM-MRXNPFEDSA-N 1 2 352.862 2.178 40 0 FEABLO Cc1ncsc1C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccn1C)CO2 ZINC000248128516 549409433 /nfs/dbraw/zinc/40/94/33/549409433.db2.gz MMACAZGKZXIMAP-OAHLLOKOSA-N 1 2 374.510 2.201 40 0 FEABLO Cc1noc(C)c1CN1Cc2c[nH+]cn2[C@H](C(=O)NCc2cccs2)C1 ZINC000252008922 549662321 /nfs/dbraw/zinc/66/23/21/549662321.db2.gz QPZSSAQDPAINOH-KRWDZBQOSA-N 1 2 371.466 2.423 40 0 FEABLO Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)Nc1ccccc1 ZINC000409408942 570758466 /nfs/dbraw/zinc/75/84/66/570758466.db2.gz FGRHTWHMZNJZMH-UHFFFAOYSA-N 1 2 373.478 2.183 40 0 FEABLO Cn1c[nH+]c2c1C[C@H](COc1ncccn1)N(C(=O)C1=CCCCC1)C2 ZINC000585094626 571219595 /nfs/dbraw/zinc/21/95/95/571219595.db2.gz FYXVTKWYEHCVOO-OAHLLOKOSA-N 1 2 353.426 2.043 40 0 FEABLO CCOC[C@@H]1CCn2c[nH+]cc2CN1C(=O)c1cccc2c1OCCO2 ZINC000585097782 571220642 /nfs/dbraw/zinc/22/06/42/571220642.db2.gz PRTGKONOXBRAER-AWEZNQCLSA-N 1 2 357.410 2.106 40 0 FEABLO C[C@H]1c2[nH+]cc(CCOc3ccccn3)n2CCN1Cc1cnn(C)c1 ZINC000585098276 571220838 /nfs/dbraw/zinc/22/08/38/571220838.db2.gz SVRTVTKLKMDVOG-HNNXBMFYSA-N 1 2 352.442 2.210 40 0 FEABLO CNC(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Nc2nc(C)c(C)s2)C1 ZINC000257217276 529862655 /nfs/dbraw/zinc/86/26/55/529862655.db2.gz CYHWPIFTYJWFDT-CYBMUJFWSA-N 1 2 360.487 2.219 40 0 FEABLO CNC(=O)C[N@H+]1CCC[C@@H](c2nccnc2Nc2nc(C)c(C)s2)C1 ZINC000257217276 529862656 /nfs/dbraw/zinc/86/26/56/529862656.db2.gz CYHWPIFTYJWFDT-CYBMUJFWSA-N 1 2 360.487 2.219 40 0 FEABLO OCC[N@@H+]1CCO[C@](O)(c2cc(-c3ccccc3)nc3ccccc32)C1 ZINC000008581565 539489201 /nfs/dbraw/zinc/48/92/01/539489201.db2.gz VWNMNPOOYFEGIH-NRFANRHFSA-N 1 2 350.418 2.371 40 0 FEABLO OCC[N@H+]1CCO[C@](O)(c2cc(-c3ccccc3)nc3ccccc32)C1 ZINC000008581565 539489206 /nfs/dbraw/zinc/48/92/06/539489206.db2.gz VWNMNPOOYFEGIH-NRFANRHFSA-N 1 2 350.418 2.371 40 0 FEABLO C[NH+]1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000026441443 539786710 /nfs/dbraw/zinc/78/67/10/539786710.db2.gz GSGPWWXGUNKFLT-UHFFFAOYSA-N 1 2 352.847 2.256 40 0 FEABLO COc1ccc(-c2cnn3c2ncc(C(=O)N2CC[NH+](C)CC2)c3C)cc1 ZINC000038829642 540000686 /nfs/dbraw/zinc/00/06/86/540000686.db2.gz BPBLYPWYEQRLKP-UHFFFAOYSA-N 1 2 365.437 2.101 40 0 FEABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@@H]2[C@H]1CCCC(=O)N2C ZINC000257237311 223032385 /nfs/dbraw/zinc/03/23/85/223032385.db2.gz HFXHCVVDMRWFDW-HZPDHXFCSA-N 1 2 354.454 2.187 40 0 FEABLO CO[C@@H]1CCCOC12CCN(C(=O)c1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000257240177 223033755 /nfs/dbraw/zinc/03/37/55/223033755.db2.gz HSLJNNUCTLECQV-MRXNPFEDSA-N 1 2 356.426 2.068 40 0 FEABLO O=C(c1cc(C2CC2)on1)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306125409 223107459 /nfs/dbraw/zinc/10/74/59/223107459.db2.gz CPJSXQAGZDNBGG-JJRVBVJISA-N 1 2 354.410 2.146 40 0 FEABLO Cc1ncsc1C(=O)N1CCC(c2cncc(-n3cc[nH+]c3)n2)CC1 ZINC000072355420 541801540 /nfs/dbraw/zinc/80/15/40/541801540.db2.gz RYQVSAGHBXOUCJ-UHFFFAOYSA-N 1 2 354.439 2.447 40 0 FEABLO CC[NH+]1CCN(C(=O)[C@@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 ZINC000019527785 220268702 /nfs/dbraw/zinc/26/87/02/220268702.db2.gz ALKFUBDKEXSQQR-DZJZLKLXSA-N 1 2 354.450 2.211 40 0 FEABLO COCCCN1C[NH+]=C2NC3(CCCC3)n3c4ccccc4nc3N2C1 ZINC000020676366 220338985 /nfs/dbraw/zinc/33/89/85/220338985.db2.gz YJQFRZBUWPKMMK-UHFFFAOYSA-N 1 2 354.458 2.296 40 0 FEABLO O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)NCCCn1cc[nH+]c1 ZINC000036635270 220824456 /nfs/dbraw/zinc/82/44/56/220824456.db2.gz SJZMNNWNKMNFPB-CQSZACIVSA-N 1 2 358.423 2.048 40 0 FEABLO O=C1N(C2CCOCC2)C[C@H]2C[N@H+](Cc3cnc4ccccc4c3)CCN12 ZINC000085436228 542727104 /nfs/dbraw/zinc/72/71/04/542727104.db2.gz WVMFNPMPNLHBOR-LJQANCHMSA-N 1 2 366.465 2.336 40 0 biogenic,in-vitro FEABLO O=C1N(C2CCOCC2)C[C@H]2C[N@@H+](Cc3cnc4ccccc4c3)CCN12 ZINC000085436228 542727109 /nfs/dbraw/zinc/72/71/09/542727109.db2.gz WVMFNPMPNLHBOR-LJQANCHMSA-N 1 2 366.465 2.336 40 0 biogenic,in-vitro FEABLO CC(C)Nc1nc(N2CCOCC2)[nH+]c2c1CN(Cc1ccoc1)CC2 ZINC000096254274 132224156 /nfs/dbraw/zinc/22/41/56/132224156.db2.gz NWHHUBGWYBJXCE-UHFFFAOYSA-N 1 2 357.458 2.285 40 0 FEABLO Cn1c[nH+]c2c1[C@@H](COCC1CCOCC1)CN(Cc1ccccn1)C2 ZINC000096044981 542989494 /nfs/dbraw/zinc/98/94/94/542989494.db2.gz FHUHHZVNFXQBOZ-QGZVFWFLSA-N 1 2 356.470 2.358 40 0 FEABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096111913 222029191 /nfs/dbraw/zinc/02/91/91/222029191.db2.gz DYWOPQFWZLMJLB-HOCLYGCPSA-N 1 2 352.390 2.414 40 0 biogenic,in-vitro FEABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096111913 222029193 /nfs/dbraw/zinc/02/91/93/222029193.db2.gz DYWOPQFWZLMJLB-HOCLYGCPSA-N 1 2 352.390 2.414 40 0 biogenic,in-vitro FEABLO Cc1ccc(N2C[C@]3(COCC[N@H+](Cc4ccoc4)C3)OCC2=O)s1 ZINC000096051454 222001904 /nfs/dbraw/zinc/00/19/04/222001904.db2.gz HHDRHCNNHSWCOW-GOSISDBHSA-N 1 2 362.451 2.284 40 0 FEABLO Cc1ccc(N2C[C@]3(COCC[N@@H+](Cc4ccoc4)C3)OCC2=O)s1 ZINC000096051454 222001907 /nfs/dbraw/zinc/00/19/07/222001907.db2.gz HHDRHCNNHSWCOW-GOSISDBHSA-N 1 2 362.451 2.284 40 0 FEABLO O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096076320 222014051 /nfs/dbraw/zinc/01/40/51/222014051.db2.gz FGMZZPNUGDABGZ-HXUWFJFHSA-N 1 2 358.486 2.252 40 0 FEABLO O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096076320 222014053 /nfs/dbraw/zinc/01/40/53/222014053.db2.gz FGMZZPNUGDABGZ-HXUWFJFHSA-N 1 2 358.486 2.252 40 0 FEABLO O=C([C@H]1CCCO1)N1CCC(F)(F)[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096239634 222096113 /nfs/dbraw/zinc/09/61/13/222096113.db2.gz YHYQYMJCZMHPQM-RHSMWYFYSA-N 1 2 351.397 2.325 40 0 FEABLO CCC(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251438 222099642 /nfs/dbraw/zinc/09/96/42/222099642.db2.gz GUIXTWRTVGIGPX-UWJYYQICSA-N 1 2 370.497 2.063 40 0 FEABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)CC1 ZINC000104346202 222355866 /nfs/dbraw/zinc/35/58/66/222355866.db2.gz NQLWYFZDXOVUAU-KRWDZBQOSA-N 1 2 358.438 2.210 40 0 FEABLO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@H+](CC(N)=O)[C@H]1CCCC(=O)N2 ZINC000257270073 534189983 /nfs/dbraw/zinc/18/99/83/534189983.db2.gz MSRFILBJDWHDKO-ZQIUZPCESA-N 1 2 369.387 2.365 40 0 FEABLO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@@H+](CC(N)=O)[C@H]1CCCC(=O)N2 ZINC000257270073 534189987 /nfs/dbraw/zinc/18/99/87/534189987.db2.gz MSRFILBJDWHDKO-ZQIUZPCESA-N 1 2 369.387 2.365 40 0 FEABLO Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000012113141 518193660 /nfs/dbraw/zinc/19/36/60/518193660.db2.gz JVYIIPDPMYNNJG-UHFFFAOYSA-N 1 2 360.433 2.098 40 0 FEABLO OCCCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000328987077 534362000 /nfs/dbraw/zinc/36/20/00/534362000.db2.gz IAPWRXQBAQEHDV-UHFFFAOYSA-N 1 2 371.391 2.067 40 0 FEABLO CC(=O)Nc1cc(C(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)ccn1 ZINC000257229023 526911832 /nfs/dbraw/zinc/91/18/32/526911832.db2.gz FWIFFLPKEOFOIA-INIZCTEOSA-N 1 2 353.426 2.478 40 0 FEABLO CC(C)c1cc(C(=O)N(C)C[C@@]2(O)CCCN(c3cccc[nH+]3)C2)on1 ZINC000257310869 535343332 /nfs/dbraw/zinc/34/33/32/535343332.db2.gz UGYZTEHGPGZPSX-IBGZPJMESA-N 1 2 358.442 2.297 40 0 FEABLO Cc1cc(CN2Cc3c[nH+]cn3[C@H](C(=O)NCCc3cccs3)C2)no1 ZINC000247939238 549393376 /nfs/dbraw/zinc/39/33/76/549393376.db2.gz UBDAHAFMNJOSPX-KRWDZBQOSA-N 1 2 371.466 2.157 40 0 FEABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@H]2CCNC(=O)c1cccn1C ZINC000248131720 549409235 /nfs/dbraw/zinc/40/92/35/549409235.db2.gz NLQHHJNGBBVBKR-OAHLLOKOSA-N 1 2 374.510 2.201 40 0 FEABLO COC(=O)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCO)n2)cc1 ZINC000328969936 571130954 /nfs/dbraw/zinc/13/09/54/571130954.db2.gz DGSZFOLTULUOSK-UHFFFAOYSA-N 1 2 364.405 3.078 40 0 FEABLO C[C@H]1c2[nH+]cc(CCOCC3CCOCC3)n2CCN1Cc1cn[nH]c1 ZINC000585097261 571220394 /nfs/dbraw/zinc/22/03/94/571220394.db2.gz HDHRZVKPJBIQRS-HNNXBMFYSA-N 1 2 359.474 2.169 40 0 FEABLO C[C@H]1c2ncc(CCOCC3CCOCC3)n2CC[N@H+]1Cc1cn[nH]c1 ZINC000585097261 571220396 /nfs/dbraw/zinc/22/03/96/571220396.db2.gz HDHRZVKPJBIQRS-HNNXBMFYSA-N 1 2 359.474 2.169 40 0 FEABLO C[C@H]1c2ncc(CCOCC3CCOCC3)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585097261 571220399 /nfs/dbraw/zinc/22/03/99/571220399.db2.gz HDHRZVKPJBIQRS-HNNXBMFYSA-N 1 2 359.474 2.169 40 0 FEABLO CCS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccccc3Cl)C2)OC1 ZINC000585104765 571224077 /nfs/dbraw/zinc/22/40/77/571224077.db2.gz MEBVRQXFYWIGKP-AWEZNQCLSA-N 1 2 372.918 2.260 40 0 FEABLO COc1ccc2cc(C[N@H+](C)[C@]3(C)CCS(=O)(=O)C3)c(OC)nc2c1 ZINC000012118280 539545141 /nfs/dbraw/zinc/54/51/41/539545141.db2.gz CINJZHJLZXTQLN-GOSISDBHSA-N 1 2 364.467 2.261 40 0 FEABLO COc1ccc2cc(C[N@@H+](C)[C@]3(C)CCS(=O)(=O)C3)c(OC)nc2c1 ZINC000012118280 539545143 /nfs/dbraw/zinc/54/51/43/539545143.db2.gz CINJZHJLZXTQLN-GOSISDBHSA-N 1 2 364.467 2.261 40 0 FEABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(F)cc2)C3)C[C@@H](C)O1 ZINC000019497587 539658565 /nfs/dbraw/zinc/65/85/65/539658565.db2.gz LOTAVFGYBMYJGD-ZIAGYGMSSA-N 1 2 372.444 2.493 40 0 FEABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(F)cc2)C3)C[C@@H](C)O1 ZINC000019497587 539658569 /nfs/dbraw/zinc/65/85/69/539658569.db2.gz LOTAVFGYBMYJGD-ZIAGYGMSSA-N 1 2 372.444 2.493 40 0 FEABLO Cc1onc(C(C)C)c1C(=O)N(C)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257279394 223048968 /nfs/dbraw/zinc/04/89/68/223048968.db2.gz OGJARLZJPYXNPL-LJQANCHMSA-N 1 2 358.442 2.215 40 0 FEABLO Cc1cc2nccc(C3CCN(C(=O)CCCn4cc[nH+]c4)CC3)n2n1 ZINC000257316171 223063494 /nfs/dbraw/zinc/06/34/94/223063494.db2.gz VEKZXZIZMQYAPU-UHFFFAOYSA-N 1 2 352.442 2.421 40 0 FEABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@H+](Cc4ccoc4)C[C@@H]2S3(=O)=O)cn1 ZINC000306142109 223113133 /nfs/dbraw/zinc/11/31/33/223113133.db2.gz WPTPLYHQMNHJMP-HKUYNNGSSA-N 1 2 369.446 2.435 40 0 FEABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@@H+](Cc4ccoc4)C[C@@H]2S3(=O)=O)cn1 ZINC000306142109 223113136 /nfs/dbraw/zinc/11/31/36/223113136.db2.gz WPTPLYHQMNHJMP-HKUYNNGSSA-N 1 2 369.446 2.435 40 0 FEABLO OCCNc1nc(NCc2cccc(Cl)c2)cc(-c2ccncc2)[nH+]1 ZINC000329065395 223131686 /nfs/dbraw/zinc/13/16/86/223131686.db2.gz XQXZHWDSOYXWOQ-UHFFFAOYSA-N 1 2 355.829 2.052 40 0 FEABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](Cc1ccc3nccnc3c1)C2 ZINC000012666313 220016831 /nfs/dbraw/zinc/01/68/31/220016831.db2.gz SDJHTOLSLWARPZ-UHFFFAOYSA-N 1 2 370.416 2.333 40 0 FEABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1ccc3nccnc3c1)C2 ZINC000012666313 220016834 /nfs/dbraw/zinc/01/68/34/220016834.db2.gz SDJHTOLSLWARPZ-UHFFFAOYSA-N 1 2 370.416 2.333 40 0 FEABLO COC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2C)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000013566221 220075270 /nfs/dbraw/zinc/07/52/70/220075270.db2.gz DPPLEOROVGYKEO-SCLBCKFNSA-N 1 2 373.453 2.351 40 0 FEABLO COC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000013566221 220075272 /nfs/dbraw/zinc/07/52/72/220075272.db2.gz DPPLEOROVGYKEO-SCLBCKFNSA-N 1 2 373.453 2.351 40 0 FEABLO CNc1cc([C@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)cc[nH+]1 ZINC000257316899 533055351 /nfs/dbraw/zinc/05/53/51/533055351.db2.gz VHMLCURAYGMJDL-HNNXBMFYSA-N 1 2 350.426 2.274 40 0 FEABLO CNc1nccnc1[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000257274101 533089389 /nfs/dbraw/zinc/08/93/89/533089389.db2.gz NJOLMPJFYNJAGD-MRXNPFEDSA-N 1 2 350.426 2.482 40 0 FEABLO CNc1nccnc1[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000257274101 533089395 /nfs/dbraw/zinc/08/93/95/533089395.db2.gz NJOLMPJFYNJAGD-MRXNPFEDSA-N 1 2 350.426 2.482 40 0 FEABLO COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000021303719 220356004 /nfs/dbraw/zinc/35/60/04/220356004.db2.gz JRBYMRQNQUJCFN-KRWDZBQOSA-N 1 2 351.406 2.245 40 0 FEABLO Cc1ccccc1C(=O)N1CCN(c2ccc([NH3+])cc2-n2cnnc2)CC1 ZINC000070461826 136138423 /nfs/dbraw/zinc/13/84/23/136138423.db2.gz RFQBJVVLZWERDS-UHFFFAOYSA-N 1 2 362.437 2.120 40 0 FEABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1cccnc1)C2 ZINC000096111946 222029643 /nfs/dbraw/zinc/02/96/43/222029643.db2.gz HNOYFFSNVJBSOZ-WMZOPIPTSA-N 1 2 353.422 2.097 40 0 biogenic,in-vitro FEABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1cccnc1)C2 ZINC000096111946 222029646 /nfs/dbraw/zinc/02/96/46/222029646.db2.gz HNOYFFSNVJBSOZ-WMZOPIPTSA-N 1 2 353.422 2.097 40 0 biogenic,in-vitro FEABLO O=C(c1cnccn1)N1CCC(F)(F)[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096239621 222094818 /nfs/dbraw/zinc/09/48/18/222094818.db2.gz LUJPJROQNMUKSA-KRWDZBQOSA-N 1 2 359.380 2.250 40 0 FEABLO Cn1ccnc1C[N@@H+]1CCOC[C@@]2(C[C@H](CNc3cccc(F)c3)CO2)C1 ZINC000096240422 222095435 /nfs/dbraw/zinc/09/54/35/222095435.db2.gz PFRRPCMROYPUSO-OXQOHEQNSA-N 1 2 374.460 2.279 40 0 FEABLO Cn1ccnc1C[N@H+]1CCOC[C@@]2(C[C@H](CNc3cccc(F)c3)CO2)C1 ZINC000096240422 222095437 /nfs/dbraw/zinc/09/54/37/222095437.db2.gz PFRRPCMROYPUSO-OXQOHEQNSA-N 1 2 374.460 2.279 40 0 FEABLO Cn1cc[nH+]c1CN1CCOC[C@@]2(C[C@H](CNc3cccc(F)c3)CO2)C1 ZINC000096240422 222095441 /nfs/dbraw/zinc/09/54/41/222095441.db2.gz PFRRPCMROYPUSO-OXQOHEQNSA-N 1 2 374.460 2.279 40 0 FEABLO COc1ccc(C(=O)N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)cc1 ZINC000096144963 222047693 /nfs/dbraw/zinc/04/76/93/222047693.db2.gz TYFDMKLLCSFACD-UHFFFAOYSA-N 1 2 354.454 2.277 40 0 FEABLO Cc1cnc(C(=O)N2Cc3c[nH+]cn3C[C@@H](COCC3CCC3)C2)cn1 ZINC000096206620 222075696 /nfs/dbraw/zinc/07/56/96/222075696.db2.gz WFRFDLTUJNYISR-INIZCTEOSA-N 1 2 355.442 2.070 40 0 FEABLO c1cc(C[N@@H+]2CCO[C@]3(C2)COCCN(Cc2ccncc2)C3)cs1 ZINC000096229438 222091448 /nfs/dbraw/zinc/09/14/48/222091448.db2.gz CJGLNTXTOHWIQP-LJQANCHMSA-N 1 2 359.495 2.247 40 0 FEABLO c1cc(C[N@H+]2CCO[C@]3(C2)COCCN(Cc2ccncc2)C3)cs1 ZINC000096229438 222091451 /nfs/dbraw/zinc/09/14/51/222091451.db2.gz CJGLNTXTOHWIQP-LJQANCHMSA-N 1 2 359.495 2.247 40 0 FEABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2=O)CC1 ZINC000104278573 222353736 /nfs/dbraw/zinc/35/37/36/222353736.db2.gz FWNXQMOUUFLIQH-KRWDZBQOSA-N 1 2 358.438 2.210 40 0 FEABLO CS(=O)(=O)NC[C@@H]1CN(Cc2cccc3ccccc32)Cc2c[nH+]cn21 ZINC000247514780 549348735 /nfs/dbraw/zinc/34/87/35/549348735.db2.gz JONMQSWCMCTRIM-GOSISDBHSA-N 1 2 370.478 2.142 40 0 FEABLO O=C(c1ccc(N2CCCC2)cc1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257230448 534710753 /nfs/dbraw/zinc/71/07/53/534710753.db2.gz GCJUXLDXRNZYBP-OALUTQOASA-N 1 2 354.454 2.322 40 0 FEABLO CCNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NCCCO)n1 ZINC000329023068 528006289 /nfs/dbraw/zinc/00/62/89/528006289.db2.gz ORXBYKBGYANFJR-UHFFFAOYSA-N 1 2 356.348 2.112 40 0 FEABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccco2)N1CCC[NH+]1CCOCC1 ZINC000223167438 548717145 /nfs/dbraw/zinc/71/71/45/548717145.db2.gz SBJJNBOGLWFBNZ-MSOLQXFVSA-N 1 2 372.494 2.369 40 0 FEABLO Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000248092415 549405871 /nfs/dbraw/zinc/40/58/71/549405871.db2.gz LRLMULBDBHJHAL-MRXNPFEDSA-N 1 2 362.437 2.366 40 0 FEABLO CCS(=O)(=O)NCC[C@H]1C[N@H+](Cc2ccc(C)cc2)Cc2ccnn21 ZINC000585112675 571226270 /nfs/dbraw/zinc/22/62/70/571226270.db2.gz VDYVUKFSKXYYTK-SFHVURJKSA-N 1 2 362.499 2.078 40 0 FEABLO CCS(=O)(=O)NCC[C@H]1C[N@@H+](Cc2ccc(C)cc2)Cc2ccnn21 ZINC000585112675 571226271 /nfs/dbraw/zinc/22/62/71/571226271.db2.gz VDYVUKFSKXYYTK-SFHVURJKSA-N 1 2 362.499 2.078 40 0 FEABLO Cc1nc2cc(-c3nccn3C)nn2c(NCCCn2cc[nH+]c2)c1C ZINC000012087626 539542789 /nfs/dbraw/zinc/54/27/89/539542789.db2.gz LDZDIJBWEAZERI-UHFFFAOYSA-N 1 2 350.430 2.445 40 0 FEABLO COc1ccc([C@@H](NC(=O)[C@]2(C)CCCO2)c2[nH+]ccn2C)cc1OC ZINC000012147208 539546706 /nfs/dbraw/zinc/54/67/06/539546706.db2.gz WZNNEEYECHUGEG-APWZRJJASA-N 1 2 359.426 2.212 40 0 FEABLO Cc1nc(-c2cncnc2[C@H]2C[N@H+](Cc3cnc(C)s3)CCO2)no1 ZINC000019693763 539665219 /nfs/dbraw/zinc/66/52/19/539665219.db2.gz OIBWSVARBYWNRM-CQSZACIVSA-N 1 2 358.427 2.173 40 0 FEABLO Cc1nc(-c2cncnc2[C@H]2C[N@@H+](Cc3cnc(C)s3)CCO2)no1 ZINC000019693763 539665223 /nfs/dbraw/zinc/66/52/23/539665223.db2.gz OIBWSVARBYWNRM-CQSZACIVSA-N 1 2 358.427 2.173 40 0 FEABLO Cn1cc2c(n1)[C@@H](C(=O)Nc1ccccc1F)CN(Cc1[nH]cc[nH+]1)C2 ZINC000019701563 539665392 /nfs/dbraw/zinc/66/53/92/539665392.db2.gz FDTVQAVQKZDLSX-ZDUSSCGKSA-N 1 2 354.389 2.020 40 0 FEABLO Cn1cc2c(n1)[C@@H](C(=O)Nc1ccccc1F)C[N@@H+](Cc1ncc[nH]1)C2 ZINC000019701563 539665394 /nfs/dbraw/zinc/66/53/94/539665394.db2.gz FDTVQAVQKZDLSX-ZDUSSCGKSA-N 1 2 354.389 2.020 40 0 FEABLO Cn1cc2c(n1)[C@@H](C(=O)Nc1ccccc1F)C[N@H+](Cc1ncc[nH]1)C2 ZINC000019701563 539665398 /nfs/dbraw/zinc/66/53/98/539665398.db2.gz FDTVQAVQKZDLSX-ZDUSSCGKSA-N 1 2 354.389 2.020 40 0 FEABLO CNc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc2c1C(=O)CCC2 ZINC000020478151 539675185 /nfs/dbraw/zinc/67/51/85/539675185.db2.gz HIJXACSQKBQRNZ-UHFFFAOYSA-N 1 2 351.454 2.360 40 0 FEABLO CCOC(=O)N1CC[NH+](C[C@@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000035088665 539979025 /nfs/dbraw/zinc/97/90/25/539979025.db2.gz YYURVCYQHWNCOP-BBWFWOEESA-N 1 2 356.507 2.353 40 0 FEABLO COc1ccc(-c2cc3nc(C)cc(NCC[NH+]4CCOCC4)n3n2)cc1 ZINC000035315212 539980765 /nfs/dbraw/zinc/98/07/65/539980765.db2.gz WCAXBDAOJPKXQQ-UHFFFAOYSA-N 1 2 367.453 2.457 40 0 FEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cccc(-n4cnnc4)c3)C2)[nH+]1 ZINC000257246792 223036363 /nfs/dbraw/zinc/03/63/63/223036363.db2.gz IVVYGOUOPQHHTK-INIZCTEOSA-N 1 2 350.426 2.329 40 0 FEABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)s1 ZINC000257271460 223046282 /nfs/dbraw/zinc/04/62/82/223046282.db2.gz MYKRVMFFWXPFLG-QGZVFWFLSA-N 1 2 368.466 2.459 40 0 FEABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)s1 ZINC000257271460 223046286 /nfs/dbraw/zinc/04/62/86/223046286.db2.gz MYKRVMFFWXPFLG-QGZVFWFLSA-N 1 2 368.466 2.459 40 0 FEABLO Cn1cc[nH+]c1CN1CCC[C@@H]1c1cccc(C(=O)Nc2cnccn2)n1 ZINC000257274372 223047239 /nfs/dbraw/zinc/04/72/39/223047239.db2.gz NKTKWNNMDZPNNP-MRXNPFEDSA-N 1 2 363.425 2.195 40 0 FEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)Cn3ccc(C(F)(F)F)n3)C2)[nH+]1 ZINC000257310285 223060821 /nfs/dbraw/zinc/06/08/21/223060821.db2.gz UEMPNGINVBUBSL-GFCCVEGCSA-N 1 2 355.364 2.350 40 0 FEABLO Cc1cc(C[N@H+]2Cc3ccnn3C[C@H](CCNc3ncccn3)C2)no1 ZINC000306124126 223107047 /nfs/dbraw/zinc/10/70/47/223107047.db2.gz BGTFTZHJKLTFMI-OAHLLOKOSA-N 1 2 353.430 2.104 40 0 FEABLO Cc1cc(C[N@@H+]2Cc3ccnn3C[C@H](CCNc3ncccn3)C2)no1 ZINC000306124126 223107049 /nfs/dbraw/zinc/10/70/49/223107049.db2.gz BGTFTZHJKLTFMI-OAHLLOKOSA-N 1 2 353.430 2.104 40 0 FEABLO O=C(COc1ccccc1)N1CCC(c2cncc(-n3cc[nH+]c3)n2)CC1 ZINC000072355414 541801221 /nfs/dbraw/zinc/80/12/21/541801221.db2.gz BCIRTYIEQOEWMO-UHFFFAOYSA-N 1 2 363.421 2.447 40 0 FEABLO C[N@@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)CCc1ccccc1)CC2 ZINC000072380128 541802735 /nfs/dbraw/zinc/80/27/35/541802735.db2.gz SDJYTURCONLGDD-KRWDZBQOSA-N 1 2 353.470 2.062 40 0 FEABLO C[N@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)CCc1ccccc1)CC2 ZINC000072380128 541802736 /nfs/dbraw/zinc/80/27/36/541802736.db2.gz SDJYTURCONLGDD-KRWDZBQOSA-N 1 2 353.470 2.062 40 0 FEABLO COc1ccc(NC2=[NH+][C@@H](C(=O)Nc3ccc(F)cc3)C=C(O)N2)cc1 ZINC000014607657 220126981 /nfs/dbraw/zinc/12/69/81/220126981.db2.gz OOCNKKLJBYCIHU-OAHLLOKOSA-N 1 2 356.357 2.129 40 0 FEABLO O=C(CSc1nncc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000019141775 220238316 /nfs/dbraw/zinc/23/83/16/220238316.db2.gz PBCHRZVQPXQDSO-UHFFFAOYSA-N 1 2 365.462 2.466 40 0 FEABLO Cc1[nH+]c([C@@H]2CCCN(C(=O)CCCn3cncn3)C2)c2sccn12 ZINC000019240737 220242733 /nfs/dbraw/zinc/24/27/33/220242733.db2.gz DPYAQWHXGIWLJU-CQSZACIVSA-N 1 2 358.471 2.482 40 0 FEABLO COCCN(CCOC)c1nc(C)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000019286156 220245349 /nfs/dbraw/zinc/24/53/49/220245349.db2.gz IHWBWSTYJVQCDL-UHFFFAOYSA-N 1 2 370.497 2.443 40 0 FEABLO COCCN(CCOC)c1nc(C)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000019286156 220245351 /nfs/dbraw/zinc/24/53/51/220245351.db2.gz IHWBWSTYJVQCDL-UHFFFAOYSA-N 1 2 370.497 2.443 40 0 FEABLO Cn1ccnc1-c1cnc(NCC[NH+]2CCOCC2)nc1-c1cccs1 ZINC000019291800 220245561 /nfs/dbraw/zinc/24/55/61/220245561.db2.gz NYEQFQUOYGFLQT-UHFFFAOYSA-N 1 2 370.482 2.350 40 0 FEABLO c1csc(-c2nc(NCC[NH+]3CCOCC3)ncc2-c2cnccn2)c1 ZINC000019343959 220251562 /nfs/dbraw/zinc/25/15/62/220251562.db2.gz UNSGPQRLXHDJDB-UHFFFAOYSA-N 1 2 368.466 2.406 40 0 FEABLO CCc1cc(NCC[NH+]2CCOCC2)n2nc3nc(C)cc(C)c3c2n1 ZINC000019522194 220266586 /nfs/dbraw/zinc/26/65/86/220266586.db2.gz ZXENJGAPSRHTQP-UHFFFAOYSA-N 1 2 354.458 2.201 40 0 FEABLO CCCc1cc(C(=O)N2CC[NH+](CCOc3ccc(F)cc3)CC2)[nH]n1 ZINC000019525228 220266704 /nfs/dbraw/zinc/26/67/04/220266704.db2.gz YPJHOJRTECYCCS-UHFFFAOYSA-N 1 2 360.433 2.338 40 0 FEABLO Cn1cnc2c1[C@H](COCC1CCOCC1)C[N@H+](Cc1ccncc1)C2 ZINC000096044984 542989025 /nfs/dbraw/zinc/98/90/25/542989025.db2.gz CJNNGGMFTBXTQE-SFHVURJKSA-N 1 2 356.470 2.358 40 0 FEABLO Cn1cnc2c1[C@H](COCC1CCOCC1)C[N@@H+](Cc1ccncc1)C2 ZINC000096044984 542989028 /nfs/dbraw/zinc/98/90/28/542989028.db2.gz CJNNGGMFTBXTQE-SFHVURJKSA-N 1 2 356.470 2.358 40 0 FEABLO Cc1ccc(N2C[C@@]3(COCC[N@H+](Cc4ccoc4)C3)OCC2=O)s1 ZINC000096051455 222002010 /nfs/dbraw/zinc/00/20/10/222002010.db2.gz HHDRHCNNHSWCOW-SFHVURJKSA-N 1 2 362.451 2.284 40 0 FEABLO Cc1ccc(N2C[C@@]3(COCC[N@@H+](Cc4ccoc4)C3)OCC2=O)s1 ZINC000096051455 222002013 /nfs/dbraw/zinc/00/20/13/222002013.db2.gz HHDRHCNNHSWCOW-SFHVURJKSA-N 1 2 362.451 2.284 40 0 FEABLO Fc1ccc(C[N@@H+]2CCO[C@@]3(C2)COCCN(Cc2ccncc2)C3)cc1 ZINC000096049838 222002106 /nfs/dbraw/zinc/00/21/06/222002106.db2.gz OMYZCDMXYWWKKC-NRFANRHFSA-N 1 2 371.456 2.324 40 0 FEABLO Fc1ccc(C[N@H+]2CCO[C@@]3(C2)COCCN(Cc2ccncc2)C3)cc1 ZINC000096049838 222002111 /nfs/dbraw/zinc/00/21/11/222002111.db2.gz OMYZCDMXYWWKKC-NRFANRHFSA-N 1 2 371.456 2.324 40 0 FEABLO Cn1c(C(=O)NCc2ccncc2)nc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000096147097 222048895 /nfs/dbraw/zinc/04/88/95/222048895.db2.gz VDDDSRWYEMIMJP-UHFFFAOYSA-N 1 2 361.449 2.303 40 0 FEABLO Cn1c(C(=O)NCc2ccncc2)nc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000096147097 222048897 /nfs/dbraw/zinc/04/88/97/222048897.db2.gz VDDDSRWYEMIMJP-UHFFFAOYSA-N 1 2 361.449 2.303 40 0 FEABLO CCOc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1C(C)C ZINC000101370780 222272265 /nfs/dbraw/zinc/27/22/65/222272265.db2.gz YHRWQZYVVSJFJO-UHFFFAOYSA-O 1 2 352.480 2.193 40 0 FEABLO Cc1cc(N)cc([C@@H]2C[N@H+](Cc3ccccc3OCC(=O)[O-])CCO2)[nH+]1 ZINC000257245083 533886332 /nfs/dbraw/zinc/88/63/32/533886332.db2.gz IOAQWNMOWDXZCY-SFHVURJKSA-N 1 2 357.410 2.009 40 0 FEABLO Cc1cc(N)cc([C@@H]2C[N@@H+](Cc3ccccc3OCC(=O)[O-])CCO2)[nH+]1 ZINC000257245083 533886339 /nfs/dbraw/zinc/88/63/39/533886339.db2.gz IOAQWNMOWDXZCY-SFHVURJKSA-N 1 2 357.410 2.009 40 0 FEABLO O=S1(=O)N[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2N(CC2CC2)c2ccccc21 ZINC000306126056 534877075 /nfs/dbraw/zinc/87/70/75/534877075.db2.gz DKUXKWXVADZSOV-AEFFLSMTSA-N 1 2 373.478 2.041 40 0 FEABLO O=S1(=O)N[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]2N(CC2CC2)c2ccccc21 ZINC000306126056 534877078 /nfs/dbraw/zinc/87/70/78/534877078.db2.gz DKUXKWXVADZSOV-AEFFLSMTSA-N 1 2 373.478 2.041 40 0 FEABLO CC(C)n1c(Cl)nc2cc(C(=O)NCC[NH+]3CCOCC3)ccc21 ZINC000225987954 548746315 /nfs/dbraw/zinc/74/63/15/548746315.db2.gz HAKDQBVTHRRTJY-UHFFFAOYSA-N 1 2 350.850 2.333 40 0 FEABLO O=S(=O)(c1ccccc1)N1CC2(C1)OCC[C@@H]2CCNc1cccc[nH+]1 ZINC000247305052 549314193 /nfs/dbraw/zinc/31/41/93/549314193.db2.gz GNSZUIOGIVYPAH-INIZCTEOSA-N 1 2 373.478 2.363 40 0 FEABLO O=C(CO[C@@H]1CCOC2(C[NH+](Cc3ccc(F)cc3)C2)C1)N1CCCC1 ZINC000247725319 549374453 /nfs/dbraw/zinc/37/44/53/549374453.db2.gz CGVFYTRBLKNIIV-GOSISDBHSA-N 1 2 362.445 2.198 40 0 FEABLO O=C(c1ccc2c(c1)OCO2)N1Cc2c[nH+]cn2[C@H](COCC2CC2)C1 ZINC000247827895 549385257 /nfs/dbraw/zinc/38/52/57/549385257.db2.gz JQRRAAFMTHMGDE-INIZCTEOSA-N 1 2 355.394 2.236 40 0 FEABLO Cc1noc(C)c1C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccco1)CO2 ZINC000252011080 549662131 /nfs/dbraw/zinc/66/21/31/549662131.db2.gz SBWINZJFWRZTIV-OAHLLOKOSA-N 1 2 359.426 2.295 40 0 FEABLO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000514289251 560033197 /nfs/dbraw/zinc/03/31/97/560033197.db2.gz GRPNXYNYTNSFBT-BEFAXECRSA-N 1 2 370.380 2.272 40 0 biogenic,in-vitro FEABLO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000514289251 560033198 /nfs/dbraw/zinc/03/31/98/560033198.db2.gz GRPNXYNYTNSFBT-BEFAXECRSA-N 1 2 370.380 2.272 40 0 biogenic,in-vitro FEABLO Cc1cccc(OC[C@@]2(O)CCCN(C(=O)CCCn3cc[nH+]c3)C2)c1 ZINC000585272715 570487038 /nfs/dbraw/zinc/48/70/38/570487038.db2.gz PUEJGNHBNZMROL-HXUWFJFHSA-N 1 2 357.454 2.404 40 0 FEABLO C[N@H+](CC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1)Cc1ccncc1 ZINC000585276134 570488397 /nfs/dbraw/zinc/48/83/97/570488397.db2.gz MKKAPBFEKHAWIT-PMACEKPBSA-N 1 2 353.466 2.108 40 0 FEABLO C[N@@H+](CC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1)Cc1ccncc1 ZINC000585276134 570488401 /nfs/dbraw/zinc/48/84/01/570488401.db2.gz MKKAPBFEKHAWIT-PMACEKPBSA-N 1 2 353.466 2.108 40 0 FEABLO Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@@H](C(=O)NCc3ccco3)C2)c1 ZINC000585096102 571220941 /nfs/dbraw/zinc/22/09/41/571220941.db2.gz RJOBJCWBZVAJEU-GOSISDBHSA-N 1 2 364.405 2.298 40 0 FEABLO COc1ccc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000004952502 539397830 /nfs/dbraw/zinc/39/78/30/539397830.db2.gz HVEHUZIXLQQIAD-UHFFFAOYSA-N 1 2 353.422 2.335 40 0 FEABLO COCCNc1ccc(-c2noc([C@@H]3CCCN3Cc3[nH]cc[nH+]3)n2)cn1 ZINC000035425245 539982746 /nfs/dbraw/zinc/98/27/46/539982746.db2.gz BOQROUPGBHRMCO-AWEZNQCLSA-N 1 2 369.429 2.250 40 0 biogenic,in-vitro FEABLO CN1CC[N@H+](Cc2cnc(N3CCOCC3)s2)[C@H](c2ccccc2)C1 ZINC000036751991 539994321 /nfs/dbraw/zinc/99/43/21/539994321.db2.gz BFUKLFFOAKQICV-SFHVURJKSA-N 1 2 358.511 2.468 40 0 FEABLO CN1CC[N@@H+](Cc2cnc(N3CCOCC3)s2)[C@H](c2ccccc2)C1 ZINC000036751991 539994322 /nfs/dbraw/zinc/99/43/22/539994322.db2.gz BFUKLFFOAKQICV-SFHVURJKSA-N 1 2 358.511 2.468 40 0 FEABLO OCCNc1nc(NCc2ccccc2Cl)cc(-c2ccncc2)[nH+]1 ZINC000329066139 223131772 /nfs/dbraw/zinc/13/17/72/223131772.db2.gz XXJZAGSXYRAYES-UHFFFAOYSA-N 1 2 355.829 2.052 40 0 FEABLO NC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c(-n3cccc3)c2)C1 ZINC000072389688 541804247 /nfs/dbraw/zinc/80/42/47/541804247.db2.gz NKZICCAQJVFJCP-INIZCTEOSA-N 1 2 363.421 2.001 40 0 FEABLO O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378746 541802733 /nfs/dbraw/zinc/80/27/33/541802733.db2.gz VFYNSEFVOBXXES-INIZCTEOSA-N 1 2 373.413 2.327 40 0 FEABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3cccnc3)n2)cc1 ZINC000015674700 220158900 /nfs/dbraw/zinc/15/89/00/220158900.db2.gz ZCXOSZYNQFQWLV-WBVHZDCISA-N 1 2 352.394 2.448 40 0 biogenic,in-vitro FEABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3cccnc3)n2)cc1 ZINC000015674700 220158902 /nfs/dbraw/zinc/15/89/02/220158902.db2.gz ZCXOSZYNQFQWLV-WBVHZDCISA-N 1 2 352.394 2.448 40 0 biogenic,in-vitro FEABLO CCc1ccc(CCOc2ccc(C[C@H]3S[C@H]([NH3+])NC3=O)cc2)nc1 ZINC000075629367 542193029 /nfs/dbraw/zinc/19/30/29/542193029.db2.gz YGJNWQBRZQDIPS-IEBWSBKVSA-N 1 2 357.479 2.282 40 0 FEABLO COc1cc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)ccc1O ZINC000019550081 220270803 /nfs/dbraw/zinc/27/08/03/220270803.db2.gz SACWGGCXNDGQKG-UHFFFAOYSA-N 1 2 364.405 2.104 40 0 FEABLO COc1cc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)ccc1O ZINC000019550081 220270811 /nfs/dbraw/zinc/27/08/11/220270811.db2.gz SACWGGCXNDGQKG-UHFFFAOYSA-N 1 2 364.405 2.104 40 0 FEABLO CNc1cc([C@H]2CCCN(C(=O)Cn3nc4ccccc4n3)C2)cc[nH+]1 ZINC000257285595 533055786 /nfs/dbraw/zinc/05/57/86/533055786.db2.gz PHXFLYDACKRCFW-HNNXBMFYSA-N 1 2 350.426 2.274 40 0 FEABLO COc1cccc(OC[C@@H]2CCC[N@H+](CC(=O)Nc3cn(C)nc3C)C2)c1 ZINC000019658838 220283706 /nfs/dbraw/zinc/28/37/06/220283706.db2.gz ZTHDJCUYLISPIP-MRXNPFEDSA-N 1 2 372.469 2.467 40 0 FEABLO COc1cccc(OC[C@@H]2CCC[N@@H+](CC(=O)Nc3cn(C)nc3C)C2)c1 ZINC000019658838 220283710 /nfs/dbraw/zinc/28/37/10/220283710.db2.gz ZTHDJCUYLISPIP-MRXNPFEDSA-N 1 2 372.469 2.467 40 0 FEABLO O=C(CCCc1ccc(F)cc1)N1CCC[C@@H](c2nnc3n2CC[NH2+]C3)C1 ZINC000019711044 220287487 /nfs/dbraw/zinc/28/74/87/220287487.db2.gz NNXJWRYXHXXSGR-MRXNPFEDSA-N 1 2 371.460 2.249 40 0 FEABLO CNc1nc([C@H]2CCN(C(=O)c3ccccc3)C2)nc2c1C[N@H+](C)CC2 ZINC000257315876 533087920 /nfs/dbraw/zinc/08/79/20/533087920.db2.gz VDBQHOGBCSZPJK-HNNXBMFYSA-N 1 2 351.454 2.136 40 0 FEABLO CNc1nc([C@H]2CCN(C(=O)c3ccccc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257315876 533087921 /nfs/dbraw/zinc/08/79/21/533087921.db2.gz VDBQHOGBCSZPJK-HNNXBMFYSA-N 1 2 351.454 2.136 40 0 FEABLO CNc1nccnc1[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000257274100 533088617 /nfs/dbraw/zinc/08/86/17/533088617.db2.gz NJOLMPJFYNJAGD-INIZCTEOSA-N 1 2 350.426 2.482 40 0 FEABLO CNc1nccnc1[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000257274100 533088620 /nfs/dbraw/zinc/08/86/20/533088620.db2.gz NJOLMPJFYNJAGD-INIZCTEOSA-N 1 2 350.426 2.482 40 0 FEABLO Cc1nc(C[N@@H+]2CCC[C@@]3(CN(c4ccc(C)nn4)CCO3)C2)cs1 ZINC000096226684 132222806 /nfs/dbraw/zinc/22/28/06/132222806.db2.gz BSSLLBIGJUPRHP-SFHVURJKSA-N 1 2 359.499 2.421 40 0 FEABLO Cc1nc(C[N@H+]2CCC[C@@]3(CN(c4ccc(C)nn4)CCO3)C2)cs1 ZINC000096226684 132222807 /nfs/dbraw/zinc/22/28/07/132222807.db2.gz BSSLLBIGJUPRHP-SFHVURJKSA-N 1 2 359.499 2.421 40 0 FEABLO CCOC[C@H]1CN(C(=O)c2cnc(C)cn2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045131 542989399 /nfs/dbraw/zinc/98/93/99/542989399.db2.gz CVPDBZACYYLFEA-OAHLLOKOSA-N 1 2 355.442 2.168 40 0 FEABLO COc1cccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)n1 ZINC000096112158 222029330 /nfs/dbraw/zinc/02/93/30/222029330.db2.gz AGPPDDDNGFLSRD-HIFRSBDPSA-N 1 2 357.389 2.101 40 0 biogenic,in-vitro FEABLO COc1cccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)n1 ZINC000096112158 222029334 /nfs/dbraw/zinc/02/93/34/222029334.db2.gz AGPPDDDNGFLSRD-HIFRSBDPSA-N 1 2 357.389 2.101 40 0 biogenic,in-vitro FEABLO COc1ccc2[nH]c(CO[C@H]3CN(Cc4[nH+]ccn4C)C[C@H]3F)nc2c1 ZINC000096112272 222029728 /nfs/dbraw/zinc/02/97/28/222029728.db2.gz FELIIWBEOOHFKO-CJNGLKHVSA-N 1 2 359.405 2.044 40 0 biogenic,in-vitro FEABLO O=C1C[C@]2(CCN(c3cccc[nH+]3)C2)CN1c1ccc2c(c1)OCCO2 ZINC000096239079 222094298 /nfs/dbraw/zinc/09/42/98/222094298.db2.gz YCYSDCKUTYRFNC-FQEVSTJZSA-N 1 2 351.406 2.486 40 0 FEABLO Cn1cc(-c2nc3c(c(NC4CC4)n2)C[N@H+](Cc2ccccn2)CC3)cn1 ZINC000096254204 222101348 /nfs/dbraw/zinc/10/13/48/222101348.db2.gz DHDXPZJJXXPXGT-UHFFFAOYSA-N 1 2 361.453 2.405 40 0 FEABLO Cn1cc(-c2nc3c(c(NC4CC4)n2)C[N@@H+](Cc2ccccn2)CC3)cn1 ZINC000096254204 222101351 /nfs/dbraw/zinc/10/13/51/222101351.db2.gz DHDXPZJJXXPXGT-UHFFFAOYSA-N 1 2 361.453 2.405 40 0 FEABLO Cc1cc(N2C(=[NH2+])S[C@@H]3CS(=O)(=O)C[C@H]32)ccc1Br ZINC000137843822 544392879 /nfs/dbraw/zinc/39/28/79/544392879.db2.gz XDBWSPUYZIZFSP-GHMZBOCLSA-N 1 2 361.286 2.411 40 0 FEABLO Cc1c(Br)cccc1Nc1cc(C2CC2)[nH+]c(NCCO)n1 ZINC000329009006 533710580 /nfs/dbraw/zinc/71/05/80/533710580.db2.gz LUPFMEJBLGLOPN-UHFFFAOYSA-N 1 2 363.259 2.417 40 0 FEABLO Cc1noc(C)c1C[NH+]1CC2(C1)CC[C@@H](CNC(=O)N1CCCC1)CO2 ZINC000306123300 534352735 /nfs/dbraw/zinc/35/27/35/534352735.db2.gz AJOVEXGAQUATKL-INIZCTEOSA-N 1 2 362.474 2.078 40 0 FEABLO O=C(c1cscn1)N1Cc2c[nH+]cn2[C@@H](COc2ncccc2F)C1 ZINC000247809151 549383344 /nfs/dbraw/zinc/38/33/44/549383344.db2.gz DIBCXDPUXVHCEL-GFCCVEGCSA-N 1 2 359.386 2.150 40 0 FEABLO COc1ccccc1C[N@H+]1Cc2ccnn2[C@@H](CCNC(=O)C2CC2)C1 ZINC000248130260 549408923 /nfs/dbraw/zinc/40/89/23/549408923.db2.gz JYDMSXDCSCYLHQ-KRWDZBQOSA-N 1 2 354.454 2.365 40 0 FEABLO COc1ccccc1C[N@@H+]1Cc2ccnn2[C@@H](CCNC(=O)C2CC2)C1 ZINC000248130260 549408926 /nfs/dbraw/zinc/40/89/26/549408926.db2.gz JYDMSXDCSCYLHQ-KRWDZBQOSA-N 1 2 354.454 2.365 40 0 FEABLO Cn1cccc1C(=O)NCC[C@@H]1CCOC12C[NH+](Cc1ccsc1)C2 ZINC000248165122 549413002 /nfs/dbraw/zinc/41/30/02/549413002.db2.gz ZMSPVWNNMJYQBQ-MRXNPFEDSA-N 1 2 359.495 2.498 40 0 FEABLO C[C@@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(-c2ccncc2)[nH+]1 ZINC000328962473 553854527 /nfs/dbraw/zinc/85/45/27/553854527.db2.gz BIBONTPGZXYTRX-ZDUSSCGKSA-N 1 2 369.856 2.441 40 0 FEABLO O=C(NCC1CC1)[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2c[nH+]cn21 ZINC000575405512 570637751 /nfs/dbraw/zinc/63/77/51/570637751.db2.gz IRHOZCVHRZTKPN-GOSISDBHSA-N 1 2 363.421 2.088 40 0 FEABLO Cc1ccc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COc2nccc(C)n2)o1 ZINC000585094732 571219820 /nfs/dbraw/zinc/21/98/20/571219820.db2.gz JPAZUDTXMHAGEN-OAHLLOKOSA-N 1 2 353.426 2.426 40 0 FEABLO Cn1nccc1C(=O)NCC[C@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21 ZINC000585111756 571225833 /nfs/dbraw/zinc/22/58/33/571225833.db2.gz APUGRUXUUIFNCB-HNNXBMFYSA-N 1 2 370.482 2.055 40 0 FEABLO Cn1nccc1C(=O)NCC[C@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21 ZINC000585111756 571225834 /nfs/dbraw/zinc/22/58/34/571225834.db2.gz APUGRUXUUIFNCB-HNNXBMFYSA-N 1 2 370.482 2.055 40 0 FEABLO CN(C)c1cc([C@@H]2CCCN(C(=O)c3cnn4cccnc34)C2)cc[nH+]1 ZINC000257344414 529774177 /nfs/dbraw/zinc/77/41/77/529774177.db2.gz ZXCJNWQTEJLCRF-OAHLLOKOSA-N 1 2 350.426 2.210 40 0 FEABLO COc1cccc([C@@H](NC(=O)c2ccccn2)c2[nH+]ccn2C)c1OC ZINC000012114971 539544132 /nfs/dbraw/zinc/54/41/32/539544132.db2.gz JJOCRCPUWSDNLL-MRXNPFEDSA-N 1 2 352.394 2.352 40 0 FEABLO CSc1ncc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000012122821 539545042 /nfs/dbraw/zinc/54/50/42/539545042.db2.gz XVPJBONBTRPAOT-UHFFFAOYSA-N 1 2 366.450 2.314 40 0 FEABLO CSc1ncc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000012122821 539545046 /nfs/dbraw/zinc/54/50/46/539545046.db2.gz XVPJBONBTRPAOT-UHFFFAOYSA-N 1 2 366.450 2.314 40 0 FEABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(O)cc2)C3)CC1 ZINC000012184786 539548773 /nfs/dbraw/zinc/54/87/73/539548773.db2.gz PYYZYLWFZZDBDD-UHFFFAOYSA-N 1 2 354.454 2.270 40 0 FEABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(O)cc2)C3)CC1 ZINC000012184786 539548780 /nfs/dbraw/zinc/54/87/80/539548780.db2.gz PYYZYLWFZZDBDD-UHFFFAOYSA-N 1 2 354.454 2.270 40 0 FEABLO CCn1c(C)nc2cc(C(=O)N(C)[C@@H]3CC[C@@H](n4cc[nH+]c4)[C@@H]3O)ccc21 ZINC000257229799 223029444 /nfs/dbraw/zinc/02/94/44/223029444.db2.gz FZNGHZXFIRINBV-GUDVDZBRSA-N 1 2 367.453 2.398 40 0 FEABLO Cc1nccnc1CC[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000257298804 223057025 /nfs/dbraw/zinc/05/70/25/223057025.db2.gz RNIXTRJYUSFHNA-QGZVFWFLSA-N 1 2 355.438 2.390 40 0 FEABLO Cc1nccnc1CC[C@@H]1COCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000257298804 223057027 /nfs/dbraw/zinc/05/70/27/223057027.db2.gz RNIXTRJYUSFHNA-QGZVFWFLSA-N 1 2 355.438 2.390 40 0 FEABLO O=C(c1cscn1)N1CCC[C@H]1c1ccnc(C[NH+]2CCOCC2)c1 ZINC000257336111 223070446 /nfs/dbraw/zinc/07/04/46/223070446.db2.gz YNFUGECVZHCGNQ-KRWDZBQOSA-N 1 2 358.467 2.348 40 0 FEABLO Cc1cc(C[N@H+]2Cc3ccnn3[C@H](CCOCC3CCOCC3)C2)n(C)n1 ZINC000306130011 223108311 /nfs/dbraw/zinc/10/83/11/223108311.db2.gz ITXZZMAKOBQINY-LJQANCHMSA-N 1 2 373.501 2.315 40 0 FEABLO Cc1cc(C[N@@H+]2Cc3ccnn3[C@H](CCOCC3CCOCC3)C2)n(C)n1 ZINC000306130011 223108314 /nfs/dbraw/zinc/10/83/14/223108314.db2.gz ITXZZMAKOBQINY-LJQANCHMSA-N 1 2 373.501 2.315 40 0 FEABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012529820 220003444 /nfs/dbraw/zinc/00/34/44/220003444.db2.gz RVMPDFVKUCGYDN-HOTGVXAUSA-N 1 2 367.384 2.446 40 0 biogenic,in-vitro FEABLO C[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012529820 220003446 /nfs/dbraw/zinc/00/34/46/220003446.db2.gz RVMPDFVKUCGYDN-HOTGVXAUSA-N 1 2 367.384 2.446 40 0 biogenic,in-vitro FEABLO Cn1nccc1-c1nc(NCC[NH+]2CCOCC2)ncc1-c1ccsc1 ZINC000019289244 220246780 /nfs/dbraw/zinc/24/67/80/220246780.db2.gz QQXFMCFXVVYESP-UHFFFAOYSA-N 1 2 370.482 2.350 40 0 FEABLO C[N@@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)Cc1ccc(F)cc1)CC2 ZINC000019706185 220285845 /nfs/dbraw/zinc/28/58/45/220285845.db2.gz OGJOFSDZFJGVOB-KRWDZBQOSA-N 1 2 371.460 2.201 40 0 FEABLO C[N@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)Cc1ccc(F)cc1)CC2 ZINC000019706185 220285850 /nfs/dbraw/zinc/28/58/50/220285850.db2.gz OGJOFSDZFJGVOB-KRWDZBQOSA-N 1 2 371.460 2.201 40 0 FEABLO O=C(c1ccc2[nH]cnc2c1)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000049031231 221016921 /nfs/dbraw/zinc/01/69/21/221016921.db2.gz CHOBYWAPAQRADZ-INIZCTEOSA-N 1 2 356.451 2.116 40 0 FEABLO Cc1nc(C[N@@H+]2CCOC[C@@]3(CCCN(c4cnccn4)C3)C2)cs1 ZINC000096229285 132222910 /nfs/dbraw/zinc/22/29/10/132222910.db2.gz BUAZPQSEKSGXAY-SFHVURJKSA-N 1 2 359.499 2.361 40 0 FEABLO Cc1nc(C[N@H+]2CCOC[C@@]3(CCCN(c4cnccn4)C3)C2)cs1 ZINC000096229285 132222911 /nfs/dbraw/zinc/22/29/11/132222911.db2.gz BUAZPQSEKSGXAY-SFHVURJKSA-N 1 2 359.499 2.361 40 0 FEABLO OCCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc[nH+]1 ZINC000328984470 132372147 /nfs/dbraw/zinc/37/21/47/132372147.db2.gz HMRMCOILINZYNN-UHFFFAOYSA-N 1 2 354.332 2.342 40 0 FEABLO OCCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]cn1 ZINC000328984470 132372148 /nfs/dbraw/zinc/37/21/48/132372148.db2.gz HMRMCOILINZYNN-UHFFFAOYSA-N 1 2 354.332 2.342 40 0 FEABLO Cn1c[nH+]c2c1[C@H](COCC1CCOCC1)CN(Cc1ccccn1)C2 ZINC000096044980 542989341 /nfs/dbraw/zinc/98/93/41/542989341.db2.gz FHUHHZVNFXQBOZ-KRWDZBQOSA-N 1 2 356.470 2.358 40 0 FEABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000111864670 543422062 /nfs/dbraw/zinc/42/20/62/543422062.db2.gz NQHZGKMKIFLPPQ-UHFFFAOYSA-N 1 2 374.466 2.267 40 0 FEABLO Cc1occc1C(=O)N1CCn2cc(C[N@@H+](C)Cc3cccnc3)nc2C1 ZINC000096059550 222006994 /nfs/dbraw/zinc/00/69/94/222006994.db2.gz OKOFCOZMKUIMNW-UHFFFAOYSA-N 1 2 365.437 2.468 40 0 FEABLO Cc1occc1C(=O)N1CCn2cc(C[N@H+](C)Cc3cccnc3)nc2C1 ZINC000096059550 222006997 /nfs/dbraw/zinc/00/69/97/222006997.db2.gz OKOFCOZMKUIMNW-UHFFFAOYSA-N 1 2 365.437 2.468 40 0 FEABLO CCc1cnc(N2CCO[C@@H]3C[N@H+](Cc4nccs4)CC[C@@H]3C2)nc1 ZINC000096249774 222100094 /nfs/dbraw/zinc/10/00/94/222100094.db2.gz JOQAEQNRJQRVFC-HZPDHXFCSA-N 1 2 359.499 2.223 40 0 FEABLO CCc1cnc(N2CCO[C@@H]3C[N@@H+](Cc4nccs4)CC[C@@H]3C2)nc1 ZINC000096249774 222100098 /nfs/dbraw/zinc/10/00/98/222100098.db2.gz JOQAEQNRJQRVFC-HZPDHXFCSA-N 1 2 359.499 2.223 40 0 FEABLO CC(=O)N1CCc2[nH+]cn(C)c2[C@@H]1C(=O)Nc1ccc(OC(C)C)cc1 ZINC000096147193 222048654 /nfs/dbraw/zinc/04/86/54/222048654.db2.gz HUTDPTZBCAOMSM-GOSISDBHSA-N 1 2 356.426 2.292 40 0 FEABLO C[C@H](CO)Nc1nc(Nc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000329006750 534129180 /nfs/dbraw/zinc/12/91/80/534129180.db2.gz LDZDPECHWFQFHT-SNVBAGLBSA-N 1 2 363.259 2.497 40 0 FEABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000245229991 521306600 /nfs/dbraw/zinc/30/66/00/521306600.db2.gz JMAYTTKKIKIUGQ-FLTUCWPJSA-N 1 2 364.467 2.116 40 0 FEABLO CC(C)Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(N[C@H](C)CO)n1 ZINC000328986989 529115738 /nfs/dbraw/zinc/11/57/38/529115738.db2.gz HZSJCMBIHUUPJP-LLVKDONJSA-N 1 2 370.375 2.499 40 0 FEABLO O=C(COCC[C@H]1CCOC2(C[NH+](Cc3ccncc3)C2)C1)N1CCCC1 ZINC000247755483 549377467 /nfs/dbraw/zinc/37/74/67/549377467.db2.gz ZDQFIQUBQDEIAO-SFHVURJKSA-N 1 2 373.497 2.092 40 0 FEABLO Cc1noc(C)c1C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccn1C)CO2 ZINC000248082575 549405587 /nfs/dbraw/zinc/40/55/87/549405587.db2.gz APVRFWOQQBNDCO-MRXNPFEDSA-N 1 2 372.469 2.041 40 0 FEABLO Cn1cccc1C(=O)N1Cc2ccnn2C[C@@H](CNc2cccc[nH+]2)C1 ZINC000248103055 549407223 /nfs/dbraw/zinc/40/72/23/549407223.db2.gz FGTSLNAPYZRSSR-HNNXBMFYSA-N 1 2 350.426 2.001 40 0 FEABLO CN(C)c1cc(N2CC3(C2)C[C@@H](Oc2ncccc2F)CS3)nc[nH+]1 ZINC000248132694 549409446 /nfs/dbraw/zinc/40/94/46/549409446.db2.gz QTVIZQOHKWTSIM-GFCCVEGCSA-N 1 2 361.446 2.220 40 0 FEABLO CN(C)c1cc(N2CC3(C2)C[C@@H](Oc2ncccc2F)CS3)[nH+]cn1 ZINC000248132694 549409449 /nfs/dbraw/zinc/40/94/49/549409449.db2.gz QTVIZQOHKWTSIM-GFCCVEGCSA-N 1 2 361.446 2.220 40 0 FEABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccnc1 ZINC000261364046 549730597 /nfs/dbraw/zinc/73/05/97/549730597.db2.gz ZLWQIJXKURPGDZ-QGZVFWFLSA-O 1 2 366.426 2.167 40 0 FEABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccn1 ZINC000261364024 549730607 /nfs/dbraw/zinc/73/06/07/549730607.db2.gz YYLXHANNMFIHNE-QGZVFWFLSA-O 1 2 366.426 2.167 40 0 FEABLO Cc1nc(C(=O)N2Cc3c[nH+]cn3CC[C@@H]2COc2ccccc2)c[nH]1 ZINC000585097290 571220264 /nfs/dbraw/zinc/22/02/64/571220264.db2.gz JTHNIESUOWNXJU-OAHLLOKOSA-N 1 2 351.410 2.408 40 0 FEABLO CCOC[C@H]1CC[N@H+](C)C2(CN(S(=O)(=O)c3ccccc3Cl)C2)C1 ZINC000585102805 571222850 /nfs/dbraw/zinc/22/28/50/571222850.db2.gz IGWPSYCQZJXARN-AWEZNQCLSA-N 1 2 372.918 2.461 40 0 FEABLO CCOC[C@H]1CC[N@@H+](C)C2(CN(S(=O)(=O)c3ccccc3Cl)C2)C1 ZINC000585102805 571222851 /nfs/dbraw/zinc/22/28/51/571222851.db2.gz IGWPSYCQZJXARN-AWEZNQCLSA-N 1 2 372.918 2.461 40 0 FEABLO CCS(=O)(=O)NCC[C@@H]1C[N@H+](Cc2cccc(C)c2)Cc2ccnn21 ZINC000585111934 571225797 /nfs/dbraw/zinc/22/57/97/571225797.db2.gz DUMQLFYZZYCCFF-GOSISDBHSA-N 1 2 362.499 2.078 40 0 FEABLO CCS(=O)(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(C)c2)Cc2ccnn21 ZINC000585111934 571225798 /nfs/dbraw/zinc/22/57/98/571225798.db2.gz DUMQLFYZZYCCFF-GOSISDBHSA-N 1 2 362.499 2.078 40 0 FEABLO Cc1nc(C)n(CC(=O)N2CCC(c3[nH+]c(C)n4ccsc34)CC2)n1 ZINC000019285710 539653625 /nfs/dbraw/zinc/65/36/25/539653625.db2.gz ZJRZQZGSSCYEPV-UHFFFAOYSA-N 1 2 358.471 2.319 40 0 FEABLO COc1ccc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cc1O ZINC000019559745 539661168 /nfs/dbraw/zinc/66/11/68/539661168.db2.gz DHUQQCJNYZVFDJ-UHFFFAOYSA-N 1 2 364.405 2.104 40 0 FEABLO COc1ccc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cc1O ZINC000019559745 539661173 /nfs/dbraw/zinc/66/11/73/539661173.db2.gz DHUQQCJNYZVFDJ-UHFFFAOYSA-N 1 2 364.405 2.104 40 0 FEABLO Cc1noc(C)c1Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)s1 ZINC000019581092 539661941 /nfs/dbraw/zinc/66/19/41/539661941.db2.gz GGBBPYXKJUHBJK-GFCCVEGCSA-N 1 2 363.483 2.394 40 0 FEABLO CC(C)[N@@H+]1CCO[C@@H](c2c3cccnc3sc2C(=O)N(C)CCO)C1 ZINC000019705474 539666572 /nfs/dbraw/zinc/66/65/72/539666572.db2.gz WLFNNKGNNVWDCR-CQSZACIVSA-N 1 2 363.483 2.142 40 0 FEABLO CC(C)[N@H+]1CCO[C@@H](c2c3cccnc3sc2C(=O)N(C)CCO)C1 ZINC000019705474 539666574 /nfs/dbraw/zinc/66/65/74/539666574.db2.gz WLFNNKGNNVWDCR-CQSZACIVSA-N 1 2 363.483 2.142 40 0 FEABLO Cc1nc(-c2cncnc2[C@@H]2C[N@H+](Cc3cnc(C)s3)CCO2)no1 ZINC000019693762 539665449 /nfs/dbraw/zinc/66/54/49/539665449.db2.gz OIBWSVARBYWNRM-AWEZNQCLSA-N 1 2 358.427 2.173 40 0 FEABLO Cc1nc(-c2cncnc2[C@@H]2C[N@@H+](Cc3cnc(C)s3)CCO2)no1 ZINC000019693762 539665455 /nfs/dbraw/zinc/66/54/55/539665455.db2.gz OIBWSVARBYWNRM-AWEZNQCLSA-N 1 2 358.427 2.173 40 0 FEABLO COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)cn1 ZINC000019719101 539668178 /nfs/dbraw/zinc/66/81/78/539668178.db2.gz OGHVFVGPHVTICD-GOSISDBHSA-N 1 2 355.438 2.202 40 0 FEABLO CCNc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)CCC2 ZINC000020801773 539677636 /nfs/dbraw/zinc/67/76/36/539677636.db2.gz SLDUOIXAQQLXTR-UHFFFAOYSA-N 1 2 352.442 2.149 40 0 FEABLO CC(C)n1c2ccccc2[nH+]c1N1CCN(C(=O)N2CCOCC2)CC1 ZINC000001379874 204002615 /nfs/dbraw/zinc/00/26/15/204002615.db2.gz YTQKGRLYYYSQTJ-UHFFFAOYSA-N 1 2 357.458 2.191 40 0 FEABLO CCc1ccc(C(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)cc1 ZINC000096259525 205866316 /nfs/dbraw/zinc/86/63/16/205866316.db2.gz CYEUPGBKVKJQLJ-UHFFFAOYSA-N 1 2 350.426 2.131 40 0 FEABLO Cc1nc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@@H]3C2)cs1 ZINC000107717909 206023792 /nfs/dbraw/zinc/02/37/92/206023792.db2.gz BVVCKDMAJRPAFL-IAOVAPTHSA-N 1 2 358.467 2.465 40 0 FEABLO Cc1nc(C[N@H+]2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@@H]3C2)cs1 ZINC000107717909 206023796 /nfs/dbraw/zinc/02/37/96/206023796.db2.gz BVVCKDMAJRPAFL-IAOVAPTHSA-N 1 2 358.467 2.465 40 0 FEABLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccc(CO)o3)n2)c1 ZINC000015674377 206315588 /nfs/dbraw/zinc/31/55/88/206315588.db2.gz GFCACLADNXYBIU-PBHICJAKSA-N 1 2 355.394 2.438 40 0 biogenic,in-vitro FEABLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccc(CO)o3)n2)c1 ZINC000015674377 206315593 /nfs/dbraw/zinc/31/55/93/206315593.db2.gz GFCACLADNXYBIU-PBHICJAKSA-N 1 2 355.394 2.438 40 0 biogenic,in-vitro FEABLO Nc1nc(N)c2c([nH+]1)NC(=O)C[C@@H]2C(=O)Nc1cc(Cl)ccc1Cl ZINC000013549436 206304415 /nfs/dbraw/zinc/30/44/15/206304415.db2.gz LJNORAMXPXKCMD-LURJTMIESA-N 1 2 367.196 2.012 40 0 FEABLO CCC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000057669946 206387548 /nfs/dbraw/zinc/38/75/48/206387548.db2.gz QAAYTDSCQCTLLG-MRXNPFEDSA-N 1 2 374.464 2.244 40 0 FEABLO Cc1nc(COC[C@H]2CN(c3ncccn3)Cc3[nH+]cn(C)c32)cs1 ZINC000096045035 132217303 /nfs/dbraw/zinc/21/73/03/132217303.db2.gz FRXIVGLVEMPSAU-CYBMUJFWSA-N 1 2 356.455 2.296 40 0 FEABLO O=C(NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C1CCC(F)(F)CC1 ZINC000257238260 132295501 /nfs/dbraw/zinc/29/55/01/132295501.db2.gz HKEGKWBBWMBVNE-KRWDZBQOSA-N 1 2 353.413 2.355 40 0 FEABLO CNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(F)cc1 ZINC000096112973 542992331 /nfs/dbraw/zinc/99/23/31/542992331.db2.gz MSSSPHLNHRQFRF-RBUKOAKNSA-N 1 2 369.440 2.394 40 0 biogenic,in-vitro FEABLO CNC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1C(=O)NCc1ccc(F)cc1 ZINC000096112973 542992334 /nfs/dbraw/zinc/99/23/34/542992334.db2.gz MSSSPHLNHRQFRF-RBUKOAKNSA-N 1 2 369.440 2.394 40 0 biogenic,in-vitro FEABLO O=C(Cc1ccccn1)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC000096158825 542994131 /nfs/dbraw/zinc/99/41/31/542994131.db2.gz BOQPBGJEFUTVSW-UHFFFAOYSA-N 1 2 355.438 2.111 40 0 FEABLO O=C(Cc1ccccn1)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC000096158825 542994133 /nfs/dbraw/zinc/99/41/33/542994133.db2.gz BOQPBGJEFUTVSW-UHFFFAOYSA-N 1 2 355.438 2.111 40 0 FEABLO CC(C)CNc1[nH+]c2c(cc1C(=O)N(C)C)CCN(c1ccncn1)CC2 ZINC000096260514 542997911 /nfs/dbraw/zinc/99/79/11/542997911.db2.gz UVBMCRNHQKSNTH-UHFFFAOYSA-N 1 2 368.485 2.247 40 0 FEABLO Cn1c[nH+]c2c1[C@@H](COCC1CCCC1)CN(C(=O)c1ccnnc1)C2 ZINC000096044959 542989374 /nfs/dbraw/zinc/98/93/74/542989374.db2.gz RSWAYXLWFOMSMK-MRXNPFEDSA-N 1 2 355.442 2.157 40 0 FEABLO C[N@H+](Cc1cn2c(n1)CN(Cc1nccs1)CC2)Cc1cccnc1 ZINC000096059544 542989749 /nfs/dbraw/zinc/98/97/49/542989749.db2.gz VDRZRUCWLUQMLG-UHFFFAOYSA-N 1 2 354.483 2.382 40 0 FEABLO C[N@@H+](Cc1cn2c(n1)CN(Cc1nccs1)CC2)Cc1cccnc1 ZINC000096059544 542989752 /nfs/dbraw/zinc/98/97/52/542989752.db2.gz VDRZRUCWLUQMLG-UHFFFAOYSA-N 1 2 354.483 2.382 40 0 FEABLO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC4(CC3)OCCO4)C2=O)c(Cl)c1 ZINC000104346145 543129273 /nfs/dbraw/zinc/12/92/73/543129273.db2.gz HWEXSXWABHKVOC-HNNXBMFYSA-N 1 2 364.829 2.119 40 0 FEABLO CC(C)[N@@H+]1CCc2ncn(C)c2[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000096147158 535254140 /nfs/dbraw/zinc/25/41/40/535254140.db2.gz SPAULJPESNWZKN-HXUWFJFHSA-N 1 2 367.497 2.077 40 0 FEABLO CC(C)[N@H+]1CCc2ncn(C)c2[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000096147158 535254143 /nfs/dbraw/zinc/25/41/43/535254143.db2.gz SPAULJPESNWZKN-HXUWFJFHSA-N 1 2 367.497 2.077 40 0 FEABLO O=C(COC1CCCC1)N1CC2(C1)OCC[C@H]2CCNc1cccc[nH+]1 ZINC000247756159 549377730 /nfs/dbraw/zinc/37/77/30/549377730.db2.gz ZQRHBROMZAOICW-MRXNPFEDSA-N 1 2 359.470 2.460 40 0 FEABLO CN(C)C(=O)COCC[C@H]1CCOC2(C[NH+](Cc3ccccc3F)C2)C1 ZINC000247967077 549395087 /nfs/dbraw/zinc/39/50/87/549395087.db2.gz GQEJWTOMLJINRW-INIZCTEOSA-N 1 2 364.461 2.302 40 0 FEABLO Cc1nc(C(=O)N2Cc3c[nH+]cn3[C@H](COc3ncccc3F)C2)cs1 ZINC000248041576 549402564 /nfs/dbraw/zinc/40/25/64/549402564.db2.gz OZUCRKBWIHEBQV-ZDUSSCGKSA-N 1 2 373.413 2.458 40 0 FEABLO Cn1cccc1C(=O)NCC[C@@H]1CCOC12C[NH+](Cc1cccs1)C2 ZINC000248132760 549409137 /nfs/dbraw/zinc/40/91/37/549409137.db2.gz NRYJEZBKFSQIBX-OAHLLOKOSA-N 1 2 359.495 2.498 40 0 FEABLO c1cnc(O[C@@H]2CCOC3(C[NH+](Cc4ccc5c(c4)OCO5)C3)C2)cn1 ZINC000248339302 549421118 /nfs/dbraw/zinc/42/11/18/549421118.db2.gz SRMYCGZRGALABZ-OAHLLOKOSA-N 1 2 355.394 2.018 40 0 FEABLO Cc1ccsc1C[N@H+]1Cc2cncn2[C@@H](COCC(=O)N2CCCC2)C1 ZINC000253599855 549697476 /nfs/dbraw/zinc/69/74/76/549697476.db2.gz VKXPTPXJVYPAIS-QGZVFWFLSA-N 1 2 374.510 2.449 40 0 FEABLO Cc1ccsc1C[N@@H+]1Cc2cncn2[C@@H](COCC(=O)N2CCCC2)C1 ZINC000253599855 549697480 /nfs/dbraw/zinc/69/74/80/549697480.db2.gz VKXPTPXJVYPAIS-QGZVFWFLSA-N 1 2 374.510 2.449 40 0 FEABLO Cc1ccsc1CN1Cc2c[nH+]cn2[C@@H](COCC(=O)N2CCCC2)C1 ZINC000253599855 549697484 /nfs/dbraw/zinc/69/74/84/549697484.db2.gz VKXPTPXJVYPAIS-QGZVFWFLSA-N 1 2 374.510 2.449 40 0 FEABLO CC(=O)NCc1c[nH+]c([C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)[nH]1 ZINC000257220211 549718570 /nfs/dbraw/zinc/71/85/70/549718570.db2.gz DKAGETQQVVFSCY-NSHDSACASA-N 1 2 353.348 2.454 40 0 FEABLO CC(=O)NCc1c[nH]c([C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)[nH+]1 ZINC000257220211 549718574 /nfs/dbraw/zinc/71/85/74/549718574.db2.gz DKAGETQQVVFSCY-NSHDSACASA-N 1 2 353.348 2.454 40 0 FEABLO Cc1[nH]ncc1C[NH+]1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 ZINC000257214577 549718940 /nfs/dbraw/zinc/71/89/40/549718940.db2.gz CMNDNLUVLBTYBM-UHFFFAOYSA-N 1 2 364.457 2.496 40 0 FEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)[nH+]1 ZINC000257253786 549721892 /nfs/dbraw/zinc/72/18/92/549721892.db2.gz KAHRZFPMCVAOTI-INIZCTEOSA-N 1 2 350.426 2.329 40 0 FEABLO CCn1cc(CN2Cc3c[nH+]cn3[C@H](CNC(=O)c3ccccc3)C2)cn1 ZINC000306130063 553748838 /nfs/dbraw/zinc/74/88/38/553748838.db2.gz IVMRQJGDKJIUON-LJQANCHMSA-N 1 2 364.453 2.086 40 0 FEABLO COC(=O)c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1OC ZINC000329054776 553872657 /nfs/dbraw/zinc/87/26/57/553872657.db2.gz VLIIFXHVWIPIKI-UHFFFAOYSA-N 1 2 354.410 2.311 40 0 FEABLO CNc1nc(C)cc(C(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000329096856 553879567 /nfs/dbraw/zinc/87/95/67/553879567.db2.gz LITKVEZKOBOUCU-UHFFFAOYSA-N 1 2 364.453 2.798 40 0 FEABLO COCC[NH+]1CCN([C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)CC1 ZINC000585290557 570495852 /nfs/dbraw/zinc/49/58/52/570495852.db2.gz YCVLPEZBDYCLAU-IPMKNSEASA-N 1 2 368.905 2.265 40 0 FEABLO Cc1cccnc1C[N@@H+]1Cc2ccnn2CC[C@@H]1CNC(=O)CC1CC1 ZINC000585097829 571220582 /nfs/dbraw/zinc/22/05/82/571220582.db2.gz RLVKHNLTTHLBFQ-QGZVFWFLSA-N 1 2 353.470 2.277 40 0 FEABLO Cc1cccnc1C[N@H+]1Cc2ccnn2CC[C@@H]1CNC(=O)CC1CC1 ZINC000585097829 571220585 /nfs/dbraw/zinc/22/05/85/571220585.db2.gz RLVKHNLTTHLBFQ-QGZVFWFLSA-N 1 2 353.470 2.277 40 0 FEABLO O=C(NC1CC(F)(F)C1)C1=NO[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000585101130 571221853 /nfs/dbraw/zinc/22/18/53/571221853.db2.gz GSLSTTRZPFZGSA-KRWDZBQOSA-N 1 2 364.396 2.106 40 0 FEABLO O=C(NC1CC(F)(F)C1)C1=NO[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000585101130 571221856 /nfs/dbraw/zinc/22/18/56/571221856.db2.gz GSLSTTRZPFZGSA-KRWDZBQOSA-N 1 2 364.396 2.106 40 0 FEABLO CSc1nnc([C@H]2CCC[N@H+](CC(=O)N[C@H]3CCCC[C@@H]3C)C2)n1C ZINC000005001444 539399547 /nfs/dbraw/zinc/39/95/47/539399547.db2.gz KWVPCEYTUUHIGH-KKUMJFAQSA-N 1 2 365.547 2.411 40 0 FEABLO CSc1nnc([C@H]2CCC[N@@H+](CC(=O)N[C@H]3CCCC[C@@H]3C)C2)n1C ZINC000005001444 539399550 /nfs/dbraw/zinc/39/95/50/539399550.db2.gz KWVPCEYTUUHIGH-KKUMJFAQSA-N 1 2 365.547 2.411 40 0 FEABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2=O)CC1 ZINC000013636651 539589627 /nfs/dbraw/zinc/58/96/27/539589627.db2.gz FWNXQMOUUFLIQH-QGZVFWFLSA-N 1 2 358.438 2.210 40 0 FEABLO Cc1csc2c([C@H]3CCCN(C(=O)CCn4cncn4)C3)[nH+]c(C)n12 ZINC000019240419 539653529 /nfs/dbraw/zinc/65/35/29/539653529.db2.gz PSRNBQOJJIJWML-AWEZNQCLSA-N 1 2 358.471 2.400 40 0 FEABLO C[C@H](CC(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3C)ncc2C1)n1cccn1 ZINC000019455375 539657583 /nfs/dbraw/zinc/65/75/83/539657583.db2.gz MVTKYVNRLAWGNE-CRAIPNDOSA-N 1 2 368.485 2.366 40 0 FEABLO C[C@H](CC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3C)ncc2C1)n1cccn1 ZINC000019455375 539657587 /nfs/dbraw/zinc/65/75/87/539657587.db2.gz MVTKYVNRLAWGNE-CRAIPNDOSA-N 1 2 368.485 2.366 40 0 FEABLO Cc1cc(C)n(C)c(=O)c1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000019572241 539662240 /nfs/dbraw/zinc/66/22/40/539662240.db2.gz HGTYQKSLVRJEJR-KRWDZBQOSA-N 1 2 368.412 2.394 40 0 FEABLO CC(C)(C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1)c1cccc(F)c1 ZINC000019711266 539667476 /nfs/dbraw/zinc/66/74/76/539667476.db2.gz SABWBHJWUPUPTK-UHFFFAOYSA-N 1 2 371.460 2.204 40 0 FEABLO Cc1cc(-c2cnc(NCC[NH+]3CCOCC3)nc2-c2ccoc2)on1 ZINC000072396741 541804852 /nfs/dbraw/zinc/80/48/52/541804852.db2.gz NXQYYRKOEBRTFB-UHFFFAOYSA-N 1 2 355.398 2.444 40 0 FEABLO Cc1cc(C(=O)N2CC[NH+](C)CC2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010113016 204390908 /nfs/dbraw/zinc/39/09/08/204390908.db2.gz ZBSXNWGNWRCJIT-UHFFFAOYSA-N 1 2 373.478 2.183 40 0 FEABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccncc3)no2)cc1 ZINC000015674426 206316001 /nfs/dbraw/zinc/31/60/01/206316001.db2.gz MYWLMAMWYGTSBC-WBVHZDCISA-N 1 2 352.394 2.448 40 0 biogenic,in-vitro FEABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccncc3)no2)cc1 ZINC000015674426 206316005 /nfs/dbraw/zinc/31/60/05/206316005.db2.gz MYWLMAMWYGTSBC-WBVHZDCISA-N 1 2 352.394 2.448 40 0 biogenic,in-vitro FEABLO Cc1ncsc1C(=O)N1CCC(c2nccnc2-n2cc[nH+]c2)CC1 ZINC000072350679 221476596 /nfs/dbraw/zinc/47/65/96/221476596.db2.gz XLXLQXPQBNVSJM-UHFFFAOYSA-N 1 2 354.439 2.447 40 0 FEABLO Cc1ncccc1NC(=O)C1=NO[C@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096226120 542995952 /nfs/dbraw/zinc/99/59/52/542995952.db2.gz ZKEIIVJXBQLPFI-LJQANCHMSA-N 1 2 351.410 2.145 40 0 FEABLO Cc1ncccc1NC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096226120 542995953 /nfs/dbraw/zinc/99/59/53/542995953.db2.gz ZKEIIVJXBQLPFI-LJQANCHMSA-N 1 2 351.410 2.145 40 0 FEABLO Cc1nc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccn23)cs1 ZINC000096266736 542997891 /nfs/dbraw/zinc/99/78/91/542997891.db2.gz CPTVAJTVNXRUAN-UHFFFAOYSA-N 1 2 370.478 2.433 40 0 FEABLO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@@H+]1Cc1ccc(C)s1 ZINC000096061108 542989983 /nfs/dbraw/zinc/98/99/83/542989983.db2.gz PVDWJSPXAGSCQK-CQSZACIVSA-N 1 2 358.471 2.079 40 0 FEABLO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@H+]1Cc1ccc(C)s1 ZINC000096061108 542989985 /nfs/dbraw/zinc/98/99/85/542989985.db2.gz PVDWJSPXAGSCQK-CQSZACIVSA-N 1 2 358.471 2.079 40 0 FEABLO CCC[C@H](c1nnnn1CCOC)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670030 535722483 /nfs/dbraw/zinc/72/24/83/535722483.db2.gz WXNNXVJQPTXJFE-QGZVFWFLSA-N 1 2 362.453 2.122 40 0 FEABLO O=C(COC[C@H]1CN(Cc2cccs2)Cc2c[nH+]cn21)N1CCCC1 ZINC000247744187 549376671 /nfs/dbraw/zinc/37/66/71/549376671.db2.gz QEBGKPFALUKAIQ-MRXNPFEDSA-N 1 2 360.483 2.141 40 0 FEABLO CN(C)c1cccc([C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257239207 549720797 /nfs/dbraw/zinc/72/07/97/549720797.db2.gz HOJPIYLPQRKDEW-LJQANCHMSA-N 1 2 355.438 2.492 40 0 FEABLO CN(C)c1cccc([C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257239207 549720801 /nfs/dbraw/zinc/72/08/01/549720801.db2.gz HOJPIYLPQRKDEW-LJQANCHMSA-N 1 2 355.438 2.492 40 0 FEABLO CC(C)N1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2Oc2ncccc2S1(=O)=O ZINC000306134916 553749617 /nfs/dbraw/zinc/74/96/17/553749617.db2.gz OBPMUUIFUQFPIK-DLBZAZTESA-N 1 2 373.478 2.126 40 0 FEABLO CC(C)N1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2Oc2ncccc2S1(=O)=O ZINC000306134916 553749618 /nfs/dbraw/zinc/74/96/18/553749618.db2.gz OBPMUUIFUQFPIK-DLBZAZTESA-N 1 2 373.478 2.126 40 0 FEABLO CCC(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306135527 553749925 /nfs/dbraw/zinc/74/99/25/553749925.db2.gz OTZWVDZAXPLZRG-UZLBHIALSA-N 1 2 358.486 2.429 40 0 FEABLO Cc1ccc(OCC(=O)N2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)cc1 ZINC000306137611 553750181 /nfs/dbraw/zinc/75/01/81/553750181.db2.gz RBIKGDPYRGCUEV-QXAKKESOSA-N 1 2 367.449 2.354 40 0 FEABLO C[C@@]1([NH2+]CCOc2ccc(C=C3SC(=O)NC3=O)cc2)C=CC=CN1 ZINC000584577142 571186810 /nfs/dbraw/zinc/18/68/10/571186810.db2.gz VOAFFAIODQVEHG-NKAIQICCSA-N 1 2 357.435 2.368 40 0 FEABLO CCOC[C@@H]1CC[N@H+](C)C2(CN(S(=O)(=O)c3ccccc3Cl)C2)C1 ZINC000585102806 571223057 /nfs/dbraw/zinc/22/30/57/571223057.db2.gz IGWPSYCQZJXARN-CQSZACIVSA-N 1 2 372.918 2.461 40 0 FEABLO CCOC[C@@H]1CC[N@@H+](C)C2(CN(S(=O)(=O)c3ccccc3Cl)C2)C1 ZINC000585102806 571223058 /nfs/dbraw/zinc/22/30/58/571223058.db2.gz IGWPSYCQZJXARN-CQSZACIVSA-N 1 2 372.918 2.461 40 0 FEABLO CCS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccc(Cl)cc3)C2)OC1 ZINC000585104775 571224113 /nfs/dbraw/zinc/22/41/13/571224113.db2.gz MFZIDJGPYOAGLI-HNNXBMFYSA-N 1 2 372.918 2.260 40 0 FEABLO COc1ccc2cc(C[N@H+](C)[C@@]3(C)CCS(=O)(=O)C3)c(OC)nc2c1 ZINC000012118279 539544582 /nfs/dbraw/zinc/54/45/82/539544582.db2.gz CINJZHJLZXTQLN-SFHVURJKSA-N 1 2 364.467 2.261 40 0 FEABLO COc1ccc2cc(C[N@@H+](C)[C@@]3(C)CCS(=O)(=O)C3)c(OC)nc2c1 ZINC000012118279 539544585 /nfs/dbraw/zinc/54/45/85/539544585.db2.gz CINJZHJLZXTQLN-SFHVURJKSA-N 1 2 364.467 2.261 40 0 FEABLO CC(C)Cc1cc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)[nH]c(=O)n1 ZINC000019447489 539657317 /nfs/dbraw/zinc/65/73/17/539657317.db2.gz BVUBOQDSSKAAJW-UHFFFAOYSA-N 1 2 370.453 2.053 40 0 FEABLO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2cnn(CC)c2)CC1 ZINC000019523038 539657944 /nfs/dbraw/zinc/65/79/44/539657944.db2.gz YNNSTYVBDDOEES-UHFFFAOYSA-N 1 2 355.486 2.222 40 0 FEABLO C[NH+]1CCN(c2ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn2)CC1 ZINC000072216506 541795683 /nfs/dbraw/zinc/79/56/83/541795683.db2.gz VWCCJAUGUCQEGZ-UHFFFAOYSA-N 1 2 362.474 2.321 40 0 FEABLO O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)NCCCn1cc[nH+]c1 ZINC000036635269 205018747 /nfs/dbraw/zinc/01/87/47/205018747.db2.gz SJZMNNWNKMNFPB-AWEZNQCLSA-N 1 2 358.423 2.048 40 0 FEABLO Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)o1 ZINC000223124862 206432619 /nfs/dbraw/zinc/43/26/19/206432619.db2.gz FPZYWZWHVMIAGE-ROUUACIJSA-N 1 2 372.494 2.288 40 0 FEABLO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc(F)cc4)C(=O)CO3)C2)o1 ZINC000096051305 132217862 /nfs/dbraw/zinc/21/78/62/132217862.db2.gz FWIYOZKQQHHLRK-FQEVSTJZSA-N 1 2 374.412 2.362 40 0 FEABLO Cc1ccc(C[N@H+]2CCOC[C@@]3(CN(c4ccc(F)cc4)C(=O)CO3)C2)o1 ZINC000096051305 132217863 /nfs/dbraw/zinc/21/78/63/132217863.db2.gz FWIYOZKQQHHLRK-FQEVSTJZSA-N 1 2 374.412 2.362 40 0 FEABLO Cc1cccc(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)c1C ZINC000044241760 136121596 /nfs/dbraw/zinc/12/15/96/136121596.db2.gz OTUYMWAXSKLTBO-UHFFFAOYSA-N 1 2 370.526 2.202 40 0 FEABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccs2)C3)C[C@H](C)O1 ZINC000072335449 136144331 /nfs/dbraw/zinc/14/43/31/136144331.db2.gz MSYXQYXYEJABPD-STQMWFEESA-N 1 2 360.483 2.416 40 0 FEABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccs2)C3)C[C@H](C)O1 ZINC000072335449 136144332 /nfs/dbraw/zinc/14/43/32/136144332.db2.gz MSYXQYXYEJABPD-STQMWFEESA-N 1 2 360.483 2.416 40 0 FEABLO Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096043282 542988386 /nfs/dbraw/zinc/98/83/86/542988386.db2.gz KMHIWVDOPTXAJQ-IMJJTQAJSA-N 1 2 358.467 2.465 40 0 FEABLO Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096043282 542988389 /nfs/dbraw/zinc/98/83/89/542988389.db2.gz KMHIWVDOPTXAJQ-IMJJTQAJSA-N 1 2 358.467 2.465 40 0 FEABLO CCn1nc(C)cc1C(=O)N1Cc2[nH+]cn(C)c2[C@H](COCC2CC2)C1 ZINC000096044950 542989136 /nfs/dbraw/zinc/98/91/36/542989136.db2.gz PGFYUJKKPCQJMJ-HNNXBMFYSA-N 1 2 357.458 2.111 40 0 FEABLO CCOC[C@@H]1CN(C(=O)c2cnc(C)cn2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045130 542989407 /nfs/dbraw/zinc/98/94/07/542989407.db2.gz CVPDBZACYYLFEA-HNNXBMFYSA-N 1 2 355.442 2.168 40 0 FEABLO C[N@@H+](Cc1cn2c(n1)CN(C(=O)c1ccccn1)CC2)Cc1ccco1 ZINC000096059534 542990301 /nfs/dbraw/zinc/99/03/01/542990301.db2.gz IHZALBGDGAPRDK-UHFFFAOYSA-N 1 2 351.410 2.159 40 0 FEABLO C[N@H+](Cc1cn2c(n1)CN(C(=O)c1ccccn1)CC2)Cc1ccco1 ZINC000096059534 542990304 /nfs/dbraw/zinc/99/03/04/542990304.db2.gz IHZALBGDGAPRDK-UHFFFAOYSA-N 1 2 351.410 2.159 40 0 FEABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccccc3CC)C2=O)CC1 ZINC000104278554 543127941 /nfs/dbraw/zinc/12/79/41/543127941.db2.gz HBKIQLFZSSQYKL-KRWDZBQOSA-N 1 2 358.438 2.156 40 0 FEABLO CCC[NH+]1CCN(C(=O)CSc2nc(-c3ccccc3C)n[nH]2)CC1 ZINC000020195654 519855823 /nfs/dbraw/zinc/85/58/23/519855823.db2.gz PZHXLNUXJJQLAI-UHFFFAOYSA-N 1 2 359.499 2.426 40 0 FEABLO O=C(Cn1cnc2ccccc21)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000223810100 548724650 /nfs/dbraw/zinc/72/46/50/548724650.db2.gz YLTOVAHDBPUYKH-UHFFFAOYSA-N 1 2 374.448 2.028 40 0 FEABLO COc1cc(C[NH+]2CC3(C2)C[C@@H](Oc2cnccn2)CCO3)cc(OC)c1 ZINC000247874376 549388397 /nfs/dbraw/zinc/38/83/97/549388397.db2.gz GFEALVKJPUDSGE-INIZCTEOSA-N 1 2 371.437 2.306 40 0 FEABLO O=C(c1cscn1)N1Cc2ccnn2C[C@@H](CNc2cccc[nH+]2)C1 ZINC000247880072 549388864 /nfs/dbraw/zinc/38/88/64/549388864.db2.gz VLDKMYZWOJYJOU-ZDUSSCGKSA-N 1 2 354.439 2.119 40 0 FEABLO CN(C)c1cc(N2CC3(C2)C[C@H](Oc2ncccc2F)CS3)nc[nH+]1 ZINC000248132696 549409305 /nfs/dbraw/zinc/40/93/05/549409305.db2.gz QTVIZQOHKWTSIM-LBPRGKRZSA-N 1 2 361.446 2.220 40 0 FEABLO CN(C)c1cc(N2CC3(C2)C[C@H](Oc2ncccc2F)CS3)[nH+]cn1 ZINC000248132696 549409311 /nfs/dbraw/zinc/40/93/11/549409311.db2.gz QTVIZQOHKWTSIM-LBPRGKRZSA-N 1 2 361.446 2.220 40 0 FEABLO CN(C)c1cc(N2CC3(C2)C[C@@H](OCc2cccnc2)CS3)nc[nH+]1 ZINC000248148809 549411650 /nfs/dbraw/zinc/41/16/50/549411650.db2.gz WQMRUPKUKPVACZ-OAHLLOKOSA-N 1 2 357.483 2.219 40 0 FEABLO CN(C)c1cc(N2CC3(C2)C[C@@H](OCc2cccnc2)CS3)[nH+]cn1 ZINC000248148809 549411655 /nfs/dbraw/zinc/41/16/55/549411655.db2.gz WQMRUPKUKPVACZ-OAHLLOKOSA-N 1 2 357.483 2.219 40 0 FEABLO CCn1c(C)nc2cc(C(=O)N[C@@H]3CCC[C@@H](n4cc[nH+]c4)[C@@H]3O)ccc21 ZINC000257218135 549718540 /nfs/dbraw/zinc/71/85/40/549718540.db2.gz DBZGTWLAADZLQW-ATZDWAIDSA-N 1 2 367.453 2.446 40 0 FEABLO O=C(c1cncs1)N1CCC[C@@H]1c1ccnc(C[NH+]2CCOCC2)c1 ZINC000257252957 549721810 /nfs/dbraw/zinc/72/18/10/549721810.db2.gz JWXGDELOKUUDJR-MRXNPFEDSA-N 1 2 358.467 2.348 40 0 FEABLO Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)ncn1 ZINC000257278839 549724427 /nfs/dbraw/zinc/72/44/27/549724427.db2.gz ODWCGINWGBPPMP-HNNXBMFYSA-N 1 2 366.425 2.036 40 0 FEABLO CN(C)c1cc([C@H]2CCCN2C(=O)Cn2nc3ccccc3n2)cc[nH+]1 ZINC000257312868 549726580 /nfs/dbraw/zinc/72/65/80/549726580.db2.gz UPWZGGNMOSSZKE-QGZVFWFLSA-N 1 2 350.426 2.256 40 0 FEABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCO)n2)c(OC)c1 ZINC000329065046 553873780 /nfs/dbraw/zinc/87/37/80/553873780.db2.gz XNVMLTPXEUDMSQ-UHFFFAOYSA-N 1 2 366.421 2.152 40 0 FEABLO CO[C@H]1CCCN(C(=O)/C=C/C[NH+]2CCOCC2)[C@H]1Cc1ccccc1 ZINC000585290585 570495925 /nfs/dbraw/zinc/49/59/25/570495925.db2.gz FPVLGFPQNZOPSO-UPBJVAEDSA-N 1 2 358.482 2.124 40 0 FEABLO C[C@H]1c2[nH+]cc(CCOCC3CCC3)n2CCN1C(=O)c1ccnn1C ZINC000585097706 571220532 /nfs/dbraw/zinc/22/05/32/571220532.db2.gz MYJBLYZEFQSYNY-AWEZNQCLSA-N 1 2 357.458 2.193 40 0 FEABLO C[C@@H]1c2[nH+]cc(CCOCc3ccccn3)n2CCN1Cc1cn[nH]c1 ZINC000585097002 571221196 /nfs/dbraw/zinc/22/11/96/571221196.db2.gz DJYZKVSLLLWTGB-OAHLLOKOSA-N 1 2 352.442 2.337 40 0 FEABLO C[C@@H]1c2ncc(CCOCc3ccccn3)n2CC[N@H+]1Cc1cn[nH]c1 ZINC000585097002 571221198 /nfs/dbraw/zinc/22/11/98/571221198.db2.gz DJYZKVSLLLWTGB-OAHLLOKOSA-N 1 2 352.442 2.337 40 0 FEABLO C[C@@H]1c2ncc(CCOCc3ccccn3)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585097002 571221200 /nfs/dbraw/zinc/22/12/00/571221200.db2.gz DJYZKVSLLLWTGB-OAHLLOKOSA-N 1 2 352.442 2.337 40 0 FEABLO CCS(=O)(=O)NCC[C@H]1C[N@H+](Cc2cccc(C)c2)Cc2ccnn21 ZINC000585111935 571225787 /nfs/dbraw/zinc/22/57/87/571225787.db2.gz DUMQLFYZZYCCFF-SFHVURJKSA-N 1 2 362.499 2.078 40 0 FEABLO CCS(=O)(=O)NCC[C@H]1C[N@@H+](Cc2cccc(C)c2)Cc2ccnn21 ZINC000585111935 571225788 /nfs/dbraw/zinc/22/57/88/571225788.db2.gz DUMQLFYZZYCCFF-SFHVURJKSA-N 1 2 362.499 2.078 40 0 FEABLO C[C@@]1(C(=O)N2CCc3[nH+]cc(CNC(=O)CC4CC4)n3CC2)CC=CCC1 ZINC000585110661 571226551 /nfs/dbraw/zinc/22/65/51/571226551.db2.gz XDNPVINYBVNPBE-OAQYLSRUSA-N 1 2 370.497 2.431 40 0 FEABLO Cc1nc(C)n(CC(=O)N2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)n1 ZINC000019118957 539651181 /nfs/dbraw/zinc/65/11/81/539651181.db2.gz BVWNXNDKXRQYTB-UHFFFAOYSA-N 1 2 364.453 2.100 40 0 FEABLO C[C@H](CC(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3C)ncc2C1)n1cccn1 ZINC000019455371 539656974 /nfs/dbraw/zinc/65/69/74/539656974.db2.gz MVTKYVNRLAWGNE-QAPCUYQASA-N 1 2 368.485 2.366 40 0 FEABLO C[C@H](CC(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3C)ncc2C1)n1cccn1 ZINC000019455371 539656979 /nfs/dbraw/zinc/65/69/79/539656979.db2.gz MVTKYVNRLAWGNE-QAPCUYQASA-N 1 2 368.485 2.366 40 0 FEABLO CCn1nc(C)c(C[N@H+]2CCc3nc4sccc4c(=O)n3CC2)c1C ZINC000019523841 539659320 /nfs/dbraw/zinc/65/93/20/539659320.db2.gz WDLKYPFNPZKVOM-UHFFFAOYSA-N 1 2 357.483 2.350 40 0 FEABLO CCn1nc(C)c(C[N@@H+]2CCc3nc4sccc4c(=O)n3CC2)c1C ZINC000019523841 539659325 /nfs/dbraw/zinc/65/93/25/539659325.db2.gz WDLKYPFNPZKVOM-UHFFFAOYSA-N 1 2 357.483 2.350 40 0 FEABLO COc1ccccc1OCCC[NH+]1CCN(C(=O)c2cncnc2C)CC1 ZINC000019552963 539659817 /nfs/dbraw/zinc/65/98/17/539659817.db2.gz BUZGVQVVCKRSDQ-UHFFFAOYSA-N 1 2 370.453 2.021 40 0 FEABLO Cc1nnnn1-c1cccc(NC(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000019661341 539664383 /nfs/dbraw/zinc/66/43/83/539664383.db2.gz GEVBCMBDYNGORU-QGZVFWFLSA-N 1 2 354.389 2.351 40 0 FEABLO O=C(C[NH+]1CCC(Oc2cnccn2)CC1)N1CCCc2ccccc21 ZINC000019659174 539664551 /nfs/dbraw/zinc/66/45/51/539664551.db2.gz RWPRIEOXUSOHNJ-UHFFFAOYSA-N 1 2 352.438 2.299 40 0 FEABLO CN1CC[N@H+](Cc2cnc(N3CCOCC3)s2)[C@@H](c2ccccc2)C1 ZINC000019664395 539665043 /nfs/dbraw/zinc/66/50/43/539665043.db2.gz BFUKLFFOAKQICV-GOSISDBHSA-N 1 2 358.511 2.468 40 0 FEABLO CN1CC[N@@H+](Cc2cnc(N3CCOCC3)s2)[C@@H](c2ccccc2)C1 ZINC000019664395 539665046 /nfs/dbraw/zinc/66/50/46/539665046.db2.gz BFUKLFFOAKQICV-GOSISDBHSA-N 1 2 358.511 2.468 40 0 FEABLO COC[C@@H](C)NC(=O)C[N@@H+]1CCc2nc(-c3ccccc3F)sc2C1 ZINC000019719889 539668591 /nfs/dbraw/zinc/66/85/91/539668591.db2.gz HLBCAXZNRWYWDY-GFCCVEGCSA-N 1 2 363.458 2.458 40 0 FEABLO COC[C@@H](C)NC(=O)C[N@H+]1CCc2nc(-c3ccccc3F)sc2C1 ZINC000019719889 539668593 /nfs/dbraw/zinc/66/85/93/539668593.db2.gz HLBCAXZNRWYWDY-GFCCVEGCSA-N 1 2 363.458 2.458 40 0 FEABLO C[NH+]1CCN(c2ncccc2C(=O)CCCNC(=O)OC(C)(C)C)CC1 ZINC000072216566 541795624 /nfs/dbraw/zinc/79/56/24/541795624.db2.gz QOSDUURFUBPQJP-UHFFFAOYSA-N 1 2 362.474 2.321 40 0 FEABLO CCc1nc(=O)c2ccccc2n1C1=CC[N@H+](CC(=O)NCC(C)C)CC1 ZINC000072338411 541800368 /nfs/dbraw/zinc/80/03/68/541800368.db2.gz AEGLFYALZPHXIP-UHFFFAOYSA-N 1 2 368.481 2.278 40 0 FEABLO CCc1nc(=O)c2ccccc2n1C1=CC[N@@H+](CC(=O)NCC(C)C)CC1 ZINC000072338411 541800372 /nfs/dbraw/zinc/80/03/72/541800372.db2.gz AEGLFYALZPHXIP-UHFFFAOYSA-N 1 2 368.481 2.278 40 0 FEABLO CCS(=O)(=O)c1ccc2oc([C@H]3CCN(Cc4[nH]cc[nH+]4)C3)nc2c1 ZINC000035446890 204283276 /nfs/dbraw/zinc/28/32/76/204283276.db2.gz WUYWXBJOFGPFLJ-LBPRGKRZSA-N 1 2 360.439 2.334 40 0 biogenic,in-vitro FEABLO Cn1ccnc1C[N@@H+]1CCOC[C@@]2(C[C@@H](CNc3ccccc3)CO2)C1 ZINC000107243479 206016624 /nfs/dbraw/zinc/01/66/24/206016624.db2.gz OWJVHMMTWBUSTI-FXAWDEMLSA-N 1 2 356.470 2.140 40 0 FEABLO Cn1ccnc1C[N@H+]1CCOC[C@@]2(C[C@@H](CNc3ccccc3)CO2)C1 ZINC000107243479 206016630 /nfs/dbraw/zinc/01/66/30/206016630.db2.gz OWJVHMMTWBUSTI-FXAWDEMLSA-N 1 2 356.470 2.140 40 0 FEABLO Cn1cc[nH+]c1CN1CCOC[C@@]2(C[C@@H](CNc3ccccc3)CO2)C1 ZINC000107243479 206016632 /nfs/dbraw/zinc/01/66/32/206016632.db2.gz OWJVHMMTWBUSTI-FXAWDEMLSA-N 1 2 356.470 2.140 40 0 FEABLO CCOC(=O)CC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000004409963 206177703 /nfs/dbraw/zinc/17/77/03/206177703.db2.gz LJSJXDOWLOKVDM-UHFFFAOYSA-N 1 2 356.407 2.430 40 0 FEABLO COc1ccc(C2(O)CC[NH+](CC(=O)Nc3ncc(C)s3)CC2)cc1 ZINC000004967614 206187646 /nfs/dbraw/zinc/18/76/46/206187646.db2.gz VQRICDNAZGHMIA-UHFFFAOYSA-N 1 2 361.467 2.382 40 0 FEABLO O=C(NCCC[NH+]1CCOCC1)Nc1c[nH]c2cc(Cl)ccc2c1=O ZINC000013565962 206303096 /nfs/dbraw/zinc/30/30/96/206303096.db2.gz RBEPVKXZSJRABM-UHFFFAOYSA-N 1 2 364.833 2.025 40 0 FEABLO Cc1nc(C[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)cc(C(=O)N(C)C)n1 ZINC000257317904 132297232 /nfs/dbraw/zinc/29/72/32/132297232.db2.gz VLQHYGQPCUFKNW-OAHLLOKOSA-N 1 2 354.458 2.044 40 0 FEABLO Cn1cc(-c2cnc3c(N4CC[NH+](Cc5ccoc5)CC4)nccn23)cn1 ZINC000306144816 132301929 /nfs/dbraw/zinc/30/19/29/132301929.db2.gz ZPGXTXXDOPXEEE-UHFFFAOYSA-N 1 2 363.425 2.045 40 0 FEABLO Cc1cccc(C[N@H+]2CCc3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)C2)n1 ZINC000072335606 136144469 /nfs/dbraw/zinc/14/44/69/136144469.db2.gz GVTGYXNVTRJXRU-HNNXBMFYSA-N 1 2 353.470 2.410 40 0 FEABLO Cc1cccc(C[N@@H+]2CCc3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)C2)n1 ZINC000072335606 136144470 /nfs/dbraw/zinc/14/44/70/136144470.db2.gz GVTGYXNVTRJXRU-HNNXBMFYSA-N 1 2 353.470 2.410 40 0 FEABLO O=C(Cc1ccc(F)cc1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096084737 542991353 /nfs/dbraw/zinc/99/13/53/542991353.db2.gz NJCDJJLWFJNPMW-UHFFFAOYSA-N 1 2 371.460 2.378 40 0 FEABLO Cc1cnc(C(=O)N2Cc3c[nH+]cn3C[C@H](COCC3CCC3)C2)cn1 ZINC000096206619 542995019 /nfs/dbraw/zinc/99/50/19/542995019.db2.gz WFRFDLTUJNYISR-MRXNPFEDSA-N 1 2 355.442 2.070 40 0 FEABLO O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000096226065 542996345 /nfs/dbraw/zinc/99/63/45/542996345.db2.gz PVYBDQZCTROCHV-IBGZPJMESA-N 1 2 357.385 2.456 40 0 FEABLO O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096226065 542996347 /nfs/dbraw/zinc/99/63/47/542996347.db2.gz PVYBDQZCTROCHV-IBGZPJMESA-N 1 2 357.385 2.456 40 0 FEABLO CC(C)CNc1[nH+]c2c(cc1C(=O)N(C)C)CCN(c1ncccn1)CC2 ZINC000096260508 542997846 /nfs/dbraw/zinc/99/78/46/542997846.db2.gz CWRPSJFKQRTUGY-UHFFFAOYSA-N 1 2 368.485 2.247 40 0 FEABLO O=S(=O)(c1ccccc1)N1CCCn2cnc(C[NH+]3CCCC3)c2C1 ZINC000096259331 542998079 /nfs/dbraw/zinc/99/80/79/542998079.db2.gz DYZDCMOGUBEPEV-UHFFFAOYSA-N 1 2 360.483 2.074 40 0 FEABLO O=C(NCC[C@H]1CCOC12C[NH+](Cc1ccccc1F)C2)c1ccno1 ZINC000247516653 549348761 /nfs/dbraw/zinc/34/87/61/549348761.db2.gz VXOQRBRKHKBBIY-HNNXBMFYSA-N 1 2 359.401 2.225 40 0 FEABLO O=S1(=O)CC[C@@H](COCc2ccccn2)C12C[NH+](C1CCCC1)C2 ZINC000247346309 549322494 /nfs/dbraw/zinc/32/24/94/549322494.db2.gz UPUMLZDIDHSONC-HNNXBMFYSA-N 1 2 350.484 2.030 40 0 FEABLO O=C(COC1CCCC1)N1CC2(C1)OCC[C@@H]2CCNc1cccc[nH+]1 ZINC000247756157 549378034 /nfs/dbraw/zinc/37/80/34/549378034.db2.gz ZQRHBROMZAOICW-INIZCTEOSA-N 1 2 359.470 2.460 40 0 FEABLO Cc1nc(C(=O)N2Cc3ccnn3C[C@H](CNc3cccc[nH+]3)C2)cs1 ZINC000248029843 549401656 /nfs/dbraw/zinc/40/16/56/549401656.db2.gz LQINQTXUTOTQDF-CQSZACIVSA-N 1 2 368.466 2.427 40 0 FEABLO Cc1ncoc1C(=O)N1Cc2c[nH+]cn2[C@@H](COCc2cccc(C)n2)C1 ZINC000248073480 549406060 /nfs/dbraw/zinc/40/60/60/549406060.db2.gz ZDGMYZBHUFVENH-QGZVFWFLSA-N 1 2 367.409 2.297 40 0 FEABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@H]2CCNC(=O)c1ccco1 ZINC000248073445 549406107 /nfs/dbraw/zinc/40/61/07/549406107.db2.gz YXOWMSVOCVNCIB-CQSZACIVSA-N 1 2 361.467 2.456 40 0 FEABLO c1cnc(O[C@H]2CCOC3(C[NH+](Cc4ccc5c(c4)OCO5)C3)C2)cn1 ZINC000248339299 549421095 /nfs/dbraw/zinc/42/10/95/549421095.db2.gz SRMYCGZRGALABZ-HNNXBMFYSA-N 1 2 355.394 2.018 40 0 FEABLO Cc1ccoc1C(=O)N1Cc2c[nH+]cn2[C@@H](COc2nccc(C)n2)C1 ZINC000253480960 549689443 /nfs/dbraw/zinc/68/94/43/549689443.db2.gz ZYUGKOZMSCIPMQ-OAHLLOKOSA-N 1 2 353.382 2.159 40 0 FEABLO CN(c1ccc(F)cc1)[C@H]1COC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC000257270213 549722744 /nfs/dbraw/zinc/72/27/44/549722744.db2.gz MTEVMXAXBOZNMJ-GOSISDBHSA-N 1 2 372.444 2.309 40 0 FEABLO CCc1noc(CCC(=O)N2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)n1 ZINC000257312912 549726211 /nfs/dbraw/zinc/72/62/11/549726211.db2.gz UQDZNKQFVSEPIM-HNNXBMFYSA-N 1 2 357.458 2.432 40 0 FEABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccn1 ZINC000261364023 549730174 /nfs/dbraw/zinc/73/01/74/549730174.db2.gz YYLXHANNMFIHNE-KRWDZBQOSA-O 1 2 366.426 2.167 40 0 FEABLO O=S(=O)(NC[C@H]1CCc2[nH+]cc(-c3ccncc3)n21)c1ccccc1 ZINC000306126854 553749107 /nfs/dbraw/zinc/74/91/07/553749107.db2.gz FHFFKCCOQIFBJU-OAHLLOKOSA-N 1 2 354.435 2.411 40 0 FEABLO CCC(=O)N1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3ccc(F)cc3)n12 ZINC000306140588 553750809 /nfs/dbraw/zinc/75/08/09/553750809.db2.gz UYFCLXXSOZVWJI-UHFFFAOYSA-N 1 2 357.433 2.257 40 0 FEABLO CCC(=O)N1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3ccc(F)cc3)n12 ZINC000306140588 553750815 /nfs/dbraw/zinc/75/08/15/553750815.db2.gz UYFCLXXSOZVWJI-UHFFFAOYSA-N 1 2 357.433 2.257 40 0 FEABLO Cc1ccc(OC[C@@]2(O)CCCN(C(=O)CCCn3cc[nH+]c3)C2)cc1 ZINC000585271318 570485429 /nfs/dbraw/zinc/48/54/29/570485429.db2.gz GAKFUURPTWJSHD-HXUWFJFHSA-N 1 2 357.454 2.404 40 0 FEABLO Cc1cccc(OC[C@]2(O)CCCN(C(=O)CCCn3cc[nH+]c3)C2)c1 ZINC000585272714 570486804 /nfs/dbraw/zinc/48/68/04/570486804.db2.gz PUEJGNHBNZMROL-FQEVSTJZSA-N 1 2 357.454 2.404 40 0 FEABLO C[C@]1(COc2cccnc2)C[C@@H]2CN(C(=O)C=Cc3c[nH]c[nH+]3)CC[C@@H]2O1 ZINC000585291558 570496411 /nfs/dbraw/zinc/49/64/11/570496411.db2.gz QBMLLEHXHVMUCK-DGLVXXGDSA-N 1 2 368.437 2.293 40 0 FEABLO O=C(c1ccnnc1)N1Cc2cccn2C[C@@H](CCNc2cccc[nH+]2)C1 ZINC000585095427 571219973 /nfs/dbraw/zinc/21/99/73/571219973.db2.gz QMVOEJXMOIPUNU-MRXNPFEDSA-N 1 2 362.437 2.448 40 0 FEABLO Cn1nccc1C(=O)NCC[C@H]1C[N@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112142 571226034 /nfs/dbraw/zinc/22/60/34/571226034.db2.gz JADZYMFLIOMVQY-AWEZNQCLSA-N 1 2 370.482 2.055 40 0 FEABLO Cn1nccc1C(=O)NCC[C@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112142 571226036 /nfs/dbraw/zinc/22/60/36/571226036.db2.gz JADZYMFLIOMVQY-AWEZNQCLSA-N 1 2 370.482 2.055 40 0 FEABLO CCOc1cc(C(=S)N2CC[NH+](C)CC2)cc(Br)c1O ZINC000006958626 539443048 /nfs/dbraw/zinc/44/30/48/539443048.db2.gz PTCQMIKUENBENY-UHFFFAOYSA-N 1 2 359.289 2.476 40 0 FEABLO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000030858688 539892401 /nfs/dbraw/zinc/89/24/01/539892401.db2.gz SHJBWFACHLQPCF-UHFFFAOYSA-N 1 2 373.434 2.368 40 0 FEABLO [NH3+][C@H](CCC[C@]([NH3+])(C(=O)[O-])C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000059832374 205283564 /nfs/dbraw/zinc/28/35/64/205283564.db2.gz KCERZKANANQKNA-OXQOHEQNSA-N 1 2 354.406 2.032 40 0 FEABLO Cn1ccnc1C[N@@H+]1CCOC[C@]2(C[C@@H](CNc3cccc(F)c3)CO2)C1 ZINC000107243520 206016890 /nfs/dbraw/zinc/01/68/90/206016890.db2.gz PFRRPCMROYPUSO-JXFKEZNVSA-N 1 2 374.460 2.279 40 0 FEABLO Cn1ccnc1C[N@H+]1CCOC[C@]2(C[C@@H](CNc3cccc(F)c3)CO2)C1 ZINC000107243520 206016892 /nfs/dbraw/zinc/01/68/92/206016892.db2.gz PFRRPCMROYPUSO-JXFKEZNVSA-N 1 2 374.460 2.279 40 0 FEABLO Cn1cc[nH+]c1CN1CCOC[C@]2(C[C@@H](CNc3cccc(F)c3)CO2)C1 ZINC000107243520 206016898 /nfs/dbraw/zinc/01/68/98/206016898.db2.gz PFRRPCMROYPUSO-JXFKEZNVSA-N 1 2 374.460 2.279 40 0 FEABLO CCCn1c[nH+]c2c1CN(C(=O)c1ccc(N(C)C)cc1)[C@H](C(=O)OC)C2 ZINC000015707018 206315377 /nfs/dbraw/zinc/31/53/77/206315377.db2.gz OWZSSIPJVAYNEI-KRWDZBQOSA-N 1 2 370.453 2.099 40 0 biogenic,in-vitro FEABLO O=C1CO[C@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1ccco1)C2 ZINC000096051292 132217793 /nfs/dbraw/zinc/21/77/93/132217793.db2.gz ZAEYJJIFURTOBV-LJQANCHMSA-N 1 2 360.385 2.053 40 0 FEABLO O=C1CO[C@]2(CN1c1ccc(F)cc1)COCC[N@@H+](Cc1ccco1)C2 ZINC000096051292 132217794 /nfs/dbraw/zinc/21/77/94/132217794.db2.gz ZAEYJJIFURTOBV-LJQANCHMSA-N 1 2 360.385 2.053 40 0 FEABLO Cn1cnc2c1[C@@H](COCC1CCOCC1)C[N@H+](Cc1cccnc1)C2 ZINC000096044983 542988984 /nfs/dbraw/zinc/98/89/84/542988984.db2.gz JGANIGFSPLLBGN-GOSISDBHSA-N 1 2 356.470 2.358 40 0 FEABLO Cn1cnc2c1[C@@H](COCC1CCOCC1)C[N@@H+](Cc1cccnc1)C2 ZINC000096044983 542988988 /nfs/dbraw/zinc/98/89/88/542988988.db2.gz JGANIGFSPLLBGN-GOSISDBHSA-N 1 2 356.470 2.358 40 0 FEABLO Cn1c[nH+]c2c1[C@H](COCC1CCOCC1)CN(C(=O)C1CC=CC1)C2 ZINC000096045010 542989043 /nfs/dbraw/zinc/98/90/43/542989043.db2.gz XZLYKXLXLXHHLK-KRWDZBQOSA-N 1 2 359.470 2.255 40 0 FEABLO Cn1c[nH+]c2c1[C@@H](COCC1CCCC1)CN(C(=O)c1ccncn1)C2 ZINC000096044961 542989072 /nfs/dbraw/zinc/98/90/72/542989072.db2.gz DWDNLGJQWLBSJZ-OAHLLOKOSA-N 1 2 355.442 2.157 40 0 FEABLO Cc1c(C[N@@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)cnn1C ZINC000100752964 543026027 /nfs/dbraw/zinc/02/60/27/543026027.db2.gz PELLVAMOSHWEQH-UHFFFAOYSA-N 1 2 354.458 2.333 40 0 FEABLO Cc1c(C[N@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)cnn1C ZINC000100752964 543026030 /nfs/dbraw/zinc/02/60/30/543026030.db2.gz PELLVAMOSHWEQH-UHFFFAOYSA-N 1 2 354.458 2.333 40 0 FEABLO CCCOc1ccc(N2C(=O)C[C@@H]([N@H+](C)Cc3cn(C)nc3C)C2=O)cc1 ZINC000101622819 543037624 /nfs/dbraw/zinc/03/76/24/543037624.db2.gz HYTAMUXYFIWXJB-GOSISDBHSA-N 1 2 370.453 2.281 40 0 FEABLO CCCOc1ccc(N2C(=O)C[C@@H]([N@@H+](C)Cc3cn(C)nc3C)C2=O)cc1 ZINC000101622819 543037627 /nfs/dbraw/zinc/03/76/27/543037627.db2.gz HYTAMUXYFIWXJB-GOSISDBHSA-N 1 2 370.453 2.281 40 0 FEABLO CSc1nnc([C@@H]2CCC[N@H+](CC(=O)N[C@H]3CCCC[C@H]3C)C2)n1C ZINC000245230061 526229689 /nfs/dbraw/zinc/22/96/89/526229689.db2.gz KWVPCEYTUUHIGH-KFWWJZLASA-N 1 2 365.547 2.411 40 0 FEABLO CSc1nnc([C@@H]2CCC[N@@H+](CC(=O)N[C@H]3CCCC[C@H]3C)C2)n1C ZINC000245230061 526229695 /nfs/dbraw/zinc/22/96/95/526229695.db2.gz KWVPCEYTUUHIGH-KFWWJZLASA-N 1 2 365.547 2.411 40 0 FEABLO O=C(COCC[C@@H]1CCOC2(C[NH+](Cc3ccccn3)C2)C1)N1CCCC1 ZINC000247741143 549376466 /nfs/dbraw/zinc/37/64/66/549376466.db2.gz OFDLFOIIHKOWOL-GOSISDBHSA-N 1 2 373.497 2.092 40 0 FEABLO O=C(c1cccc2c1OCCO2)N1Cc2c[nH+]cn2[C@@H](COCC2CC2)C1 ZINC000247961787 549395791 /nfs/dbraw/zinc/39/57/91/549395791.db2.gz XWJQGHJPYSUDJO-MRXNPFEDSA-N 1 2 369.421 2.278 40 0 FEABLO Cn1cnc2c1[C@@H](C(=O)N1CCC1)C[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC000248035267 549401410 /nfs/dbraw/zinc/40/14/10/549401410.db2.gz MMTLUMPFLUGFFY-INIZCTEOSA-N 1 2 374.872 2.284 40 0 FEABLO Cn1cnc2c1[C@@H](C(=O)N1CCC1)C[N@@H+](CCOc1ccc(Cl)cc1)C2 ZINC000248035267 549401414 /nfs/dbraw/zinc/40/14/14/549401414.db2.gz MMTLUMPFLUGFFY-INIZCTEOSA-N 1 2 374.872 2.284 40 0 FEABLO COCCNC(=O)Cc1cn2c(n1)[C@@H](C)[N@@H+](Cc1sccc1C)CC2 ZINC000253599774 549697279 /nfs/dbraw/zinc/69/72/79/549697279.db2.gz UHTJNGYSJXFNTR-CQSZACIVSA-N 1 2 362.499 2.135 40 0 FEABLO COCCNC(=O)Cc1cn2c(n1)[C@@H](C)[N@H+](Cc1sccc1C)CC2 ZINC000253599774 549697284 /nfs/dbraw/zinc/69/72/84/549697284.db2.gz UHTJNGYSJXFNTR-CQSZACIVSA-N 1 2 362.499 2.135 40 0 FEABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1C1CCN(C(C)=O)CC1 ZINC000257218537 549718807 /nfs/dbraw/zinc/71/88/07/549718807.db2.gz DDMGVQUHYUHTKY-SFHVURJKSA-N 1 2 354.454 2.460 40 0 FEABLO COc1ccc(C[N@@H+]2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)c(OC)c1 ZINC000257242561 549721101 /nfs/dbraw/zinc/72/11/01/549721101.db2.gz IDCZNIVDUMAPND-KRWDZBQOSA-N 1 2 359.426 2.033 40 0 FEABLO COc1ccc(C[N@H+]2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)c(OC)c1 ZINC000257242561 549721103 /nfs/dbraw/zinc/72/11/03/549721103.db2.gz IDCZNIVDUMAPND-KRWDZBQOSA-N 1 2 359.426 2.033 40 0 FEABLO CC(=O)NCc1cccc(-c2cccnc2C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000257247383 549721177 /nfs/dbraw/zinc/72/11/77/549721177.db2.gz IYTXLXIKYQZKNZ-UHFFFAOYSA-N 1 2 363.421 2.048 40 0 FEABLO O=C(NC[C@@]1(O)CCN(c2cccc[nH+]2)C1)c1ccc2c(c1)CCCC2 ZINC000257252503 549722162 /nfs/dbraw/zinc/72/21/62/549722162.db2.gz JVADRTRJMISGMD-NRFANRHFSA-N 1 2 351.450 2.332 40 0 FEABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000257320541 549727664 /nfs/dbraw/zinc/72/76/64/549727664.db2.gz VXGPSGZSRZHLBW-CYBMUJFWSA-N 1 2 351.447 2.407 40 0 FEABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000257320541 549727667 /nfs/dbraw/zinc/72/76/67/549727667.db2.gz VXGPSGZSRZHLBW-CYBMUJFWSA-N 1 2 351.447 2.407 40 0 FEABLO Cc1cc(C[N@H+]2Cc3ccnn3[C@@H](CCOCC3CCOCC3)C2)n(C)n1 ZINC000306130010 553748944 /nfs/dbraw/zinc/74/89/44/553748944.db2.gz ITXZZMAKOBQINY-IBGZPJMESA-N 1 2 373.501 2.315 40 0 FEABLO Cc1cc(C[N@@H+]2Cc3ccnn3[C@@H](CCOCC3CCOCC3)C2)n(C)n1 ZINC000306130010 553748947 /nfs/dbraw/zinc/74/89/47/553748947.db2.gz ITXZZMAKOBQINY-IBGZPJMESA-N 1 2 373.501 2.315 40 0 FEABLO COc1ccc(C(=O)N2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)cc1F ZINC000306136421 553750371 /nfs/dbraw/zinc/75/03/71/553750371.db2.gz PSZDGUATJFQFGD-HDMKZQKVSA-N 1 2 371.412 2.428 40 0 FEABLO CO[C@H]1CCCN(C(=O)/C=C/C[NH+]2CCOCC2)[C@H]1Cc1ccc(C)cc1 ZINC000585290939 570496288 /nfs/dbraw/zinc/49/62/88/570496288.db2.gz JBRCDCLESRRVRC-QSTNGILNSA-N 1 2 372.509 2.432 40 0 FEABLO COCCc1c[nH+]c2n1CCN(C(=O)COc1ccccc1OC)[C@H]2C ZINC000585097303 571220337 /nfs/dbraw/zinc/22/03/37/571220337.db2.gz IIHFXADPLKFPFJ-AWEZNQCLSA-N 1 2 359.426 2.063 40 0 FEABLO COc1cc(CN2CCc3c(N)nc(N4CCCC4)[nH+]c3C2)cc(OC)c1 ZINC000012222554 539550670 /nfs/dbraw/zinc/55/06/70/539550670.db2.gz YKOXCRXZKURCAQ-UHFFFAOYSA-N 1 2 369.469 2.235 40 0 FEABLO COc1cc(C[N@@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)cc(OC)c1 ZINC000012222554 539550674 /nfs/dbraw/zinc/55/06/74/539550674.db2.gz YKOXCRXZKURCAQ-UHFFFAOYSA-N 1 2 369.469 2.235 40 0 FEABLO COc1cc(C[N@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)cc(OC)c1 ZINC000012222554 539550679 /nfs/dbraw/zinc/55/06/79/539550679.db2.gz YKOXCRXZKURCAQ-UHFFFAOYSA-N 1 2 369.469 2.235 40 0 FEABLO COc1ccc(OC)c(CN2CCc3c(N)nc(N4CCCC4)[nH+]c3C2)c1 ZINC000012222585 539550265 /nfs/dbraw/zinc/55/02/65/539550265.db2.gz KLOQILAZIXMGIW-UHFFFAOYSA-N 1 2 369.469 2.235 40 0 FEABLO COc1ccc(OC)c(C[N@@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)c1 ZINC000012222585 539550268 /nfs/dbraw/zinc/55/02/68/539550268.db2.gz KLOQILAZIXMGIW-UHFFFAOYSA-N 1 2 369.469 2.235 40 0 FEABLO COc1ccc(OC)c(C[N@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)c1 ZINC000012222585 539550272 /nfs/dbraw/zinc/55/02/72/539550272.db2.gz KLOQILAZIXMGIW-UHFFFAOYSA-N 1 2 369.469 2.235 40 0 FEABLO CC(=O)N1c2ccccc2[C@]2(NC(=[NH2+])N=C3Sc4ccccc4N32)C1=O ZINC000017074728 539638960 /nfs/dbraw/zinc/63/89/60/539638960.db2.gz QOFXXCGSXHCQBY-GOSISDBHSA-N 1 2 363.402 2.029 40 0 FEABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3CC)C2=O)C1 ZINC000017073964 539639380 /nfs/dbraw/zinc/63/93/80/539639380.db2.gz FQQHFOVURRVTII-NVXWUHKLSA-N 1 2 358.438 2.156 40 0 FEABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccccc3CC)C2=O)C1 ZINC000017073964 539639383 /nfs/dbraw/zinc/63/93/83/539639383.db2.gz FQQHFOVURRVTII-NVXWUHKLSA-N 1 2 358.438 2.156 40 0 FEABLO Cc1cc(N2CCN(C(=O)C(C)(C)n3cncn3)CC2)[nH+]c2ccccc12 ZINC000019118940 539651290 /nfs/dbraw/zinc/65/12/90/539651290.db2.gz LVMFMAPGGBEAMT-UHFFFAOYSA-N 1 2 364.453 2.219 40 0 FEABLO Cn1nc(-c2ccncc2)cc1C[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000019289066 539654761 /nfs/dbraw/zinc/65/47/61/539654761.db2.gz BWWALHKXUBGKIV-UHFFFAOYSA-N 1 2 361.449 2.440 40 0 FEABLO Cn1nc(-c2ccncc2)cc1C[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000019289046 539655054 /nfs/dbraw/zinc/65/50/54/539655054.db2.gz ZBBFXVVLPIGCBZ-UHFFFAOYSA-N 1 2 353.470 2.317 40 0 FEABLO NC(=O)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c(-n3cccc3)c2)CC1 ZINC000019399733 539656380 /nfs/dbraw/zinc/65/63/80/539656380.db2.gz OAFSFJBZEOCTMR-UHFFFAOYSA-N 1 2 363.421 2.001 40 0 FEABLO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000019448033 539656835 /nfs/dbraw/zinc/65/68/35/539656835.db2.gz QVDWADHAFVYSHD-INIZCTEOSA-N 1 2 372.494 2.271 40 0 FEABLO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000019448033 539656839 /nfs/dbraw/zinc/65/68/39/539656839.db2.gz QVDWADHAFVYSHD-INIZCTEOSA-N 1 2 372.494 2.271 40 0 FEABLO Cc1[nH+]c(C2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)c2sccn12 ZINC000019240815 539654019 /nfs/dbraw/zinc/65/40/19/539654019.db2.gz KDTVBNALCVKDER-UHFFFAOYSA-N 1 2 356.451 2.423 40 0 FEABLO CC(C)c1ncc(C[N@@H+]2CCN(C)C(=O)[C@H](Cc3ccccn3)C2)cn1 ZINC000019696857 539665186 /nfs/dbraw/zinc/66/51/86/539665186.db2.gz NJSJKAGURUUIMV-QGZVFWFLSA-N 1 2 353.470 2.128 40 0 FEABLO CC(C)c1ncc(C[N@H+]2CCN(C)C(=O)[C@H](Cc3ccccn3)C2)cn1 ZINC000019696857 539665188 /nfs/dbraw/zinc/66/51/88/539665188.db2.gz NJSJKAGURUUIMV-QGZVFWFLSA-N 1 2 353.470 2.128 40 0 FEABLO CC(=O)N1CCc2nnc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2CC1 ZINC000019710714 539667366 /nfs/dbraw/zinc/66/73/66/539667366.db2.gz OALOIKZUUIWMBI-KRWDZBQOSA-N 1 2 357.433 2.159 40 0 FEABLO CC(=O)N1CCc2nnc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2CC1 ZINC000019710714 539667367 /nfs/dbraw/zinc/66/73/67/539667367.db2.gz OALOIKZUUIWMBI-KRWDZBQOSA-N 1 2 357.433 2.159 40 0 FEABLO C[N@@H+]1C[C@@H](NS(C)(=O)=O)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000030879543 539893162 /nfs/dbraw/zinc/89/31/62/539893162.db2.gz SSPFDGHYSIVLSZ-HOTGVXAUSA-N 1 2 372.450 2.184 40 0 biogenic,in-vitro FEABLO C[N@H+]1C[C@@H](NS(C)(=O)=O)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000030879543 539893167 /nfs/dbraw/zinc/89/31/67/539893167.db2.gz SSPFDGHYSIVLSZ-HOTGVXAUSA-N 1 2 372.450 2.184 40 0 biogenic,in-vitro FEABLO C[NH+]1CCN(S(=O)(=O)[C@@H](c2ccccc2)C2(O)CCCCC2)CC1 ZINC000031947019 539924224 /nfs/dbraw/zinc/92/42/24/539924224.db2.gz BYBKIQDJWSSESE-KRWDZBQOSA-N 1 2 352.500 2.000 40 0 FEABLO CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3CCCN3C=O)c[nH+]2)CC1 ZINC000072216389 541796125 /nfs/dbraw/zinc/79/61/25/541796125.db2.gz JLZMNXXCEBOVFX-INIZCTEOSA-N 1 2 360.458 2.432 40 0 FEABLO Nc1n[nH]c2nc([C@@H]3CCC[N@@H+]3CC(=O)Nc3ccccc3F)ccc12 ZINC000072374508 541802706 /nfs/dbraw/zinc/80/27/06/541802706.db2.gz PJSLZBKESRJLIC-HNNXBMFYSA-N 1 2 354.389 2.455 40 0 FEABLO Nc1n[nH]c2nc([C@@H]3CCC[N@H+]3CC(=O)Nc3ccccc3F)ccc12 ZINC000072374508 541802707 /nfs/dbraw/zinc/80/27/07/541802707.db2.gz PJSLZBKESRJLIC-HNNXBMFYSA-N 1 2 354.389 2.455 40 0 FEABLO COCCNc1ncccc1-c1noc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000035424936 204262692 /nfs/dbraw/zinc/26/26/92/204262692.db2.gz YBYLDXLUABDIQL-AWEZNQCLSA-N 1 2 369.429 2.250 40 0 biogenic,in-vitro FEABLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2nnnn2C2CCCC2)CC1 ZINC000004910266 206184817 /nfs/dbraw/zinc/18/48/17/206184817.db2.gz IYYCOONXZSEDTI-UHFFFAOYSA-N 1 2 368.485 2.491 40 0 FEABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccncc3)n2)cc1 ZINC000015674702 206316199 /nfs/dbraw/zinc/31/61/99/206316199.db2.gz NYDARBBLFOSPRM-WBVHZDCISA-N 1 2 352.394 2.448 40 0 biogenic,in-vitro FEABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccncc3)n2)cc1 ZINC000015674702 206316204 /nfs/dbraw/zinc/31/62/04/206316204.db2.gz NYDARBBLFOSPRM-WBVHZDCISA-N 1 2 352.394 2.448 40 0 biogenic,in-vitro FEABLO Cc1onc(C(C)C)c1C(=O)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257217047 132295094 /nfs/dbraw/zinc/29/50/94/132295094.db2.gz CXEXHONESQEDCN-IBGZPJMESA-N 1 2 358.442 2.263 40 0 FEABLO Cn1c[nH+]c2c1[C@@H](COCC1CCOCC1)CN(C(=O)c1ccco1)C2 ZINC000096044991 542988909 /nfs/dbraw/zinc/98/89/09/542988909.db2.gz OZXSNLNUFDAUSQ-OAHLLOKOSA-N 1 2 359.426 2.196 40 0 FEABLO O=C(NCc1cccnc1)[C@@H]1CN(Cc2ccc(F)cc2)Cc2c[nH+]cn21 ZINC000247469356 549338616 /nfs/dbraw/zinc/33/86/16/549338616.db2.gz DVTCPIZMVFAXAZ-IBGZPJMESA-N 1 2 365.412 2.291 40 0 FEABLO O=C(Cc1ccccc1)N1Cc2c[nH+]cn2[C@@H](COCC2CCOCC2)C1 ZINC000247805226 549381911 /nfs/dbraw/zinc/38/19/11/549381911.db2.gz AKWNCMZPSPIENJ-HXUWFJFHSA-N 1 2 369.465 2.452 40 0 FEABLO Cn1cc(C[NH+]2CC3(C2)C[C@H](CCOCc2ccncc2)CCO3)cn1 ZINC000248153399 549411992 /nfs/dbraw/zinc/41/19/92/549411992.db2.gz UYJZDZPBYWIJPN-QGZVFWFLSA-N 1 2 356.470 2.403 40 0 FEABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccccc3Cl)C2=O)C1 ZINC000250704302 549643673 /nfs/dbraw/zinc/64/36/73/549643673.db2.gz VLHSMISNEYPXOI-WFASDCNBSA-N 1 2 364.829 2.247 40 0 FEABLO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccccc3Cl)C2=O)C1 ZINC000250704302 549643675 /nfs/dbraw/zinc/64/36/75/549643675.db2.gz VLHSMISNEYPXOI-WFASDCNBSA-N 1 2 364.829 2.247 40 0 FEABLO O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257200452 549716469 /nfs/dbraw/zinc/71/64/69/549716469.db2.gz ADJWPYCJXGTAJS-OAHLLOKOSA-N 1 2 354.414 2.165 40 0 FEABLO Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(C[NH+]3CCOCC3)cn2)no1 ZINC000257244242 549720768 /nfs/dbraw/zinc/72/07/68/549720768.db2.gz IKMFFYBIPHXHSZ-GOSISDBHSA-N 1 2 356.426 2.188 40 0 FEABLO O=C(NC[C@]1(O)CCN(c2cccc[nH+]2)C1)c1ccc2c(c1)CCCC2 ZINC000257252504 549722194 /nfs/dbraw/zinc/72/21/94/549722194.db2.gz JVADRTRJMISGMD-OAQYLSRUSA-N 1 2 351.450 2.332 40 0 FEABLO CNc1cncc([C@H]2CCCN2C(=O)Cc2c(C)[nH+]c3ccccn32)n1 ZINC000257293017 549725352 /nfs/dbraw/zinc/72/53/52/549725352.db2.gz QNUYDBXRDYDFBN-OAHLLOKOSA-N 1 2 350.426 2.381 40 0 FEABLO Cc1ncsc1C[N@@H+]1CCC[C@H](Cc2n[nH]cc2S(C)(=O)=O)C1 ZINC000257304669 549726147 /nfs/dbraw/zinc/72/61/47/549726147.db2.gz SMQNRHOLRDHZTK-GFCCVEGCSA-N 1 2 354.501 2.033 40 0 FEABLO Cc1ncsc1C[N@H+]1CCC[C@H](Cc2n[nH]cc2S(C)(=O)=O)C1 ZINC000257304669 549726150 /nfs/dbraw/zinc/72/61/50/549726150.db2.gz SMQNRHOLRDHZTK-GFCCVEGCSA-N 1 2 354.501 2.033 40 0 FEABLO Cc1ncsc1C[N@@H+]1CCC[C@@H](Cc2n[nH]cc2S(C)(=O)=O)C1 ZINC000257304670 549726398 /nfs/dbraw/zinc/72/63/98/549726398.db2.gz SMQNRHOLRDHZTK-LBPRGKRZSA-N 1 2 354.501 2.033 40 0 FEABLO Cc1ncsc1C[N@H+]1CCC[C@@H](Cc2n[nH]cc2S(C)(=O)=O)C1 ZINC000257304670 549726404 /nfs/dbraw/zinc/72/64/04/549726404.db2.gz SMQNRHOLRDHZTK-LBPRGKRZSA-N 1 2 354.501 2.033 40 0 FEABLO CN(C)c1cc([C@@H]2CCCN2C(=O)Cn2nc3ccccc3n2)cc[nH+]1 ZINC000257312867 549726676 /nfs/dbraw/zinc/72/66/76/549726676.db2.gz UPWZGGNMOSSZKE-KRWDZBQOSA-N 1 2 350.426 2.256 40 0 FEABLO Cc1cc(CN2Cc3c[nH+]cn3[C@@H](COCc3ccccn3)C2)n(C)n1 ZINC000306141335 553750458 /nfs/dbraw/zinc/75/04/58/553750458.db2.gz VSFNKHFNSHDBTL-LJQANCHMSA-N 1 2 352.442 2.094 40 0 FEABLO NC(=O)C[C@@]1(COc2cccc(Cl)c2)C[N@H+](Cc2ccc[nH]2)CCO1 ZINC000585274027 570487346 /nfs/dbraw/zinc/48/73/46/570487346.db2.gz YOTUKXXVSSPKNS-SFHVURJKSA-N 1 2 363.845 2.194 40 0 FEABLO NC(=O)C[C@@]1(COc2cccc(Cl)c2)C[N@@H+](Cc2ccc[nH]2)CCO1 ZINC000585274027 570487349 /nfs/dbraw/zinc/48/73/49/570487349.db2.gz YOTUKXXVSSPKNS-SFHVURJKSA-N 1 2 363.845 2.194 40 0 FEABLO C[C@H](CO)Nc1nc(Nc2ccc(N3CCOCC3)cc2)cc(C2CC2)[nH+]1 ZINC000329010068 571128587 /nfs/dbraw/zinc/12/85/87/571128587.db2.gz LYQAUHJSVTVRST-CQSZACIVSA-N 1 2 369.469 2.727 40 0 FEABLO Cc1nc(C(=O)N2Cc3c[nH+]cn3CC[C@H]2COc2ccccc2)c[nH]1 ZINC000585097287 571220456 /nfs/dbraw/zinc/22/04/56/571220456.db2.gz JTHNIESUOWNXJU-HNNXBMFYSA-N 1 2 351.410 2.408 40 0 FEABLO Cc1ccc(C[NH+]2CC3(C2)CC[C@@H](CNS(=O)(=O)C2CC2)CO3)s1 ZINC000585103283 571223505 /nfs/dbraw/zinc/22/35/05/571223505.db2.gz APBPMUKTEPMLKF-AWEZNQCLSA-N 1 2 370.540 2.119 40 0 FEABLO CSc1nnc([C@H]2CCC[N@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C2)n1C ZINC000005001445 539399649 /nfs/dbraw/zinc/39/96/49/539399649.db2.gz KWVPCEYTUUHIGH-QLFBSQMISA-N 1 2 365.547 2.411 40 0 FEABLO CSc1nnc([C@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C2)n1C ZINC000005001445 539399651 /nfs/dbraw/zinc/39/96/51/539399651.db2.gz KWVPCEYTUUHIGH-QLFBSQMISA-N 1 2 365.547 2.411 40 0 FEABLO CCCNC(=O)C[N@@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000012184547 539548230 /nfs/dbraw/zinc/54/82/30/539548230.db2.gz RNWCMUXPEFYFQV-ZDUSSCGKSA-N 1 2 351.834 2.411 40 0 FEABLO CCCNC(=O)C[N@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000012184547 539548234 /nfs/dbraw/zinc/54/82/34/539548234.db2.gz RNWCMUXPEFYFQV-ZDUSSCGKSA-N 1 2 351.834 2.411 40 0 FEABLO O=C(CCn1cc[nH+]c1)N1CCC(c2noc(-c3ccncc3)n2)CC1 ZINC000012221953 539550308 /nfs/dbraw/zinc/55/03/08/539550308.db2.gz UPEIFOPCRXBVBH-UHFFFAOYSA-N 1 2 352.398 2.124 40 0 FEABLO Cc1cc(-c2cnc(NCC[NH+]3CCOCC3)nc2[C@@H]2CCCO2)on1 ZINC000019122675 539651639 /nfs/dbraw/zinc/65/16/39/539651639.db2.gz DFHYXHWDADQVRE-HNNXBMFYSA-N 1 2 359.430 2.036 40 0 FEABLO CCn1cc(C[NH+]2CCN(C(=O)Cc3ccc4c(c3)C[C@@H](C)O4)CC2)cn1 ZINC000019524963 539659563 /nfs/dbraw/zinc/65/95/63/539659563.db2.gz UYHGKRNVRVQKPH-MRXNPFEDSA-N 1 2 368.481 2.113 40 0 FEABLO CCc1ncc(C[N@H+]2CCc3nc4sc(C)cc4c(=O)n3CC2)cn1 ZINC000019523454 539659653 /nfs/dbraw/zinc/65/96/53/539659653.db2.gz WXWWDTHOKFERNJ-UHFFFAOYSA-N 1 2 355.467 2.177 40 0 FEABLO CCc1ncc(C[N@@H+]2CCc3nc4sc(C)cc4c(=O)n3CC2)cn1 ZINC000019523454 539659657 /nfs/dbraw/zinc/65/96/57/539659657.db2.gz WXWWDTHOKFERNJ-UHFFFAOYSA-N 1 2 355.467 2.177 40 0 FEABLO COc1c(C)cccc1C(=O)N1CCc2nnc([C@@H]3CCC[N@@H+]3C)n2CC1 ZINC000019706300 539666437 /nfs/dbraw/zinc/66/64/37/539666437.db2.gz OIVZKIBVDIPDJG-INIZCTEOSA-N 1 2 369.469 2.060 40 0 FEABLO COc1c(C)cccc1C(=O)N1CCc2nnc([C@@H]3CCC[N@H+]3C)n2CC1 ZINC000019706300 539666440 /nfs/dbraw/zinc/66/64/40/539666440.db2.gz OIVZKIBVDIPDJG-INIZCTEOSA-N 1 2 369.469 2.060 40 0 FEABLO NC(=O)C1CC[NH+]([C@H](c2nnnn2C2CCCC2)c2ccccc2)CC1 ZINC000057669640 205244907 /nfs/dbraw/zinc/24/49/07/205244907.db2.gz RNIASRUMZWVDCT-KRWDZBQOSA-N 1 2 354.458 2.075 40 0 FEABLO CCOc1nc(NCC[NH+]2CCOCC2)nc(Nc2ccc(C)cc2)n1 ZINC000019520235 206326179 /nfs/dbraw/zinc/32/61/79/206326179.db2.gz HLHCSZCIZIVIAP-UHFFFAOYSA-N 1 2 358.446 2.066 40 0 FEABLO COc1cc(C)c(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1C(C)C ZINC000193441281 206328869 /nfs/dbraw/zinc/32/88/69/206328869.db2.gz QPWUJUNPXYHFRC-UHFFFAOYSA-N 1 2 370.515 2.128 40 0 FEABLO Cc1cc(C)cc(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000044241776 136121601 /nfs/dbraw/zinc/12/16/01/136121601.db2.gz FZOYFDOWFWVPOL-UHFFFAOYSA-N 1 2 370.526 2.202 40 0 FEABLO CCN1C(=O)C[C@@H](c2ccncc2)C12CC[NH+](Cc1nccn1C)CC2 ZINC000096199996 542994927 /nfs/dbraw/zinc/99/49/27/542994927.db2.gz CYLYJVLAFQVQBO-KRWDZBQOSA-N 1 2 353.470 2.186 40 0 FEABLO C[C@@H]1c2ncc(COCC3CCOCC3)n2CC[N@H+]1Cc1cnn(C)c1 ZINC000096206022 542995169 /nfs/dbraw/zinc/99/51/69/542995169.db2.gz OOOZFJJDJTZOAL-OAHLLOKOSA-N 1 2 359.474 2.137 40 0 FEABLO C[C@@H]1c2ncc(COCC3CCOCC3)n2CC[N@@H+]1Cc1cnn(C)c1 ZINC000096206022 542995172 /nfs/dbraw/zinc/99/51/72/542995172.db2.gz OOOZFJJDJTZOAL-OAHLLOKOSA-N 1 2 359.474 2.137 40 0 FEABLO Cn1cnc2c1[C@H](COCC1CCOCC1)C[N@H+](Cc1cccnc1)C2 ZINC000096044982 542989471 /nfs/dbraw/zinc/98/94/71/542989471.db2.gz JGANIGFSPLLBGN-SFHVURJKSA-N 1 2 356.470 2.358 40 0 FEABLO Cn1cnc2c1[C@H](COCC1CCOCC1)C[N@@H+](Cc1cccnc1)C2 ZINC000096044982 542989473 /nfs/dbraw/zinc/98/94/73/542989473.db2.gz JGANIGFSPLLBGN-SFHVURJKSA-N 1 2 356.470 2.358 40 0 FEABLO CN(C)C(=O)COCC[C@@H]1CCOC2(C[NH+](Cc3ccccc3F)C2)C1 ZINC000247967082 549394997 /nfs/dbraw/zinc/39/49/97/549394997.db2.gz GQEJWTOMLJINRW-MRXNPFEDSA-N 1 2 364.461 2.302 40 0 FEABLO Cc1ncoc1C(=O)N1Cc2c[nH+]cn2[C@H](COCc2cccc(C)n2)C1 ZINC000248073479 549406195 /nfs/dbraw/zinc/40/61/95/549406195.db2.gz ZDGMYZBHUFVENH-KRWDZBQOSA-N 1 2 367.409 2.297 40 0 FEABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@@H]2CCNC(=O)c1cccn1C ZINC000248131716 549409242 /nfs/dbraw/zinc/40/92/42/549409242.db2.gz NLQHHJNGBBVBKR-HNNXBMFYSA-N 1 2 374.510 2.201 40 0 FEABLO CC(=O)N1CC[N@H+](Cc2cnc[nH]2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257204638 549718104 /nfs/dbraw/zinc/71/81/04/549718104.db2.gz AVQFFYQRQJCLLX-QGZVFWFLSA-N 1 2 363.465 2.481 40 0 FEABLO CC(=O)N1CC[N@@H+](Cc2cnc[nH]2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257204638 549718108 /nfs/dbraw/zinc/71/81/08/549718108.db2.gz AVQFFYQRQJCLLX-QGZVFWFLSA-N 1 2 363.465 2.481 40 0 FEABLO Cc1[nH+]c2ccccn2c1CC(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000257294416 549725500 /nfs/dbraw/zinc/72/55/00/549725500.db2.gz QUAOUHHITOMJRW-OAHLLOKOSA-N 1 2 351.406 2.484 40 0 FEABLO c1cc2n(n1)[C@@H](COc1ncccn1)C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000306127979 553748764 /nfs/dbraw/zinc/74/87/64/553748764.db2.gz GMTLPYBXTHGLRR-MRXNPFEDSA-N 1 2 365.393 2.038 40 0 FEABLO c1cc2n(n1)[C@@H](COc1ncccn1)C[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000306127979 553748767 /nfs/dbraw/zinc/74/87/67/553748767.db2.gz GMTLPYBXTHGLRR-MRXNPFEDSA-N 1 2 365.393 2.038 40 0 FEABLO Cn1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306136760 553750695 /nfs/dbraw/zinc/75/06/95/553750695.db2.gz QCQUZRFUENXIRT-LPHOPBHVSA-N 1 2 369.446 2.435 40 0 FEABLO Cn1cc(C[N@H+]2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306136760 553750697 /nfs/dbraw/zinc/75/06/97/553750697.db2.gz QCQUZRFUENXIRT-LPHOPBHVSA-N 1 2 369.446 2.435 40 0 FEABLO OCCCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000328989158 553859571 /nfs/dbraw/zinc/85/95/71/553859571.db2.gz IJFANUOMFROQPJ-UHFFFAOYSA-N 1 2 371.391 2.067 40 0 FEABLO CC(C)[C@H](CO)Nc1nc(NCc2ccccn2)cc(-c2ccncc2)[nH+]1 ZINC000329028545 553867164 /nfs/dbraw/zinc/86/71/64/553867164.db2.gz PVOSBQCXUIVMNS-SFHVURJKSA-N 1 2 364.453 2.975 40 0 FEABLO C[C@@H](CO)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329044268 553870797 /nfs/dbraw/zinc/87/07/97/553870797.db2.gz SVZJTFZSADMQPG-LBPRGKRZSA-N 1 2 371.391 2.065 40 0 FEABLO Cc1cccc(O[C@@H]2CCC[C@H](CNC(=O)CCn3cc[nH+]c3)[C@H]2O)c1 ZINC000585285529 570493995 /nfs/dbraw/zinc/49/39/95/570493995.db2.gz FDQGCJXXWNQOTI-YVWKXTFCSA-N 1 2 357.454 2.306 40 0 FEABLO Cc1ccc(O[C@@H]2CCC[C@H](CNC(=O)CCn3cc[nH+]c3)[C@H]2O)cc1 ZINC000585286543 570494667 /nfs/dbraw/zinc/49/46/67/570494667.db2.gz ZWMMFMTYIHWOII-YVWKXTFCSA-N 1 2 357.454 2.306 40 0 FEABLO CCc1[nH]c(C[N@@H+]2CC[C@@H](Oc3cccnc3)[C@H](CC(=O)[O-])C2)c(C)[nH+]1 ZINC000585286882 570494733 /nfs/dbraw/zinc/49/47/33/570494733.db2.gz WDGVIXFSTGWSNN-RHSMWYFYSA-N 1 2 358.442 2.420 40 0 FEABLO CCc1[nH]c(C[N@H+]2CC[C@@H](Oc3cccnc3)[C@H](CC(=O)[O-])C2)c(C)[nH+]1 ZINC000585286882 570494735 /nfs/dbraw/zinc/49/47/35/570494735.db2.gz WDGVIXFSTGWSNN-RHSMWYFYSA-N 1 2 358.442 2.420 40 0 FEABLO CO[C@H](C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000409027981 570714292 /nfs/dbraw/zinc/71/42/92/570714292.db2.gz WNTMBCLHUSGFMR-FQEVSTJZSA-N 1 2 368.433 2.447 40 0 FEABLO CO[C@@H]1CCN(C(=O)c2nc3c(o2)CC[N@H+](Cc2ccccc2C)C3)C1 ZINC000585112593 571226226 /nfs/dbraw/zinc/22/62/26/571226226.db2.gz RQFVKXRKIBCMSV-MRXNPFEDSA-N 1 2 355.438 2.402 40 0 FEABLO CO[C@@H]1CCN(C(=O)c2nc3c(o2)CC[N@@H+](Cc2ccccc2C)C3)C1 ZINC000585112593 571226227 /nfs/dbraw/zinc/22/62/27/571226227.db2.gz RQFVKXRKIBCMSV-MRXNPFEDSA-N 1 2 355.438 2.402 40 0 FEABLO Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000012113140 539543643 /nfs/dbraw/zinc/54/36/43/539543643.db2.gz NNSRAOYLZYTZQI-UHFFFAOYSA-N 1 2 360.433 2.098 40 0 FEABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1nc3ccccc3[nH]1)C2 ZINC000012120755 539544512 /nfs/dbraw/zinc/54/45/12/539544512.db2.gz OJWHEKLTLZUFBG-UHFFFAOYSA-N 1 2 358.405 2.267 40 0 FEABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1nc3ccccc3[nH]1)C2 ZINC000012120755 539544514 /nfs/dbraw/zinc/54/45/14/539544514.db2.gz OJWHEKLTLZUFBG-UHFFFAOYSA-N 1 2 358.405 2.267 40 0 FEABLO CCn1c(C[N@@H+]2CC[C@@H](c3cc(C(=O)N(C)C)n[nH]3)C2)nc2ccccc21 ZINC000019707681 539666472 /nfs/dbraw/zinc/66/64/72/539666472.db2.gz LMSCXIVEKSEIOD-CQSZACIVSA-N 1 2 366.469 2.471 40 0 FEABLO CCn1c(C[N@H+]2CC[C@@H](c3cc(C(=O)N(C)C)n[nH]3)C2)nc2ccccc21 ZINC000019707681 539666476 /nfs/dbraw/zinc/66/64/76/539666476.db2.gz LMSCXIVEKSEIOD-CQSZACIVSA-N 1 2 366.469 2.471 40 0 FEABLO COc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2nnc3n2CC[NH2+]C3)cc1 ZINC000019705516 539666064 /nfs/dbraw/zinc/66/60/64/539666064.db2.gz GPRZMJMDDGQWEL-MRXNPFEDSA-N 1 2 369.469 2.031 40 0 FEABLO CCN(CC)c1ncc(C[N@@H+]2CCO[C@H](C(=O)NC3CCCC3)C2)s1 ZINC000019750381 539669104 /nfs/dbraw/zinc/66/91/04/539669104.db2.gz XZVRNBDLBHEVBY-INIZCTEOSA-N 1 2 366.531 2.249 40 0 FEABLO CCN(CC)c1ncc(C[N@H+]2CCO[C@H](C(=O)NC3CCCC3)C2)s1 ZINC000019750381 539669108 /nfs/dbraw/zinc/66/91/08/539669108.db2.gz XZVRNBDLBHEVBY-INIZCTEOSA-N 1 2 366.531 2.249 40 0 FEABLO CCn1cc(C(=O)N2CC[NH+](C)CC2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236898 539692852 /nfs/dbraw/zinc/69/28/52/539692852.db2.gz OYAJBDDGHPOGGS-UHFFFAOYSA-N 1 2 367.371 2.428 40 0 FEABLO O=S(=O)(NCc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000022511957 539695981 /nfs/dbraw/zinc/69/59/81/539695981.db2.gz HGDGXGPHESWGGY-UHFFFAOYSA-N 1 2 371.418 2.122 40 0 FEABLO CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)NCCCn2cc[nH+]c2)nn1 ZINC000072341635 541800190 /nfs/dbraw/zinc/80/01/90/541800190.db2.gz ZAJCHZFDVVXDFK-KRWDZBQOSA-N 1 2 356.405 2.433 40 0 FEABLO COc1cc(C)ccc1C[N@@H+]1CCC[C@H]1c1nnc2n1CCN(C(C)=O)C2 ZINC000072373877 541802128 /nfs/dbraw/zinc/80/21/28/541802128.db2.gz XMCWFOTVPZHVBU-KRWDZBQOSA-N 1 2 369.469 2.294 40 0 FEABLO COc1cc(C)ccc1C[N@H+]1CCC[C@H]1c1nnc2n1CCN(C(C)=O)C2 ZINC000072373877 541802133 /nfs/dbraw/zinc/80/21/33/541802133.db2.gz XMCWFOTVPZHVBU-KRWDZBQOSA-N 1 2 369.469 2.294 40 0 FEABLO COc1ccc(C[N@@H+]2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@H]3C2)cn1 ZINC000085436188 205171066 /nfs/dbraw/zinc/17/10/66/205171066.db2.gz AHKZXOMODWKDDT-GOSISDBHSA-N 1 2 370.428 2.351 40 0 biogenic,in-vitro FEABLO COc1ccc(C[N@H+]2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@H]3C2)cn1 ZINC000085436188 205171069 /nfs/dbraw/zinc/17/10/69/205171069.db2.gz AHKZXOMODWKDDT-GOSISDBHSA-N 1 2 370.428 2.351 40 0 biogenic,in-vitro FEABLO C[N@@H+]1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(-c2cncnc2)no1 ZINC000012530122 206292644 /nfs/dbraw/zinc/29/26/44/206292644.db2.gz DDFQXCMPOFMXBY-GJZGRUSLSA-N 1 2 365.397 2.094 40 0 biogenic,in-vitro FEABLO C[N@H+]1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(-c2cncnc2)no1 ZINC000012530122 206292647 /nfs/dbraw/zinc/29/26/47/206292647.db2.gz DDFQXCMPOFMXBY-GJZGRUSLSA-N 1 2 365.397 2.094 40 0 biogenic,in-vitro FEABLO O=C(NC[C@]1(O)CCCN(c2cccc[nH+]2)C1)C1CCC(F)(F)CC1 ZINC000257238261 132295472 /nfs/dbraw/zinc/29/54/72/132295472.db2.gz HKEGKWBBWMBVNE-QGZVFWFLSA-N 1 2 353.413 2.355 40 0 FEABLO Cc1ccc(C(=O)N2CCC3(CC2)C[N@H+](Cc2cccnc2)CCO3)o1 ZINC000096048941 542989113 /nfs/dbraw/zinc/98/91/13/542989113.db2.gz ALXKFNOJQWIBOG-UHFFFAOYSA-N 1 2 355.438 2.490 40 0 FEABLO Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](Cc2cccnc2)CCO3)o1 ZINC000096048941 542989116 /nfs/dbraw/zinc/98/91/16/542989116.db2.gz ALXKFNOJQWIBOG-UHFFFAOYSA-N 1 2 355.438 2.490 40 0 FEABLO O=C(Cc1cccc(F)c1)N1C[C@@H]2COC[C@]2(CNc2cccc[nH+]2)C1 ZINC000096218383 542995925 /nfs/dbraw/zinc/99/59/25/542995925.db2.gz PYPJHKSILDCLBG-UZLBHIALSA-N 1 2 355.413 2.350 40 0 FEABLO Cc1nc(C[N@H+]2CCC[C@]3(CN(C(=O)NC(C)C)CCO3)C2)cs1 ZINC000096226706 542996157 /nfs/dbraw/zinc/99/61/57/542996157.db2.gz TZSCEFGDUNFSLO-QGZVFWFLSA-N 1 2 352.504 2.236 40 0 FEABLO Cc1nc(C[N@@H+]2CCC[C@]3(CN(C(=O)NC(C)C)CCO3)C2)cs1 ZINC000096226706 542996160 /nfs/dbraw/zinc/99/61/60/542996160.db2.gz TZSCEFGDUNFSLO-QGZVFWFLSA-N 1 2 352.504 2.236 40 0 FEABLO Cc1nc(C[N@H+]2CCOC[C@]3(CCCN(C(=O)N(C)C)C3)C2)cs1 ZINC000096229292 542996766 /nfs/dbraw/zinc/99/67/66/542996766.db2.gz LTBPVUJAJIIZAV-QGZVFWFLSA-N 1 2 352.504 2.048 40 0 FEABLO Cc1nc(C[N@@H+]2CCOC[C@]3(CCCN(C(=O)N(C)C)C3)C2)cs1 ZINC000096229292 542996768 /nfs/dbraw/zinc/99/67/68/542996768.db2.gz LTBPVUJAJIIZAV-QGZVFWFLSA-N 1 2 352.504 2.048 40 0 FEABLO COc1cccc(C[NH+]2CC3(C2)C[C@@H](OCC(=O)N2CCCC2)CCO3)c1 ZINC000247867476 549387718 /nfs/dbraw/zinc/38/77/18/549387718.db2.gz BPNHTEJOTJQIHI-IBGZPJMESA-N 1 2 374.481 2.068 40 0 FEABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)n(C)n1 ZINC000248055763 549403876 /nfs/dbraw/zinc/40/38/76/549403876.db2.gz SMFKOQNLYCFGTE-KRWDZBQOSA-N 1 2 351.516 2.232 40 0 FEABLO c1cncc(OC[C@H]2CCOC23C[NH+](Cc2ccc4c(c2)OCO4)C3)c1 ZINC000248343115 549420705 /nfs/dbraw/zinc/42/07/05/549420705.db2.gz ZPBXSDVQDXXUPN-MRXNPFEDSA-N 1 2 354.406 2.480 40 0 FEABLO CC(C)NC(=O)N1CC[N@@H+]2[C@@H](C1)CN(C(=O)c1ccccc1)CC2(C)C ZINC000253403570 549686902 /nfs/dbraw/zinc/68/69/02/549686902.db2.gz QCMADAPVUMXWPG-KRWDZBQOSA-N 1 2 358.486 2.025 40 0 biogenic,in-vitro FEABLO CC(C)NC(=O)N1CC[N@H+]2[C@@H](C1)CN(C(=O)c1ccccc1)CC2(C)C ZINC000253403570 549686904 /nfs/dbraw/zinc/68/69/04/549686904.db2.gz QCMADAPVUMXWPG-KRWDZBQOSA-N 1 2 358.486 2.025 40 0 biogenic,in-vitro FEABLO C[C@H]1c2nc(C(=O)NCc3ccco3)cn2CC[N@H+]1CC1CCOCC1 ZINC000253590315 549696460 /nfs/dbraw/zinc/69/64/60/549696460.db2.gz AFQRKOHGZPJDLF-AWEZNQCLSA-N 1 2 358.442 2.209 40 0 FEABLO C[C@H]1c2nc(C(=O)NCc3ccco3)cn2CC[N@@H+]1CC1CCOCC1 ZINC000253590315 549696461 /nfs/dbraw/zinc/69/64/61/549696461.db2.gz AFQRKOHGZPJDLF-AWEZNQCLSA-N 1 2 358.442 2.209 40 0 FEABLO Cn1ccnc1C[NH+]1CCC(c2nccnc2Nc2cnccn2)CC1 ZINC000257224063 549719152 /nfs/dbraw/zinc/71/91/52/549719152.db2.gz FAECINCTLLYHPF-UHFFFAOYSA-N 1 2 350.430 2.123 40 0 FEABLO Cc1noc(C)c1-c1nccnc1C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000257232790 549720126 /nfs/dbraw/zinc/72/01/26/549720126.db2.gz GMLBTZFEHFMDET-OAHLLOKOSA-N 1 2 366.425 2.036 40 0 FEABLO Cc1cc(=O)[nH]c([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257240196 549720869 /nfs/dbraw/zinc/72/08/69/549720869.db2.gz HSMWQVIBCMCXJZ-MRXNPFEDSA-N 1 2 351.410 2.454 40 0 FEABLO Cc1cc(=O)[nH]c([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257240196 549720872 /nfs/dbraw/zinc/72/08/72/549720872.db2.gz HSMWQVIBCMCXJZ-MRXNPFEDSA-N 1 2 351.410 2.454 40 0 FEABLO Cc1cc(N)cc([C@H]2C[N@H+](Cc3ccccc3OCC(=O)[O-])CCO2)[nH+]1 ZINC000257245082 549720902 /nfs/dbraw/zinc/72/09/02/549720902.db2.gz IOAQWNMOWDXZCY-GOSISDBHSA-N 1 2 357.410 2.009 40 0 FEABLO Cc1cc(N)cc([C@H]2C[N@@H+](Cc3ccccc3OCC(=O)[O-])CCO2)[nH+]1 ZINC000257245082 549720904 /nfs/dbraw/zinc/72/09/04/549720904.db2.gz IOAQWNMOWDXZCY-GOSISDBHSA-N 1 2 357.410 2.009 40 0 FEABLO Cc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC000257266220 549722973 /nfs/dbraw/zinc/72/29/73/549722973.db2.gz MCANSXDPNMTSSM-INIZCTEOSA-N 1 2 352.398 2.309 40 0 FEABLO CN(C)c1cc([C@H]2CCCN(C(=O)c3ccc4n[nH]nc4c3)C2)cc[nH+]1 ZINC000257269458 549723281 /nfs/dbraw/zinc/72/32/81/549723281.db2.gz MPZYDNMFFKBHJN-HNNXBMFYSA-N 1 2 350.426 2.439 40 0 FEABLO Cc1noc(C)c1C[N@H+]1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 ZINC000306130408 553749088 /nfs/dbraw/zinc/74/90/88/553749088.db2.gz JFGZKJZZCVUABW-HNNXBMFYSA-N 1 2 353.430 2.022 40 0 FEABLO Cc1noc(C)c1C[N@@H+]1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 ZINC000306130408 553749089 /nfs/dbraw/zinc/74/90/89/553749089.db2.gz JFGZKJZZCVUABW-HNNXBMFYSA-N 1 2 353.430 2.022 40 0 FEABLO CC(C)N1[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2Oc2ncccc2S1(=O)=O ZINC000306134919 553749792 /nfs/dbraw/zinc/74/97/92/553749792.db2.gz OBPMUUIFUQFPIK-SJORKVTESA-N 1 2 373.478 2.126 40 0 FEABLO CC(C)N1[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2Oc2ncccc2S1(=O)=O ZINC000306134919 553749794 /nfs/dbraw/zinc/74/97/94/553749794.db2.gz OBPMUUIFUQFPIK-SJORKVTESA-N 1 2 373.478 2.126 40 0 FEABLO COc1ccc(C(=O)N2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)cc1 ZINC000306137321 553750546 /nfs/dbraw/zinc/75/05/46/553750546.db2.gz QSVGUCJYRQYFTF-CGTJXYLNSA-N 1 2 353.422 2.289 40 0 FEABLO O=C(COCC[C@@H]1C[N@H+](Cc2ccco2)Cc2ccnn21)N1CCCC1 ZINC000306135748 553750607 /nfs/dbraw/zinc/75/06/07/553750607.db2.gz OZQIZIMCPNPBEO-QGZVFWFLSA-N 1 2 358.442 2.062 40 0 FEABLO O=C(COCC[C@@H]1C[N@@H+](Cc2ccco2)Cc2ccnn21)N1CCCC1 ZINC000306135748 553750610 /nfs/dbraw/zinc/75/06/10/553750610.db2.gz OZQIZIMCPNPBEO-QGZVFWFLSA-N 1 2 358.442 2.062 40 0 FEABLO OCCCNc1nc(NCc2cccc(Cl)c2)cc(-c2ccncc2)[nH+]1 ZINC000329008517 553863302 /nfs/dbraw/zinc/86/33/02/553863302.db2.gz LRVPWYWJQMOIAQ-UHFFFAOYSA-N 1 2 369.856 2.442 40 0 FEABLO CCNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(N[C@H](C)CO)n1 ZINC000329010853 553863785 /nfs/dbraw/zinc/86/37/85/553863785.db2.gz MCOQBNZIICBASG-SNVBAGLBSA-N 1 2 356.348 2.111 40 0 FEABLO C[C@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2cccnc2)[nH+]1 ZINC000329035872 553868512 /nfs/dbraw/zinc/86/85/12/553868512.db2.gz RFZXQTILRNIXTN-CYBMUJFWSA-N 1 2 369.856 2.441 40 0 FEABLO CO[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@]12C[C@@H](c1ccccc1)CO2 ZINC000585288385 570496673 /nfs/dbraw/zinc/49/66/73/570496673.db2.gz YQGGZRADNDQSGX-MDRBYLPWSA-N 1 2 353.422 2.223 40 0 FEABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@H]1c1cc(N)nc(C)n1 ZINC000257223549 209967358 /nfs/dbraw/zinc/96/73/58/209967358.db2.gz DXWYOKABGWAUNV-HNNXBMFYSA-N 1 2 350.426 2.230 40 0 FEABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccc(CO)o3)n2)cc1 ZINC000015674688 539621886 /nfs/dbraw/zinc/62/18/86/539621886.db2.gz JKXSTAFBFWELQO-DYVFJYSZSA-N 1 2 371.393 2.138 40 0 biogenic,in-vitro FEABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccc(CO)o3)n2)cc1 ZINC000015674688 539621890 /nfs/dbraw/zinc/62/18/90/539621890.db2.gz JKXSTAFBFWELQO-DYVFJYSZSA-N 1 2 371.393 2.138 40 0 biogenic,in-vitro FEABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@H+](Cc1ccoc1)CC3 ZINC000019550865 539660102 /nfs/dbraw/zinc/66/01/02/539660102.db2.gz FZFIVVGYMCGCFR-UHFFFAOYSA-N 1 2 355.394 2.065 40 0 FEABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@@H+](Cc1ccoc1)CC3 ZINC000019550865 539660108 /nfs/dbraw/zinc/66/01/08/539660108.db2.gz FZFIVVGYMCGCFR-UHFFFAOYSA-N 1 2 355.394 2.065 40 0 FEABLO Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)[nH]1 ZINC000223163501 209750514 /nfs/dbraw/zinc/75/05/14/209750514.db2.gz HYLRDCCUTCLVBQ-MSOLQXFVSA-N 1 2 371.510 2.023 40 0 FEABLO Cn1ccnc1C[N@@H+]1CCOC[C@@]2(C[C@@H](CNc3cccc(F)c3)CO2)C1 ZINC000107243517 209275152 /nfs/dbraw/zinc/27/51/52/209275152.db2.gz PFRRPCMROYPUSO-OXJNMPFZSA-N 1 2 374.460 2.279 40 0 FEABLO Cn1ccnc1C[N@H+]1CCOC[C@@]2(C[C@@H](CNc3cccc(F)c3)CO2)C1 ZINC000107243517 209275155 /nfs/dbraw/zinc/27/51/55/209275155.db2.gz PFRRPCMROYPUSO-OXJNMPFZSA-N 1 2 374.460 2.279 40 0 FEABLO Cn1cc[nH+]c1CN1CCOC[C@@]2(C[C@@H](CNc3cccc(F)c3)CO2)C1 ZINC000107243517 209275156 /nfs/dbraw/zinc/27/51/56/209275156.db2.gz PFRRPCMROYPUSO-OXJNMPFZSA-N 1 2 374.460 2.279 40 0 FEABLO CN(C)C(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2C ZINC000096263359 209147414 /nfs/dbraw/zinc/14/74/14/209147414.db2.gz DEOBXAALFFHQDE-UHFFFAOYSA-N 1 2 353.470 2.468 40 0 FEABLO CN(C)C(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2C ZINC000096263359 209147416 /nfs/dbraw/zinc/14/74/16/209147416.db2.gz DEOBXAALFFHQDE-UHFFFAOYSA-N 1 2 353.470 2.468 40 0 FEABLO c1coc(CNc2ccnc([C@H]3COCC[N@@H+]3CC3CCOCC3)n2)c1 ZINC000096220020 209137344 /nfs/dbraw/zinc/13/73/44/209137344.db2.gz KVHTZNOZYPSMQC-QGZVFWFLSA-N 1 2 358.442 2.482 40 0 FEABLO c1coc(CNc2ccnc([C@H]3COCC[N@H+]3CC3CCOCC3)n2)c1 ZINC000096220020 209137348 /nfs/dbraw/zinc/13/73/48/209137348.db2.gz KVHTZNOZYPSMQC-QGZVFWFLSA-N 1 2 358.442 2.482 40 0 FEABLO C[C@@H]1c2ncc(COCc3ccccn3)n2CC[N@H+]1Cc1cnn(C)c1 ZINC000096109894 209114902 /nfs/dbraw/zinc/11/49/02/209114902.db2.gz CDBSXOSJJBRSBP-OAHLLOKOSA-N 1 2 352.442 2.305 40 0 FEABLO C[C@@H]1c2ncc(COCc3ccccn3)n2CC[N@@H+]1Cc1cnn(C)c1 ZINC000096109894 209114906 /nfs/dbraw/zinc/11/49/06/209114906.db2.gz CDBSXOSJJBRSBP-OAHLLOKOSA-N 1 2 352.442 2.305 40 0 FEABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000004884930 207058666 /nfs/dbraw/zinc/05/86/66/207058666.db2.gz JMAYTTKKIKIUGQ-NUXNZHGMSA-N 1 2 364.467 2.116 40 0 FEABLO CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000030848257 208006704 /nfs/dbraw/zinc/00/67/04/208006704.db2.gz OXYIWGWYRVARDY-UHFFFAOYSA-N 1 2 370.434 2.174 40 0 FEABLO CC(C)c1ccc(-c2noc(CCC(=O)NCC[NH+]3CCOCC3)n2)cc1 ZINC000036686284 208168614 /nfs/dbraw/zinc/16/86/14/208168614.db2.gz WSKFNTFZVUIGCF-UHFFFAOYSA-N 1 2 372.469 2.241 40 0 FEABLO O=C(c1ccccn1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000096061701 209104882 /nfs/dbraw/zinc/10/48/82/209104882.db2.gz IPYVLLXIRLUCPQ-UXHICEINSA-N 1 2 351.450 2.240 40 0 FEABLO Cc1nc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@@H]3C2)cs1 ZINC000096043065 209097579 /nfs/dbraw/zinc/09/75/79/209097579.db2.gz BVVCKDMAJRPAFL-RRQGHBQHSA-N 1 2 358.467 2.465 40 0 FEABLO Cc1nc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@@H]3C2)cs1 ZINC000096043065 209097582 /nfs/dbraw/zinc/09/75/82/209097582.db2.gz BVVCKDMAJRPAFL-RRQGHBQHSA-N 1 2 358.467 2.465 40 0 FEABLO Cn1cc(C[NH+]2CCN(c3nccn4c(-c5ccccc5)cnc34)CC2)cn1 ZINC000306129227 132301399 /nfs/dbraw/zinc/30/13/99/132301399.db2.gz HXYFJPYLEGIWCY-UHFFFAOYSA-N 1 2 373.464 2.452 40 0 FEABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000245229992 521306266 /nfs/dbraw/zinc/30/62/66/521306266.db2.gz JMAYTTKKIKIUGQ-NPSOMJIGSA-N 1 2 364.467 2.116 40 0 FEABLO CC(C)[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670385 535170231 /nfs/dbraw/zinc/17/02/31/535170231.db2.gz AEGZEFHWBRJXEF-RTBURBONSA-N 1 2 370.501 2.371 40 0 FEABLO CN(C)C(=O)COCC[C@@H]1CCOC12C[NH+](Cc1ccccc1Cl)C2 ZINC000247948098 549394404 /nfs/dbraw/zinc/39/44/04/549394404.db2.gz BIJRWJBWGQWFHU-MRXNPFEDSA-N 1 2 366.889 2.426 40 0 FEABLO CN(C)c1cc(N2CC3(C2)OCC[C@H]3CCOCc2ccncc2)nc[nH+]1 ZINC000248121989 549408181 /nfs/dbraw/zinc/40/81/81/549408181.db2.gz NIJGCWSVVANUBK-QGZVFWFLSA-N 1 2 369.469 2.140 40 0 FEABLO CN(C)c1cc(N2CC3(C2)OCC[C@H]3CCOCc2ccncc2)[nH+]cn1 ZINC000248121989 549408184 /nfs/dbraw/zinc/40/81/84/549408184.db2.gz NIJGCWSVVANUBK-QGZVFWFLSA-N 1 2 369.469 2.140 40 0 FEABLO CNC(=O)[C@@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CC[N@@H+]1C(C)C ZINC000257218401 549718983 /nfs/dbraw/zinc/71/89/83/549718983.db2.gz DCZVSJJWGRISQQ-IBGZPJMESA-N 1 2 370.497 2.158 40 0 FEABLO CNC(=O)[C@@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CC[N@H+]1C(C)C ZINC000257218401 549718988 /nfs/dbraw/zinc/71/89/88/549718988.db2.gz DCZVSJJWGRISQQ-IBGZPJMESA-N 1 2 370.497 2.158 40 0 FEABLO C[N@@H+]1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)C3CC3)CC2)C1 ZINC000306127981 553748936 /nfs/dbraw/zinc/74/89/36/553748936.db2.gz GMVKLLINHJLMDM-UHFFFAOYSA-N 1 2 357.483 2.180 40 0 FEABLO C[N@H+]1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)C3CC3)CC2)C1 ZINC000306127981 553748938 /nfs/dbraw/zinc/74/89/38/553748938.db2.gz GMVKLLINHJLMDM-UHFFFAOYSA-N 1 2 357.483 2.180 40 0 FEABLO O=C(NC1CC(F)(F)C1)[C@H]1CN(Cc2ccsc2)Cc2c[nH+]cn21 ZINC000306132545 553749659 /nfs/dbraw/zinc/74/96/59/553749659.db2.gz LLSMTICQUOTVMI-CQSZACIVSA-N 1 2 352.410 2.415 40 0 FEABLO Cc1cc(CN2Cc3c[nH+]cn3[C@H](COCc3ccccn3)C2)n(C)n1 ZINC000306141334 553750437 /nfs/dbraw/zinc/75/04/37/553750437.db2.gz VSFNKHFNSHDBTL-IBGZPJMESA-N 1 2 352.442 2.094 40 0 FEABLO C[C@@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2cccnc2)[nH+]1 ZINC000329035873 553868549 /nfs/dbraw/zinc/86/85/49/553868549.db2.gz RFZXQTILRNIXTN-ZDUSSCGKSA-N 1 2 369.856 2.441 40 0 FEABLO CS(=O)(=O)CC[C@H]([NH3+])c1nc([C@@H](C2CCCC2)n2cccc2)no1 ZINC000409442316 558691035 /nfs/dbraw/zinc/69/10/35/558691035.db2.gz UQLRYFBQHOTXSW-UONOGXRCSA-N 1 2 352.460 2.085 40 0 FEABLO Cc1cc(N2CCOCC2)nc(SC[C@H](O)COc2ccccc2)[nH+]1 ZINC000006796867 539436974 /nfs/dbraw/zinc/43/69/74/539436974.db2.gz UCETWXKJMHWMQF-OAHLLOKOSA-N 1 2 361.467 2.154 40 0 FEABLO Cc1cc(N2CCOCC2)nc(SC[C@@H](O)COc2ccccc2)[nH+]1 ZINC000006796869 539437330 /nfs/dbraw/zinc/43/73/30/539437330.db2.gz UCETWXKJMHWMQF-HNNXBMFYSA-N 1 2 361.467 2.154 40 0 FEABLO CN(C)c1cc([C@H]2CCCN2C(=O)Cn2nnc3ccccc32)cc[nH+]1 ZINC000257259927 209979966 /nfs/dbraw/zinc/97/99/66/209979966.db2.gz LARMPIKUNISHRQ-MRXNPFEDSA-N 1 2 350.426 2.256 40 0 FEABLO Cc1[nH+]c([C@H]2CCCN(C(=O)[C@H](C)Cn3cncn3)C2)c2sccn12 ZINC000019240727 539653935 /nfs/dbraw/zinc/65/39/35/539653935.db2.gz VZFYAWDPJGQWDT-OCCSQVGLSA-N 1 2 358.471 2.338 40 0 FEABLO COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)N1CC[NH+](CCO)CC1)CC2 ZINC000020504647 539675916 /nfs/dbraw/zinc/67/59/16/539675916.db2.gz UYJCXAMIYAOJLV-FUHWJXTLSA-N 1 2 374.525 2.190 40 0 biogenic,in-vitro FEABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)CC1 ZINC000020634616 539676430 /nfs/dbraw/zinc/67/64/30/539676430.db2.gz DICQBIGGYYCSMA-QGZVFWFLSA-N 1 2 358.438 2.210 40 0 FEABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000020150504 539672492 /nfs/dbraw/zinc/67/24/92/539672492.db2.gz JMAYTTKKIKIUGQ-MOROJQBDSA-N 1 2 364.467 2.116 40 0 FEABLO Cn1cccc1C(=O)NCC[C@H]1CCOC12C[NH+](Cc1cccs1)C2 ZINC000248132756 209925170 /nfs/dbraw/zinc/92/51/70/209925170.db2.gz NRYJEZBKFSQIBX-HNNXBMFYSA-N 1 2 359.495 2.498 40 0 FEABLO Cc1ncsc1C(=O)N1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355419 541801462 /nfs/dbraw/zinc/80/14/62/541801462.db2.gz FAOGZZKYMUUJNQ-CYBMUJFWSA-N 1 2 354.439 2.447 40 0 FEABLO Cc1noc(C)c1C(=O)N1CCc2[nH+]c(NC(C)C)nc(N(C)C)c2C1 ZINC000096254051 209144956 /nfs/dbraw/zinc/14/49/56/209144956.db2.gz DAWMAYQZESXJHI-UHFFFAOYSA-N 1 2 358.446 2.166 40 0 FEABLO Cc1cccc(C[N@@H+]2CCOC[C@]3(CN(c4ccsc4)C(=O)CO3)C2)n1 ZINC000096240195 209142061 /nfs/dbraw/zinc/14/20/61/209142061.db2.gz SEETXTXXNFSDPA-LJQANCHMSA-N 1 2 373.478 2.086 40 0 FEABLO Cc1cccc(C[N@H+]2CCOC[C@]3(CN(c4ccsc4)C(=O)CO3)C2)n1 ZINC000096240195 209142064 /nfs/dbraw/zinc/14/20/64/209142064.db2.gz SEETXTXXNFSDPA-LJQANCHMSA-N 1 2 373.478 2.086 40 0 FEABLO Cc1nc(C[N@H+]2CCC[C@@]3(CN(C(=O)NC(C)C)CCO3)C2)cs1 ZINC000096226707 209139874 /nfs/dbraw/zinc/13/98/74/209139874.db2.gz TZSCEFGDUNFSLO-KRWDZBQOSA-N 1 2 352.504 2.236 40 0 FEABLO Cc1nc(C[N@@H+]2CCC[C@@]3(CN(C(=O)NC(C)C)CCO3)C2)cs1 ZINC000096226707 209139879 /nfs/dbraw/zinc/13/98/79/209139879.db2.gz TZSCEFGDUNFSLO-KRWDZBQOSA-N 1 2 352.504 2.236 40 0 FEABLO Cc1noc(C)c1C[N@@H+]1CC[C@]2(CC(C(=O)Nc3cccnc3C)=NO2)C1 ZINC000096226115 209139650 /nfs/dbraw/zinc/13/96/50/209139650.db2.gz TZYULIHTIPCJBG-IBGZPJMESA-N 1 2 369.425 2.354 40 0 FEABLO Cc1noc(C)c1C[N@H+]1CC[C@]2(CC(C(=O)Nc3cccnc3C)=NO2)C1 ZINC000096226115 209139653 /nfs/dbraw/zinc/13/96/53/209139653.db2.gz TZYULIHTIPCJBG-IBGZPJMESA-N 1 2 369.425 2.354 40 0 FEABLO O=C(Cc1ccco1)N1Cc2c[nH+]cn2C[C@@H](COc2ccccn2)C1 ZINC000096207133 209134436 /nfs/dbraw/zinc/13/44/36/209134436.db2.gz BDSJHMXVASGZCQ-HNNXBMFYSA-N 1 2 352.394 2.151 40 0 FEABLO Cn1cc[nH+]c1CN(CCNC(=O)c1cccs1)Cc1ccccn1 ZINC000012116553 207340246 /nfs/dbraw/zinc/34/02/46/207340246.db2.gz JXUDWBACZHHRDJ-UHFFFAOYSA-N 1 2 355.467 2.309 40 0 FEABLO CCOc1ccc(NC(=O)[C@H]2CC(=O)NC(N3C[C@H](C)C[C@@H](C)C3)=[NH+]2)cc1 ZINC000012407204 207371523 /nfs/dbraw/zinc/37/15/23/207371523.db2.gz DKBFSGDYULSANX-CKEIUWERSA-N 1 2 372.469 2.246 40 0 FEABLO CN(C)c1nc(N2CCC[C@H](O)C2)c2c([nH+]1)CN(Cc1ccccc1)CC2 ZINC000072335700 136144525 /nfs/dbraw/zinc/14/45/25/136144525.db2.gz KJKVZDKEJNPUBR-KRWDZBQOSA-N 1 2 367.497 2.062 40 0 FEABLO F[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1OCc1nc2cc[nH]cc-2n1 ZINC000096112123 542992167 /nfs/dbraw/zinc/99/21/67/542992167.db2.gz SWNSGQWSJRYKRS-ACJLOTCBSA-N 1 2 370.384 2.426 40 0 biogenic,in-vitro FEABLO F[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1OCc1nc2cc[nH]cc-2n1 ZINC000096112123 542992170 /nfs/dbraw/zinc/99/21/70/542992170.db2.gz SWNSGQWSJRYKRS-ACJLOTCBSA-N 1 2 370.384 2.426 40 0 biogenic,in-vitro FEABLO COC(=O)c1ccc(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000225225564 548731558 /nfs/dbraw/zinc/73/15/58/548731558.db2.gz PFMHRDJCODUCJC-UHFFFAOYSA-N 1 2 370.478 2.383 40 0 FEABLO Cc1nc(CN2Cc3c[nH+]cn3[C@@H](C(=O)NCc3ccco3)C2)cs1 ZINC000247969623 549396552 /nfs/dbraw/zinc/39/65/52/549396552.db2.gz RVMKQDDBJMZHRB-MRXNPFEDSA-N 1 2 357.439 2.114 40 0 FEABLO CNC(=O)[C@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CC[N@@H+]1C(C)C ZINC000257218402 549718627 /nfs/dbraw/zinc/71/86/27/549718627.db2.gz DCZVSJJWGRISQQ-LJQANCHMSA-N 1 2 370.497 2.158 40 0 FEABLO CNC(=O)[C@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CC[N@H+]1C(C)C ZINC000257218402 549718630 /nfs/dbraw/zinc/71/86/30/549718630.db2.gz DCZVSJJWGRISQQ-LJQANCHMSA-N 1 2 370.497 2.158 40 0 FEABLO CNC(=O)C[N@@H+]1CCC[C@H](c2nccnc2Nc2nc(C)c(C)s2)C1 ZINC000257217277 549719025 /nfs/dbraw/zinc/71/90/25/549719025.db2.gz CYHWPIFTYJWFDT-ZDUSSCGKSA-N 1 2 360.487 2.219 40 0 FEABLO CNC(=O)C[N@H+]1CCC[C@H](c2nccnc2Nc2nc(C)c(C)s2)C1 ZINC000257217277 549719029 /nfs/dbraw/zinc/71/90/29/549719029.db2.gz CYHWPIFTYJWFDT-ZDUSSCGKSA-N 1 2 360.487 2.219 40 0 FEABLO Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000257232789 549719964 /nfs/dbraw/zinc/71/99/64/549719964.db2.gz GMLBTZFEHFMDET-HNNXBMFYSA-N 1 2 366.425 2.036 40 0 FEABLO CN(C)c1cc([C@@H]2CCCN(C(=O)c3ccc4n[nH]nc4c3)C2)cc[nH+]1 ZINC000257269459 549723228 /nfs/dbraw/zinc/72/32/28/549723228.db2.gz MPZYDNMFFKBHJN-OAHLLOKOSA-N 1 2 350.426 2.439 40 0 FEABLO CCn1cc(CN2Cc3c[nH+]cn3[C@@H](CNC(=O)c3ccccc3)C2)cn1 ZINC000306130062 553749146 /nfs/dbraw/zinc/74/91/46/553749146.db2.gz IVMRQJGDKJIUON-IBGZPJMESA-N 1 2 364.453 2.086 40 0 FEABLO O=C(NCC[C@H]1CCOC12C[NH+](Cc1ccco1)C2)C1CC(F)(F)C1 ZINC000306136822 553750565 /nfs/dbraw/zinc/75/05/65/553750565.db2.gz QEKMXNRTFFUIMQ-AWEZNQCLSA-N 1 2 354.397 2.422 40 0 FEABLO CC(C)n1cc(C[N@H+]2Cc3ccnn3C[C@H](CNc3ncccn3)C2)cn1 ZINC000306144226 553751222 /nfs/dbraw/zinc/75/12/22/553751222.db2.gz YZRCAPYOHTYCBM-MRXNPFEDSA-N 1 2 366.473 2.195 40 0 FEABLO CC(C)n1cc(C[N@@H+]2Cc3ccnn3C[C@H](CNc3ncccn3)C2)cn1 ZINC000306144226 553751224 /nfs/dbraw/zinc/75/12/24/553751224.db2.gz YZRCAPYOHTYCBM-MRXNPFEDSA-N 1 2 366.473 2.195 40 0 FEABLO C[C@@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2ccncc2)[nH+]1 ZINC000328972182 553856381 /nfs/dbraw/zinc/85/63/81/553856381.db2.gz DUYYWFQMTRSCAH-ZDUSSCGKSA-N 1 2 369.856 2.441 40 0 FEABLO CO[C@@H]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C[C@H]1Cc1ccc(C)cc1 ZINC000585290818 570496377 /nfs/dbraw/zinc/49/63/77/570496377.db2.gz GTVXSDCBEPESQD-ZAOFJCOUSA-N 1 2 372.509 2.289 40 0 FEABLO CO[C@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CC[C@@H]1Cc1ccccc1C ZINC000585291222 570496405 /nfs/dbraw/zinc/49/64/05/570496405.db2.gz NLOHXKKZLFIYOY-OCXKFJFWSA-N 1 2 372.509 2.289 40 0 FEABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2COCc2ccncc2)no1 ZINC000585094573 571219474 /nfs/dbraw/zinc/21/94/74/571219474.db2.gz CBSJVOMDQQQQCA-KRWDZBQOSA-N 1 2 353.426 2.255 40 0 FEABLO C[C@@H]1c2[nH+]cc(CCOCc3cccnc3)n2CCN1Cc1cn[nH]c1 ZINC000585096793 571221222 /nfs/dbraw/zinc/22/12/22/571221222.db2.gz AUHDABIYNAILTK-OAHLLOKOSA-N 1 2 352.442 2.337 40 0 FEABLO C[C@@H]1c2ncc(CCOCc3cccnc3)n2CC[N@H+]1Cc1cn[nH]c1 ZINC000585096793 571221225 /nfs/dbraw/zinc/22/12/25/571221225.db2.gz AUHDABIYNAILTK-OAHLLOKOSA-N 1 2 352.442 2.337 40 0 FEABLO C[C@@H]1c2ncc(CCOCc3cccnc3)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585096793 571221226 /nfs/dbraw/zinc/22/12/26/571221226.db2.gz AUHDABIYNAILTK-OAHLLOKOSA-N 1 2 352.442 2.337 40 0 FEABLO O=C(NC1CC(F)(F)C1)C1=NO[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000585101131 571222160 /nfs/dbraw/zinc/22/21/60/571222160.db2.gz GSLSTTRZPFZGSA-QGZVFWFLSA-N 1 2 364.396 2.106 40 0 FEABLO O=C(NC1CC(F)(F)C1)C1=NO[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000585101131 571222163 /nfs/dbraw/zinc/22/21/63/571222163.db2.gz GSLSTTRZPFZGSA-QGZVFWFLSA-N 1 2 364.396 2.106 40 0 FEABLO COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)NC(C)C)C[N@@H+]3C)n2)cc1 ZINC000012529923 539563535 /nfs/dbraw/zinc/56/35/35/539563535.db2.gz FWMINUACPGWVJC-ZFWWWQNUSA-N 1 2 359.430 2.198 40 0 biogenic,in-vitro FEABLO COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)NC(C)C)C[N@H+]3C)n2)cc1 ZINC000012529923 539563538 /nfs/dbraw/zinc/56/35/38/539563538.db2.gz FWMINUACPGWVJC-ZFWWWQNUSA-N 1 2 359.430 2.198 40 0 biogenic,in-vitro FEABLO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)C[N@H+](Cc1ccnn1C)CC3 ZINC000012667221 539570099 /nfs/dbraw/zinc/57/00/99/539570099.db2.gz NGSUKLOQRKMORW-UHFFFAOYSA-N 1 2 364.409 2.295 40 0 FEABLO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)C[N@@H+](Cc1ccnn1C)CC3 ZINC000012667221 539570105 /nfs/dbraw/zinc/57/01/05/539570105.db2.gz NGSUKLOQRKMORW-UHFFFAOYSA-N 1 2 364.409 2.295 40 0 FEABLO Cc1csc2c([C@@H]3CCCN(C(=O)CCn4cncn4)C3)[nH+]c(C)n12 ZINC000019240418 539653564 /nfs/dbraw/zinc/65/35/64/539653564.db2.gz PSRNBQOJJIJWML-CQSZACIVSA-N 1 2 358.471 2.400 40 0 FEABLO CNc1nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)nc2c1C[N@H+](C)CC2 ZINC000019711432 539667158 /nfs/dbraw/zinc/66/71/58/539667158.db2.gz MKTXHJRXOVBSPH-OAHLLOKOSA-N 1 2 357.502 2.402 40 0 FEABLO CNc1nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019711432 539667162 /nfs/dbraw/zinc/66/71/62/539667162.db2.gz MKTXHJRXOVBSPH-OAHLLOKOSA-N 1 2 357.502 2.402 40 0 FEABLO C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464370 539674779 /nfs/dbraw/zinc/67/47/79/539674779.db2.gz LZAOBZKWDVPRMQ-STQMWFEESA-N 1 2 372.425 2.373 40 0 biogenic,in-vitro FEABLO C[N@H+]1C[C@@H](NC(=O)C(C)(C)C)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464370 539674781 /nfs/dbraw/zinc/67/47/81/539674781.db2.gz LZAOBZKWDVPRMQ-STQMWFEESA-N 1 2 372.425 2.373 40 0 biogenic,in-vitro FEABLO O=C(CO[C@@H]1CCOC2(C[NH+](Cc3cccc(F)c3)C2)C1)N1CCCC1 ZINC000247741057 209916336 /nfs/dbraw/zinc/91/63/36/209916336.db2.gz NZTRGWLRLGSMHJ-GOSISDBHSA-N 1 2 362.445 2.198 40 0 FEABLO Cc1c(C(=O)N2CC[NH+](C)CC2)cnc2nc(-c3cccc(Cl)c3)nn21 ZINC000054670908 540601436 /nfs/dbraw/zinc/60/14/36/540601436.db2.gz LMWANLPPYGCPRL-UHFFFAOYSA-N 1 2 370.844 2.141 40 0 FEABLO Cn1cccc1C(=O)N1CCc2[nH+]c(N3CCCC3)nc(NC3CC3)c2C1 ZINC000096254116 209145648 /nfs/dbraw/zinc/14/56/48/209145648.db2.gz NQXYTLZKQJEZML-UHFFFAOYSA-N 1 2 366.469 2.188 40 0 FEABLO O=S(=O)(C1CC1)N1CCC(F)(F)[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096239628 209142124 /nfs/dbraw/zinc/14/21/24/209142124.db2.gz XSLOULZNLBAACY-OAHLLOKOSA-N 1 2 357.426 2.111 40 0 FEABLO O=C(c1cnccn1)N1CCC(F)(F)[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096239620 209142149 /nfs/dbraw/zinc/14/21/49/209142149.db2.gz LUJPJROQNMUKSA-QGZVFWFLSA-N 1 2 359.380 2.250 40 0 FEABLO CCOC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2nn(C)c3ccccc32)C1 ZINC000096207171 209133970 /nfs/dbraw/zinc/13/39/70/209133970.db2.gz WYOBLNRPHPTLQZ-AWEZNQCLSA-N 1 2 353.426 2.079 40 0 FEABLO Cc1ccc(C(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)cc1F ZINC000096084714 209110432 /nfs/dbraw/zinc/11/04/32/209110432.db2.gz IHISCHQLVHNGBZ-UHFFFAOYSA-N 1 2 354.389 2.017 40 0 FEABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000006316343 207137120 /nfs/dbraw/zinc/13/71/20/207137120.db2.gz AUYYXFVHTLZORB-UHFFFAOYSA-N 1 2 373.478 2.183 40 0 FEABLO CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1nnnn1Cc1ccc(C)cc1 ZINC000035314277 207131267 /nfs/dbraw/zinc/13/12/67/207131267.db2.gz LAOKZFPJYAVAHH-YQQQUEKLSA-N 1 2 368.485 2.051 40 0 FEABLO CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1nnnn1Cc1ccc(C)cc1 ZINC000035314277 207131272 /nfs/dbraw/zinc/13/12/72/207131272.db2.gz LAOKZFPJYAVAHH-YQQQUEKLSA-N 1 2 368.485 2.051 40 0 FEABLO O=C(CCc1cccc(Cl)c1)N1CCC[C@H](c2nnc3n2CC[NH2+]C3)C1 ZINC000019711037 207699597 /nfs/dbraw/zinc/69/95/97/207699597.db2.gz NQPIRIIEBKTRSO-HNNXBMFYSA-N 1 2 373.888 2.374 40 0 FEABLO O=C(NCc1ccc2c(c1)OCO2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030849243 208005505 /nfs/dbraw/zinc/00/55/05/208005505.db2.gz JNNKSDKOKTWOAL-UHFFFAOYSA-N 1 2 354.406 2.178 40 0 FEABLO Cc1nc(C[N@@H+]2CCC[C@]3(CN(c4ccc(C)nn4)CCO3)C2)cs1 ZINC000096226685 132222780 /nfs/dbraw/zinc/22/27/80/132222780.db2.gz BSSLLBIGJUPRHP-GOSISDBHSA-N 1 2 359.499 2.421 40 0 FEABLO Cc1nc(C[N@H+]2CCC[C@]3(CN(c4ccc(C)nn4)CCO3)C2)cs1 ZINC000096226685 132222781 /nfs/dbraw/zinc/22/27/81/132222781.db2.gz BSSLLBIGJUPRHP-GOSISDBHSA-N 1 2 359.499 2.421 40 0 FEABLO O=C(NCCc1cccs1)[C@H]1CN(Cc2ccco2)Cc2c[nH+]cn21 ZINC000247463165 549338081 /nfs/dbraw/zinc/33/80/81/549338081.db2.gz BRDXXMVGSUBCAS-QGZVFWFLSA-N 1 2 356.451 2.453 40 0 FEABLO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000020492553 525067865 /nfs/dbraw/zinc/06/78/65/525067865.db2.gz DIFUJXFULMOJOB-UHFFFAOYSA-N 1 2 373.434 2.368 40 0 FEABLO CN(C)c1cc(N2CC3(C2)C[C@@H](OCc2ccccn2)CS3)nc[nH+]1 ZINC000248086304 549405541 /nfs/dbraw/zinc/40/55/41/549405541.db2.gz DPPODWIUGAZSDM-OAHLLOKOSA-N 1 2 357.483 2.219 40 0 FEABLO CN(C)c1cc(N2CC3(C2)C[C@@H](OCc2ccccn2)CS3)[nH+]cn1 ZINC000248086304 549405546 /nfs/dbraw/zinc/40/55/46/549405546.db2.gz DPPODWIUGAZSDM-OAHLLOKOSA-N 1 2 357.483 2.219 40 0 FEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)CCn3nnc4ccccc43)C2)[nH+]1 ZINC000257201130 549716643 /nfs/dbraw/zinc/71/66/43/549716643.db2.gz AGKYBMBBWVEMLE-OAHLLOKOSA-N 1 2 352.442 2.270 40 0 FEABLO Cc1ccc(C[N@H+]2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C2)o1 ZINC000257236392 549720159 /nfs/dbraw/zinc/72/01/59/549720159.db2.gz HBYWIKIMXTYUFC-KBPBESRZSA-N 1 2 358.442 2.256 40 0 FEABLO Cc1ccc(C[N@@H+]2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C2)o1 ZINC000257236392 549720160 /nfs/dbraw/zinc/72/01/60/549720160.db2.gz HBYWIKIMXTYUFC-KBPBESRZSA-N 1 2 358.442 2.256 40 0 FEABLO Cn1cc[nH+]c1CN1CCC[C@H]1c1cccc(C(=O)Nc2cnccn2)n1 ZINC000257274371 549723337 /nfs/dbraw/zinc/72/33/37/549723337.db2.gz NKTKWNNMDZPNNP-INIZCTEOSA-N 1 2 363.425 2.195 40 0 FEABLO CNc1nc([C@@H]2CCN(C(=O)CC3CCCC3)C2)nc2c1C[N@H+](C)CC2 ZINC000257270449 549723361 /nfs/dbraw/zinc/72/33/61/549723361.db2.gz MUGSADDFWDOGRP-OAHLLOKOSA-N 1 2 357.502 2.402 40 0 FEABLO CNc1nc([C@@H]2CCN(C(=O)CC3CCCC3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257270449 549723365 /nfs/dbraw/zinc/72/33/65/549723365.db2.gz MUGSADDFWDOGRP-OAHLLOKOSA-N 1 2 357.502 2.402 40 0 FEABLO O=C(Cc1ccco1)N1Cc2ccnn2C[C@H](CNc2cccc[nH+]2)C1 ZINC000306129484 553748718 /nfs/dbraw/zinc/74/87/18/553748718.db2.gz IEPGWEUZFZNNOL-OAHLLOKOSA-N 1 2 351.410 2.184 40 0 FEABLO O=S1(=O)N[C@@H]2C[N@H+](Cc3ccco3)C[C@H]2N(CC2CC2)c2ccccc21 ZINC000306126058 553749208 /nfs/dbraw/zinc/74/92/08/553749208.db2.gz DKUXKWXVADZSOV-SJLPKXTDSA-N 1 2 373.478 2.041 40 0 FEABLO O=S1(=O)N[C@@H]2C[N@@H+](Cc3ccco3)C[C@H]2N(CC2CC2)c2ccccc21 ZINC000306126058 553749210 /nfs/dbraw/zinc/74/92/10/553749210.db2.gz DKUXKWXVADZSOV-SJLPKXTDSA-N 1 2 373.478 2.041 40 0 FEABLO COCC(=O)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306130726 553749265 /nfs/dbraw/zinc/74/92/65/553749265.db2.gz JOBPMBLIZMXPLH-IBGZPJMESA-N 1 2 362.433 2.447 40 0 FEABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@@H]2CCNC(=O)N1CCCC1 ZINC000306132886 553749405 /nfs/dbraw/zinc/74/94/05/553749405.db2.gz LVHRHPHZUGSRIC-HNNXBMFYSA-N 1 2 364.515 2.238 40 0 FEABLO O=C(c1ccc2c(c1)OCO2)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306138091 553750256 /nfs/dbraw/zinc/75/02/56/553750256.db2.gz ROUATCHXYNTOFB-HDMKZQKVSA-N 1 2 367.405 2.009 40 0 FEABLO Cn1cc(C[N@@H+]2C[C@@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306136762 553750351 /nfs/dbraw/zinc/75/03/51/553750351.db2.gz QCQUZRFUENXIRT-VQIMIIECSA-N 1 2 369.446 2.435 40 0 FEABLO Cn1cc(C[N@H+]2C[C@@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306136762 553750354 /nfs/dbraw/zinc/75/03/54/553750354.db2.gz QCQUZRFUENXIRT-VQIMIIECSA-N 1 2 369.446 2.435 40 0 FEABLO CC(C)Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(N[C@@H](C)CO)n1 ZINC000328986991 553859113 /nfs/dbraw/zinc/85/91/13/553859113.db2.gz HZSJCMBIHUUPJP-NSHDSACASA-N 1 2 370.375 2.499 40 0 FEABLO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2ccncc2F)CC[C@@]1(C)O ZINC000604382270 568287010 /nfs/dbraw/zinc/28/70/10/568287010.db2.gz MQNMLXBUFDBXMZ-SLFFLAALSA-N 1 2 357.429 2.423 40 0 biogenic,in-vitro FEABLO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2ccncc2F)CC[C@@]1(C)O ZINC000604382270 568287011 /nfs/dbraw/zinc/28/70/11/568287011.db2.gz MQNMLXBUFDBXMZ-SLFFLAALSA-N 1 2 357.429 2.423 40 0 biogenic,in-vitro FEABLO C[C@H]1c2ncc(CCOc3cc[nH+]cc3)n2CCN1C(=O)c1cocn1 ZINC000585097972 571220851 /nfs/dbraw/zinc/22/08/51/571220851.db2.gz PVQXCKQGJVRONC-ZDUSSCGKSA-N 1 2 353.382 2.105 40 0 FEABLO Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000006961689 539442757 /nfs/dbraw/zinc/44/27/57/539442757.db2.gz YNZPVXDEZCFGIY-GDNBJRDFSA-N 1 2 351.410 2.262 40 0 FEABLO O=C(NCCC[NH+]1CCOCC1)Nc1c[nH]c2c(Cl)cccc2c1=O ZINC000013565986 539587612 /nfs/dbraw/zinc/58/76/12/539587612.db2.gz OYTWQICWPYCRBK-UHFFFAOYSA-N 1 2 364.833 2.025 40 0 FEABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1C(=O)c1cn(C)nc1C ZINC000257341074 210005126 /nfs/dbraw/zinc/00/51/26/210005126.db2.gz ZISVMHSHTIBHEV-MRXNPFEDSA-N 1 2 351.410 2.331 40 0 FEABLO Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](CNc3cccc[nH+]3)C2)nc1 ZINC000253603593 209949443 /nfs/dbraw/zinc/94/94/43/209949443.db2.gz ZNZAVZJEYMOXGX-MRXNPFEDSA-N 1 2 362.437 2.366 40 0 FEABLO O=C(Nc1cccc(OCC[NH+]2CCOCC2)c1)c1ccnn1C(F)F ZINC000019330960 539654847 /nfs/dbraw/zinc/65/48/47/539654847.db2.gz WZCNXZWZASZXQT-UHFFFAOYSA-N 1 2 366.368 2.242 40 0 FEABLO O=S(=O)(NCc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)OCO2 ZINC000019349562 539656403 /nfs/dbraw/zinc/65/64/03/539656403.db2.gz BGIIOBACCDHUQV-UHFFFAOYSA-N 1 2 357.391 2.080 40 0 FEABLO O=C(/C=C/c1ccccc1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000019229465 539653969 /nfs/dbraw/zinc/65/39/69/539653969.db2.gz HCWPORNPJZRLPC-YVNCXZRQSA-N 1 2 366.461 2.284 40 0 FEABLO CCOc1ccc2cc3c(nc2c1)OC(=O)N(CC[NH+]1CCOCC1)C3 ZINC000019519989 539658674 /nfs/dbraw/zinc/65/86/74/539658674.db2.gz FHIOWTVTILBZSE-UHFFFAOYSA-N 1 2 357.410 2.280 40 0 FEABLO COc1cccc(NC(=O)NC2(C(=O)N3CC[NH+](C)CC3)CCCCC2)c1 ZINC000019589697 539663693 /nfs/dbraw/zinc/66/36/93/539663693.db2.gz VCSPLDYCUDMMNB-UHFFFAOYSA-N 1 2 374.485 2.294 40 0 FEABLO O=C(CN1CCN(c2nccs2)CC1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000019657984 539664521 /nfs/dbraw/zinc/66/45/21/539664521.db2.gz VTCHEMKLMZPYST-UHFFFAOYSA-N 1 2 368.466 2.090 40 0 FEABLO CN(C)C(=O)c1ccc(C2CC[NH+](CC(=O)Nc3nccs3)CC2)nc1 ZINC000019705794 539666029 /nfs/dbraw/zinc/66/60/29/539666029.db2.gz VAMQBGFKVDSGEZ-UHFFFAOYSA-N 1 2 373.482 2.058 40 0 FEABLO Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2[nH+]c(N3CCCC3)nc(N)c21 ZINC000019974101 539671988 /nfs/dbraw/zinc/67/19/88/539671988.db2.gz ODAVMEZQEYEPFC-GFCCVEGCSA-N 1 2 366.425 2.032 40 0 FEABLO O=C(NCc1ccccc1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096259593 209145916 /nfs/dbraw/zinc/14/59/16/209145916.db2.gz IFWHUJKXXHTAOC-UHFFFAOYSA-N 1 2 368.485 2.380 40 0 FEABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2CCNC(=O)N1CCCC1 ZINC000306143366 206672486 /nfs/dbraw/zinc/67/24/86/206672486.db2.gz YAGGRHUBBNYAIF-SFHVURJKSA-N 1 2 373.497 2.482 40 0 FEABLO Cc1cc(N2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@@H]32)ccc1Br ZINC000007278187 207192666 /nfs/dbraw/zinc/19/26/66/207192666.db2.gz XDBWSPUYZIZFSP-QWRGUYRKSA-N 1 2 361.286 2.411 40 0 FEABLO CNc1nc(N2CC[NH+](C)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000010157663 207295704 /nfs/dbraw/zinc/29/57/04/207295704.db2.gz HOJATERQKBJTFZ-OAHLLOKOSA-N 1 2 351.454 2.183 40 0 FEABLO CCn1cc(C[N@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)c(C)n1 ZINC000012253453 207351999 /nfs/dbraw/zinc/35/19/99/207351999.db2.gz WGSDAKDBZQXQSM-UHFFFAOYSA-N 1 2 357.483 2.350 40 0 FEABLO CCn1cc(C[N@@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)c(C)n1 ZINC000012253453 207352005 /nfs/dbraw/zinc/35/20/05/207352005.db2.gz WGSDAKDBZQXQSM-UHFFFAOYSA-N 1 2 357.483 2.350 40 0 FEABLO CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000030853134 208006955 /nfs/dbraw/zinc/00/69/55/208006955.db2.gz KWSCVGBOUAICRB-UHFFFAOYSA-N 1 2 370.434 2.309 40 0 FEABLO Cc1nn2c(nnc3c2ccn(CCc2c[nH+]c[nH]2)c3=O)c1-c1ccccc1 ZINC000040391015 208249345 /nfs/dbraw/zinc/24/93/45/208249345.db2.gz UHJAVZDDIORPBL-UHFFFAOYSA-N 1 2 371.404 2.380 40 0 FEABLO Cc1nn2c(nnc3c2ccn(CCc2c[nH]c[nH+]2)c3=O)c1-c1ccccc1 ZINC000040391015 208249353 /nfs/dbraw/zinc/24/93/53/208249353.db2.gz UHJAVZDDIORPBL-UHFFFAOYSA-N 1 2 371.404 2.380 40 0 FEABLO Cc1ccc(C[N@@H+]2CCO[C@]3(C2)COCCN(Cc2ccncc2)C3)o1 ZINC000096049833 209102633 /nfs/dbraw/zinc/10/26/33/209102633.db2.gz KKHDHXGDNYCBEF-HXUWFJFHSA-N 1 2 357.454 2.086 40 0 FEABLO Cc1ccc(C[N@H+]2CCO[C@]3(C2)COCCN(Cc2ccncc2)C3)o1 ZINC000096049833 209102637 /nfs/dbraw/zinc/10/26/37/209102637.db2.gz KKHDHXGDNYCBEF-HXUWFJFHSA-N 1 2 357.454 2.086 40 0 FEABLO Cc1ccccc1N1C[C@@]2(COCC[N@H+](Cc3ccccn3)C2)OCC1=O ZINC000096240106 132223648 /nfs/dbraw/zinc/22/36/48/132223648.db2.gz OSTMFAMYMYGTDN-NRFANRHFSA-N 1 2 367.449 2.024 40 0 FEABLO Cc1ccccc1N1C[C@@]2(COCC[N@@H+](Cc3ccccn3)C2)OCC1=O ZINC000096240106 132223649 /nfs/dbraw/zinc/22/36/49/132223649.db2.gz OSTMFAMYMYGTDN-NRFANRHFSA-N 1 2 367.449 2.024 40 0 FEABLO O=S1(=O)CC[C@@H](COc2ncccc2F)C12C[NH+](CC1CCCC1)C2 ZINC000247291390 549312190 /nfs/dbraw/zinc/31/21/90/549312190.db2.gz BCFVRUMMAIJDRQ-HNNXBMFYSA-N 1 2 368.474 2.279 40 0 FEABLO O=C(C[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21)N1CCCC1 ZINC000247882604 549389905 /nfs/dbraw/zinc/38/99/05/549389905.db2.gz WDXNOCSZTHTQPM-KRWDZBQOSA-N 1 2 368.437 2.181 40 0 FEABLO O=C(C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21)N1CCCC1 ZINC000247882604 549389907 /nfs/dbraw/zinc/38/99/07/549389907.db2.gz WDXNOCSZTHTQPM-KRWDZBQOSA-N 1 2 368.437 2.181 40 0 FEABLO CCn1nc(C)c(C[N@@H+]2CCC[C@@H]2c2nccc(CNC(C)=O)n2)c1C ZINC000257250454 549722021 /nfs/dbraw/zinc/72/20/21/549722021.db2.gz JMOVQECMGFHQDZ-GOSISDBHSA-N 1 2 356.474 2.283 40 0 FEABLO CCn1nc(C)c(C[N@H+]2CCC[C@@H]2c2nccc(CNC(C)=O)n2)c1C ZINC000257250454 549722024 /nfs/dbraw/zinc/72/20/24/549722024.db2.gz JMOVQECMGFHQDZ-GOSISDBHSA-N 1 2 356.474 2.283 40 0 FEABLO Cn1cccc1C(=O)N1CCC[C@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257276197 549723874 /nfs/dbraw/zinc/72/38/74/549723874.db2.gz NSTFDVRJGZSQSE-SFHVURJKSA-N 1 2 354.454 2.230 40 0 FEABLO O=C(COc1ccccc1)N1CCC(c2nccnc2-n2cc[nH+]c2)CC1 ZINC000257316516 549727717 /nfs/dbraw/zinc/72/77/17/549727717.db2.gz VFYFKYUGDLZDRW-UHFFFAOYSA-N 1 2 363.421 2.447 40 0 FEABLO c1csc(C[N@H+]2Cc3ccnn3C[C@@H](CCNc3ncccn3)C2)n1 ZINC000306129440 553748725 /nfs/dbraw/zinc/74/87/25/553748725.db2.gz IDJKNUHZUBQVNX-AWEZNQCLSA-N 1 2 355.471 2.264 40 0 FEABLO c1csc(C[N@@H+]2Cc3ccnn3C[C@@H](CCNc3ncccn3)C2)n1 ZINC000306129440 553748727 /nfs/dbraw/zinc/74/87/27/553748727.db2.gz IDJKNUHZUBQVNX-AWEZNQCLSA-N 1 2 355.471 2.264 40 0 FEABLO CC(C)NC(=O)Cc1cn2c(n1)[C@@H](C)[N@@H+](Cc1cnn(C(C)C)c1)CC2 ZINC000306135583 553750832 /nfs/dbraw/zinc/75/08/32/553750832.db2.gz OVFATTPQHJNWAM-OAHLLOKOSA-N 1 2 358.490 2.304 40 0 FEABLO CC(C)NC(=O)Cc1cn2c(n1)[C@@H](C)[N@H+](Cc1cnn(C(C)C)c1)CC2 ZINC000306135583 553750835 /nfs/dbraw/zinc/75/08/35/553750835.db2.gz OVFATTPQHJNWAM-OAHLLOKOSA-N 1 2 358.490 2.304 40 0 FEABLO COc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(N[C@H](C)CO)n1 ZINC000328986960 553859148 /nfs/dbraw/zinc/85/91/48/553859148.db2.gz HZKUZMJGFQOESC-OAHLLOKOSA-N 1 2 364.449 2.401 40 0 FEABLO OCCCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccccc2)[nH+]1 ZINC000329021760 553866535 /nfs/dbraw/zinc/86/65/35/553866535.db2.gz OIVZLWRHIDQFKB-UHFFFAOYSA-N 1 2 364.405 2.254 40 0 FEABLO C[C@H](CO)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000329031322 553867577 /nfs/dbraw/zinc/86/75/77/553867577.db2.gz QIPWQGWERUPDNE-GFCCVEGCSA-N 1 2 371.391 2.065 40 0 FEABLO OCCCNc1nc(NCc2ccc(Cl)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329064692 553873801 /nfs/dbraw/zinc/87/38/01/553873801.db2.gz XLUUUNJLCRTOJZ-UHFFFAOYSA-N 1 2 369.856 2.442 40 0 FEABLO COc1ncccc1C[N@H+]1Cc2cccn2C[C@@H](Oc2ncccn2)C1 ZINC000585112213 571226024 /nfs/dbraw/zinc/22/60/24/571226024.db2.gz NABNUFZBUWTCKM-KRWDZBQOSA-N 1 2 351.410 2.145 40 0 FEABLO COc1ncccc1C[N@@H+]1Cc2cccn2C[C@@H](Oc2ncccn2)C1 ZINC000585112213 571226025 /nfs/dbraw/zinc/22/60/25/571226025.db2.gz NABNUFZBUWTCKM-KRWDZBQOSA-N 1 2 351.410 2.145 40 0 FEABLO Cc1ccc(Cn2nnnc2C[NH+]2CCC(NC(=O)C(C)(C)C)CC2)cc1 ZINC000004910309 539395567 /nfs/dbraw/zinc/39/55/67/539395567.db2.gz KYCJJJBAVLBZKF-UHFFFAOYSA-N 1 2 370.501 2.157 40 0 FEABLO CSc1nnc([C@@H]2CCC[N@H+](CC(=O)NCc3cccs3)C2)n1C ZINC000005001467 539399274 /nfs/dbraw/zinc/39/92/74/539399274.db2.gz IJKOSIRDGKDEGU-GFCCVEGCSA-N 1 2 365.528 2.094 40 0 FEABLO CSc1nnc([C@@H]2CCC[N@@H+](CC(=O)NCc3cccs3)C2)n1C ZINC000005001467 539399279 /nfs/dbraw/zinc/39/92/79/539399279.db2.gz IJKOSIRDGKDEGU-GFCCVEGCSA-N 1 2 365.528 2.094 40 0 FEABLO CCn1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)c(C)n1 ZINC000012142562 539545823 /nfs/dbraw/zinc/54/58/23/539545823.db2.gz HCTSJTLEYDVTJJ-QFBILLFUSA-N 1 2 368.485 2.100 40 0 FEABLO CCn1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)c(C)n1 ZINC000012142562 539545830 /nfs/dbraw/zinc/54/58/30/539545830.db2.gz HCTSJTLEYDVTJJ-QFBILLFUSA-N 1 2 368.485 2.100 40 0 FEABLO COc1cccc([C@H](NC(=O)c2cccnc2)c2[nH+]ccn2C)c1OC ZINC000012221713 539550141 /nfs/dbraw/zinc/55/01/41/539550141.db2.gz QINFFURQGYADFM-INIZCTEOSA-N 1 2 352.394 2.352 40 0 FEABLO Fc1ccc(-c2nc(NCC[NH+]3CCOCC3)ncc2-c2ncc[nH]2)cc1 ZINC000019336460 539654660 /nfs/dbraw/zinc/65/46/60/539654660.db2.gz QDQOZZHOOVZQLW-UHFFFAOYSA-N 1 2 368.416 2.417 40 0 FEABLO Cc1nc(C)c(C(=O)N2CCc3nnc([C@H]4CCCC[N@H+]4C)n3CC2)s1 ZINC000019706449 539666620 /nfs/dbraw/zinc/66/66/20/539666620.db2.gz UVCYXLPOKKCJJE-CQSZACIVSA-N 1 2 374.514 2.207 40 0 FEABLO Cc1nc(C)c(C(=O)N2CCc3nnc([C@H]4CCCC[N@@H+]4C)n3CC2)s1 ZINC000019706449 539666626 /nfs/dbraw/zinc/66/66/26/539666626.db2.gz UVCYXLPOKKCJJE-CQSZACIVSA-N 1 2 374.514 2.207 40 0 FEABLO Cc1cc2[nH]c(CCNC(=O)Cn3c(C)c(C)c(C)nc3=O)[nH+]c2cc1C ZINC000019716188 539667345 /nfs/dbraw/zinc/66/73/45/539667345.db2.gz IDLXWQOOUAOZFA-UHFFFAOYSA-N 1 2 367.453 2.021 40 0 FEABLO CCOC(=O)c1n[nH]cc1-c1c[nH+]cn1CCc1ccc2c(c1)OCCO2 ZINC000019719721 539668396 /nfs/dbraw/zinc/66/83/96/539668396.db2.gz ZWDGCZSHIWISLH-UHFFFAOYSA-N 1 2 368.393 2.464 40 0 FEABLO COc1ccc(-c2nc(C(=O)N[C@@H](C)C[NH+]3CCOCC3)cs2)cc1 ZINC000019717300 539668550 /nfs/dbraw/zinc/66/85/50/539668550.db2.gz VAKPQNXPEURPTJ-ZDUSSCGKSA-N 1 2 361.467 2.269 40 0 FEABLO Cc1ncc(C(=O)N2CCCC2)c(CC2CC[NH+](Cc3ncc[nH]3)CC2)n1 ZINC000019757075 539669040 /nfs/dbraw/zinc/66/90/40/539669040.db2.gz VQSNSTWVRKVTIG-UHFFFAOYSA-N 1 2 368.485 2.199 40 0 FEABLO Cn1ccnc1C[N@@H+]1CCOC[C@]2(C[C@@H](CNc3ccccc3)CO2)C1 ZINC000107243482 209276179 /nfs/dbraw/zinc/27/61/79/209276179.db2.gz OWJVHMMTWBUSTI-PXNSSMCTSA-N 1 2 356.470 2.140 40 0 FEABLO Cn1ccnc1C[N@H+]1CCOC[C@]2(C[C@@H](CNc3ccccc3)CO2)C1 ZINC000107243482 209276183 /nfs/dbraw/zinc/27/61/83/209276183.db2.gz OWJVHMMTWBUSTI-PXNSSMCTSA-N 1 2 356.470 2.140 40 0 FEABLO Cn1cc[nH+]c1CN1CCOC[C@]2(C[C@@H](CNc3ccccc3)CO2)C1 ZINC000107243482 209276185 /nfs/dbraw/zinc/27/61/85/209276185.db2.gz OWJVHMMTWBUSTI-PXNSSMCTSA-N 1 2 356.470 2.140 40 0 FEABLO Cc1c(C[N@@H+]2CCc3c(nc4cc(C(C)(C)C)[nH]n4c3=O)C2)cnn1C ZINC000072339325 541800268 /nfs/dbraw/zinc/80/02/68/541800268.db2.gz XQFDJSBLLREAIN-UHFFFAOYSA-N 1 2 354.458 2.333 40 0 FEABLO Cc1c(C[N@H+]2CCc3c(nc4cc(C(C)(C)C)[nH]n4c3=O)C2)cnn1C ZINC000072339325 541800271 /nfs/dbraw/zinc/80/02/71/541800271.db2.gz XQFDJSBLLREAIN-UHFFFAOYSA-N 1 2 354.458 2.333 40 0 FEABLO CC(=O)NCC(=O)N1CCC[C@@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000072353348 541801300 /nfs/dbraw/zinc/80/13/00/541801300.db2.gz ICNVMVVCCSDYAG-MRXNPFEDSA-N 1 2 367.453 2.371 40 0 FEABLO O=C([C@H]1CCCO1)N1CCC(F)(F)[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096239635 209141421 /nfs/dbraw/zinc/14/14/21/209141421.db2.gz YHYQYMJCZMHPQM-PBHICJAKSA-N 1 2 351.397 2.325 40 0 FEABLO Cc1cccc(C[N@@H+]2CCOC[C@@]3(CN(c4ccsc4)C(=O)CO3)C2)n1 ZINC000096240196 209141447 /nfs/dbraw/zinc/14/14/47/209141447.db2.gz SEETXTXXNFSDPA-IBGZPJMESA-N 1 2 373.478 2.086 40 0 FEABLO Cc1cccc(C[N@H+]2CCOC[C@@]3(CN(c4ccsc4)C(=O)CO3)C2)n1 ZINC000096240196 209141449 /nfs/dbraw/zinc/14/14/49/209141449.db2.gz SEETXTXXNFSDPA-IBGZPJMESA-N 1 2 373.478 2.086 40 0 FEABLO c1csc(C[N@@H+]2CCO[C@]3(C2)COCCN(c2nccs2)C3)c1 ZINC000096076869 209107777 /nfs/dbraw/zinc/10/77/77/209107777.db2.gz ZRAMUZDYSSPSIO-INIZCTEOSA-N 1 2 351.497 2.312 40 0 FEABLO c1csc(C[N@H+]2CCO[C@]3(C2)COCCN(c2nccs2)C3)c1 ZINC000096076869 209107780 /nfs/dbraw/zinc/10/77/80/209107780.db2.gz ZRAMUZDYSSPSIO-INIZCTEOSA-N 1 2 351.497 2.312 40 0 FEABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000004884927 207058473 /nfs/dbraw/zinc/05/84/73/207058473.db2.gz JMAYTTKKIKIUGQ-WZTLGTBRSA-N 1 2 364.467 2.116 40 0 FEABLO Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NS(=O)(=O)c1ccccc1 ZINC000010112925 207295177 /nfs/dbraw/zinc/29/51/77/207295177.db2.gz RIKQUPZXMQIMII-UHFFFAOYSA-N 1 2 373.478 2.183 40 0 FEABLO COc1ccc(OC)c(C[N@@H+](Cc2cnc(N)nc2)C[C@@H]2CCCO2)c1 ZINC000012187511 207346225 /nfs/dbraw/zinc/34/62/25/207346225.db2.gz FHOPSJWIJWXNHE-KRWDZBQOSA-N 1 2 358.442 2.257 40 0 FEABLO COc1ccc(OC)c(C[N@H+](Cc2cnc(N)nc2)C[C@@H]2CCCO2)c1 ZINC000012187511 207346231 /nfs/dbraw/zinc/34/62/31/207346231.db2.gz FHOPSJWIJWXNHE-KRWDZBQOSA-N 1 2 358.442 2.257 40 0 FEABLO Cn1ccnc1-c1cc2nc3c(c(NCCc4c[nH]c[nH+]4)n2n1)CCCC3 ZINC000012087653 207336772 /nfs/dbraw/zinc/33/67/72/207336772.db2.gz YLHVOCBFYBMSMO-UHFFFAOYSA-N 1 2 362.441 2.386 40 0 FEABLO Cn1ccnc1-c1cc2nc3c(c(NCCc4c[nH+]c[nH]4)n2n1)CCCC3 ZINC000012087653 207336775 /nfs/dbraw/zinc/33/67/75/207336775.db2.gz YLHVOCBFYBMSMO-UHFFFAOYSA-N 1 2 362.441 2.386 40 0 FEABLO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cc1F ZINC000022531484 207811679 /nfs/dbraw/zinc/81/16/79/207811679.db2.gz CYFRQWGIWQIWDK-UHFFFAOYSA-N 1 2 361.398 2.499 40 0 FEABLO Cc1ccc(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)c(C)c1 ZINC000044241763 136121570 /nfs/dbraw/zinc/12/15/70/136121570.db2.gz MKPDCTCDCHCMFJ-UHFFFAOYSA-N 1 2 370.526 2.202 40 0 FEABLO CCOC(=O)N1CC[NH+](C[C@@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1 ZINC000095533205 209079100 /nfs/dbraw/zinc/07/91/00/209079100.db2.gz YMLVJQDQZDAEFW-TVKQPGBESA-N 1 2 368.518 2.353 40 0 FEABLO O=C(Cc1cccc(F)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019934932 527261684 /nfs/dbraw/zinc/26/16/84/527261684.db2.gz QARYUPAIBRFNGJ-UHFFFAOYSA-N 1 2 356.397 2.441 40 0 FEABLO COc1ccc(OCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000224345101 548729068 /nfs/dbraw/zinc/72/90/68/548729068.db2.gz ODCBLDLPTBGOOF-UHFFFAOYSA-N 1 2 370.449 2.336 40 0 FEABLO O=S(=O)(NCC[C@@H]1C[N@H+](CC2CC2)Cc2ccnn21)c1ccccc1 ZINC000247331654 549319822 /nfs/dbraw/zinc/31/98/22/549319822.db2.gz PAUULGIRGVHXLH-QGZVFWFLSA-N 1 2 360.483 2.018 40 0 FEABLO O=S(=O)(NCC[C@@H]1C[N@@H+](CC2CC2)Cc2ccnn21)c1ccccc1 ZINC000247331654 549319825 /nfs/dbraw/zinc/31/98/25/549319825.db2.gz PAUULGIRGVHXLH-QGZVFWFLSA-N 1 2 360.483 2.018 40 0 FEABLO O=C(CO[C@H]1CCOC2(C[NH+](Cc3ccccc3F)C2)C1)N1CCCC1 ZINC000247743191 549376455 /nfs/dbraw/zinc/37/64/55/549376455.db2.gz PGQTYQYWBGECDR-KRWDZBQOSA-N 1 2 362.445 2.198 40 0 FEABLO CN(C)c1cc(N2CC3(C2)C[C@H](OCc2ccccn2)CS3)nc[nH+]1 ZINC000248086297 549406096 /nfs/dbraw/zinc/40/60/96/549406096.db2.gz DPPODWIUGAZSDM-HNNXBMFYSA-N 1 2 357.483 2.219 40 0 FEABLO CN(C)c1cc(N2CC3(C2)C[C@H](OCc2ccccn2)CS3)[nH+]cn1 ZINC000248086297 549406100 /nfs/dbraw/zinc/40/61/00/549406100.db2.gz DPPODWIUGAZSDM-HNNXBMFYSA-N 1 2 357.483 2.219 40 0 FEABLO Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@H](CNc2cccc[nH+]2)C1 ZINC000252014366 549662419 /nfs/dbraw/zinc/66/24/19/549662419.db2.gz UTTOYOQLBGFTNP-OAHLLOKOSA-N 1 2 366.425 2.267 40 0 FEABLO CCCn1cc[nH+]c1CN1CCC[C@@H]1c1nc(C)ncc1CNC(C)=O ZINC000257255104 549721629 /nfs/dbraw/zinc/72/16/29/549721629.db2.gz KGDHLYWJEOEDPL-QGZVFWFLSA-N 1 2 356.474 2.365 40 0 FEABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccnc1 ZINC000261364045 549730069 /nfs/dbraw/zinc/73/00/69/549730069.db2.gz ZLWQIJXKURPGDZ-KRWDZBQOSA-O 1 2 366.426 2.167 40 0 FEABLO OCCCNc1nc(Nc2ccccc2Br)cc(C2CC2)[nH+]1 ZINC000328994487 553860850 /nfs/dbraw/zinc/86/08/50/553860850.db2.gz JEMMRRAYWWGXDT-UHFFFAOYSA-N 1 2 363.259 2.498 40 0 FEABLO C[C@H](CO)Nc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccccc2)[nH+]1 ZINC000329052482 553871955 /nfs/dbraw/zinc/87/19/55/553871955.db2.gz VBHQGVSFBZCIIG-CYBMUJFWSA-N 1 2 364.405 2.252 40 0 FEABLO CS(=O)(=O)CC[C@@H]([NH3+])c1nc([C@@H](C2CCCC2)n2cccc2)no1 ZINC000409442317 558691086 /nfs/dbraw/zinc/69/10/86/558691086.db2.gz UQLRYFBQHOTXSW-ZIAGYGMSSA-N 1 2 352.460 2.085 40 0 FEABLO O=C(NCC1CC1)[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2c[nH+]cn21 ZINC000575405516 570637735 /nfs/dbraw/zinc/63/77/35/570637735.db2.gz IRHOZCVHRZTKPN-SFHVURJKSA-N 1 2 363.421 2.088 40 0 FEABLO OCCCNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(C2CC2)[nH+]1 ZINC000329069391 571132791 /nfs/dbraw/zinc/13/27/91/571132791.db2.gz YWQIEWMECJATGN-UHFFFAOYSA-N 1 2 369.469 2.729 40 0 FEABLO Cc1cncc(C[N@@H+]2Cc3ccnn3CC[C@@H]2COc2ccccn2)n1 ZINC000585096774 571221171 /nfs/dbraw/zinc/22/11/71/571221171.db2.gz CQDAFTLZROKGPO-GOSISDBHSA-N 1 2 350.426 2.230 40 0 FEABLO Cc1cncc(C[N@H+]2Cc3ccnn3CC[C@@H]2COc2ccccn2)n1 ZINC000585096774 571221174 /nfs/dbraw/zinc/22/11/74/571221174.db2.gz CQDAFTLZROKGPO-GOSISDBHSA-N 1 2 350.426 2.230 40 0 FEABLO CO[C@H]1CCN(C(=O)c2nc3c(o2)CC[N@H+](Cc2ccccc2C)C3)C1 ZINC000585112592 571226329 /nfs/dbraw/zinc/22/63/29/571226329.db2.gz RQFVKXRKIBCMSV-INIZCTEOSA-N 1 2 355.438 2.402 40 0 FEABLO CO[C@H]1CCN(C(=O)c2nc3c(o2)CC[N@@H+](Cc2ccccc2C)C3)C1 ZINC000585112592 571226332 /nfs/dbraw/zinc/22/63/32/571226332.db2.gz RQFVKXRKIBCMSV-INIZCTEOSA-N 1 2 355.438 2.402 40 0 FEABLO COCc1ccccc1-c1c[nH+]c2n1CCN(C(=O)[C@H]1CCOC1)CC2 ZINC000585111162 571226789 /nfs/dbraw/zinc/22/67/89/571226789.db2.gz HHKHEEXSXAVTEQ-INIZCTEOSA-N 1 2 355.438 2.118 40 0 FEABLO Cc1nc(N2CC[C@H](c3c4nccnc4sc3C(=O)N(C)C)C2)cc[nH+]1 ZINC000585180125 571238134 /nfs/dbraw/zinc/23/81/34/571238134.db2.gz FXNFZQZSOPSPIX-LBPRGKRZSA-N 1 2 368.466 2.485 40 0 FEABLO O=C(CN1c2ccccc2C2=[NH+]CCCN2C1=O)NCCc1ccccc1 ZINC000012142794 539546089 /nfs/dbraw/zinc/54/60/89/539546089.db2.gz YLCVMPNBLDLESE-UHFFFAOYSA-N 1 2 362.433 2.438 40 0 FEABLO Cc1[nH+]c([C@H]2CCCN(C(=O)[C@@H](C)Cn3cncn3)C2)c2sccn12 ZINC000019240726 539653128 /nfs/dbraw/zinc/65/31/28/539653128.db2.gz VZFYAWDPJGQWDT-JSGCOSHPSA-N 1 2 358.471 2.338 40 0 FEABLO CSc1ncc(C(=O)N2C[C@@H](C[NH+]3CCOCC3)c3ccccc32)cn1 ZINC000019574083 539662370 /nfs/dbraw/zinc/66/23/70/539662370.db2.gz USTYXKBBRCPLCK-OAHLLOKOSA-N 1 2 370.478 2.275 40 0 FEABLO CC(=O)N1CCc2nnc([C@H]3CCC[N@@H+]3Cc3ccccc3F)n2CC1 ZINC000019706363 539666712 /nfs/dbraw/zinc/66/67/12/539666712.db2.gz HQFKYPBKJDSSHX-QGZVFWFLSA-N 1 2 357.433 2.159 40 0 FEABLO CC(=O)N1CCc2nnc([C@H]3CCC[N@H+]3Cc3ccccc3F)n2CC1 ZINC000019706363 539666713 /nfs/dbraw/zinc/66/67/13/539666713.db2.gz HQFKYPBKJDSSHX-QGZVFWFLSA-N 1 2 357.433 2.159 40 0 FEABLO CCn1c(C)[nH+]c2cc(NC(=O)c3cnc(N4CCOCC4)nc3)ccc21 ZINC000019657088 539664277 /nfs/dbraw/zinc/66/42/77/539664277.db2.gz XYORNNALRXUABS-UHFFFAOYSA-N 1 2 366.425 2.244 40 0 FEABLO CNc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)ccn1 ZINC000019662577 539664701 /nfs/dbraw/zinc/66/47/01/539664701.db2.gz UVRRTJVQTXMEKE-SFHVURJKSA-N 1 2 354.454 2.235 40 0 FEABLO O=C(c1ccc(F)c(F)c1)N1Cc2c[nH+]cn2[C@H](COc2ncccn2)C1 ZINC000247873596 209919017 /nfs/dbraw/zinc/91/90/17/209919017.db2.gz MRGWFKLDFBQSRW-AWEZNQCLSA-N 1 2 371.347 2.227 40 0 FEABLO COc1cccc(C[N@@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)c1F ZINC000100769184 209217763 /nfs/dbraw/zinc/21/77/63/209217763.db2.gz HMWABPZJYNNSRA-UHFFFAOYSA-N 1 2 356.401 2.492 40 0 FEABLO COc1cccc(C[N@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)c1F ZINC000100769184 209217765 /nfs/dbraw/zinc/21/77/65/209217765.db2.gz HMWABPZJYNNSRA-UHFFFAOYSA-N 1 2 356.401 2.492 40 0 FEABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000096253420 209144542 /nfs/dbraw/zinc/14/45/42/209144542.db2.gz FATUDOIQBWCHDB-ZIFCJYIRSA-N 1 2 355.438 2.197 40 0 FEABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000096253420 209144544 /nfs/dbraw/zinc/14/45/44/209144544.db2.gz FATUDOIQBWCHDB-ZIFCJYIRSA-N 1 2 355.438 2.197 40 0 FEABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2cn3cc(Cl)ccc3n2)C1 ZINC000096215191 209135899 /nfs/dbraw/zinc/13/58/99/209135899.db2.gz SZSLOQUGURDAHD-LBPRGKRZSA-N 1 2 359.817 2.103 40 0 FEABLO Cn1cc[nH+]c1CN1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 ZINC000096160962 209128260 /nfs/dbraw/zinc/12/82/60/209128260.db2.gz QDOGGNRVVFQCRF-YLJYHZDGSA-N 1 2 356.470 2.403 40 0 FEABLO OCCNc1nc(NCc2ccc(Cl)cc2)cc(-c2cccnc2)[nH+]1 ZINC000328966216 206724582 /nfs/dbraw/zinc/72/45/82/206724582.db2.gz CIWRUDMODWCTBT-UHFFFAOYSA-N 1 2 355.829 2.052 40 0 FEABLO O=C(c1cccnc1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000096061697 209104011 /nfs/dbraw/zinc/10/40/11/209104011.db2.gz RFNCWBFRCGNYAJ-UXHICEINSA-N 1 2 351.450 2.240 40 0 FEABLO Cc1nc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@H]3C2)cs1 ZINC000096041043 209097432 /nfs/dbraw/zinc/09/74/32/209097432.db2.gz BVVCKDMAJRPAFL-JQFCIGGWSA-N 1 2 358.467 2.465 40 0 FEABLO Cc1nc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@H]3C2)cs1 ZINC000096041043 209097435 /nfs/dbraw/zinc/09/74/35/209097435.db2.gz BVVCKDMAJRPAFL-JQFCIGGWSA-N 1 2 358.467 2.465 40 0 FEABLO COc1ccc(OCc2n[nH]c([C@@H]([NH3+])c3ccc(OC)c(OC)c3)n2)cc1 ZINC000095533833 542983253 /nfs/dbraw/zinc/98/32/53/542983253.db2.gz JHWXTMXMMUQSEY-SFHVURJKSA-N 1 2 370.409 2.458 40 0 FEABLO O=S1(=O)CC[C@@H](COc2ccccn2)C12C[NH+](CC1CCCC1)C2 ZINC000247349416 549323458 /nfs/dbraw/zinc/32/34/58/549323458.db2.gz VRWKAIITRSVQSO-INIZCTEOSA-N 1 2 350.484 2.140 40 0 FEABLO C[NH+](C)Cc1cccc([C@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)n1 ZINC000257242969 549721026 /nfs/dbraw/zinc/72/10/26/549721026.db2.gz IEYVESLIAYXUOH-GOSISDBHSA-N 1 2 350.426 2.392 40 0 FEABLO C[N@H+](CC(=O)N1C[C@H]2[C@H](CC[C@@H]2Oc2cccnc2)C1)Cc1ccccn1 ZINC000257318626 549727728 /nfs/dbraw/zinc/72/77/28/549727728.db2.gz VOSZRLCEQFHAMR-UXPWSPDFSA-N 1 2 366.465 2.224 40 0 FEABLO C[N@@H+](CC(=O)N1C[C@H]2[C@H](CC[C@@H]2Oc2cccnc2)C1)Cc1ccccn1 ZINC000257318626 549727731 /nfs/dbraw/zinc/72/77/31/549727731.db2.gz VOSZRLCEQFHAMR-UXPWSPDFSA-N 1 2 366.465 2.224 40 0 FEABLO C[N@@H+]1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)c3ccoc3)CC2)C1 ZINC000306128763 553749018 /nfs/dbraw/zinc/74/90/18/553749018.db2.gz HJYBSDGEWGOTAT-UHFFFAOYSA-N 1 2 367.409 2.208 40 0 FEABLO C[N@H+]1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)c3ccoc3)CC2)C1 ZINC000306128763 553749020 /nfs/dbraw/zinc/74/90/20/553749020.db2.gz HJYBSDGEWGOTAT-UHFFFAOYSA-N 1 2 367.409 2.208 40 0 FEABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCOCC(=O)N3CCCC3)C2)o1 ZINC000306138943 553750342 /nfs/dbraw/zinc/75/03/42/553750342.db2.gz SLHPFEZYGCVLGX-SFHVURJKSA-N 1 2 372.469 2.371 40 0 FEABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCOCC(=O)N3CCCC3)C2)o1 ZINC000306138943 553750343 /nfs/dbraw/zinc/75/03/43/553750343.db2.gz SLHPFEZYGCVLGX-SFHVURJKSA-N 1 2 372.469 2.371 40 0 FEABLO CO[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@]12C[C@H](c1ccccc1)CO2 ZINC000585288384 570496687 /nfs/dbraw/zinc/49/66/87/570496687.db2.gz YQGGZRADNDQSGX-CXWTVFLASA-N 1 2 353.422 2.223 40 0 FEABLO C[C@@H]1c2[nH+]cc(CCOc3ccccn3)n2CCN1Cc1cnn(C)c1 ZINC000585098277 571220811 /nfs/dbraw/zinc/22/08/11/571220811.db2.gz SVRTVTKLKMDVOG-OAHLLOKOSA-N 1 2 352.442 2.210 40 0 FEABLO CCn1c(SC)nnc1C1CC[NH+](CC(=O)NCc2ccco2)CC1 ZINC000005001361 539399702 /nfs/dbraw/zinc/39/97/02/539399702.db2.gz QUGBYRYIXTXCJO-UHFFFAOYSA-N 1 2 363.487 2.109 40 0 FEABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H](c2ccnc(C)n2)C1 ZINC000257338675 210002309 /nfs/dbraw/zinc/00/23/09/210002309.db2.gz YYLOLBDMWGYMFH-SFHVURJKSA-N 1 2 351.410 2.043 40 0 FEABLO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)nc1 ZINC000257264789 209982340 /nfs/dbraw/zinc/98/23/40/209982340.db2.gz LWAKHNXLHHKHCU-SFHVURJKSA-N 1 2 350.426 2.392 40 0 FEABLO COC(=O)[C@@H]1Cc2[nH+]cn(C(C)C)c2CN1C(=O)c1ccc(OC)cc1 ZINC000015676514 539621899 /nfs/dbraw/zinc/62/18/99/539621899.db2.gz MZUNWHCJIJZQBN-INIZCTEOSA-N 1 2 357.410 2.213 40 0 biogenic,in-vitro FEABLO Cn1c2ccccc2nc1N1CCC[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000019289978 539654665 /nfs/dbraw/zinc/65/46/65/539654665.db2.gz KUAYJQIPFSJUBZ-INIZCTEOSA-N 1 2 366.469 2.193 40 0 FEABLO COC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000026455891 539787198 /nfs/dbraw/zinc/78/71/98/539787198.db2.gz RAJUCPPXTNDBFL-SFHVURJKSA-N 1 2 373.453 2.352 40 0 FEABLO NC(=O)C1CC[NH+]([C@@H](c2nnnn2C2CCCC2)c2ccccc2)CC1 ZINC000057669641 540806360 /nfs/dbraw/zinc/80/63/60/540806360.db2.gz RNIASRUMZWVDCT-QGZVFWFLSA-N 1 2 354.458 2.075 40 0 FEABLO O=C(c1ccc2[nH]cnc2c1)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000049031228 209334504 /nfs/dbraw/zinc/33/45/04/209334504.db2.gz CHOBYWAPAQRADZ-MRXNPFEDSA-N 1 2 356.451 2.116 40 0 FEABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)CC1 ZINC000104346234 209261531 /nfs/dbraw/zinc/26/15/31/209261531.db2.gz DICQBIGGYYCSMA-KRWDZBQOSA-N 1 2 358.438 2.210 40 0 FEABLO COc1cccc([C@@H](NC(=O)c2ccncc2)c2[nH+]ccn2C)c1OC ZINC000012221714 219969465 /nfs/dbraw/zinc/96/94/65/219969465.db2.gz BWALWCOEOAWKDP-MRXNPFEDSA-N 1 2 352.394 2.352 40 0 FEABLO COc1cc(C)ccc1C[N@@H+]1CCC[C@@H]1c1nnc2n1CCN(C(C)=O)C2 ZINC000072373876 541802036 /nfs/dbraw/zinc/80/20/36/541802036.db2.gz XMCWFOTVPZHVBU-QGZVFWFLSA-N 1 2 369.469 2.294 40 0 FEABLO COc1cc(C)ccc1C[N@H+]1CCC[C@@H]1c1nnc2n1CCN(C(C)=O)C2 ZINC000072373876 541802039 /nfs/dbraw/zinc/80/20/39/541802039.db2.gz XMCWFOTVPZHVBU-QGZVFWFLSA-N 1 2 369.469 2.294 40 0 FEABLO Cc1ccc(CNC(=O)[C@@H]2c3c([nH+]cn3C)CCN2Cc2cccnc2)o1 ZINC000096264951 209147740 /nfs/dbraw/zinc/14/77/40/209147740.db2.gz PJPDDNDGLBXFSH-IBGZPJMESA-N 1 2 365.437 2.132 40 0 FEABLO COc1ncc(C2(O)CC[NH+](Cc3cc(F)ccc3F)CC2)c(OC)n1 ZINC000012186358 207344694 /nfs/dbraw/zinc/34/46/94/207344694.db2.gz RQWMROGJTHDTMU-UHFFFAOYSA-N 1 2 365.380 2.256 40 0 FEABLO Cc1ccc(N2C[C@@]3(COCC[N@H+](Cc4ccccn4)C3)OCC2=O)s1 ZINC000096051467 209101866 /nfs/dbraw/zinc/10/18/66/209101866.db2.gz RJFCYSAPNNJTPW-IBGZPJMESA-N 1 2 373.478 2.086 40 0 FEABLO Cc1ccc(N2C[C@@]3(COCC[N@@H+](Cc4ccccn4)C3)OCC2=O)s1 ZINC000096051467 209101869 /nfs/dbraw/zinc/10/18/69/209101869.db2.gz RJFCYSAPNNJTPW-IBGZPJMESA-N 1 2 373.478 2.086 40 0 FEABLO O=C1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1cccc(F)c1 ZINC000004622736 136151792 /nfs/dbraw/zinc/15/17/92/136151792.db2.gz VOBSDLZDGLAKPQ-GOSISDBHSA-N 1 2 371.387 2.419 40 0 FEABLO C[N@@H+]1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000020464023 524011949 /nfs/dbraw/zinc/01/19/49/524011949.db2.gz MYCPNZCEADGJTP-ZFWWWQNUSA-N 1 2 365.397 2.094 40 0 biogenic,in-vitro FEABLO C[N@H+]1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000020464023 524011953 /nfs/dbraw/zinc/01/19/53/524011953.db2.gz MYCPNZCEADGJTP-ZFWWWQNUSA-N 1 2 365.397 2.094 40 0 biogenic,in-vitro FEABLO COc1ccccc1OCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000224344864 548728809 /nfs/dbraw/zinc/72/88/09/548728809.db2.gz WVTOFJNHSRMQFA-UHFFFAOYSA-N 1 2 370.449 2.336 40 0 FEABLO COc1ncccc1CN1Cc2c[nH+]cn2[C@H](COCC2CCOCC2)C1 ZINC000247825287 549385640 /nfs/dbraw/zinc/38/56/40/549385640.db2.gz FLYSRIOZVZKQAG-IBGZPJMESA-N 1 2 372.469 2.287 40 0 FEABLO COCC(=O)NCC[C@@H]1CCOC12C[NH+](Cc1ccccc1Cl)C2 ZINC000247859597 549386587 /nfs/dbraw/zinc/38/65/87/549386587.db2.gz VSAMZUBRIIAWAR-OAHLLOKOSA-N 1 2 352.862 2.084 40 0 FEABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@H](C(=O)NCc3cccnc3)C2)no1 ZINC000247896218 549390658 /nfs/dbraw/zinc/39/06/58/549390658.db2.gz HFNBKNURJMDEJC-QGZVFWFLSA-N 1 2 365.437 2.128 40 0 FEABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@H](C(=O)NCc3cccnc3)C2)no1 ZINC000247896218 549390659 /nfs/dbraw/zinc/39/06/59/549390659.db2.gz HFNBKNURJMDEJC-QGZVFWFLSA-N 1 2 365.437 2.128 40 0 FEABLO Cc1nc(C(=O)N2Cc3c[nH+]cn3[C@@H](COc3ncccc3F)C2)cs1 ZINC000248041569 549402209 /nfs/dbraw/zinc/40/22/09/549402209.db2.gz OZUCRKBWIHEBQV-CYBMUJFWSA-N 1 2 373.413 2.458 40 0 FEABLO Cc1ccc(C[N@H+]2Cc3cncn3[C@H](COCC(=O)N3CCCC3)C2)s1 ZINC000248107568 549406777 /nfs/dbraw/zinc/40/67/77/549406777.db2.gz PSCOIOJPPDERPS-KRWDZBQOSA-N 1 2 374.510 2.449 40 0 FEABLO Cc1ccc(C[N@@H+]2Cc3cncn3[C@H](COCC(=O)N3CCCC3)C2)s1 ZINC000248107568 549406782 /nfs/dbraw/zinc/40/67/82/549406782.db2.gz PSCOIOJPPDERPS-KRWDZBQOSA-N 1 2 374.510 2.449 40 0 FEABLO Cc1ccc(CN2Cc3c[nH+]cn3[C@H](COCC(=O)N3CCCC3)C2)s1 ZINC000248107568 549406788 /nfs/dbraw/zinc/40/67/88/549406788.db2.gz PSCOIOJPPDERPS-KRWDZBQOSA-N 1 2 374.510 2.449 40 0 FEABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1C1CCN(C(C)=O)CC1 ZINC000257218536 549718868 /nfs/dbraw/zinc/71/88/68/549718868.db2.gz DDMGVQUHYUHTKY-GOSISDBHSA-N 1 2 354.454 2.460 40 0 FEABLO Cc1cc(CC[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)ncn1 ZINC000257314079 549727688 /nfs/dbraw/zinc/72/76/88/549727688.db2.gz UVEVUKLOKAQONI-GOSISDBHSA-N 1 2 355.438 2.390 40 0 FEABLO Cc1cc(CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)ncn1 ZINC000257314079 549727690 /nfs/dbraw/zinc/72/76/90/549727690.db2.gz UVEVUKLOKAQONI-GOSISDBHSA-N 1 2 355.438 2.390 40 0 FEABLO Cn1cc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccoc4)ccc2S3(=O)=O)cn1 ZINC000306137944 553750240 /nfs/dbraw/zinc/75/02/40/553750240.db2.gz RKNQIDSOFXLOGS-MJGOQNOKSA-N 1 2 369.446 2.435 40 0 FEABLO Cn1cc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccoc4)ccc2S3(=O)=O)cn1 ZINC000306137944 553750243 /nfs/dbraw/zinc/75/02/43/553750243.db2.gz RKNQIDSOFXLOGS-MJGOQNOKSA-N 1 2 369.446 2.435 40 0 FEABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCOCC(=O)N3CCCC3)C2)o1 ZINC000306138942 553750554 /nfs/dbraw/zinc/75/05/54/553750554.db2.gz SLHPFEZYGCVLGX-GOSISDBHSA-N 1 2 372.469 2.371 40 0 FEABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCOCC(=O)N3CCCC3)C2)o1 ZINC000306138942 553750556 /nfs/dbraw/zinc/75/05/56/553750556.db2.gz SLHPFEZYGCVLGX-GOSISDBHSA-N 1 2 372.469 2.371 40 0 FEABLO O=C(Cc1cccc(F)c1)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306142218 553751492 /nfs/dbraw/zinc/75/14/92/553751492.db2.gz WTPMXYUYKMZXHY-CGTJXYLNSA-N 1 2 355.413 2.349 40 0 FEABLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 ZINC000019344330 539655698 /nfs/dbraw/zinc/65/56/98/539655698.db2.gz IYGLRGNEABOHFA-CYBMUJFWSA-N 1 2 369.450 2.101 40 0 FEABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(O)cc2)C3)C[C@H](C)O1 ZINC000019497592 539658485 /nfs/dbraw/zinc/65/84/85/539658485.db2.gz IUHFVSSZAQESPK-OKILXGFUSA-N 1 2 370.453 2.060 40 0 FEABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(O)cc2)C3)C[C@H](C)O1 ZINC000019497592 539658488 /nfs/dbraw/zinc/65/84/88/539658488.db2.gz IUHFVSSZAQESPK-OKILXGFUSA-N 1 2 370.453 2.060 40 0 FEABLO Cc1[nH+]c([C@H]2CCCN(C(=O)CCCn3cncn3)C2)c2sccn12 ZINC000019240738 539653684 /nfs/dbraw/zinc/65/36/84/539653684.db2.gz DPYAQWHXGIWLJU-AWEZNQCLSA-N 1 2 358.471 2.482 40 0 FEABLO COc1cccc(C(=O)N2CCc3nnc([C@H]4CCCC[N@@H+]4C)n3CC2)c1 ZINC000019706167 539666375 /nfs/dbraw/zinc/66/63/75/539666375.db2.gz DBEDDZFJUFAQQY-QGZVFWFLSA-N 1 2 369.469 2.142 40 0 FEABLO COc1cccc(C(=O)N2CCc3nnc([C@H]4CCCC[N@H+]4C)n3CC2)c1 ZINC000019706167 539666378 /nfs/dbraw/zinc/66/63/78/539666378.db2.gz DBEDDZFJUFAQQY-QGZVFWFLSA-N 1 2 369.469 2.142 40 0 FEABLO COC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000026455887 539787675 /nfs/dbraw/zinc/78/76/75/539787675.db2.gz RAJUCPPXTNDBFL-GOSISDBHSA-N 1 2 373.453 2.352 40 0 FEABLO CCC(C)(C)n1nnnc1[C@H](c1ccccc1F)[NH+]1CCC(C(N)=O)CC1 ZINC000057669963 540806385 /nfs/dbraw/zinc/80/63/85/540806385.db2.gz RGZFSAORPGMRNU-INIZCTEOSA-N 1 2 374.464 2.244 40 0 FEABLO Nc1cc(-c2cncnc2[C@@H]2CN(C(=O)c3ccccc3)CCO2)cc[nH+]1 ZINC000072370835 541801899 /nfs/dbraw/zinc/80/18/99/541801899.db2.gz QNAZWXSAYCUBLT-KRWDZBQOSA-N 1 2 361.405 2.335 40 0 FEABLO O=C(N[C@H]1CCO[C@]2(CC[N@H+](Cc3nccs3)C2)C1)c1cccnc1 ZINC000096205941 209134370 /nfs/dbraw/zinc/13/43/70/209134370.db2.gz KEBLGAMDFLOUAQ-MAUKXSAKSA-N 1 2 358.467 2.092 40 0 FEABLO O=C(N[C@H]1CCO[C@]2(CC[N@@H+](Cc3nccs3)C2)C1)c1cccnc1 ZINC000096205941 209134374 /nfs/dbraw/zinc/13/43/74/209134374.db2.gz KEBLGAMDFLOUAQ-MAUKXSAKSA-N 1 2 358.467 2.092 40 0 FEABLO C[NH+]1CCN(C(=O)c2nc3c(s2)CCCN3Cc2ccccc2)CC1 ZINC000096146835 209122402 /nfs/dbraw/zinc/12/24/02/209122402.db2.gz PRRWIIXXKNEDGE-UHFFFAOYSA-N 1 2 356.495 2.484 40 0 FEABLO Cc1cc(C)cc(C(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)c1 ZINC000096084712 209109978 /nfs/dbraw/zinc/10/99/78/209109978.db2.gz KJFKGJWYCMYIHK-UHFFFAOYSA-N 1 2 350.426 2.186 40 0 FEABLO CCc1[nH+]c2cc(NC(=O)Cc3c(C)nc(OC)nc3OC)ccc2n1C ZINC000012116904 207338985 /nfs/dbraw/zinc/33/89/85/207338985.db2.gz LSWAVQCRYLYIOH-UHFFFAOYSA-N 1 2 369.425 2.433 40 0 FEABLO CC(C)Nc1nc(N2CCOCC2)[nH+]c2c1CN(Cc1ccncc1)CC2 ZINC000096254278 132224274 /nfs/dbraw/zinc/22/42/74/132224274.db2.gz OIZAXKQBTFVWHJ-UHFFFAOYSA-N 1 2 368.485 2.087 40 0 FEABLO CC(C)Nc1nc(N2CCOCC2)nc2c1C[N@H+](Cc1ccncc1)CC2 ZINC000096254278 132224276 /nfs/dbraw/zinc/22/42/76/132224276.db2.gz OIZAXKQBTFVWHJ-UHFFFAOYSA-N 1 2 368.485 2.087 40 0 FEABLO CC(C)Nc1nc(N2CCOCC2)nc2c1C[N@@H+](Cc1ccncc1)CC2 ZINC000096254278 132224277 /nfs/dbraw/zinc/22/42/77/132224277.db2.gz OIZAXKQBTFVWHJ-UHFFFAOYSA-N 1 2 368.485 2.087 40 0 FEABLO CC[C@H](c1nnnn1CCOC)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669981 136129769 /nfs/dbraw/zinc/12/97/69/136129769.db2.gz SNCXJOWIHTWRLA-QGZVFWFLSA-N 1 2 358.490 2.210 40 0 FEABLO CC(C)[N@@H+]1CCc2ncn(C)c2[C@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000096147159 535255022 /nfs/dbraw/zinc/25/50/22/535255022.db2.gz SPAULJPESNWZKN-FQEVSTJZSA-N 1 2 367.497 2.077 40 0 FEABLO CC(C)[N@H+]1CCc2ncn(C)c2[C@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000096147159 535255026 /nfs/dbraw/zinc/25/50/26/535255026.db2.gz SPAULJPESNWZKN-FQEVSTJZSA-N 1 2 367.497 2.077 40 0 FEABLO COCC(=O)NC[C@H]1C[N@H+](Cc2cccc3ccccc32)Cc2ccnn21 ZINC000247855386 549386153 /nfs/dbraw/zinc/38/61/53/549386153.db2.gz TZNKSDVRDUJWDB-IBGZPJMESA-N 1 2 364.449 2.356 40 0 FEABLO COCC(=O)NC[C@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2ccnn21 ZINC000247855386 549386157 /nfs/dbraw/zinc/38/61/57/549386157.db2.gz TZNKSDVRDUJWDB-IBGZPJMESA-N 1 2 364.449 2.356 40 0 FEABLO Cc1cc(CN2Cc3c[nH+]cn3[C@@H](C(=O)NCCc3cccs3)C2)no1 ZINC000247939242 549393073 /nfs/dbraw/zinc/39/30/73/549393073.db2.gz UBDAHAFMNJOSPX-QGZVFWFLSA-N 1 2 371.466 2.157 40 0 FEABLO Fc1cccc(OCCc2cc([C@@H]3CN(Cc4[nH]cc[nH+]4)CCO3)[nH]n2)c1 ZINC000257261046 549721973 /nfs/dbraw/zinc/72/19/73/549721973.db2.gz LFMYXNSPLVAAAR-SFHVURJKSA-N 1 2 371.416 2.467 40 0 FEABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccn1C ZINC000261363931 549730421 /nfs/dbraw/zinc/73/04/21/549730421.db2.gz INVCSRIYICPKLF-QGZVFWFLSA-O 1 2 368.442 2.111 40 0 FEABLO Cc1cnc(C(=O)N[C@@H]2CCCC[C@]23C[N@H+](Cc2ccco2)CCO3)cn1 ZINC000306141465 553751309 /nfs/dbraw/zinc/75/13/09/553751309.db2.gz VWXMRALJQUVWAV-QUCCMNQESA-N 1 2 370.453 2.322 40 0 FEABLO Cc1cnc(C(=O)N[C@@H]2CCCC[C@]23C[N@@H+](Cc2ccco2)CCO3)cn1 ZINC000306141465 553751311 /nfs/dbraw/zinc/75/13/11/553751311.db2.gz VWXMRALJQUVWAV-QUCCMNQESA-N 1 2 370.453 2.322 40 0 FEABLO OCCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000328981958 553858126 /nfs/dbraw/zinc/85/81/26/553858126.db2.gz GXCFUWWLXKZOMO-UHFFFAOYSA-N 1 2 354.332 2.244 40 0 FEABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccccn2)cc(-c2ccncc2)[nH+]1 ZINC000329028544 553866994 /nfs/dbraw/zinc/86/69/94/553866994.db2.gz PVOSBQCXUIVMNS-GOSISDBHSA-N 1 2 364.453 2.975 40 0 FEABLO OCCNc1nc(Nc2ccc(Br)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329035427 553868542 /nfs/dbraw/zinc/86/85/42/553868542.db2.gz REOIMJUCKHEDDW-UHFFFAOYSA-N 1 2 367.222 2.247 40 0 FEABLO C[C@@]1(O)CC[N@H+](Cc2cncnc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000604383051 568287371 /nfs/dbraw/zinc/28/73/71/568287371.db2.gz AOSZFNZGINDLCY-IRFCIJBXSA-N 1 2 366.465 2.069 40 0 biogenic,in-vitro FEABLO C[C@@]1(O)CC[N@@H+](Cc2cncnc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000604383051 568287372 /nfs/dbraw/zinc/28/73/72/568287372.db2.gz AOSZFNZGINDLCY-IRFCIJBXSA-N 1 2 366.465 2.069 40 0 biogenic,in-vitro FEABLO CN(C)C(=O)COCC[C@@H]1Cn2cccc2C[N@H+](Cc2nccs2)C1 ZINC000585095095 571219824 /nfs/dbraw/zinc/21/98/24/571219824.db2.gz FMIWJCIWKGOUES-HNNXBMFYSA-N 1 2 362.499 2.072 40 0 FEABLO CN(C)C(=O)COCC[C@@H]1Cn2cccc2C[N@@H+](Cc2nccs2)C1 ZINC000585095095 571219827 /nfs/dbraw/zinc/21/98/27/571219827.db2.gz FMIWJCIWKGOUES-HNNXBMFYSA-N 1 2 362.499 2.072 40 0 FEABLO C[C@@H]1c2ncc(CCOc3cc[nH+]cc3)n2CCN1C(=O)c1cocn1 ZINC000585097970 571220843 /nfs/dbraw/zinc/22/08/43/571220843.db2.gz PVQXCKQGJVRONC-CYBMUJFWSA-N 1 2 353.382 2.105 40 0 FEABLO C[C@H]1c2[nH+]cc(CCOCc3ccncc3)n2CCN1Cc1cn[nH]c1 ZINC000585096794 571221155 /nfs/dbraw/zinc/22/11/55/571221155.db2.gz AUTVHROVHUICQO-HNNXBMFYSA-N 1 2 352.442 2.337 40 0 FEABLO CCS(=O)(=O)NCC[C@@H]1C[N@H+](Cc2ccccc2C)Cc2ccnn21 ZINC000585112927 571226396 /nfs/dbraw/zinc/22/63/96/571226396.db2.gz YUPCCEINOWSZDY-GOSISDBHSA-N 1 2 362.499 2.078 40 0 FEABLO CCS(=O)(=O)NCC[C@@H]1C[N@@H+](Cc2ccccc2C)Cc2ccnn21 ZINC000585112927 571226398 /nfs/dbraw/zinc/22/63/98/571226398.db2.gz YUPCCEINOWSZDY-GOSISDBHSA-N 1 2 362.499 2.078 40 0 FEABLO C[C@@H](CO)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329048484 210134002 /nfs/dbraw/zinc/13/40/02/210134002.db2.gz UKZDBCXHDDKDBD-LBPRGKRZSA-N 1 2 371.391 2.065 40 0 FEABLO COc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NCCO)n1 ZINC000328966508 210128046 /nfs/dbraw/zinc/12/80/46/210128046.db2.gz CLTJHZDFYZDJKY-UHFFFAOYSA-N 1 2 350.422 2.012 40 0 FEABLO Cc1nc2c(c(N3CCC(C(N)=O)CC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000019286180 539653520 /nfs/dbraw/zinc/65/35/20/539653520.db2.gz OOXKNMNJXHHMLC-UHFFFAOYSA-N 1 2 365.481 2.045 40 0 FEABLO Cc1nc2c(c(N3CCC(C(N)=O)CC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000019286180 539653523 /nfs/dbraw/zinc/65/35/23/539653523.db2.gz OOXKNMNJXHHMLC-UHFFFAOYSA-N 1 2 365.481 2.045 40 0 FEABLO Cc1c(C(=O)N2CC[NH+](C)CC2)cnc2c(-c3ccc(F)cc3)cnn21 ZINC000038829603 540000978 /nfs/dbraw/zinc/00/09/78/540000978.db2.gz YJRMVHMTSOKKOW-UHFFFAOYSA-N 1 2 353.401 2.231 40 0 FEABLO c1cc(C[N@H+]2CCC[C@H](Cc3cc(Nc4nncs4)ncn3)C2)n[nH]1 ZINC000257243787 223035089 /nfs/dbraw/zinc/03/50/89/223035089.db2.gz IINZGOFLKHBUSO-GFCCVEGCSA-N 1 2 356.459 2.250 40 0 FEABLO c1cc(C[N@@H+]2CCC[C@H](Cc3cc(Nc4nncs4)ncn3)C2)n[nH]1 ZINC000257243787 223035091 /nfs/dbraw/zinc/03/50/91/223035091.db2.gz IINZGOFLKHBUSO-GFCCVEGCSA-N 1 2 356.459 2.250 40 0 FEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)[nH+]1 ZINC000257249256 223037517 /nfs/dbraw/zinc/03/75/17/223037517.db2.gz JHMRAKMLOISQRK-CQSZACIVSA-N 1 2 354.410 2.193 40 0 FEABLO Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000257336997 223070354 /nfs/dbraw/zinc/07/03/54/223070354.db2.gz YQXVSPRDAGHDDM-OAHLLOKOSA-N 1 2 366.425 2.036 40 0 FEABLO Fc1ccccc1OCCc1cc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)[nH]n1 ZINC000257343708 223073070 /nfs/dbraw/zinc/07/30/70/223073070.db2.gz ZUCOBRXMHXLCHM-SFHVURJKSA-N 1 2 371.416 2.467 40 0 FEABLO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)[nH]n1)N1CCOCC1 ZINC000072380525 541803123 /nfs/dbraw/zinc/80/31/23/541803123.db2.gz TWCRDULNNKDWPE-MRXNPFEDSA-N 1 2 372.444 2.401 40 0 FEABLO O=C(c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)[nH]n1)N1CCOCC1 ZINC000072380525 541803127 /nfs/dbraw/zinc/80/31/27/541803127.db2.gz TWCRDULNNKDWPE-MRXNPFEDSA-N 1 2 372.444 2.401 40 0 FEABLO O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@H+](Cc2ccncc2)C1 ZINC000015674990 220159742 /nfs/dbraw/zinc/15/97/42/220159742.db2.gz PDGDQRALERIHAG-CABCVRRESA-N 1 2 366.377 2.168 40 0 biogenic,in-vitro FEABLO O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@@H+](Cc2ccncc2)C1 ZINC000015674990 220159745 /nfs/dbraw/zinc/15/97/45/220159745.db2.gz PDGDQRALERIHAG-CABCVRRESA-N 1 2 366.377 2.168 40 0 biogenic,in-vitro FEABLO CCc1ccc(CCOc2ccc(C[C@@H]3S[C@H]([NH3+])NC3=O)cc2)nc1 ZINC000075629368 542193083 /nfs/dbraw/zinc/19/30/83/542193083.db2.gz YGJNWQBRZQDIPS-PKOBYXMFSA-N 1 2 357.479 2.282 40 0 FEABLO C=Cn1cc(C[N@@H+]2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)c(C)n1 ZINC000019584186 211239050 /nfs/dbraw/zinc/23/90/50/211239050.db2.gz GSTLAHMNKYZHRM-HNNXBMFYSA-N 1 2 360.483 2.470 40 0 FEABLO C=Cn1cc(C[N@H+]2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)c(C)n1 ZINC000019584186 211239053 /nfs/dbraw/zinc/23/90/53/211239053.db2.gz GSTLAHMNKYZHRM-HNNXBMFYSA-N 1 2 360.483 2.470 40 0 FEABLO C[C@H](CC(=O)N1CCC[C@@]2(C1)CNC(=O)c1ccccc1O2)n1cc[nH+]c1 ZINC000019455275 211224019 /nfs/dbraw/zinc/22/40/19/211224019.db2.gz UFXHMFGXZVQPKL-QRWLVFNGSA-N 1 2 368.437 2.018 40 0 FEABLO CC(C)(C)C(=O)[C@@H]([C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019365924 211219531 /nfs/dbraw/zinc/21/95/31/211219531.db2.gz QZUIQRACPQHJJM-RTBURBONSA-N 1 2 360.498 2.376 40 0 in-vitro FEABLO Cc1[nH+]c(C2CCN(C(=O)[C@@H](C)Cn3cncn3)CC2)c2sccn12 ZINC000019240795 211212627 /nfs/dbraw/zinc/21/26/27/211212627.db2.gz DGJIGGGFJKHBPO-LBPRGKRZSA-N 1 2 358.471 2.338 40 0 FEABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000257252896 533467947 /nfs/dbraw/zinc/46/79/47/533467947.db2.gz JWORNGYKUQTJSM-HNNXBMFYSA-N 1 2 359.451 2.079 40 0 FEABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000257252896 533467949 /nfs/dbraw/zinc/46/79/49/533467949.db2.gz JWORNGYKUQTJSM-HNNXBMFYSA-N 1 2 359.451 2.079 40 0 FEABLO COCCn1nnnc1[C@@H](C(C)C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057613871 136129620 /nfs/dbraw/zinc/12/96/20/136129620.db2.gz YFFIAVCPVRREGE-LJQANCHMSA-N 1 2 372.517 2.456 40 0 FEABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccs2)C3)C[C@H](C)O1 ZINC000072335448 136144374 /nfs/dbraw/zinc/14/43/74/136144374.db2.gz MSYXQYXYEJABPD-BETUJISGSA-N 1 2 360.483 2.416 40 0 FEABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccs2)C3)C[C@H](C)O1 ZINC000072335448 136144375 /nfs/dbraw/zinc/14/43/75/136144375.db2.gz MSYXQYXYEJABPD-BETUJISGSA-N 1 2 360.483 2.416 40 0 FEABLO Cc1csc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@@H]3C2)n1 ZINC000096043073 542988253 /nfs/dbraw/zinc/98/82/53/542988253.db2.gz CFWZMWRJKUXDJA-CWRNSKLLSA-N 1 2 358.467 2.465 40 0 FEABLO Cc1csc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@@H]3C2)n1 ZINC000096043073 542988256 /nfs/dbraw/zinc/98/82/56/542988256.db2.gz CFWZMWRJKUXDJA-CWRNSKLLSA-N 1 2 358.467 2.465 40 0 FEABLO Cc1nc2cc([C@@H]3CCCN(C(=O)CCn4cc[nH+]c4)C3)[nH]n2c(=O)c1C ZINC000100137732 222237027 /nfs/dbraw/zinc/23/70/27/222237027.db2.gz KETRCTKPIXLCIQ-OAHLLOKOSA-N 1 2 368.441 2.045 40 0 FEABLO COc1cccc(C[N@@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)c1OC ZINC000100775075 222252763 /nfs/dbraw/zinc/25/27/63/222252763.db2.gz SYFWBQFEROMLEN-UHFFFAOYSA-N 1 2 368.437 2.361 40 0 FEABLO COc1cccc(C[N@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)c1OC ZINC000100775075 222252765 /nfs/dbraw/zinc/25/27/65/222252765.db2.gz SYFWBQFEROMLEN-UHFFFAOYSA-N 1 2 368.437 2.361 40 0 FEABLO O=C1CCCN1C[C@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247856106 549386303 /nfs/dbraw/zinc/38/63/03/549386303.db2.gz JSEYVPRJFSNNPY-LJQANCHMSA-N 1 2 354.454 2.079 40 0 FEABLO O=C1CCCN1C[C@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247856106 549386308 /nfs/dbraw/zinc/38/63/08/549386308.db2.gz JSEYVPRJFSNNPY-LJQANCHMSA-N 1 2 354.454 2.079 40 0 FEABLO Cc1cccc(CO[C@H]2CCOC3(CN(c4cc(N(C)C)[nH+]cn4)C3)C2)n1 ZINC000248141193 549410507 /nfs/dbraw/zinc/41/05/07/549410507.db2.gz TZRBXQWYADTCCI-KRWDZBQOSA-N 1 2 369.469 2.201 40 0 FEABLO Cc1cccc(CO[C@H]2CCOC3(CN(c4cc(N(C)C)nc[nH+]4)C3)C2)n1 ZINC000248141193 549410510 /nfs/dbraw/zinc/41/05/10/549410510.db2.gz TZRBXQWYADTCCI-KRWDZBQOSA-N 1 2 369.469 2.201 40 0 FEABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccn1C ZINC000261363930 549730452 /nfs/dbraw/zinc/73/04/52/549730452.db2.gz INVCSRIYICPKLF-KRWDZBQOSA-O 1 2 368.442 2.111 40 0 FEABLO OCCNc1nc(NCc2cccc(Cl)c2)cc(-c2cccnc2)[nH+]1 ZINC000329061315 553873349 /nfs/dbraw/zinc/87/33/49/553873349.db2.gz WRJWSJKOAZHSAG-UHFFFAOYSA-N 1 2 355.829 2.052 40 0 FEABLO CCS(=O)(=O)NCC[C@H]1C[N@H+](Cc2ccc(C)s2)Cc2ccnn21 ZINC000585112357 571226066 /nfs/dbraw/zinc/22/60/66/571226066.db2.gz NZXAUQBJICTBBC-HNNXBMFYSA-N 1 2 368.528 2.139 40 0 FEABLO CCS(=O)(=O)NCC[C@H]1C[N@@H+](Cc2ccc(C)s2)Cc2ccnn21 ZINC000585112357 571226068 /nfs/dbraw/zinc/22/60/68/571226068.db2.gz NZXAUQBJICTBBC-HNNXBMFYSA-N 1 2 368.528 2.139 40 0 FEABLO CSc1ncc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cn1 ZINC000012122230 539544776 /nfs/dbraw/zinc/54/47/76/539544776.db2.gz DHOSWURYKKBDEQ-UHFFFAOYSA-N 1 2 366.450 2.314 40 0 FEABLO CSc1ncc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cn1 ZINC000012122230 539544781 /nfs/dbraw/zinc/54/47/81/539544781.db2.gz DHOSWURYKKBDEQ-UHFFFAOYSA-N 1 2 366.450 2.314 40 0 FEABLO CN(C)C(=O)NC[C@H]1CN(Cc2ccc3ccccc3n2)Cc2c[nH+]cn21 ZINC000306134335 210052679 /nfs/dbraw/zinc/05/26/79/210052679.db2.gz NJJCZBYPJIAKIN-SFHVURJKSA-N 1 2 364.453 2.259 40 0 FEABLO O=C1C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(F)c(F)c1 ZINC000020798844 539677757 /nfs/dbraw/zinc/67/77/57/539677757.db2.gz SBRROHCUXMEHGV-GOSISDBHSA-N 1 2 371.387 2.419 40 0 FEABLO O=C(C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccccc1C(F)(F)F ZINC000257272347 223045220 /nfs/dbraw/zinc/04/52/20/223045220.db2.gz NCBOBFCOROAOEK-HOCLYGCPSA-N 1 2 358.360 2.260 40 0 FEABLO O=C(C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccccc1C(F)(F)F ZINC000257272347 223045223 /nfs/dbraw/zinc/04/52/23/223045223.db2.gz NCBOBFCOROAOEK-HOCLYGCPSA-N 1 2 358.360 2.260 40 0 FEABLO COc1ccccc1[C@@H]1Cn2c(C)c[nH+]c2CN1C(=O)c1cnn(C)c1 ZINC000257275527 223046704 /nfs/dbraw/zinc/04/67/04/223046704.db2.gz NPTXQKXMVORQJC-INIZCTEOSA-N 1 2 351.410 2.331 40 0 FEABLO O=C(COc1ccccc1)N1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350589 541801217 /nfs/dbraw/zinc/80/12/17/541801217.db2.gz DUOJGMJHWNCPRJ-INIZCTEOSA-N 1 2 363.421 2.447 40 0 FEABLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000024378710 211404992 /nfs/dbraw/zinc/40/49/92/211404992.db2.gz FSZDVVSSBXSMHO-UHFFFAOYSA-N 1 2 368.433 2.220 40 0 FEABLO O=S(=O)(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)OCCO2 ZINC000020035225 211266136 /nfs/dbraw/zinc/26/61/36/211266136.db2.gz JNVWIQBJLQIHOJ-UHFFFAOYSA-N 1 2 371.418 2.122 40 0 FEABLO C[C@H](CC(=O)N1CCC[C@]2(C1)CNC(=O)c1ccccc1O2)n1cc[nH+]c1 ZINC000019455271 211223696 /nfs/dbraw/zinc/22/36/96/211223696.db2.gz UFXHMFGXZVQPKL-FOIQADDNSA-N 1 2 368.437 2.018 40 0 FEABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1ccc(F)cc1 ZINC000019291208 211210869 /nfs/dbraw/zinc/21/08/69/211210869.db2.gz COHRLYXSFJFRQE-KRWDZBQOSA-N 1 2 366.396 2.256 40 0 FEABLO COCc1cc(C)nc2nc(-c3c(COC)cc(C)[nH+]c3N)nc(N)c12 ZINC000019418386 211220902 /nfs/dbraw/zinc/22/09/02/211220902.db2.gz HLQYLLGUSYGWAL-UHFFFAOYSA-N 1 2 354.414 2.161 40 0 FEABLO CCn1cc(C[NH+]2CCN(C(=O)c3cc(CC(C)C)nn3C)CC2)c(C)n1 ZINC000019524575 220266935 /nfs/dbraw/zinc/26/69/35/220266935.db2.gz JDUVMDMGTNQNNY-UHFFFAOYSA-N 1 2 372.517 2.101 40 0 FEABLO COCCOc1cc(-c2noc([C@@H]3CCCN3Cc3[nH]cc[nH+]3)n2)ccn1 ZINC000035424833 210689758 /nfs/dbraw/zinc/68/97/58/210689758.db2.gz GCOOAZRHWCWMKI-AWEZNQCLSA-N 1 2 370.413 2.217 40 0 biogenic,in-vitro FEABLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C[C@]12CCCO2 ZINC000257204487 533471794 /nfs/dbraw/zinc/47/17/94/533471794.db2.gz AUVOHRPLIQOFHU-RHSMWYFYSA-N 1 2 356.369 2.106 40 0 FEABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C[C@]12CCCO2 ZINC000257204487 533471799 /nfs/dbraw/zinc/47/17/99/533471799.db2.gz AUVOHRPLIQOFHU-RHSMWYFYSA-N 1 2 356.369 2.106 40 0 FEABLO Cc1cc(N2CCOCC2)nc(SCC(=O)OCc2ccccc2)[nH+]1 ZINC000002710319 132383912 /nfs/dbraw/zinc/38/39/12/132383912.db2.gz DVBVSRHNHAUFRF-UHFFFAOYSA-N 1 2 359.451 2.457 40 0 FEABLO O=C(NC[C@H]1CCC2(C[NH+](Cc3ccccc3F)C2)OC1)c1ccno1 ZINC000247464426 549338094 /nfs/dbraw/zinc/33/80/94/549338094.db2.gz CCLMXFWNQHLILU-CQSZACIVSA-N 1 2 359.401 2.225 40 0 FEABLO Cc1ccc(N2C[C@@]3(COCCN(c4cccc[nH+]4)C3)OCC2=O)s1 ZINC000096078357 222013949 /nfs/dbraw/zinc/01/39/49/222013949.db2.gz SUBYFRWZUXFXQK-SFHVURJKSA-N 1 2 359.451 2.090 40 0 FEABLO CNC(=O)c1cc2c([nH+]c1NCC(C)C)CCN(c1ncc(C)cn1)CC2 ZINC000096100694 222022022 /nfs/dbraw/zinc/02/20/22/222022022.db2.gz AKDBUDBNICZINE-UHFFFAOYSA-N 1 2 368.485 2.213 40 0 FEABLO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)Nc4cccnc4)[C@@H](C2)O3)cc1 ZINC000096253337 222101486 /nfs/dbraw/zinc/10/14/86/222101486.db2.gz VOTBOYYEHXFIFG-CEXWTWQISA-N 1 2 353.422 2.318 40 0 FEABLO COc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)Nc4cccnc4)[C@@H](C2)O3)cc1 ZINC000096253337 222101488 /nfs/dbraw/zinc/10/14/88/222101488.db2.gz VOTBOYYEHXFIFG-CEXWTWQISA-N 1 2 353.422 2.318 40 0 FEABLO Cc1cncc(C(=O)N2CCc3[nH+]c(NC(C)C)nc(N(C)C)c3C2)c1 ZINC000096254048 222101672 /nfs/dbraw/zinc/10/16/72/222101672.db2.gz WGHQZTQXSKKTNX-UHFFFAOYSA-N 1 2 354.458 2.265 40 0 FEABLO COc1ccc(C(=O)N2CCCn3nnc(C[NH+]4CCCCC4)c3C2)cc1 ZINC000096259583 222103316 /nfs/dbraw/zinc/10/33/16/222103316.db2.gz OZLGWSAKRMRYDF-UHFFFAOYSA-N 1 2 369.469 2.319 40 0 FEABLO O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257302838 534390815 /nfs/dbraw/zinc/39/08/15/534390815.db2.gz SERHDWZOOBXIHG-HNNXBMFYSA-N 1 2 354.414 2.165 40 0 FEABLO CC(=O)NCc1c[nH+]c([C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)[nH]1 ZINC000257220210 526815531 /nfs/dbraw/zinc/81/55/31/526815531.db2.gz DKAGETQQVVFSCY-LLVKDONJSA-N 1 2 353.348 2.454 40 0 FEABLO CC(=O)NCc1c[nH]c([C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)[nH+]1 ZINC000257220210 526815535 /nfs/dbraw/zinc/81/55/35/526815535.db2.gz DKAGETQQVVFSCY-LLVKDONJSA-N 1 2 353.348 2.454 40 0 FEABLO COc1ccc(F)cc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000223712547 548723402 /nfs/dbraw/zinc/72/34/02/548723402.db2.gz ZXIHFWNLYUGLTL-UHFFFAOYSA-N 1 2 361.398 2.499 40 0 FEABLO O=C(NCCOCc1ccccc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000224344944 548728489 /nfs/dbraw/zinc/72/84/89/548728489.db2.gz RVSLIYCZRNDOGY-UHFFFAOYSA-N 1 2 354.450 2.465 40 0 FEABLO CN(C)C(=O)CO[C@H]1CCOC2(C[NH+](Cc3cccc(Cl)c3)C2)C1 ZINC000247959644 549394622 /nfs/dbraw/zinc/39/46/22/549394622.db2.gz DXPZZSWMLDRKEV-INIZCTEOSA-N 1 2 352.862 2.178 40 0 FEABLO COc1ccccc1C[NH+]1CC2(C1)C[C@H](OCC(=O)N1CCCC1)CCO2 ZINC000248122452 549408507 /nfs/dbraw/zinc/40/85/07/549408507.db2.gz FVVZCRHUBJUVNG-GOSISDBHSA-N 1 2 374.481 2.068 40 0 FEABLO c1cnc(O[C@H]2CCOC3(C[NH+](Cc4ccc5c(c4)OCO5)C3)C2)nc1 ZINC000248331471 549419920 /nfs/dbraw/zinc/41/99/20/549419920.db2.gz HGBZAQFTWNLQJZ-HNNXBMFYSA-N 1 2 355.394 2.018 40 0 FEABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccccc3CC)C2=O)C1 ZINC000250263530 549640627 /nfs/dbraw/zinc/64/06/27/549640627.db2.gz FQQHFOVURRVTII-WBVHZDCISA-N 1 2 358.438 2.156 40 0 FEABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccccc3CC)C2=O)C1 ZINC000250263530 549640632 /nfs/dbraw/zinc/64/06/32/549640632.db2.gz FQQHFOVURRVTII-WBVHZDCISA-N 1 2 358.438 2.156 40 0 FEABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2COCc2ccccn2)no1 ZINC000585094561 571219518 /nfs/dbraw/zinc/21/95/18/571219518.db2.gz BEQJURZTZNAYMY-KRWDZBQOSA-N 1 2 353.426 2.255 40 0 FEABLO C[C@H]1c2[nH+]cc(CCOCc3cccnc3)n2CCN1Cc1cn[nH]c1 ZINC000585096792 571221143 /nfs/dbraw/zinc/22/11/43/571221143.db2.gz AUHDABIYNAILTK-HNNXBMFYSA-N 1 2 352.442 2.337 40 0 FEABLO C[C@H]1c2ncc(CCOCc3cccnc3)n2CC[N@H+]1Cc1cn[nH]c1 ZINC000585096792 571221146 /nfs/dbraw/zinc/22/11/46/571221146.db2.gz AUHDABIYNAILTK-HNNXBMFYSA-N 1 2 352.442 2.337 40 0 FEABLO C[C@H]1c2ncc(CCOCc3cccnc3)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585096792 571221149 /nfs/dbraw/zinc/22/11/49/571221149.db2.gz AUHDABIYNAILTK-HNNXBMFYSA-N 1 2 352.442 2.337 40 0 FEABLO COCCc1c[nH+]c2n1CCN(C(=O)c1nn(C)c3ccccc31)[C@H]2C ZINC000585098634 571221491 /nfs/dbraw/zinc/22/14/91/571221491.db2.gz VWPGGKJCDUPFMF-ZDUSSCGKSA-N 1 2 353.426 2.176 40 0 FEABLO Cn1c[nH+]cc1-c1cccc(C[C@H]2CCN(C(=O)C3CCOCC3)C2)n1 ZINC000585179640 571237976 /nfs/dbraw/zinc/23/79/76/571237976.db2.gz WXRRWUPXMBRGOY-OAHLLOKOSA-N 1 2 354.454 2.300 40 0 FEABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(O)cc2)C3)C1 ZINC000012182664 539548535 /nfs/dbraw/zinc/54/85/35/539548535.db2.gz PJODSEPHYJNNCZ-AWEZNQCLSA-N 1 2 354.454 2.270 40 0 FEABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(O)cc2)C3)C1 ZINC000012182664 539548540 /nfs/dbraw/zinc/54/85/40/539548540.db2.gz PJODSEPHYJNNCZ-AWEZNQCLSA-N 1 2 354.454 2.270 40 0 FEABLO COc1ccc(CN2CCc3c(N)nc(N4CCCC4)[nH+]c3C2)c(OC)c1 ZINC000012222590 539550315 /nfs/dbraw/zinc/55/03/15/539550315.db2.gz OYMGUFWPKDONEA-UHFFFAOYSA-N 1 2 369.469 2.235 40 0 FEABLO COc1ccc(C[N@@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)c(OC)c1 ZINC000012222590 539550320 /nfs/dbraw/zinc/55/03/20/539550320.db2.gz OYMGUFWPKDONEA-UHFFFAOYSA-N 1 2 369.469 2.235 40 0 FEABLO COc1ccc(C[N@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)c(OC)c1 ZINC000012222590 539550324 /nfs/dbraw/zinc/55/03/24/539550324.db2.gz OYMGUFWPKDONEA-UHFFFAOYSA-N 1 2 369.469 2.235 40 0 FEABLO Cc1cccc(C[NH+]2CC3(C2)CC[C@H](CNC(=O)N2CCCC2)CO3)n1 ZINC000306132662 210053526 /nfs/dbraw/zinc/05/35/26/210053526.db2.gz LOORHFROKRUBRO-QGZVFWFLSA-N 1 2 358.486 2.176 40 0 FEABLO Cc1ncsc1C[NH+]1CC2(C1)CC[C@@H](CNC(=O)N1CCCC1)CO2 ZINC000306124535 210049175 /nfs/dbraw/zinc/04/91/75/210049175.db2.gz BTDDQGLAUVGZMX-HNNXBMFYSA-N 1 2 364.515 2.238 40 0 FEABLO COc1ccc(-n2c(C)nc3c(cnn3C[NH+]3CCCCC3)c2=O)cc1 ZINC000031771912 539918852 /nfs/dbraw/zinc/91/88/52/539918852.db2.gz ZJUMRXHNQWOJOL-UHFFFAOYSA-N 1 2 353.426 2.343 40 0 FEABLO O=C1C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1cccc(F)c1 ZINC000036633944 539992268 /nfs/dbraw/zinc/99/22/68/539992268.db2.gz YKNMGHPFYVQIRA-GOSISDBHSA-N 1 2 353.397 2.280 40 0 FEABLO CS(=O)(=O)N1CCc2cc(C(=O)C[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000036740437 539993532 /nfs/dbraw/zinc/99/35/32/539993532.db2.gz QQGUMVOYQXJZHN-UHFFFAOYSA-N 1 2 370.474 2.250 40 0 FEABLO CS(=O)(=O)N1CCc2cc(C(=O)C[N@H+]3CCc4ccccc4C3)ccc21 ZINC000036740437 539993536 /nfs/dbraw/zinc/99/35/36/539993536.db2.gz QQGUMVOYQXJZHN-UHFFFAOYSA-N 1 2 370.474 2.250 40 0 FEABLO CN(CCOc1ccc(C[C@H]2SC(=N)NC2=O)cc1)c1cccc[nH+]1 ZINC000038339130 539998190 /nfs/dbraw/zinc/99/81/90/539998190.db2.gz VQDBYZBZMGVIOT-OAHLLOKOSA-N 1 2 356.451 2.306 40 0 FEABLO CN(C(=O)c1nc2cc(Cl)ccc2n1C)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257295634 223055167 /nfs/dbraw/zinc/05/51/67/223055167.db2.gz QZFJNEBYOYURFG-BZUAXINKSA-N 1 2 373.844 2.260 40 0 FEABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1C(=O)c1cn(C)nc1C ZINC000257341073 223072315 /nfs/dbraw/zinc/07/23/15/223072315.db2.gz ZISVMHSHTIBHEV-INIZCTEOSA-N 1 2 351.410 2.331 40 0 FEABLO Cc1cc(Br)c(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1C ZINC000072414520 541808325 /nfs/dbraw/zinc/80/83/25/541808325.db2.gz GEWWLTRJFWXDEC-UHFFFAOYSA-N 1 2 361.305 2.310 40 0 FEABLO O=C(c1ccco1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccncc2)no1 ZINC000015675897 220160766 /nfs/dbraw/zinc/16/07/66/220160766.db2.gz MJGYUCBACJBWKM-AWEZNQCLSA-N 1 2 362.349 2.388 40 0 biogenic,in-vitro FEABLO O=C(c1ccco1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccncc2)no1 ZINC000015675897 220160770 /nfs/dbraw/zinc/16/07/70/220160770.db2.gz MJGYUCBACJBWKM-AWEZNQCLSA-N 1 2 362.349 2.388 40 0 biogenic,in-vitro FEABLO Cc1cc2[nH+]cn(CCC(=O)Nc3nc(CC(N)=O)cs3)c2cc1C ZINC000019661143 211241908 /nfs/dbraw/zinc/24/19/08/211241908.db2.gz JMYKKRIVVXDWOI-UHFFFAOYSA-N 1 2 357.439 2.166 40 0 FEABLO CC(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)n[nH]1 ZINC000019451881 211223342 /nfs/dbraw/zinc/22/33/42/211223342.db2.gz RDTSOZJZWSAPLZ-HNNXBMFYSA-N 1 2 354.458 2.336 40 0 FEABLO CC(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](Cc2cccc(C)n2)C3)CC1 ZINC000019236310 211208766 /nfs/dbraw/zinc/20/87/66/211208766.db2.gz OFHJPYNHSBIQDL-UHFFFAOYSA-N 1 2 365.481 2.464 40 0 FEABLO CC(=O)N1CCC(c2ncc3c(n2)CC[N@H+](Cc2cccc(C)n2)C3)CC1 ZINC000019236310 211208770 /nfs/dbraw/zinc/20/87/70/211208770.db2.gz OFHJPYNHSBIQDL-UHFFFAOYSA-N 1 2 365.481 2.464 40 0 FEABLO C[C@H](C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1)[NH+]1CCOCC1 ZINC000019078219 211201994 /nfs/dbraw/zinc/20/19/94/211201994.db2.gz HMOWVXJCARTLMR-CVEARBPZSA-N 1 2 350.434 2.164 40 0 FEABLO CNc1cc([C@H]2CCCN2C(=O)c2cc(-c3cnn(C)c3)on2)cc[nH+]1 ZINC000257232864 533055016 /nfs/dbraw/zinc/05/50/16/533055016.db2.gz GMSVJSXEVKCXDE-OAHLLOKOSA-N 1 2 352.398 2.489 40 0 FEABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000020150507 220316108 /nfs/dbraw/zinc/31/61/08/220316108.db2.gz JMAYTTKKIKIUGQ-LWGWVAHUSA-N 1 2 364.467 2.116 40 0 FEABLO CO[C@H]1CCCOC12CCN(C(=O)c1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000257240176 533234834 /nfs/dbraw/zinc/23/48/34/533234834.db2.gz HSLJNNUCTLECQV-INIZCTEOSA-N 1 2 356.426 2.068 40 0 FEABLO CN(C)C(=O)c1cnn2c1nccc2C1CCN(c2cccc[nH+]2)CC1 ZINC000257300430 132296695 /nfs/dbraw/zinc/29/66/95/132296695.db2.gz RUFGLPUVFSNGAP-UHFFFAOYSA-N 1 2 350.426 2.210 40 0 FEABLO CC(C)[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670380 136130016 /nfs/dbraw/zinc/13/00/16/136130016.db2.gz AEGZEFHWBRJXEF-MOPGFXCFSA-N 1 2 370.501 2.371 40 0 FEABLO Cc1ccc(N2C[C@]3(COCC[N@H+](Cc4ccccn4)C3)OCC2=O)s1 ZINC000096051466 222000972 /nfs/dbraw/zinc/00/09/72/222000972.db2.gz RJFCYSAPNNJTPW-LJQANCHMSA-N 1 2 373.478 2.086 40 0 FEABLO Cc1ccc(N2C[C@]3(COCC[N@@H+](Cc4ccccn4)C3)OCC2=O)s1 ZINC000096051466 222000975 /nfs/dbraw/zinc/00/09/75/222000975.db2.gz RJFCYSAPNNJTPW-LJQANCHMSA-N 1 2 373.478 2.086 40 0 FEABLO Cc1ccc(N2C[C@]3(COCCN(c4cccc[nH+]4)C3)OCC2=O)s1 ZINC000096078356 222014213 /nfs/dbraw/zinc/01/42/13/222014213.db2.gz SUBYFRWZUXFXQK-GOSISDBHSA-N 1 2 359.451 2.090 40 0 FEABLO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096226075 222088570 /nfs/dbraw/zinc/08/85/70/222088570.db2.gz JQVRBDDKFUQTRW-HXUWFJFHSA-N 1 2 368.412 2.258 40 0 FEABLO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096226075 222088572 /nfs/dbraw/zinc/08/85/72/222088572.db2.gz JQVRBDDKFUQTRW-HXUWFJFHSA-N 1 2 368.412 2.258 40 0 FEABLO O=C(NCc1cccnc1)[C@@H]1CN(Cc2cccc(F)c2)Cc2c[nH+]cn21 ZINC000247525379 549350274 /nfs/dbraw/zinc/35/02/74/549350274.db2.gz ZDGZFWNHBKICND-IBGZPJMESA-N 1 2 365.412 2.291 40 0 FEABLO O=C(CCCN1c2cccc3cccc(c23)C1=O)NCC[NH+]1CCOCC1 ZINC000219464729 548695131 /nfs/dbraw/zinc/69/51/31/548695131.db2.gz YTGYTIDXXZKDHS-UHFFFAOYSA-N 1 2 367.449 2.029 40 0 FEABLO O=C(C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2)N1CCCCCC1 ZINC000012183473 539548487 /nfs/dbraw/zinc/54/84/87/539548487.db2.gz UCQFBLOXRFSAAE-UHFFFAOYSA-N 1 2 357.454 2.004 40 0 FEABLO O=S(=O)(c1ccc(F)cc1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000054992140 210068950 /nfs/dbraw/zinc/06/89/50/210068950.db2.gz ROEQYFNGGNZIJR-UHFFFAOYSA-N 1 2 360.454 2.299 40 0 FEABLO O=C(NCC[C@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)c1cnccn1 ZINC000306143424 210058357 /nfs/dbraw/zinc/05/83/57/210058357.db2.gz YCBBDXBRHOBAQH-AWEZNQCLSA-N 1 2 368.466 2.112 40 0 FEABLO O=C(NCC[C@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)c1cnccn1 ZINC000306143424 210058361 /nfs/dbraw/zinc/05/83/61/210058361.db2.gz YCBBDXBRHOBAQH-AWEZNQCLSA-N 1 2 368.466 2.112 40 0 FEABLO O=C(NC[C@H]1Cn2nccc2C[N@H+](Cc2ccoc2)C1)C1CC(F)(F)C1 ZINC000306138759 210056446 /nfs/dbraw/zinc/05/64/46/210056446.db2.gz SGMMYGMYDXABKJ-CQSZACIVSA-N 1 2 364.396 2.270 40 0 FEABLO O=C(NC[C@H]1Cn2nccc2C[N@@H+](Cc2ccoc2)C1)C1CC(F)(F)C1 ZINC000306138759 210056450 /nfs/dbraw/zinc/05/64/50/210056450.db2.gz SGMMYGMYDXABKJ-CQSZACIVSA-N 1 2 364.396 2.270 40 0 FEABLO CCC(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306135524 210054756 /nfs/dbraw/zinc/05/47/56/210054756.db2.gz OTZWVDZAXPLZRG-JXFKEZNVSA-N 1 2 358.486 2.429 40 0 FEABLO CC(C)N1[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2Oc2ncccc2S1(=O)=O ZINC000306134918 210054457 /nfs/dbraw/zinc/05/44/57/210054457.db2.gz OBPMUUIFUQFPIK-IRXDYDNUSA-N 1 2 373.478 2.126 40 0 FEABLO CC(C)N1[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2Oc2ncccc2S1(=O)=O ZINC000306134918 210054460 /nfs/dbraw/zinc/05/44/60/210054460.db2.gz OBPMUUIFUQFPIK-IRXDYDNUSA-N 1 2 373.478 2.126 40 0 FEABLO CN(C)C(=O)CO[C@@H]1CCOC2(C[NH+](Cc3cccc(Cl)c3)C2)C1 ZINC000247959645 222956189 /nfs/dbraw/zinc/95/61/89/222956189.db2.gz DXPZZSWMLDRKEV-MRXNPFEDSA-N 1 2 352.862 2.178 40 0 FEABLO CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000257233909 223031099 /nfs/dbraw/zinc/03/10/99/223031099.db2.gz GRHPOJMIOIBFOE-AWEZNQCLSA-N 1 2 356.455 2.225 40 0 FEABLO CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCC[N@H+]1Cc1cncs1 ZINC000257233909 223031101 /nfs/dbraw/zinc/03/11/01/223031101.db2.gz GRHPOJMIOIBFOE-AWEZNQCLSA-N 1 2 356.455 2.225 40 0 FEABLO C[C@@H](C(=O)N1CCC(c2nc3ccccc3cc2N)CC1)[NH+]1CCOCC1 ZINC000072341745 541800128 /nfs/dbraw/zinc/80/01/28/541800128.db2.gz SJYUPJKETXLNDO-HNNXBMFYSA-N 1 2 368.481 2.244 40 0 FEABLO O=C(COc1ccccc1)N1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355412 541800968 /nfs/dbraw/zinc/80/09/68/541800968.db2.gz TXPCCCBJXXLQFT-INIZCTEOSA-N 1 2 363.421 2.447 40 0 FEABLO CCCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1OCCC ZINC000072414195 541808056 /nfs/dbraw/zinc/80/80/56/541808056.db2.gz SKSYPNRWDYIPJW-UHFFFAOYSA-N 1 2 356.488 2.200 40 0 FEABLO Cc1ccc(Nc2ncc(C(=O)N[C@H](C)C[NH+]3CCOCC3)c(C)n2)cc1 ZINC000019714492 211246462 /nfs/dbraw/zinc/24/64/62/211246462.db2.gz ZCWLFGFGSRQIIR-OAHLLOKOSA-N 1 2 369.469 2.288 40 0 FEABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1cccc3nccnc13)C2 ZINC000019402340 211220535 /nfs/dbraw/zinc/22/05/35/211220535.db2.gz KFIWFOFVXHUSNV-UHFFFAOYSA-N 1 2 370.416 2.333 40 0 FEABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1cccc3nccnc13)C2 ZINC000019402340 211220539 /nfs/dbraw/zinc/22/05/39/211220539.db2.gz KFIWFOFVXHUSNV-UHFFFAOYSA-N 1 2 370.416 2.333 40 0 FEABLO COc1ccc(C)cc1C[N@@H+]1CCc2c(nc(-c3cnccn3)[nH]c2=O)C1 ZINC000019133572 211203092 /nfs/dbraw/zinc/20/30/92/211203092.db2.gz FVZTXXQZENWNRT-UHFFFAOYSA-N 1 2 363.421 2.102 40 0 FEABLO COc1ccc(C)cc1C[N@H+]1CCc2c(nc(-c3cnccn3)[nH]c2=O)C1 ZINC000019133572 211203096 /nfs/dbraw/zinc/20/30/96/211203096.db2.gz FVZTXXQZENWNRT-UHFFFAOYSA-N 1 2 363.421 2.102 40 0 FEABLO COc1ccc(NC(=O)NC2(C(=O)N3CC[NH+](C)CC3)CCCCC2)cc1 ZINC000019589696 220277686 /nfs/dbraw/zinc/27/76/86/220277686.db2.gz RFGWYMUPCGDOCW-UHFFFAOYSA-N 1 2 374.485 2.294 40 0 FEABLO COc1ccc(CN2C[C@H]3C[N@H+](Cc4ccccn4)CCN3C2=O)cc1 ZINC000077266728 542361070 /nfs/dbraw/zinc/36/10/70/542361070.db2.gz HQSDTQRXFHSBSA-GOSISDBHSA-N 1 2 352.438 2.212 40 0 biogenic,in-vitro FEABLO COc1ccc(CN2C[C@H]3C[N@@H+](Cc4ccccn4)CCN3C2=O)cc1 ZINC000077266728 542361073 /nfs/dbraw/zinc/36/10/73/542361073.db2.gz HQSDTQRXFHSBSA-GOSISDBHSA-N 1 2 352.438 2.212 40 0 biogenic,in-vitro FEABLO Cc1nc(N2CCC[C@H](c3cccc(C(=O)N4CCOCC4)n3)C2)cc[nH+]1 ZINC000257323846 132297204 /nfs/dbraw/zinc/29/72/04/132297204.db2.gz WMBFIPAQTPATCK-INIZCTEOSA-N 1 2 367.453 2.036 40 0 FEABLO CCn1nc(C)cc1C(=O)N1Cc2[nH+]cn(C)c2[C@@H](COCC(C)C)C1 ZINC000096044859 542988846 /nfs/dbraw/zinc/98/88/46/542988846.db2.gz ZFMAJMGEVBMTEX-OAHLLOKOSA-N 1 2 359.474 2.357 40 0 FEABLO Cc1nnc(N2Cc3[nH+]cn(C)c3[C@@H](COCc3cccnc3)C2)s1 ZINC000096045029 542988970 /nfs/dbraw/zinc/98/89/70/542988970.db2.gz IEFPWNJJHJLCOM-CQSZACIVSA-N 1 2 356.455 2.296 40 0 FEABLO Cc1nc(CN2CCOC[C@@]3(C[N@H+](Cc4ccco4)CCO3)C2)cs1 ZINC000096049804 222001419 /nfs/dbraw/zinc/00/14/19/222001419.db2.gz YVWPNLVJLLFZGK-SFHVURJKSA-N 1 2 363.483 2.148 40 0 FEABLO Cc1nc(CN2CCOC[C@@]3(C[N@@H+](Cc4ccco4)CCO3)C2)cs1 ZINC000096049804 222001425 /nfs/dbraw/zinc/00/14/25/222001425.db2.gz YVWPNLVJLLFZGK-SFHVURJKSA-N 1 2 363.483 2.148 40 0 FEABLO O=C(c1ccsc1)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC000096230221 222092048 /nfs/dbraw/zinc/09/20/48/222092048.db2.gz XSYWLAKMSIOROG-UHFFFAOYSA-N 1 2 369.490 2.355 40 0 FEABLO O=C(c1ccsc1)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC000096230221 222092052 /nfs/dbraw/zinc/09/20/52/222092052.db2.gz XSYWLAKMSIOROG-UHFFFAOYSA-N 1 2 369.490 2.355 40 0 FEABLO COCCc1ncc(C[NH2+][C@@H](c2cc(=O)n3[nH]c(C)cc3n2)C(C)C)cn1 ZINC000100217731 222239850 /nfs/dbraw/zinc/23/98/50/222239850.db2.gz ZXSSMHGOEKDNAU-LJQANCHMSA-N 1 2 370.457 2.209 40 0 FEABLO Cc1nc2ccccc2n1CCC(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257337380 534678084 /nfs/dbraw/zinc/67/80/84/534678084.db2.gz YSOHWJPKGNJLLD-OALUTQOASA-N 1 2 367.453 2.156 40 0 FEABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](Cc2cc(Nc3cnccn3)ncn2)C1 ZINC000257296699 534853493 /nfs/dbraw/zinc/85/34/93/534853493.db2.gz RDZXDIIHBVFMFU-OAHLLOKOSA-N 1 2 364.457 2.496 40 0 FEABLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](Cc2cc(Nc3cnccn3)ncn2)C1 ZINC000257296699 534853500 /nfs/dbraw/zinc/85/35/00/534853500.db2.gz RDZXDIIHBVFMFU-OAHLLOKOSA-N 1 2 364.457 2.496 40 0 FEABLO COCC(=O)NCC[C@H]1CCOC12C[NH+](Cc1ccccc1Cl)C2 ZINC000247859594 549386463 /nfs/dbraw/zinc/38/64/63/549386463.db2.gz VSAMZUBRIIAWAR-HNNXBMFYSA-N 1 2 352.862 2.084 40 0 FEABLO Cc1ccc(C[N@H+]2Cc3cncn3[C@@H](COCC(=O)N3CCCC3)C2)s1 ZINC000248107572 549407296 /nfs/dbraw/zinc/40/72/96/549407296.db2.gz PSCOIOJPPDERPS-QGZVFWFLSA-N 1 2 374.510 2.449 40 0 FEABLO Cc1ccc(C[N@@H+]2Cc3cncn3[C@@H](COCC(=O)N3CCCC3)C2)s1 ZINC000248107572 549407298 /nfs/dbraw/zinc/40/72/98/549407298.db2.gz PSCOIOJPPDERPS-QGZVFWFLSA-N 1 2 374.510 2.449 40 0 FEABLO Cc1ccc(CN2Cc3c[nH+]cn3[C@@H](COCC(=O)N3CCCC3)C2)s1 ZINC000248107572 549407301 /nfs/dbraw/zinc/40/73/01/549407301.db2.gz PSCOIOJPPDERPS-QGZVFWFLSA-N 1 2 374.510 2.449 40 0 FEABLO CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCOc2ccccn2)nc[nH+]1 ZINC000248123999 549408296 /nfs/dbraw/zinc/40/82/96/549408296.db2.gz OARRYTQMYRWAMU-HNNXBMFYSA-N 1 2 355.442 2.002 40 0 FEABLO CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCOc2ccccn2)[nH+]cn1 ZINC000248123999 549408299 /nfs/dbraw/zinc/40/82/99/549408299.db2.gz OARRYTQMYRWAMU-HNNXBMFYSA-N 1 2 355.442 2.002 40 0 FEABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@H](OCC(=O)N1CCCC1)CCO2 ZINC000253599718 549697228 /nfs/dbraw/zinc/69/72/28/549697228.db2.gz TWFZSXUIHHFFII-MRXNPFEDSA-N 1 2 364.511 2.429 40 0 FEABLO Cc1ccsc1C[NH+]1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O ZINC000253599949 549697336 /nfs/dbraw/zinc/69/73/36/549697336.db2.gz YWOFDEKZMWBIPJ-OAHLLOKOSA-N 1 2 355.525 2.472 40 0 FEABLO O=C(c1ccc2c(c1)OCO2)N1CCc2[nH+]cc(-c3cccnc3)n2CC1 ZINC000585111251 571226685 /nfs/dbraw/zinc/22/66/85/571226685.db2.gz LGUIRRQWBZLZSX-UHFFFAOYSA-N 1 2 362.389 2.372 40 0 FEABLO CCc1nc2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257339152 529748950 /nfs/dbraw/zinc/74/89/50/529748950.db2.gz ZAKDXAJYYWQBTB-ROUUACIJSA-N 1 2 367.453 2.020 40 0 FEABLO CCn1ncc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c1C ZINC000012122435 539545205 /nfs/dbraw/zinc/54/52/05/539545205.db2.gz KGJULNHHFHSUIZ-UHFFFAOYSA-N 1 2 350.426 2.327 40 0 FEABLO CCn1ncc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c1C ZINC000012122435 539545210 /nfs/dbraw/zinc/54/52/10/539545210.db2.gz KGJULNHHFHSUIZ-UHFFFAOYSA-N 1 2 350.426 2.327 40 0 FEABLO CCOC(=O)c1n[nH]cc1C[NH+]1CCC(O)(c2ccccc2OC)CC1 ZINC000012147635 539546921 /nfs/dbraw/zinc/54/69/21/539546921.db2.gz XILUISYVCRXPAZ-UHFFFAOYSA-N 1 2 359.426 2.079 40 0 FEABLO Cc1ccc(C2(O)CC[NH+](CCNC(=O)c3n[nH]cc3Cl)CC2)cc1 ZINC000012147573 539546982 /nfs/dbraw/zinc/54/69/82/539546982.db2.gz QOQJMJPWFYBIBK-UHFFFAOYSA-N 1 2 362.861 2.085 40 0 FEABLO CC(C)n1cc(C[N@H+]2Cc3ccnn3C[C@@H](CNC(=O)CC3CC3)C2)cn1 ZINC000306134689 210054621 /nfs/dbraw/zinc/05/46/21/210054621.db2.gz NVIYUQSQIQGJLJ-KRWDZBQOSA-N 1 2 370.501 2.209 40 0 FEABLO CC(C)n1cc(C[N@@H+]2Cc3ccnn3C[C@@H](CNC(=O)CC3CC3)C2)cn1 ZINC000306134689 210054625 /nfs/dbraw/zinc/05/46/25/210054625.db2.gz NVIYUQSQIQGJLJ-KRWDZBQOSA-N 1 2 370.501 2.209 40 0 FEABLO Cc1cc(C[N@H+]2Cc3ccnn3C[C@@H](CCNc3ncccn3)C2)no1 ZINC000306124125 210049545 /nfs/dbraw/zinc/04/95/45/210049545.db2.gz BGTFTZHJKLTFMI-HNNXBMFYSA-N 1 2 353.430 2.104 40 0 FEABLO Cc1cc(C[N@@H+]2Cc3ccnn3C[C@@H](CCNc3ncccn3)C2)no1 ZINC000306124125 210049549 /nfs/dbraw/zinc/04/95/49/210049549.db2.gz BGTFTZHJKLTFMI-HNNXBMFYSA-N 1 2 353.430 2.104 40 0 FEABLO c1coc(Cn2c(SCC[NH+]3CCOCC3)nnc2-c2cccnc2)c1 ZINC000035313006 539980681 /nfs/dbraw/zinc/98/06/81/539980681.db2.gz NAVYIDJQAWEFDC-UHFFFAOYSA-N 1 2 371.466 2.406 40 0 FEABLO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000257303125 223058467 /nfs/dbraw/zinc/05/84/67/223058467.db2.gz SFWGXAXHPQLHIZ-ZDUSSCGKSA-N 1 2 371.466 2.295 40 0 FEABLO O=C(c1ccccc1)N1CC[C@H]2CC(=O)N(CCc3c[nH+]c[nH]3)CC[C@H]2C1 ZINC000015672895 220159461 /nfs/dbraw/zinc/15/94/61/220159461.db2.gz SAGREDGNLRXFAI-ROUUACIJSA-N 1 2 366.465 2.353 40 0 biogenic,in-vitro FEABLO O=C(c1ccccc1)N1CC[C@H]2CC(=O)N(CCc3c[nH]c[nH+]3)CC[C@H]2C1 ZINC000015672895 220159464 /nfs/dbraw/zinc/15/94/64/220159464.db2.gz SAGREDGNLRXFAI-ROUUACIJSA-N 1 2 366.465 2.353 40 0 biogenic,in-vitro FEABLO Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCC4)nc(N)c32)c1 ZINC000020800063 211297454 /nfs/dbraw/zinc/29/74/54/211297454.db2.gz LNHOKTFYQPNKNK-ZDUSSCGKSA-N 1 2 366.425 2.032 40 0 FEABLO C=Cn1cc(C[N@@H+]2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)c(C)n1 ZINC000019584183 211238989 /nfs/dbraw/zinc/23/89/89/211238989.db2.gz GSTLAHMNKYZHRM-OAHLLOKOSA-N 1 2 360.483 2.470 40 0 FEABLO C=Cn1cc(C[N@H+]2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)c(C)n1 ZINC000019584183 211238993 /nfs/dbraw/zinc/23/89/93/211238993.db2.gz GSTLAHMNKYZHRM-OAHLLOKOSA-N 1 2 360.483 2.470 40 0 FEABLO Cc1cc(C)n(C)c(=O)c1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000019572244 211236484 /nfs/dbraw/zinc/23/64/84/211236484.db2.gz HGTYQKSLVRJEJR-QGZVFWFLSA-N 1 2 368.412 2.394 40 0 FEABLO CC(C)(C)C(=O)[C@H]([C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019365925 211219484 /nfs/dbraw/zinc/21/94/84/211219484.db2.gz QZUIQRACPQHJJM-MOPGFXCFSA-N 1 2 360.498 2.376 40 0 in-vitro FEABLO COc1cccc(OCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000068395718 221315854 /nfs/dbraw/zinc/31/58/54/221315854.db2.gz RVFGTTPCZPPJAW-UHFFFAOYSA-N 1 2 370.449 2.336 40 0 FEABLO O=C1CO[C@@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1ccco1)C2 ZINC000096051293 132217844 /nfs/dbraw/zinc/21/78/44/132217844.db2.gz ZAEYJJIFURTOBV-IBGZPJMESA-N 1 2 360.385 2.053 40 0 FEABLO O=C1CO[C@@]2(CN1c1ccc(F)cc1)COCC[N@@H+](Cc1ccco1)C2 ZINC000096051293 132217845 /nfs/dbraw/zinc/21/78/45/132217845.db2.gz ZAEYJJIFURTOBV-IBGZPJMESA-N 1 2 360.385 2.053 40 0 FEABLO O=C(NC[C@H]1Cn2nccc2C[N@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000247469505 549338931 /nfs/dbraw/zinc/33/89/31/549338931.db2.gz DXQXAGZLVGMGTB-MRXNPFEDSA-N 1 2 367.478 2.402 40 0 FEABLO O=C(NC[C@H]1Cn2nccc2C[N@@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000247469505 549338934 /nfs/dbraw/zinc/33/89/34/549338934.db2.gz DXQXAGZLVGMGTB-MRXNPFEDSA-N 1 2 367.478 2.402 40 0 FEABLO C[N@@H+](Cc1cn2c(n1)CN(C(=O)c1cccnc1)CC2)Cc1ccco1 ZINC000096059533 222007919 /nfs/dbraw/zinc/00/79/19/222007919.db2.gz IUNWKKQNXQLAMV-UHFFFAOYSA-N 1 2 351.410 2.159 40 0 FEABLO C[N@H+](Cc1cn2c(n1)CN(C(=O)c1cccnc1)CC2)Cc1ccco1 ZINC000096059533 222007923 /nfs/dbraw/zinc/00/79/23/222007923.db2.gz IUNWKKQNXQLAMV-UHFFFAOYSA-N 1 2 351.410 2.159 40 0 FEABLO O=C1CO[C@]2(CN1c1ccoc1)COCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096240189 222095129 /nfs/dbraw/zinc/09/51/29/222095129.db2.gz FVYQZXMEGKNRGI-LJQANCHMSA-N 1 2 360.385 2.053 40 0 FEABLO O=C1CO[C@]2(CN1c1ccoc1)COCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096240189 222095133 /nfs/dbraw/zinc/09/51/33/222095133.db2.gz FVYQZXMEGKNRGI-LJQANCHMSA-N 1 2 360.385 2.053 40 0 FEABLO Cc1cc(C[NH+]2CCC3(CC2)NCCn2c(-c4cccnc4)cnc23)no1 ZINC000096263373 222104269 /nfs/dbraw/zinc/10/42/69/222104269.db2.gz ZBAPUIOOQVKCPQ-UHFFFAOYSA-N 1 2 364.453 2.336 40 0 FEABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@@H](c2ccnc(C)n2)C1 ZINC000257338674 534672640 /nfs/dbraw/zinc/67/26/40/534672640.db2.gz YYLOLBDMWGYMFH-GOSISDBHSA-N 1 2 351.410 2.043 40 0 FEABLO CC(=O)N1CC[N@H+](Cc2ncc[nH]2)C[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257233677 526631655 /nfs/dbraw/zinc/63/16/55/526631655.db2.gz GQEYPNVBTKWIEL-SFHVURJKSA-N 1 2 363.465 2.481 40 0 FEABLO CC(=O)N1CC[N@@H+](Cc2ncc[nH]2)C[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257233677 526631660 /nfs/dbraw/zinc/63/16/60/526631660.db2.gz GQEYPNVBTKWIEL-SFHVURJKSA-N 1 2 363.465 2.481 40 0 FEABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1CC[NH+]1CCOCC1 ZINC000223124997 548716257 /nfs/dbraw/zinc/71/62/57/548716257.db2.gz BRYSDDHTHPJCEF-IAGOWNOFSA-N 1 2 374.535 2.448 40 0 FEABLO CCc1nc2ccc(NC(=S)NCC[NH+]3CCOCC3)cc2s1 ZINC000225208301 548731621 /nfs/dbraw/zinc/73/16/21/548731621.db2.gz GLSCWEYDJYOUST-UHFFFAOYSA-N 1 2 350.513 2.477 40 0 FEABLO COc1cccnc1NC(=S)NCc1ccccc1C[NH+]1CCOCC1 ZINC000225779098 548742745 /nfs/dbraw/zinc/74/27/45/548742745.db2.gz ANPOCBIIGCVZOX-UHFFFAOYSA-N 1 2 372.494 2.409 40 0 FEABLO Cc1cc(F)ccc1C(=O)N1Cc2c[nH+]cn2[C@@H](COc2ncccn2)C1 ZINC000247821053 549385241 /nfs/dbraw/zinc/38/52/41/549385241.db2.gz GLAZSFNJQQXXRH-MRXNPFEDSA-N 1 2 367.384 2.397 40 0 FEABLO COCC(=O)NC[C@@H]1C[N@H+](Cc2cccc3ccccc32)Cc2ccnn21 ZINC000247855392 549386389 /nfs/dbraw/zinc/38/63/89/549386389.db2.gz TZNKSDVRDUJWDB-LJQANCHMSA-N 1 2 364.449 2.356 40 0 FEABLO COCC(=O)NC[C@@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2ccnn21 ZINC000247855392 549386392 /nfs/dbraw/zinc/38/63/92/549386392.db2.gz TZNKSDVRDUJWDB-LJQANCHMSA-N 1 2 364.449 2.356 40 0 FEABLO C[C@H]1c2nc(C(=O)NCc3cccnc3)cn2CC[N@H+]1CC1CCOCC1 ZINC000253592311 549697569 /nfs/dbraw/zinc/69/75/69/549697569.db2.gz UXNAXNACGDWDGO-HNNXBMFYSA-N 1 2 369.469 2.011 40 0 FEABLO C[C@H]1c2nc(C(=O)NCc3cccnc3)cn2CC[N@@H+]1CC1CCOCC1 ZINC000253592311 549697573 /nfs/dbraw/zinc/69/75/73/549697573.db2.gz UXNAXNACGDWDGO-HNNXBMFYSA-N 1 2 369.469 2.011 40 0 FEABLO Cc1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1NC(=O)c1ccccc1 ZINC000408627430 558688401 /nfs/dbraw/zinc/68/84/01/558688401.db2.gz ZOFJILIVUVRGSD-UHFFFAOYSA-N 1 2 373.478 2.183 40 0 FEABLO CO[C@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CC[C@@H]1Cc1ccc(C)cc1 ZINC000585291946 570496641 /nfs/dbraw/zinc/49/66/41/570496641.db2.gz UBCVUJJIPYDFAY-IEOLRMJASA-N 1 2 372.509 2.289 40 0 FEABLO CCS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3cccc(Cl)c3)C2)OC1 ZINC000585105071 571224462 /nfs/dbraw/zinc/22/44/62/571224462.db2.gz OTAGJVQMCPPNFY-OAHLLOKOSA-N 1 2 372.918 2.260 40 0 FEABLO COCc1ccccc1-c1c[nH+]c2n1CCN(C(=O)[C@@H]1CCOC1)CC2 ZINC000585111163 571226753 /nfs/dbraw/zinc/22/67/53/571226753.db2.gz HHKHEEXSXAVTEQ-MRXNPFEDSA-N 1 2 355.438 2.118 40 0 FEABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000231644020 210179612 /nfs/dbraw/zinc/17/96/12/210179612.db2.gz JMAYTTKKIKIUGQ-MMQJMDILSA-N 1 2 364.467 2.116 40 0 FEABLO COc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NCCO)n2)c1 ZINC000329014426 210130509 /nfs/dbraw/zinc/13/05/09/210130509.db2.gz MWQGPSRVWXTAOU-UHFFFAOYSA-N 1 2 350.422 2.012 40 0 FEABLO Cc1cc(C(F)(F)F)nn1C[C@@H](C)c1[nH]n2cnc3nncc-3c2[nH+]1 ZINC000006412857 210088192 /nfs/dbraw/zinc/08/81/92/210088192.db2.gz ZDQQCIVKQFMOAT-SSDOTTSWSA-N 1 2 350.308 2.328 40 0 FEABLO Cc1cc(=O)[nH]c(NC2CC[NH+](CC(=O)Nc3c(C)cccc3C)CC2)n1 ZINC000012113710 539543661 /nfs/dbraw/zinc/54/36/61/539543661.db2.gz TWXGAIGCNSASSP-UHFFFAOYSA-N 1 2 369.469 2.210 40 0 FEABLO COc1ccc([C@H](NC(=O)[C@]2(C)CCCO2)c2[nH+]ccn2C)cc1OC ZINC000012147209 539546903 /nfs/dbraw/zinc/54/69/03/539546903.db2.gz WZNNEEYECHUGEG-LPHOPBHVSA-N 1 2 359.426 2.212 40 0 FEABLO Cc1sc2nc(C3CC3)n(C3CC[NH+](CC(N)=O)CC3)c(=O)c2c1C ZINC000012145316 539546927 /nfs/dbraw/zinc/54/69/27/539546927.db2.gz IOACPOHWHNISMO-UHFFFAOYSA-N 1 2 360.483 2.074 40 0 FEABLO CCn1cc(C[NH+]2CC3(C2)C[C@@H](CCOc2nccc(C)n2)CCO3)cn1 ZINC000306142494 210056960 /nfs/dbraw/zinc/05/69/60/210056960.db2.gz XASWVVAXFBPXQQ-KRWDZBQOSA-N 1 2 371.485 2.452 40 0 FEABLO CC(C)NC(=O)Cc1cn2c(n1)[C@H](C)[N@@H+](Cc1cnn(C(C)C)c1)CC2 ZINC000306135582 210053364 /nfs/dbraw/zinc/05/33/64/210053364.db2.gz OVFATTPQHJNWAM-HNNXBMFYSA-N 1 2 358.490 2.304 40 0 FEABLO CC(C)NC(=O)Cc1cn2c(n1)[C@H](C)[N@H+](Cc1cnn(C(C)C)c1)CC2 ZINC000306135582 210053368 /nfs/dbraw/zinc/05/33/68/210053368.db2.gz OVFATTPQHJNWAM-HNNXBMFYSA-N 1 2 358.490 2.304 40 0 FEABLO O=C(NC1CC(F)(F)C1)[C@@H]1CN(Cc2ccsc2)Cc2c[nH+]cn21 ZINC000306132544 210053514 /nfs/dbraw/zinc/05/35/14/210053514.db2.gz LLSMTICQUOTVMI-AWEZNQCLSA-N 1 2 352.410 2.415 40 0 FEABLO C[C@@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)C[NH+](C)C)C[C@@H]2[C@H](O)/C=C\C(=O)O1 ZINC000034633353 539977108 /nfs/dbraw/zinc/97/71/08/539977108.db2.gz ZZWKZQDOSJAGGF-OUCARUHFSA-N 1 2 365.470 2.075 40 0 in-vitro FEABLO C[NH+](C)Cc1ccnc([C@H]2CCCN2C(=O)c2[nH]nc3ccccc32)n1 ZINC000257247652 223036076 /nfs/dbraw/zinc/03/60/76/223036076.db2.gz IZYJPZQWBVAMNE-MRXNPFEDSA-N 1 2 350.426 2.392 40 0 FEABLO Fc1ccccc1OCCc1cc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)[nH]n1 ZINC000257343707 223073801 /nfs/dbraw/zinc/07/38/01/223073801.db2.gz ZUCOBRXMHXLCHM-GOSISDBHSA-N 1 2 371.416 2.467 40 0 FEABLO O=C(CCn1cc[nH+]c1)N1CCC(c2nnc(-c3ccccn3)o2)CC1 ZINC000019403441 211220293 /nfs/dbraw/zinc/22/02/93/211220293.db2.gz VYHCVOCHLMKIEJ-UHFFFAOYSA-N 1 2 352.398 2.124 40 0 FEABLO Cc1ccnn1C[C@@H](C)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000019238345 211207971 /nfs/dbraw/zinc/20/79/71/211207971.db2.gz IUGKWVYTIVIBGM-MRXNPFEDSA-N 1 2 372.469 2.177 40 0 FEABLO COc1ccc(C[N@@H+]2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)c(OC)c1 ZINC000257242562 533565692 /nfs/dbraw/zinc/56/56/92/533565692.db2.gz IDCZNIVDUMAPND-QGZVFWFLSA-N 1 2 359.426 2.033 40 0 FEABLO COc1ccc(C[N@H+]2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)c(OC)c1 ZINC000257242562 533565701 /nfs/dbraw/zinc/56/57/01/533565701.db2.gz IDCZNIVDUMAPND-QGZVFWFLSA-N 1 2 359.426 2.033 40 0 FEABLO Cc1cccc(N2CCC[C@@H](N(C)C(=O)c3ccc4[nH]nnc4c3)C2)[nH+]1 ZINC000257257709 132295763 /nfs/dbraw/zinc/29/57/63/132295763.db2.gz KQUJBBKPFPOTTJ-OAHLLOKOSA-N 1 2 350.426 2.402 40 0 FEABLO Cc1nc2c(c(N3CCC[C@H](C(N)=O)C3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000072347600 136144874 /nfs/dbraw/zinc/14/48/74/136144874.db2.gz MXUNOZMOQVOFBO-KRWDZBQOSA-N 1 2 365.481 2.045 40 0 FEABLO Cc1nc2c(c(N3CCC[C@H](C(N)=O)C3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000072347600 136144875 /nfs/dbraw/zinc/14/48/75/136144875.db2.gz MXUNOZMOQVOFBO-KRWDZBQOSA-N 1 2 365.481 2.045 40 0 FEABLO O=C(NCC[C@H]1CCOC12C[NH+](Cc1ccccc1F)C2)c1cnccn1 ZINC000247464431 549337208 /nfs/dbraw/zinc/33/72/08/549337208.db2.gz CCNMKZNHFLMTBG-INIZCTEOSA-N 1 2 370.428 2.027 40 0 FEABLO O=C(NC[C@@H]1CCC2(C[NH+](Cc3ccccc3F)C2)OC1)c1ccno1 ZINC000247464421 549337646 /nfs/dbraw/zinc/33/76/46/549337646.db2.gz CCLMXFWNQHLILU-AWEZNQCLSA-N 1 2 359.401 2.225 40 0 FEABLO O=S(=O)(Cc1ccccc1)N1CCCn2cnc(C[NH+]3CCCC3)c2C1 ZINC000096259333 222102836 /nfs/dbraw/zinc/10/28/36/222102836.db2.gz AMEGRLIERJRBLN-UHFFFAOYSA-N 1 2 374.510 2.215 40 0 FEABLO c1cc(C[N@@H+]2CCO[C@@]3(C2)COCCN(Cc2ccncc2)C3)cs1 ZINC000096229439 222091762 /nfs/dbraw/zinc/09/17/62/222091762.db2.gz CJGLNTXTOHWIQP-IBGZPJMESA-N 1 2 359.495 2.247 40 0 FEABLO c1cc(C[N@H+]2CCO[C@@]3(C2)COCCN(Cc2ccncc2)C3)cs1 ZINC000096229439 222091765 /nfs/dbraw/zinc/09/17/65/222091765.db2.gz CJGLNTXTOHWIQP-IBGZPJMESA-N 1 2 359.495 2.247 40 0 FEABLO CCC[NH+]1CCN(C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)CC1 ZINC000020765194 263383161 /nfs/dbraw/zinc/38/31/61/263383161.db2.gz MRKLFJWJEFYYFW-UHFFFAOYSA-N 1 2 359.499 2.426 40 0 FEABLO Cc1ncc(CNC(=O)c2[nH]nc3c2CCCC3)c([C@@H]2CCC[N@H+]2C)n1 ZINC000257199820 534739288 /nfs/dbraw/zinc/73/92/88/534739288.db2.gz AAXQAIPUEZQJOJ-INIZCTEOSA-N 1 2 354.458 2.084 40 0 FEABLO Cc1ncc(CNC(=O)c2[nH]nc3c2CCCC3)c([C@@H]2CCC[N@@H+]2C)n1 ZINC000257199820 534739293 /nfs/dbraw/zinc/73/92/93/534739293.db2.gz AAXQAIPUEZQJOJ-INIZCTEOSA-N 1 2 354.458 2.084 40 0 FEABLO C[N@@H+]1C[C@@H](NC(=O)Cc2ccccc2)C[C@H]1c1nc(-c2ccccn2)no1 ZINC000020464044 524010025 /nfs/dbraw/zinc/01/00/25/524010025.db2.gz NPEKASMVTPZEGE-RDJZCZTQSA-N 1 2 363.421 2.236 40 0 biogenic,in-vitro FEABLO C[N@H+]1C[C@@H](NC(=O)Cc2ccccc2)C[C@H]1c1nc(-c2ccccn2)no1 ZINC000020464044 524010029 /nfs/dbraw/zinc/01/00/29/524010029.db2.gz NPEKASMVTPZEGE-RDJZCZTQSA-N 1 2 363.421 2.236 40 0 biogenic,in-vitro FEABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccco2)N1CCC[NH+]1CCOCC1 ZINC000223167276 548717409 /nfs/dbraw/zinc/71/74/09/548717409.db2.gz SBJJNBOGLWFBNZ-ZWKOTPCHSA-N 1 2 372.494 2.369 40 0 FEABLO O=C(NCCOc1ccc(F)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000223414105 548719185 /nfs/dbraw/zinc/71/91/85/548719185.db2.gz BOVPJGINRFHOQI-UHFFFAOYSA-N 1 2 358.413 2.467 40 0 FEABLO Cc1ccncc1CO[C@H]1CCOC2(CN(c3cc(N(C)C)[nH+]cn3)C2)C1 ZINC000248153310 549412008 /nfs/dbraw/zinc/41/20/08/549412008.db2.gz YJGLJMJATJINHA-KRWDZBQOSA-N 1 2 369.469 2.201 40 0 FEABLO Cc1ccncc1CO[C@H]1CCOC2(CN(c3cc(N(C)C)nc[nH+]3)C2)C1 ZINC000248153310 549412010 /nfs/dbraw/zinc/41/20/10/549412010.db2.gz YJGLJMJATJINHA-KRWDZBQOSA-N 1 2 369.469 2.201 40 0 FEABLO Cn1c[nH+]cc1-c1cccc(C[C@@H]2CCN(C(=O)C3CCOCC3)C2)n1 ZINC000585179639 571237862 /nfs/dbraw/zinc/23/78/62/571237862.db2.gz WXRRWUPXMBRGOY-HNNXBMFYSA-N 1 2 354.454 2.300 40 0 FEABLO CSc1nnc([C@H]2CCC[N@H+](CC(=O)N[C@H]3CCCC[C@H]3C)C2)n1C ZINC000005001443 539399394 /nfs/dbraw/zinc/39/93/94/539399394.db2.gz KWVPCEYTUUHIGH-ILXRZTDVSA-N 1 2 365.547 2.411 40 0 FEABLO CSc1nnc([C@H]2CCC[N@@H+](CC(=O)N[C@H]3CCCC[C@H]3C)C2)n1C ZINC000005001443 539399397 /nfs/dbraw/zinc/39/93/97/539399397.db2.gz KWVPCEYTUUHIGH-ILXRZTDVSA-N 1 2 365.547 2.411 40 0 FEABLO C[C@@H](CO)Nc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccccc2)[nH+]1 ZINC000329052483 210133795 /nfs/dbraw/zinc/13/37/95/210133795.db2.gz VBHQGVSFBZCIIG-ZDUSSCGKSA-N 1 2 364.405 2.252 40 0 FEABLO C[C@H](CO)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329044267 210132950 /nfs/dbraw/zinc/13/29/50/210132950.db2.gz SVZJTFZSADMQPG-GFCCVEGCSA-N 1 2 371.391 2.065 40 0 FEABLO Cn1c2ccccc2nc1N1CCC(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000012116332 539543968 /nfs/dbraw/zinc/54/39/68/539543968.db2.gz LJNAENABCWLBHX-UHFFFAOYSA-N 1 2 366.469 2.193 40 0 FEABLO COc1ccc(OC)c(C[N@@H+](Cc2cnc(N)nc2)C[C@H]2CCCO2)c1 ZINC000012187512 539548827 /nfs/dbraw/zinc/54/88/27/539548827.db2.gz FHOPSJWIJWXNHE-QGZVFWFLSA-N 1 2 358.442 2.257 40 0 FEABLO COc1ccc(OC)c(C[N@H+](Cc2cnc(N)nc2)C[C@H]2CCCO2)c1 ZINC000012187512 539548829 /nfs/dbraw/zinc/54/88/29/539548829.db2.gz FHOPSJWIJWXNHE-QGZVFWFLSA-N 1 2 358.442 2.257 40 0 FEABLO O=C(NC[C@@H]1Cn2nccc2C[N@H+](Cc2ccoc2)C1)C1CC(F)(F)C1 ZINC000306138758 210055923 /nfs/dbraw/zinc/05/59/23/210055923.db2.gz SGMMYGMYDXABKJ-AWEZNQCLSA-N 1 2 364.396 2.270 40 0 FEABLO O=C(NC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccoc2)C1)C1CC(F)(F)C1 ZINC000306138758 210055930 /nfs/dbraw/zinc/05/59/30/210055930.db2.gz SGMMYGMYDXABKJ-AWEZNQCLSA-N 1 2 364.396 2.270 40 0 FEABLO O=S1(=O)N[C@H]2C[N@H+](Cc3ccco3)C[C@@H]2N(CC2CC2)c2ccccc21 ZINC000306126059 210049350 /nfs/dbraw/zinc/04/93/50/210049350.db2.gz DKUXKWXVADZSOV-WMZOPIPTSA-N 1 2 373.478 2.041 40 0 FEABLO O=S1(=O)N[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]2N(CC2CC2)c2ccccc21 ZINC000306126059 210049352 /nfs/dbraw/zinc/04/93/52/210049352.db2.gz DKUXKWXVADZSOV-WMZOPIPTSA-N 1 2 373.478 2.041 40 0 FEABLO Cc1cc(-c2cnc(NCC[NH+]3CCOCC3)nc2[C@H]2CCCO2)on1 ZINC000019122679 539651202 /nfs/dbraw/zinc/65/12/02/539651202.db2.gz DFHYXHWDADQVRE-OAHLLOKOSA-N 1 2 359.430 2.036 40 0 FEABLO O=C(Cn1cc[nH+]c1)Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1 ZINC000019293110 539654607 /nfs/dbraw/zinc/65/46/07/539654607.db2.gz XEBQTIWEXATYQV-UHFFFAOYSA-N 1 2 354.332 2.377 40 0 FEABLO O=C(c1cscn1)N1CCC[C@@H]1c1ccnc(C[NH+]2CCOCC2)c1 ZINC000257336112 223070809 /nfs/dbraw/zinc/07/08/09/223070809.db2.gz YNFUGECVZHCGNQ-QGZVFWFLSA-N 1 2 358.467 2.348 40 0 FEABLO COc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000015674504 220158845 /nfs/dbraw/zinc/15/88/45/220158845.db2.gz ARHGFRZUHIVBFS-CVEARBPZSA-N 1 2 352.394 2.448 40 0 biogenic,in-vitro FEABLO COc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000015674504 220158848 /nfs/dbraw/zinc/15/88/48/220158848.db2.gz ARHGFRZUHIVBFS-CVEARBPZSA-N 1 2 352.394 2.448 40 0 biogenic,in-vitro FEABLO COc1ccc(OC)c(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000066871823 221246438 /nfs/dbraw/zinc/24/64/38/221246438.db2.gz HNZOKGOOMDEFAZ-UHFFFAOYSA-N 1 2 373.434 2.368 40 0 FEABLO CN(C(=O)c1cc2c([nH]c1=O)CCC2)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257283829 132296497 /nfs/dbraw/zinc/29/64/97/132296497.db2.gz OZZVTFZLHLMVOL-OAHLLOKOSA-N 1 2 352.438 2.412 40 0 FEABLO CCn1nc(C)cc1C(=O)N1Cc2[nH+]cn(C)c2[C@@H](COCC2CC2)C1 ZINC000096044951 542989380 /nfs/dbraw/zinc/98/93/80/542989380.db2.gz PGFYUJKKPCQJMJ-OAHLLOKOSA-N 1 2 357.458 2.111 40 0 FEABLO Cn1c[nH+]c2c1[C@H](COCC1CCCC1)CN(C(=O)c1cnccn1)C2 ZINC000096044956 221998235 /nfs/dbraw/zinc/99/82/35/221998235.db2.gz OGAPRWWKQNBOGM-HNNXBMFYSA-N 1 2 355.442 2.157 40 0 FEABLO CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH+]c[nH]2)[C@@H]1c1ccc(OC)cc1 ZINC000257253747 528947780 /nfs/dbraw/zinc/94/77/80/528947780.db2.gz KACGRVITBFMPTD-MJGOQNOKSA-N 1 2 370.453 2.077 40 0 FEABLO CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH]c[nH+]2)[C@@H]1c1ccc(OC)cc1 ZINC000257253747 528947785 /nfs/dbraw/zinc/94/77/85/528947785.db2.gz KACGRVITBFMPTD-MJGOQNOKSA-N 1 2 370.453 2.077 40 0 FEABLO O=C(CO[C@@H]1CCOC2(C[NH+](Cc3ccccc3F)C2)C1)N1CCCC1 ZINC000247743195 549376690 /nfs/dbraw/zinc/37/66/90/549376690.db2.gz PGQTYQYWBGECDR-QGZVFWFLSA-N 1 2 362.445 2.198 40 0 FEABLO CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCOCc2ccncc2)nc[nH+]1 ZINC000248121986 549408284 /nfs/dbraw/zinc/40/82/84/549408284.db2.gz NIJGCWSVVANUBK-KRWDZBQOSA-N 1 2 369.469 2.140 40 0 FEABLO CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCOCc2ccncc2)[nH+]cn1 ZINC000248121986 549408287 /nfs/dbraw/zinc/40/82/87/549408287.db2.gz NIJGCWSVVANUBK-KRWDZBQOSA-N 1 2 369.469 2.140 40 0 FEABLO Cc1noc(C)c1C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccco1)CO2 ZINC000252011076 549662202 /nfs/dbraw/zinc/66/22/02/549662202.db2.gz SBWINZJFWRZTIV-HNNXBMFYSA-N 1 2 359.426 2.295 40 0 FEABLO O=C(NCC[C@@H]1CCOC12C[NH+](Cc1ccccn1)C2)C1CC(F)(F)C1 ZINC000585103232 571223438 /nfs/dbraw/zinc/22/34/38/571223438.db2.gz SGRNUMMCMZLJIK-OAHLLOKOSA-N 1 2 365.424 2.224 40 0 FEABLO Cc1cnc(C(=O)N[C@H]2CCCC[C@@]23C[N@H+](Cc2ccco2)CCO3)cn1 ZINC000306141463 210058169 /nfs/dbraw/zinc/05/81/69/210058169.db2.gz VWXMRALJQUVWAV-AZUAARDMSA-N 1 2 370.453 2.322 40 0 FEABLO Cc1cnc(C(=O)N[C@H]2CCCC[C@@]23C[N@@H+](Cc2ccco2)CCO3)cn1 ZINC000306141463 210058172 /nfs/dbraw/zinc/05/81/72/210058172.db2.gz VWXMRALJQUVWAV-AZUAARDMSA-N 1 2 370.453 2.322 40 0 FEABLO COc1ncccc1CN1Cc2ccnn2C[C@H](CNc2cccc[nH+]2)C1 ZINC000306135135 210053721 /nfs/dbraw/zinc/05/37/21/210053721.db2.gz OITNWGQGQJWSIQ-MRXNPFEDSA-N 1 2 364.453 2.426 40 0 FEABLO CCC(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306135526 210052970 /nfs/dbraw/zinc/05/29/70/210052970.db2.gz OTZWVDZAXPLZRG-OXQOHEQNSA-N 1 2 358.486 2.429 40 0 FEABLO O=S1(=O)N[C@H]2C[N@H+](Cc3ccco3)C[C@H]2N(CC2CC2)c2ccccc21 ZINC000306126057 210049568 /nfs/dbraw/zinc/04/95/68/210049568.db2.gz DKUXKWXVADZSOV-FUHWJXTLSA-N 1 2 373.478 2.041 40 0 FEABLO O=S1(=O)N[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2N(CC2CC2)c2ccccc21 ZINC000306126057 210049571 /nfs/dbraw/zinc/04/95/71/210049571.db2.gz DKUXKWXVADZSOV-FUHWJXTLSA-N 1 2 373.478 2.041 40 0 FEABLO C[N@@H+]1C[C@@H](NC(=O)c2cccs2)C[C@H]1c1nc(-c2ccccn2)no1 ZINC000012529780 220002825 /nfs/dbraw/zinc/00/28/25/220002825.db2.gz NPLWGPSHXILMNY-AAEUAGOBSA-N 1 2 355.423 2.368 40 0 biogenic,in-vitro FEABLO C[N@H+]1C[C@@H](NC(=O)c2cccs2)C[C@H]1c1nc(-c2ccccn2)no1 ZINC000012529780 220002828 /nfs/dbraw/zinc/00/28/28/220002828.db2.gz NPLWGPSHXILMNY-AAEUAGOBSA-N 1 2 355.423 2.368 40 0 biogenic,in-vitro FEABLO Cc1cc(Nc2cnccn2)nc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072360090 541801980 /nfs/dbraw/zinc/80/19/80/541801980.db2.gz VLDRIVHEGNISCF-AWEZNQCLSA-N 1 2 350.430 2.421 40 0 FEABLO Cc1cc(Nc2cnccn2)nc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072360090 541801982 /nfs/dbraw/zinc/80/19/82/541801982.db2.gz VLDRIVHEGNISCF-AWEZNQCLSA-N 1 2 350.430 2.421 40 0 FEABLO O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378745 541803043 /nfs/dbraw/zinc/80/30/43/541803043.db2.gz VFYNSEFVOBXXES-MRXNPFEDSA-N 1 2 373.413 2.327 40 0 FEABLO CC(=O)N1CCc2nnc([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2CC1 ZINC000019710715 211247251 /nfs/dbraw/zinc/24/72/51/211247251.db2.gz OALOIKZUUIWMBI-QGZVFWFLSA-N 1 2 357.433 2.159 40 0 FEABLO CC(=O)N1CCc2nnc([C@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2CC1 ZINC000019710715 211247254 /nfs/dbraw/zinc/24/72/54/211247254.db2.gz OALOIKZUUIWMBI-QGZVFWFLSA-N 1 2 357.433 2.159 40 0 FEABLO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000019448035 211221942 /nfs/dbraw/zinc/22/19/42/211221942.db2.gz QVDWADHAFVYSHD-MRXNPFEDSA-N 1 2 372.494 2.271 40 0 FEABLO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000019448035 211221945 /nfs/dbraw/zinc/22/19/45/211221945.db2.gz QVDWADHAFVYSHD-MRXNPFEDSA-N 1 2 372.494 2.271 40 0 FEABLO COc1ccc(OC)c([C@@H](O)CN2CC[NH+](Cc3ncccc3C)CC2)c1 ZINC000019237815 211209030 /nfs/dbraw/zinc/20/90/30/211209030.db2.gz PVFQRCIFCSZMRE-FQEVSTJZSA-N 1 2 371.481 2.258 40 0 FEABLO COc1ccc(OC)c([C@@H](O)C[NH+]2CCN(Cc3ncccc3C)CC2)c1 ZINC000019237815 211209036 /nfs/dbraw/zinc/20/90/36/211209036.db2.gz PVFQRCIFCSZMRE-FQEVSTJZSA-N 1 2 371.481 2.258 40 0 FEABLO COc1cccc(C[N@@H+]2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@H]3C2)n1 ZINC000077266696 542360797 /nfs/dbraw/zinc/36/07/97/542360797.db2.gz KHLOCHCDDLKPQH-GOSISDBHSA-N 1 2 370.428 2.351 40 0 biogenic,in-vitro FEABLO COc1cccc(C[N@H+]2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@H]3C2)n1 ZINC000077266696 542360801 /nfs/dbraw/zinc/36/08/01/542360801.db2.gz KHLOCHCDDLKPQH-GOSISDBHSA-N 1 2 370.428 2.351 40 0 biogenic,in-vitro FEABLO Cc1nc(N2CCC[C@@H](c3cccc(C(=O)N4CCOCC4)n3)C2)cc[nH+]1 ZINC000257323847 132297078 /nfs/dbraw/zinc/29/70/78/132297078.db2.gz WMBFIPAQTPATCK-MRXNPFEDSA-N 1 2 367.453 2.036 40 0 FEABLO Cn1c[nH+]c2c1[C@H](COCC1CCCC1)CN(C(=O)c1ccnnc1)C2 ZINC000096044958 542989365 /nfs/dbraw/zinc/98/93/65/542989365.db2.gz RSWAYXLWFOMSMK-INIZCTEOSA-N 1 2 355.442 2.157 40 0 FEABLO Cn1c[nH+]c2c1[C@@H](COCC1CCOCC1)CN(C(=O)C1CC=CC1)C2 ZINC000096045011 542989451 /nfs/dbraw/zinc/98/94/51/542989451.db2.gz XZLYKXLXLXHHLK-QGZVFWFLSA-N 1 2 359.470 2.255 40 0 FEABLO Cc1cccc(COC[C@@H]2C[C@H]3OCC[N@@H+](Cc4cnn(C)c4)[C@@H]3C2)n1 ZINC000096055537 222004742 /nfs/dbraw/zinc/00/47/42/222004742.db2.gz LJYIVGUFZUYVMG-PWIZWCRZSA-N 1 2 356.470 2.320 40 0 FEABLO Cc1cccc(COC[C@@H]2C[C@H]3OCC[N@H+](Cc4cnn(C)c4)[C@@H]3C2)n1 ZINC000096055537 222004746 /nfs/dbraw/zinc/00/47/46/222004746.db2.gz LJYIVGUFZUYVMG-PWIZWCRZSA-N 1 2 356.470 2.320 40 0 FEABLO Cn1c[nH+]c2c1[C@@H](C(=O)NC1CCCC1)N(C(=O)c1ccccc1)CC2 ZINC000096147197 222048507 /nfs/dbraw/zinc/04/85/07/222048507.db2.gz RBLZRFQUGUFRPE-SFHVURJKSA-N 1 2 352.438 2.219 40 0 FEABLO Cn1c[nH+]c2c1[C@@H](COCc1cccnc1)N(C(=O)c1ccco1)CC2 ZINC000096187727 222070538 /nfs/dbraw/zinc/07/05/38/222070538.db2.gz AMFTZGHRVSZVSN-MRXNPFEDSA-N 1 2 352.394 2.365 40 0 FEABLO O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096226074 222088328 /nfs/dbraw/zinc/08/83/28/222088328.db2.gz JQVRBDDKFUQTRW-FQEVSTJZSA-N 1 2 368.412 2.258 40 0 FEABLO O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096226074 222088330 /nfs/dbraw/zinc/08/83/30/222088330.db2.gz JQVRBDDKFUQTRW-FQEVSTJZSA-N 1 2 368.412 2.258 40 0 FEABLO CC(C)Cc1cc(C(=O)NC[C@@]2(O)CCCN(c3cccc[nH+]3)C2)on1 ZINC000257320463 535335856 /nfs/dbraw/zinc/33/58/56/535335856.db2.gz VWXTXAZBJGDTKB-IBGZPJMESA-N 1 2 358.442 2.029 40 0 FEABLO Cc1cc(F)ccc1C(=O)N1Cc2c[nH+]cn2[C@H](COc2ncccn2)C1 ZINC000247821048 549385565 /nfs/dbraw/zinc/38/55/65/549385565.db2.gz GLAZSFNJQQXXRH-INIZCTEOSA-N 1 2 367.384 2.397 40 0 FEABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@H]2CCNC(=O)c1ccncc1 ZINC000248047160 549402471 /nfs/dbraw/zinc/40/24/71/549402471.db2.gz RBJDLAZFWLDMEE-MRXNPFEDSA-N 1 2 372.494 2.258 40 0 FEABLO CN(C)c1cc(N2CC3(C2)OCC[C@H]3CCOc2ccccn2)nc[nH+]1 ZINC000248124003 549408118 /nfs/dbraw/zinc/40/81/18/549408118.db2.gz OARRYTQMYRWAMU-OAHLLOKOSA-N 1 2 355.442 2.002 40 0 FEABLO CN(C)c1cc(N2CC3(C2)OCC[C@H]3CCOc2ccccn2)[nH+]cn1 ZINC000248124003 549408120 /nfs/dbraw/zinc/40/81/20/549408120.db2.gz OARRYTQMYRWAMU-OAHLLOKOSA-N 1 2 355.442 2.002 40 0 FEABLO Cn1cccc1C(=O)NCC[C@H]1CCOC12C[NH+](Cc1ccsc1)C2 ZINC000248165120 549413394 /nfs/dbraw/zinc/41/33/94/549413394.db2.gz ZMSPVWNNMJYQBQ-INIZCTEOSA-N 1 2 359.495 2.498 40 0 FEABLO CCS(=O)(=O)NCC[C@@H]1C[N@H+](Cc2sccc2C)Cc2ccnn21 ZINC000253599908 549697196 /nfs/dbraw/zinc/69/71/96/549697196.db2.gz WYJMVNADNYRJEJ-OAHLLOKOSA-N 1 2 368.528 2.139 40 0 FEABLO CCS(=O)(=O)NCC[C@@H]1C[N@@H+](Cc2sccc2C)Cc2ccnn21 ZINC000253599908 549697199 /nfs/dbraw/zinc/69/71/99/549697199.db2.gz WYJMVNADNYRJEJ-OAHLLOKOSA-N 1 2 368.528 2.139 40 0 FEABLO Cn1cc[nH+]c1CN1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000604383251 568287359 /nfs/dbraw/zinc/28/73/59/568287359.db2.gz QCNWFZFUUPDGMP-IRFCIJBXSA-N 1 2 368.481 2.013 40 0 biogenic,in-vitro FEABLO CCOC[C@@H]1CC[N@H+](C)C2(CN(S(=O)(=O)c3cccc(Cl)c3)C2)C1 ZINC000585103102 571223289 /nfs/dbraw/zinc/22/32/89/571223289.db2.gz QBNKVLLFYATTFZ-CQSZACIVSA-N 1 2 372.918 2.461 40 0 FEABLO CCOC[C@@H]1CC[N@@H+](C)C2(CN(S(=O)(=O)c3cccc(Cl)c3)C2)C1 ZINC000585103102 571223290 /nfs/dbraw/zinc/22/32/90/571223290.db2.gz QBNKVLLFYATTFZ-CQSZACIVSA-N 1 2 372.918 2.461 40 0 FEABLO COc1cccc(C[N@H+]2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)c1 ZINC000585112414 571226051 /nfs/dbraw/zinc/22/60/51/571226051.db2.gz PHOQPLLUKZDFSY-SFHVURJKSA-N 1 2 354.454 2.461 40 0 FEABLO COc1cccc(C[N@@H+]2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)c1 ZINC000585112414 571226054 /nfs/dbraw/zinc/22/60/54/571226054.db2.gz PHOQPLLUKZDFSY-SFHVURJKSA-N 1 2 354.454 2.461 40 0 FEABLO CN(C)c1cncc([C@@H]2CCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257249016 529801511 /nfs/dbraw/zinc/80/15/11/529801511.db2.gz JGIWDIPNOBJAQY-KRWDZBQOSA-N 1 2 353.474 2.270 40 0 FEABLO CN(C)c1cncc([C@@H]2CCC[N@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257249016 529801514 /nfs/dbraw/zinc/80/15/14/529801514.db2.gz JGIWDIPNOBJAQY-KRWDZBQOSA-N 1 2 353.474 2.270 40 0 FEABLO C[N@@H+]1Cc2nnc(-c3ccccc3)n2C2(CCN(C(=O)C3CC3)CC2)C1 ZINC000306131450 529830728 /nfs/dbraw/zinc/83/07/28/529830728.db2.gz KEWKPABAWMNNOS-UHFFFAOYSA-N 1 2 351.454 2.118 40 0 FEABLO C[N@H+]1Cc2nnc(-c3ccccc3)n2C2(CCN(C(=O)C3CC3)CC2)C1 ZINC000306131450 529830729 /nfs/dbraw/zinc/83/07/29/529830729.db2.gz KEWKPABAWMNNOS-UHFFFAOYSA-N 1 2 351.454 2.118 40 0 FEABLO Cc1cc(N2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@H]32)ccc1Br ZINC000007278186 539453751 /nfs/dbraw/zinc/45/37/51/539453751.db2.gz XDBWSPUYZIZFSP-MNOVXSKESA-N 1 2 361.286 2.411 40 0 FEABLO CNc1nc(N2CC[NH+](C)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000010157662 539513482 /nfs/dbraw/zinc/51/34/82/539513482.db2.gz HOJATERQKBJTFZ-HNNXBMFYSA-N 1 2 351.454 2.183 40 0 FEABLO COc1ccccc1[C@@H]1CC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C1 ZINC000010338436 539516347 /nfs/dbraw/zinc/51/63/47/539516347.db2.gz RIYBHLNYTCVIBC-AWEZNQCLSA-N 1 2 352.438 2.150 40 0 FEABLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(C)nc2c(Cl)cccc12 ZINC000012147270 539546943 /nfs/dbraw/zinc/54/69/43/539546943.db2.gz YANAWFGVMXULSG-OAHLLOKOSA-N 1 2 372.812 2.434 40 0 FEABLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(C)nc2c(Cl)cccc12 ZINC000012147270 539546946 /nfs/dbraw/zinc/54/69/46/539546946.db2.gz YANAWFGVMXULSG-OAHLLOKOSA-N 1 2 372.812 2.434 40 0 FEABLO CN(C)c1nc(N2CCC(O)CC2)c2c([nH+]1)CN(Cc1ccccc1)CC2 ZINC000012325731 539555504 /nfs/dbraw/zinc/55/55/04/539555504.db2.gz HFERRFLLWHUTFI-UHFFFAOYSA-N 1 2 367.497 2.062 40 0 FEABLO COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3[nH]cc[nH+]3)n2)cn1 ZINC000035425463 539982722 /nfs/dbraw/zinc/98/27/22/539982722.db2.gz CTHSEXIGESSSHM-AWEZNQCLSA-N 1 2 370.413 2.217 40 0 biogenic,in-vitro FEABLO COC(=O)c1cccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000057440362 540796716 /nfs/dbraw/zinc/79/67/16/540796716.db2.gz NKXOLZWDKAXFEV-UHFFFAOYSA-N 1 2 371.412 2.373 40 0 FEABLO CCn1cc(CN2Cc3c[nH+]cn3[C@H](C(=O)NCc3cccs3)C2)cn1 ZINC000306133650 223110010 /nfs/dbraw/zinc/11/00/10/223110010.db2.gz MSEAEPUTQLNJMJ-KRWDZBQOSA-N 1 2 370.482 2.034 40 0 FEABLO C[C@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2ccncc2)[nH+]1 ZINC000328972180 223127246 /nfs/dbraw/zinc/12/72/46/223127246.db2.gz DUYYWFQMTRSCAH-CYBMUJFWSA-N 1 2 369.856 2.441 40 0 FEABLO OCCNc1nc(Nc2ccccc2OC(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329071778 223132727 /nfs/dbraw/zinc/13/27/27/223132727.db2.gz ZSOAJIOTAURGCT-UHFFFAOYSA-N 1 2 354.332 2.244 40 0 FEABLO CO[C@@H](C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000061468601 541131023 /nfs/dbraw/zinc/13/10/23/541131023.db2.gz WNTMBCLHUSGFMR-HXUWFJFHSA-N 1 2 368.433 2.447 40 0 FEABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@H+](Cc1ccc3nccnc3c1)C2 ZINC000019345799 220252030 /nfs/dbraw/zinc/25/20/30/220252030.db2.gz BFGOBWWMLYQLAL-UHFFFAOYSA-N 1 2 370.416 2.333 40 0 FEABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccc3nccnc3c1)C2 ZINC000019345799 220252031 /nfs/dbraw/zinc/25/20/31/220252031.db2.gz BFGOBWWMLYQLAL-UHFFFAOYSA-N 1 2 370.416 2.333 40 0 FEABLO Cc1nnnn1-c1cccc(NC(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000019661343 220283106 /nfs/dbraw/zinc/28/31/06/220283106.db2.gz GEVBCMBDYNGORU-KRWDZBQOSA-N 1 2 354.389 2.351 40 0 FEABLO COc1c(C)cccc1C(=O)N1CCc2nnc([C@H]3CCC[N@@H+]3C)n2CC1 ZINC000019706301 220286227 /nfs/dbraw/zinc/28/62/27/220286227.db2.gz OIVZKIBVDIPDJG-MRXNPFEDSA-N 1 2 369.469 2.060 40 0 FEABLO COc1c(C)cccc1C(=O)N1CCc2nnc([C@H]3CCC[N@H+]3C)n2CC1 ZINC000019706301 220286230 /nfs/dbraw/zinc/28/62/30/220286230.db2.gz OIVZKIBVDIPDJG-MRXNPFEDSA-N 1 2 369.469 2.060 40 0 FEABLO CCOC(=O)N1CC[NH+](C[C@@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000035088658 220771376 /nfs/dbraw/zinc/77/13/76/220771376.db2.gz YYURVCYQHWNCOP-GVDBMIGSSA-N 1 2 356.507 2.353 40 0 FEABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000257252897 533467213 /nfs/dbraw/zinc/46/72/13/533467213.db2.gz JWORNGYKUQTJSM-OAHLLOKOSA-N 1 2 359.451 2.079 40 0 FEABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000257252897 533467215 /nfs/dbraw/zinc/46/72/15/533467215.db2.gz JWORNGYKUQTJSM-OAHLLOKOSA-N 1 2 359.451 2.079 40 0 FEABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cc2c([nH]c1=O)CCCC2 ZINC000131161077 132251184 /nfs/dbraw/zinc/25/11/84/132251184.db2.gz JTIINPZWCFXGKI-HNNXBMFYSA-N 1 2 352.438 2.048 40 0 FEABLO Cc1ncccc1NC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096226121 222088271 /nfs/dbraw/zinc/08/82/71/222088271.db2.gz ZKEIIVJXBQLPFI-IBGZPJMESA-N 1 2 351.410 2.145 40 0 FEABLO Cc1ncccc1NC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096226121 222088273 /nfs/dbraw/zinc/08/82/73/222088273.db2.gz ZKEIIVJXBQLPFI-IBGZPJMESA-N 1 2 351.410 2.145 40 0 FEABLO OCCCNc1nc(Nc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000329014741 534363147 /nfs/dbraw/zinc/36/31/47/534363147.db2.gz MXDLLZBGQCNQAL-UHFFFAOYSA-N 1 2 363.259 2.498 40 0 FEABLO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1ccccc1C(F)(F)F ZINC000257271521 534549495 /nfs/dbraw/zinc/54/94/95/534549495.db2.gz MYQRPRNMXBPVLU-HOCLYGCPSA-N 1 2 358.360 2.260 40 0 FEABLO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1ccccc1C(F)(F)F ZINC000257271521 534549502 /nfs/dbraw/zinc/54/95/02/534549502.db2.gz MYQRPRNMXBPVLU-HOCLYGCPSA-N 1 2 358.360 2.260 40 0 FEABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)C3CC3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136929 528619548 /nfs/dbraw/zinc/61/95/48/528619548.db2.gz QHAHPLXIOSZUIY-DYESRHJHSA-N 1 2 370.497 2.429 40 0 FEABLO CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH+]c[nH]2)[C@@H]1c1ccc(C)cc1 ZINC000257223395 528948891 /nfs/dbraw/zinc/94/88/91/528948891.db2.gz DXDSMZMVMASDJF-MJGOQNOKSA-N 1 2 354.454 2.377 40 0 FEABLO CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH]c[nH+]2)[C@@H]1c1ccc(C)cc1 ZINC000257223395 528948896 /nfs/dbraw/zinc/94/88/96/528948896.db2.gz DXDSMZMVMASDJF-MJGOQNOKSA-N 1 2 354.454 2.377 40 0 FEABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1CC[NH+]1CCOCC1 ZINC000223125119 548715475 /nfs/dbraw/zinc/71/54/75/548715475.db2.gz BRYSDDHTHPJCEF-SJORKVTESA-N 1 2 374.535 2.448 40 0 FEABLO O=C(COC[C@@H]1CN(Cc2cccs2)Cc2c[nH+]cn21)N1CCCC1 ZINC000247744185 549376862 /nfs/dbraw/zinc/37/68/62/549376862.db2.gz QEBGKPFALUKAIQ-INIZCTEOSA-N 1 2 360.483 2.141 40 0 FEABLO Cc1noc(C)c1C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccn1C)CO2 ZINC000248082571 549406321 /nfs/dbraw/zinc/40/63/21/549406321.db2.gz APVRFWOQQBNDCO-INIZCTEOSA-N 1 2 372.469 2.041 40 0 FEABLO CC(C)n1cc(C[N@@H+]2CCn3cc(CC(=O)NC4CC4)nc3[C@H]2C)cn1 ZINC000306123043 553748071 /nfs/dbraw/zinc/74/80/71/553748071.db2.gz ADHFAQMWGQUJPX-CQSZACIVSA-N 1 2 356.474 2.058 40 0 FEABLO CC(C)n1cc(C[N@H+]2CCn3cc(CC(=O)NC4CC4)nc3[C@H]2C)cn1 ZINC000306123043 553748076 /nfs/dbraw/zinc/74/80/76/553748076.db2.gz ADHFAQMWGQUJPX-CQSZACIVSA-N 1 2 356.474 2.058 40 0 FEABLO Cn1[nH]c(C[N@@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nc1=O ZINC000329609657 553976125 /nfs/dbraw/zinc/97/61/25/553976125.db2.gz QZKRAFBFNXIOGV-LLVKDONJSA-N 1 2 357.241 2.459 40 0 FEABLO Cn1[nH]c(C[N@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nc1=O ZINC000329609657 553976131 /nfs/dbraw/zinc/97/61/31/553976131.db2.gz QZKRAFBFNXIOGV-LLVKDONJSA-N 1 2 357.241 2.459 40 0 FEABLO NC(=O)C[C@]1(COc2cccc(Cl)c2)C[N@H+](Cc2ccc[nH]2)CCO1 ZINC000585274026 570487391 /nfs/dbraw/zinc/48/73/91/570487391.db2.gz YOTUKXXVSSPKNS-GOSISDBHSA-N 1 2 363.845 2.194 40 0 FEABLO NC(=O)C[C@]1(COc2cccc(Cl)c2)C[N@@H+](Cc2ccc[nH]2)CCO1 ZINC000585274026 570487394 /nfs/dbraw/zinc/48/73/94/570487394.db2.gz YOTUKXXVSSPKNS-GOSISDBHSA-N 1 2 363.845 2.194 40 0 FEABLO CCCn1cc[nH+]c1CN1CCCC[C@@H]1c1n[nH]cc1S(C)(=O)=O ZINC000585182024 571238319 /nfs/dbraw/zinc/23/83/19/571238319.db2.gz FUPQGNBCMOVUBZ-CYBMUJFWSA-N 1 2 351.476 2.147 40 0 FEABLO Cc1nccc(-c2ccc(-c3noc(C[NH+]4CCC(O)CC4)n3)cc2)n1 ZINC000012337092 539555398 /nfs/dbraw/zinc/55/53/98/539555398.db2.gz CRCMIXBLGZWHGB-UHFFFAOYSA-N 1 2 351.410 2.459 40 0 FEABLO Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3[N@@H+]1CC(C)(C)CN1CCOCC1 ZINC000072336960 541800509 /nfs/dbraw/zinc/80/05/09/541800509.db2.gz NVFWKHDXSYVDRY-FUHWJXTLSA-N 1 2 369.513 2.458 40 0 FEABLO Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3[N@H+]1CC(C)(C)CN1CCOCC1 ZINC000072336960 541800512 /nfs/dbraw/zinc/80/05/12/541800512.db2.gz NVFWKHDXSYVDRY-FUHWJXTLSA-N 1 2 369.513 2.458 40 0 FEABLO O=C(Cn1c(-c2cccs2)cc2cccnc21)NCC[NH+]1CCOCC1 ZINC000019347106 220251030 /nfs/dbraw/zinc/25/10/30/220251030.db2.gz NXTZNUZJDDBYIJ-UHFFFAOYSA-N 1 2 370.478 2.213 40 0 FEABLO Cc1nc(C)c(C(=O)N2CCc3nnc([C@@H]4CCCC[N@H+]4C)n3CC2)s1 ZINC000019706451 220288634 /nfs/dbraw/zinc/28/86/34/220288634.db2.gz UVCYXLPOKKCJJE-AWEZNQCLSA-N 1 2 374.514 2.207 40 0 FEABLO Cc1nc(C)c(C(=O)N2CCc3nnc([C@@H]4CCCC[N@@H+]4C)n3CC2)s1 ZINC000019706451 220288637 /nfs/dbraw/zinc/28/86/37/220288637.db2.gz UVCYXLPOKKCJJE-AWEZNQCLSA-N 1 2 374.514 2.207 40 0 FEABLO COc1ncccc1CN1Cc2c[nH+]cn2[C@H](COc2nccc(C)n2)C1 ZINC000306138041 533257824 /nfs/dbraw/zinc/25/78/24/533257824.db2.gz RNJVUMIXHUYPJQ-KRWDZBQOSA-N 1 2 366.425 2.021 40 0 FEABLO COc1cccc(NCc2n[nH]c([C@H]([NH3+])c3ccc(OC)c(OC)c3)n2)c1 ZINC000095533836 542982599 /nfs/dbraw/zinc/98/25/99/542982599.db2.gz WFJIJCGVRGUUAJ-GOSISDBHSA-N 1 2 369.425 2.491 40 0 FEABLO COc1cccc(NCc2nnc([C@H]([NH3+])c3ccc(OC)c(OC)c3)[nH]2)c1 ZINC000095533836 542982603 /nfs/dbraw/zinc/98/26/03/542982603.db2.gz WFJIJCGVRGUUAJ-GOSISDBHSA-N 1 2 369.425 2.491 40 0 FEABLO COc1cccc(NCc2nc([C@H]([NH3+])c3ccc(OC)c(OC)c3)n[nH]2)c1 ZINC000095533836 542982606 /nfs/dbraw/zinc/98/26/06/542982606.db2.gz WFJIJCGVRGUUAJ-GOSISDBHSA-N 1 2 369.425 2.491 40 0 FEABLO Cn1c[nH+]c2c1[C@@H](COCC1CCCC1)CN(C(=O)c1cnccn1)C2 ZINC000096044957 542989490 /nfs/dbraw/zinc/98/94/90/542989490.db2.gz OGAPRWWKQNBOGM-OAHLLOKOSA-N 1 2 355.442 2.157 40 0 FEABLO CCS(=O)(=O)N1CC2(CC[NH+](Cc3nccn3C)CC2)c2ccccc21 ZINC000096078884 222015401 /nfs/dbraw/zinc/01/54/01/222015401.db2.gz SLVUQJCSHPQYCA-UHFFFAOYSA-N 1 2 374.510 2.124 40 0 FEABLO Cc1cccc(COC[C@H]2C[C@H]3OCCN(Cc4[nH+]ccn4C)[C@@H]3C2)n1 ZINC000096250707 222099960 /nfs/dbraw/zinc/09/99/60/222099960.db2.gz VRNUWDNDZPVIPC-BHIYHBOVSA-N 1 2 356.470 2.320 40 0 FEABLO O=C(Cc1ccco1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC000096209211 222078631 /nfs/dbraw/zinc/07/86/31/222078631.db2.gz ZFSAFXMUIXBCNW-OAHLLOKOSA-N 1 2 352.394 2.151 40 0 FEABLO COc1ncccc1C[N@@H+]1CC[C@H]2C[C@@H](C(=O)NC3CCCC3)O[C@@H]2C1 ZINC000097953820 222217997 /nfs/dbraw/zinc/21/79/97/222217997.db2.gz LEGBPEKSQVYEOV-JCGIZDLHSA-N 1 2 359.470 2.128 40 0 FEABLO COc1ncccc1C[N@H+]1CC[C@H]2C[C@@H](C(=O)NC3CCCC3)O[C@@H]2C1 ZINC000097953820 222217999 /nfs/dbraw/zinc/21/79/99/222217999.db2.gz LEGBPEKSQVYEOV-JCGIZDLHSA-N 1 2 359.470 2.128 40 0 FEABLO Cc1noc(C)c1C[NH+]1CC2(C1)CC[C@H](CNC(=O)N1CCCC1)CO2 ZINC000306123301 534353112 /nfs/dbraw/zinc/35/31/12/534353112.db2.gz AJOVEXGAQUATKL-MRXNPFEDSA-N 1 2 362.474 2.078 40 0 FEABLO O=C(COCC[C@H]1CCOC2(C[NH+](Cc3ccccn3)C2)C1)N1CCCC1 ZINC000247741146 549376758 /nfs/dbraw/zinc/37/67/58/549376758.db2.gz OFDLFOIIHKOWOL-SFHVURJKSA-N 1 2 373.497 2.092 40 0 FEABLO O=C(C[C@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21)N1CCC1 ZINC000247863253 549386114 /nfs/dbraw/zinc/38/61/14/549386114.db2.gz NLEUGXYPQLEFLU-IBGZPJMESA-N 1 2 354.454 2.079 40 0 FEABLO O=C(C[C@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21)N1CCC1 ZINC000247863253 549386115 /nfs/dbraw/zinc/38/61/15/549386115.db2.gz NLEUGXYPQLEFLU-IBGZPJMESA-N 1 2 354.454 2.079 40 0 FEABLO Cc1csc(C[NH+]2CC3(C2)C[C@H](OCC(=O)N2CCCC2)CS3)n1 ZINC000247928394 549391618 /nfs/dbraw/zinc/39/16/18/549391618.db2.gz BJWJWLYIZBFION-AWEZNQCLSA-N 1 2 367.540 2.150 40 0 FEABLO COc1c(Br)cc([C@@H]2NC(=O)CC[NH2+]2)cc1Br ZINC000408736829 558689498 /nfs/dbraw/zinc/68/94/98/558689498.db2.gz ISSPWQOAHMGTNU-NSHDSACASA-N 1 2 364.037 2.328 40 0 FEABLO C[C@H]1c2[nH+]cc(CCOc3ccccn3)n2CCN1C(=O)c1cocn1 ZINC000585096916 571221269 /nfs/dbraw/zinc/22/12/69/571221269.db2.gz CHPXXKHZNPQPSQ-ZDUSSCGKSA-N 1 2 353.382 2.105 40 0 FEABLO C[C@]1(C(=O)N2CCc3[nH+]cc(CNC(=O)CC4CC4)n3CC2)CC=CCC1 ZINC000585110660 571226536 /nfs/dbraw/zinc/22/65/36/571226536.db2.gz XDNPVINYBVNPBE-NRFANRHFSA-N 1 2 370.497 2.431 40 0 FEABLO CN(C)c1cccc([C@@H]2C[N@H+](Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257206560 529793870 /nfs/dbraw/zinc/79/38/70/529793870.db2.gz BDZZTTQZBWBLKU-IBGZPJMESA-N 1 2 357.454 2.092 40 0 FEABLO CN(C)c1cccc([C@@H]2C[N@@H+](Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257206560 529793872 /nfs/dbraw/zinc/79/38/72/529793872.db2.gz BDZZTTQZBWBLKU-IBGZPJMESA-N 1 2 357.454 2.092 40 0 FEABLO CN(C)c1cnc(C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000257343827 529801562 /nfs/dbraw/zinc/80/15/62/529801562.db2.gz ZUPBGZSSZUKCME-MRXNPFEDSA-N 1 2 356.474 2.001 40 0 FEABLO COc1ccccc1[C@H]1CC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C1 ZINC000010338438 539516015 /nfs/dbraw/zinc/51/60/15/539516015.db2.gz RIYBHLNYTCVIBC-CQSZACIVSA-N 1 2 352.438 2.150 40 0 FEABLO COc1ccc([C@@H](NC(=O)c2ccccn2)c2[nH+]ccn2C)cc1OC ZINC000012114943 539543715 /nfs/dbraw/zinc/54/37/15/539543715.db2.gz VBCOARAGIGPNRJ-QGZVFWFLSA-N 1 2 352.394 2.352 40 0 FEABLO C=Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)c(C)n1 ZINC000012142560 539545957 /nfs/dbraw/zinc/54/59/57/539545957.db2.gz PWTPTWSGRLFABB-QFBILLFUSA-N 1 2 366.469 2.180 40 0 FEABLO C=Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)c(C)n1 ZINC000012142560 539545961 /nfs/dbraw/zinc/54/59/61/539545961.db2.gz PWTPTWSGRLFABB-QFBILLFUSA-N 1 2 366.469 2.180 40 0 FEABLO Nc1nc(N2CCOCC2)[nH+]c2c1CCN(Cc1cccc(Cl)c1)C2 ZINC000012338386 539555077 /nfs/dbraw/zinc/55/50/77/539555077.db2.gz VCXCUHOUOKRXHC-UHFFFAOYSA-N 1 2 359.861 2.107 40 0 FEABLO Nc1nc(N2CCOCC2)nc2c1CC[N@H+](Cc1cccc(Cl)c1)C2 ZINC000012338386 539555080 /nfs/dbraw/zinc/55/50/80/539555080.db2.gz VCXCUHOUOKRXHC-UHFFFAOYSA-N 1 2 359.861 2.107 40 0 FEABLO Nc1nc(N2CCOCC2)nc2c1CC[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000012338386 539555085 /nfs/dbraw/zinc/55/50/85/539555085.db2.gz VCXCUHOUOKRXHC-UHFFFAOYSA-N 1 2 359.861 2.107 40 0 FEABLO Nc1ncncc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCO3)n1 ZINC000035426020 539982261 /nfs/dbraw/zinc/98/22/61/539982261.db2.gz VMAJHCPOJKEUKR-ZDUSSCGKSA-N 1 2 366.381 2.175 40 0 biogenic,in-vitro FEABLO Nc1ncncc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)OCO3)n1 ZINC000035426020 539982265 /nfs/dbraw/zinc/98/22/65/539982265.db2.gz VMAJHCPOJKEUKR-ZDUSSCGKSA-N 1 2 366.381 2.175 40 0 biogenic,in-vitro FEABLO Cc1cc(N2CCC[C@@H](Cc3cc(C(=O)N(C)C)ncn3)CC2)nc[nH+]1 ZINC000257276187 223046690 /nfs/dbraw/zinc/04/66/90/223046690.db2.gz NSROVCQECDCYBR-OAHLLOKOSA-N 1 2 354.458 2.126 40 0 FEABLO O=C(C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000257302259 223057801 /nfs/dbraw/zinc/05/78/01/223057801.db2.gz SCDXOWRTQHAWSZ-HOCLYGCPSA-N 1 2 358.360 2.260 40 0 FEABLO O=C(C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000257302259 223057802 /nfs/dbraw/zinc/05/78/02/223057802.db2.gz SCDXOWRTQHAWSZ-HOCLYGCPSA-N 1 2 358.360 2.260 40 0 FEABLO Cn1cccc1C(=O)N1CCC[C@@H]1c1ccnc(C[NH+]2CCOCC2)c1 ZINC000257338359 223070320 /nfs/dbraw/zinc/07/03/20/223070320.db2.gz YXAICEKYNOCFAT-GOSISDBHSA-N 1 2 354.454 2.230 40 0 FEABLO O=C(c1cccnc1)N1CCC[C@@H]1c1ccnc(C[NH+]2CCOCC2)c1 ZINC000257344741 223073521 /nfs/dbraw/zinc/07/35/21/223073521.db2.gz ZYMPZCHPLNDYFQ-LJQANCHMSA-N 1 2 352.438 2.286 40 0 FEABLO OCCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328982765 223127819 /nfs/dbraw/zinc/12/78/19/223127819.db2.gz HBRIOMQGZLOZGQ-UHFFFAOYSA-N 1 2 356.376 2.282 40 0 FEABLO Cc1ncsc1C(=O)N1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355418 541801139 /nfs/dbraw/zinc/80/11/39/541801139.db2.gz FAOGZZKYMUUJNQ-ZDUSSCGKSA-N 1 2 354.439 2.447 40 0 FEABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 ZINC000072379188 541802738 /nfs/dbraw/zinc/80/27/38/541802738.db2.gz ZTYGDSNRZIXUAH-HNNXBMFYSA-N 1 2 363.487 2.334 40 0 FEABLO OCc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)o1 ZINC000015674916 220158823 /nfs/dbraw/zinc/15/88/23/220158823.db2.gz CMTLKPFJQINTHV-CJNGLKHVSA-N 1 2 359.357 2.269 40 0 biogenic,in-vitro FEABLO OCc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)o1 ZINC000015674916 220158825 /nfs/dbraw/zinc/15/88/25/220158825.db2.gz CMTLKPFJQINTHV-CJNGLKHVSA-N 1 2 359.357 2.269 40 0 biogenic,in-vitro FEABLO O=C(/C=C/c1ccccc1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000019229467 220240365 /nfs/dbraw/zinc/24/03/65/220240365.db2.gz HCWPORNPJZRLPC-SGWGQVFISA-N 1 2 366.461 2.284 40 0 FEABLO CCc1ccc(OCc2nnc(SCC[NH+]3CCOCC3)n2C)cc1 ZINC000019522911 220266498 /nfs/dbraw/zinc/26/64/98/220266498.db2.gz UXAJHRCKYSVPNL-UHFFFAOYSA-N 1 2 362.499 2.381 40 0 FEABLO CCN(CC)c1ncc(C[N@@H+]2CCO[C@@H](C(=O)NC3CCCC3)C2)s1 ZINC000019750380 220294057 /nfs/dbraw/zinc/29/40/57/220294057.db2.gz XZVRNBDLBHEVBY-MRXNPFEDSA-N 1 2 366.531 2.249 40 0 FEABLO CCN(CC)c1ncc(C[N@H+]2CCO[C@@H](C(=O)NC3CCCC3)C2)s1 ZINC000019750380 220294060 /nfs/dbraw/zinc/29/40/60/220294060.db2.gz XZVRNBDLBHEVBY-MRXNPFEDSA-N 1 2 366.531 2.249 40 0 FEABLO CNc1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)nc2c1C[N@H+](C)CC2 ZINC000257315877 533087223 /nfs/dbraw/zinc/08/72/23/533087223.db2.gz VDBQHOGBCSZPJK-OAHLLOKOSA-N 1 2 351.454 2.136 40 0 FEABLO CNc1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257315877 533087232 /nfs/dbraw/zinc/08/72/32/533087232.db2.gz VDBQHOGBCSZPJK-OAHLLOKOSA-N 1 2 351.454 2.136 40 0 FEABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)C1 ZINC000054670811 221055403 /nfs/dbraw/zinc/05/54/03/221055403.db2.gz VLHSMISNEYPXOI-IUODEOHRSA-N 1 2 364.829 2.247 40 0 FEABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)C1 ZINC000054670811 221055404 /nfs/dbraw/zinc/05/54/04/221055404.db2.gz VLHSMISNEYPXOI-IUODEOHRSA-N 1 2 364.829 2.247 40 0 FEABLO COc1cccc(CNc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)c1 ZINC000329042543 533485593 /nfs/dbraw/zinc/48/55/93/533485593.db2.gz SNHQSOKSJCGCKT-OAHLLOKOSA-N 1 2 364.449 2.401 40 0 FEABLO O=C1C[C@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1cccc(F)c1 ZINC000101274272 132233822 /nfs/dbraw/zinc/23/38/22/132233822.db2.gz YKNMGHPFYVQIRA-SFHVURJKSA-N 1 2 353.397 2.280 40 0 FEABLO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@H](CO)C(C)C)[nH+]cn1)C2 ZINC000328984943 132372142 /nfs/dbraw/zinc/37/21/42/132372142.db2.gz HRAWMGBKZFEAJQ-QGZVFWFLSA-N 1 2 370.453 2.255 40 0 FEABLO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@H](CO)C(C)C)nc[nH+]1)C2 ZINC000328984943 132372143 /nfs/dbraw/zinc/37/21/43/132372143.db2.gz HRAWMGBKZFEAJQ-QGZVFWFLSA-N 1 2 370.453 2.255 40 0 FEABLO O=C(NCC1CCOCC1)[C@H]1CN(Cc2ccsc2)Cc2c[nH+]cn21 ZINC000247459443 549336627 /nfs/dbraw/zinc/33/66/27/549336627.db2.gz AGWWSPASGXWSJH-QGZVFWFLSA-N 1 2 360.483 2.044 40 0 FEABLO Cn1ccnc1C[N@@H+]1CCOC[C@@]2(C[C@H](CNc3ccccc3)CO2)C1 ZINC000096240414 222095250 /nfs/dbraw/zinc/09/52/50/222095250.db2.gz OWJVHMMTWBUSTI-YLJYHZDGSA-N 1 2 356.470 2.140 40 0 FEABLO Cn1ccnc1C[N@H+]1CCOC[C@@]2(C[C@H](CNc3ccccc3)CO2)C1 ZINC000096240414 222095254 /nfs/dbraw/zinc/09/52/54/222095254.db2.gz OWJVHMMTWBUSTI-YLJYHZDGSA-N 1 2 356.470 2.140 40 0 FEABLO Cn1cc[nH+]c1CN1CCOC[C@@]2(C[C@H](CNc3ccccc3)CO2)C1 ZINC000096240414 222095257 /nfs/dbraw/zinc/09/52/57/222095257.db2.gz OWJVHMMTWBUSTI-YLJYHZDGSA-N 1 2 356.470 2.140 40 0 FEABLO Cc1cnc(C(=O)N2CCC[C@]3(C[C@@H](Nc4cccc[nH+]4)CO3)C2)cn1 ZINC000096222951 222085628 /nfs/dbraw/zinc/08/56/28/222085628.db2.gz USKMZEFTNSHLLM-BEFAXECRSA-N 1 2 353.426 2.056 40 0 FEABLO O=C(Cc1ccccn1)N1CCC2(C[C@@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221313 222085818 /nfs/dbraw/zinc/08/58/18/222085818.db2.gz VMQVOYGYTLGNBY-QGZVFWFLSA-N 1 2 352.438 2.281 40 0 FEABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCO)n2)cc1OC ZINC000329022568 534024741 /nfs/dbraw/zinc/02/47/41/534024741.db2.gz ONCDRLASXJEPOV-UHFFFAOYSA-N 1 2 366.421 2.152 40 0 FEABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](Cc2cc(Nc3cnccn3)ncn2)C1 ZINC000257296698 534853772 /nfs/dbraw/zinc/85/37/72/534853772.db2.gz RDZXDIIHBVFMFU-HNNXBMFYSA-N 1 2 364.457 2.496 40 0 FEABLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](Cc2cc(Nc3cnccn3)ncn2)C1 ZINC000257296698 534853778 /nfs/dbraw/zinc/85/37/78/534853778.db2.gz RDZXDIIHBVFMFU-HNNXBMFYSA-N 1 2 364.457 2.496 40 0 FEABLO CC(C)Cc1cc(C(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)on1 ZINC000257320464 535336972 /nfs/dbraw/zinc/33/69/72/535336972.db2.gz VWXTXAZBJGDTKB-LJQANCHMSA-N 1 2 358.442 2.029 40 0 FEABLO O=C(CO[C@H]1CCOC2(C[NH+](Cc3cccc(F)c3)C2)C1)N1CCCC1 ZINC000247741058 549376374 /nfs/dbraw/zinc/37/63/74/549376374.db2.gz NZTRGWLRLGSMHJ-SFHVURJKSA-N 1 2 362.445 2.198 40 0 FEABLO O=C([C@@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21)N1CCCCO1 ZINC000247805368 549382289 /nfs/dbraw/zinc/38/22/89/549382289.db2.gz AQAJMVJZTZUKHI-IBGZPJMESA-N 1 2 370.453 2.011 40 0 FEABLO O=C([C@@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21)N1CCCCO1 ZINC000247805368 549382292 /nfs/dbraw/zinc/38/22/92/549382292.db2.gz AQAJMVJZTZUKHI-IBGZPJMESA-N 1 2 370.453 2.011 40 0 FEABLO Cn1cnc2c1[C@H](C(=O)N1CCC1)C[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC000248035269 549401629 /nfs/dbraw/zinc/40/16/29/549401629.db2.gz MMTLUMPFLUGFFY-MRXNPFEDSA-N 1 2 374.872 2.284 40 0 FEABLO Cn1cnc2c1[C@H](C(=O)N1CCC1)C[N@@H+](CCOc1ccc(Cl)cc1)C2 ZINC000248035269 549401633 /nfs/dbraw/zinc/40/16/33/549401633.db2.gz MMTLUMPFLUGFFY-MRXNPFEDSA-N 1 2 374.872 2.284 40 0 FEABLO Cc1cccc(COC[C@H]2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2cnn(C)c2)n1 ZINC000248124925 549408232 /nfs/dbraw/zinc/40/82/32/549408232.db2.gz LJYIVGUFZUYVMG-DBVUQKKJSA-N 1 2 356.470 2.320 40 0 FEABLO Cc1cccc(COC[C@H]2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2cnn(C)c2)n1 ZINC000248124925 549408234 /nfs/dbraw/zinc/40/82/34/549408234.db2.gz LJYIVGUFZUYVMG-DBVUQKKJSA-N 1 2 356.470 2.320 40 0 FEABLO CCOC[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)Cc2c[nH+]cn21 ZINC000253380504 549684776 /nfs/dbraw/zinc/68/47/76/549684776.db2.gz AVOPEBLQDKDARY-INIZCTEOSA-N 1 2 357.410 2.278 40 0 FEABLO Cc1ccc(C[NH+]2CC3(C2)CC[C@H](CNS(=O)(=O)C2CC2)CO3)s1 ZINC000585103288 571223545 /nfs/dbraw/zinc/22/35/45/571223545.db2.gz APBPMUKTEPMLKF-CQSZACIVSA-N 1 2 370.540 2.119 40 0 FEABLO O=C(NCC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21)c1cnccn1 ZINC000585112370 571226020 /nfs/dbraw/zinc/22/60/20/571226020.db2.gz OBYFSNUCOCVHTN-OAHLLOKOSA-N 1 2 368.466 2.112 40 0 FEABLO O=C(NCC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21)c1cnccn1 ZINC000585112370 571226021 /nfs/dbraw/zinc/22/60/21/571226021.db2.gz OBYFSNUCOCVHTN-OAHLLOKOSA-N 1 2 368.466 2.112 40 0 FEABLO COc1cccc(C[N@H+]2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)c1 ZINC000585112412 571226101 /nfs/dbraw/zinc/22/61/01/571226101.db2.gz PHOQPLLUKZDFSY-GOSISDBHSA-N 1 2 354.454 2.461 40 0 FEABLO COc1cccc(C[N@@H+]2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)c1 ZINC000585112412 571226102 /nfs/dbraw/zinc/22/61/02/571226102.db2.gz PHOQPLLUKZDFSY-GOSISDBHSA-N 1 2 354.454 2.461 40 0 FEABLO COc1ncc(C2(O)CC[NH+](Cc3c(F)cccc3F)CC2)c(OC)n1 ZINC000012186352 539548875 /nfs/dbraw/zinc/54/88/75/539548875.db2.gz DYVYVZGPDPNPSH-UHFFFAOYSA-N 1 2 365.380 2.256 40 0 FEABLO COc1ccc([C@H](NC(=O)c2ccncc2)c2[nH+]ccn2C)cc1OC ZINC000012221709 539550719 /nfs/dbraw/zinc/55/07/19/539550719.db2.gz QBLZXETYAFSFGP-KRWDZBQOSA-N 1 2 352.394 2.352 40 0 FEABLO CC(=O)N1c2ccccc2[C@@]2(NC(=[NH2+])N=C3Sc4ccccc4N32)C1=O ZINC000017074729 539639230 /nfs/dbraw/zinc/63/92/30/539639230.db2.gz QOFXXCGSXHCQBY-SFHVURJKSA-N 1 2 363.402 2.029 40 0 FEABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2F)C3)C[C@H](C)O1 ZINC000019497606 539658419 /nfs/dbraw/zinc/65/84/19/539658419.db2.gz ZSWSHDIFVDAKBP-OKILXGFUSA-N 1 2 372.444 2.081 40 0 FEABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2F)C3)C[C@H](C)O1 ZINC000019497606 539658422 /nfs/dbraw/zinc/65/84/22/539658422.db2.gz ZSWSHDIFVDAKBP-OKILXGFUSA-N 1 2 372.444 2.081 40 0 FEABLO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC000257233910 223031092 /nfs/dbraw/zinc/03/10/92/223031092.db2.gz GRHPOJMIOIBFOE-CQSZACIVSA-N 1 2 356.455 2.225 40 0 FEABLO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCC[N@H+]1Cc1cncs1 ZINC000257233910 223031093 /nfs/dbraw/zinc/03/10/93/223031093.db2.gz GRHPOJMIOIBFOE-CQSZACIVSA-N 1 2 356.455 2.225 40 0 FEABLO COc1ncccc1C(=O)N1CCC2(CC(Nc3cc(C)[nH+]cn3)C2)C1 ZINC000257311616 223061664 /nfs/dbraw/zinc/06/16/64/223061664.db2.gz UKHXVMVPEUFAGS-UHFFFAOYSA-N 1 2 353.426 2.295 40 0 FEABLO O=S(=O)(NC[C@@H]1CCc2[nH+]cc(-c3ccncc3)n21)c1ccccc1 ZINC000306126853 223107683 /nfs/dbraw/zinc/10/76/83/223107683.db2.gz FHFFKCCOQIFBJU-HNNXBMFYSA-N 1 2 354.435 2.411 40 0 FEABLO CCn1cc(C[NH+]2CC3(C2)C[C@H](CCOc2cncc(C)n2)CCO3)cn1 ZINC000306130016 223108901 /nfs/dbraw/zinc/10/89/01/223108901.db2.gz ITZJFQRXWXRFJC-QGZVFWFLSA-N 1 2 371.485 2.452 40 0 FEABLO CCn1cc(C[NH+]2CC3(C2)OCC[C@H]3CCNc2ncc(C)cn2)cn1 ZINC000306130209 223108910 /nfs/dbraw/zinc/10/89/10/223108910.db2.gz IZDYXIYXONRTNM-QGZVFWFLSA-N 1 2 356.474 2.095 40 0 FEABLO Cn1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306137942 223111004 /nfs/dbraw/zinc/11/10/04/223111004.db2.gz RKNQIDSOFXLOGS-HKUYNNGSSA-N 1 2 369.446 2.435 40 0 FEABLO Cn1cc(C[N@H+]2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306137942 223111007 /nfs/dbraw/zinc/11/10/07/223111007.db2.gz RKNQIDSOFXLOGS-HKUYNNGSSA-N 1 2 369.446 2.435 40 0 FEABLO OCCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328975439 223127232 /nfs/dbraw/zinc/12/72/32/223127232.db2.gz FKKYEDBREXFDBS-UHFFFAOYSA-N 1 2 355.225 2.358 40 0 FEABLO CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3CCCN3C=O)c[nH+]2)CC1 ZINC000072216390 541795805 /nfs/dbraw/zinc/79/58/05/541795805.db2.gz JLZMNXXCEBOVFX-MRXNPFEDSA-N 1 2 360.458 2.432 40 0 FEABLO Cc1[nH+]c([C@@H]2CCCN(C(=O)[C@@H](C)Cn3cncn3)C2)c2sccn12 ZINC000019240724 220244045 /nfs/dbraw/zinc/24/40/45/220244045.db2.gz VZFYAWDPJGQWDT-GXTWGEPZSA-N 1 2 358.471 2.338 40 0 FEABLO COc1cccc(OCCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000075503894 542182968 /nfs/dbraw/zinc/18/29/68/542182968.db2.gz QIZHBGCVYPQSDD-UHFFFAOYSA-N 1 2 370.449 2.336 40 0 FEABLO CC(C)NC(=O)C[N@@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019449894 220258244 /nfs/dbraw/zinc/25/82/44/220258244.db2.gz BUPRYELXRASVPV-CYBMUJFWSA-N 1 2 351.834 2.409 40 0 FEABLO CC(C)NC(=O)C[N@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019449894 220258247 /nfs/dbraw/zinc/25/82/47/220258247.db2.gz BUPRYELXRASVPV-CYBMUJFWSA-N 1 2 351.834 2.409 40 0 FEABLO COc1cccc(C(=O)N2CCc3nnc([C@@H]4CCCC[N@@H+]4C)n3CC2)c1 ZINC000019706166 220285771 /nfs/dbraw/zinc/28/57/71/220285771.db2.gz DBEDDZFJUFAQQY-KRWDZBQOSA-N 1 2 369.469 2.142 40 0 FEABLO COc1cccc(C(=O)N2CCc3nnc([C@@H]4CCCC[N@H+]4C)n3CC2)c1 ZINC000019706166 220285775 /nfs/dbraw/zinc/28/57/75/220285775.db2.gz DBEDDZFJUFAQQY-KRWDZBQOSA-N 1 2 369.469 2.142 40 0 FEABLO [NH3+][C@H](CCC[C@@]([NH3+])(C(=O)[O-])C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000085479278 542729143 /nfs/dbraw/zinc/72/91/43/542729143.db2.gz KCERZKANANQKNA-UZLBHIALSA-N 1 2 354.406 2.032 40 0 FEABLO C[C@H]1CCCCN1c1ccc(NC(=S)NCC[NH+]2CCOCC2)cn1 ZINC000223893409 132280502 /nfs/dbraw/zinc/28/05/02/132280502.db2.gz ZUCNXVZVMKJPFU-HNNXBMFYSA-N 1 2 363.531 2.079 40 0 FEABLO Cc1cccc(N2CCC[C@H](N(C)C(=O)c3ccc4[nH]nnc4c3)C2)[nH+]1 ZINC000257257708 132296081 /nfs/dbraw/zinc/29/60/81/132296081.db2.gz KQUJBBKPFPOTTJ-HNNXBMFYSA-N 1 2 350.426 2.402 40 0 FEABLO O=C(c1cccnc1)N1CCC[C@@]2(C1)COCCN(c1cccc[nH+]1)C2 ZINC000096076777 222013316 /nfs/dbraw/zinc/01/33/16/222013316.db2.gz RQCZJJZGXHAKRV-HXUWFJFHSA-N 1 2 352.438 2.236 40 0 FEABLO O=C1C[C@@]2(CCN(c3cccc[nH+]3)C2)CN1c1ccc2c(c1)OCCO2 ZINC000096239080 222094116 /nfs/dbraw/zinc/09/41/16/222094116.db2.gz YCYSDCKUTYRFNC-HXUWFJFHSA-N 1 2 351.406 2.486 40 0 FEABLO Cc1cc(=O)n2[nH]c(C3CCN(C(=O)C[C@H](C)n4cc[nH+]c4)CC3)cc2n1 ZINC000100137499 222235930 /nfs/dbraw/zinc/23/59/30/222235930.db2.gz BFWDEFLRHLDYRX-AWEZNQCLSA-N 1 2 368.441 2.297 40 0 FEABLO Cc1nc2ccccc2n1CCC(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257287230 534676128 /nfs/dbraw/zinc/67/61/28/534676128.db2.gz PPCQQQDCHLBSCP-QWFCFKBJSA-N 1 2 367.453 2.154 40 0 FEABLO O=C(Cc1cccc(F)c1)N1C[C@H]2OC[C@@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306142219 534728616 /nfs/dbraw/zinc/72/86/16/534728616.db2.gz WTPMXYUYKMZXHY-KBAYOESNSA-N 1 2 355.413 2.349 40 0 FEABLO COc1ccccc1C[N@H+]1Cc2ccnn2[C@@H](CCN2CCCC2=O)C1 ZINC000248115423 549407228 /nfs/dbraw/zinc/40/72/28/549407228.db2.gz AVTRDGZHIMWYOV-SFHVURJKSA-N 1 2 354.454 2.461 40 0 FEABLO COc1ccccc1C[N@@H+]1Cc2ccnn2[C@@H](CCN2CCCC2=O)C1 ZINC000248115423 549407231 /nfs/dbraw/zinc/40/72/31/549407231.db2.gz AVTRDGZHIMWYOV-SFHVURJKSA-N 1 2 354.454 2.461 40 0 FEABLO CO[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CC[C@@H]1Cc1cccc(C)c1 ZINC000585290917 570496397 /nfs/dbraw/zinc/49/63/97/570496397.db2.gz ITYPFHKSWYMCCE-WJCJLTOMSA-N 1 2 372.509 2.289 40 0 FEABLO Cc1cccnc1C[N@@H+]1Cc2ccnn2CC[C@H]1CNC(=O)CC1CC1 ZINC000585097828 571220592 /nfs/dbraw/zinc/22/05/92/571220592.db2.gz RLVKHNLTTHLBFQ-KRWDZBQOSA-N 1 2 353.470 2.277 40 0 FEABLO Cc1cccnc1C[N@H+]1Cc2ccnn2CC[C@H]1CNC(=O)CC1CC1 ZINC000585097828 571220595 /nfs/dbraw/zinc/22/05/95/571220595.db2.gz RLVKHNLTTHLBFQ-KRWDZBQOSA-N 1 2 353.470 2.277 40 0 FEABLO COc1cc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCCC4)nc3C2)ccc1O ZINC000019550085 539659959 /nfs/dbraw/zinc/65/99/59/539659959.db2.gz BNSAAEKLDDJXLF-UHFFFAOYSA-N 1 2 370.453 2.033 40 0 FEABLO COc1cc(C[N@H+]2CCc3c(=O)[nH]c(N4CCCCC4)nc3C2)ccc1O ZINC000019550085 539659965 /nfs/dbraw/zinc/65/99/65/539659965.db2.gz BNSAAEKLDDJXLF-UHFFFAOYSA-N 1 2 370.453 2.033 40 0 FEABLO CCN(CC)C(=O)C[N@@H+]1CCCC[C@H]1c1nc(C)ncc1C(=O)NC1CC1 ZINC000019766926 539669242 /nfs/dbraw/zinc/66/92/42/539669242.db2.gz HHLAWGSQFFWTDB-KRWDZBQOSA-N 1 2 373.501 2.073 40 0 FEABLO CCN(CC)C(=O)C[N@H+]1CCCC[C@H]1c1nc(C)ncc1C(=O)NC1CC1 ZINC000019766926 539669245 /nfs/dbraw/zinc/66/92/45/539669245.db2.gz HHLAWGSQFFWTDB-KRWDZBQOSA-N 1 2 373.501 2.073 40 0 FEABLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCn1nc(C(F)(F)F)cc1C1CC1 ZINC000026533219 539788873 /nfs/dbraw/zinc/78/88/73/539788873.db2.gz NRDXCSDBCDQARZ-LBPRGKRZSA-N 1 2 374.407 2.006 40 0 FEABLO CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000030848198 539891803 /nfs/dbraw/zinc/89/18/03/539891803.db2.gz KDMLVEDWNCZBDM-UHFFFAOYSA-N 1 2 370.434 2.174 40 0 FEABLO COCCOc1ncccc1-c1noc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000035425028 539982433 /nfs/dbraw/zinc/98/24/33/539982433.db2.gz FUQSJYHDKRYKEM-AWEZNQCLSA-N 1 2 370.413 2.217 40 0 biogenic,in-vitro FEABLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(C(=O)Nc3cnccn3)n2)cn1 ZINC000257240297 223033830 /nfs/dbraw/zinc/03/38/30/223033830.db2.gz HSXIKYKJVFWQGE-QGZVFWFLSA-N 1 2 363.425 2.195 40 0 FEABLO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccc(C(=O)Nc3cnccn3)n2)cn1 ZINC000257240297 223033834 /nfs/dbraw/zinc/03/38/34/223033834.db2.gz HSXIKYKJVFWQGE-QGZVFWFLSA-N 1 2 363.425 2.195 40 0 FEABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)s1 ZINC000257271459 223046173 /nfs/dbraw/zinc/04/61/73/223046173.db2.gz MYKRVMFFWXPFLG-KRWDZBQOSA-N 1 2 368.466 2.459 40 0 FEABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)s1 ZINC000257271459 223046176 /nfs/dbraw/zinc/04/61/76/223046176.db2.gz MYKRVMFFWXPFLG-KRWDZBQOSA-N 1 2 368.466 2.459 40 0 FEABLO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000257303124 223058132 /nfs/dbraw/zinc/05/81/32/223058132.db2.gz SFWGXAXHPQLHIZ-CYBMUJFWSA-N 1 2 371.466 2.295 40 0 FEABLO Cc1c[nH]nc1C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000257337960 223070365 /nfs/dbraw/zinc/07/03/65/223070365.db2.gz YVFQEXBCMUQBOV-OAHLLOKOSA-N 1 2 350.426 2.394 40 0 FEABLO OCCNc1nc(NCc2ccc(Cl)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329071208 223132717 /nfs/dbraw/zinc/13/27/17/223132717.db2.gz ZNSWTZATGJLSQU-UHFFFAOYSA-N 1 2 355.829 2.052 40 0 FEABLO CNc1cc([C@@H]2CCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)cc[nH+]1 ZINC000257231525 533052588 /nfs/dbraw/zinc/05/25/88/533052588.db2.gz GHDFHVLWQPLFGG-MRXNPFEDSA-N 1 2 353.426 2.497 40 0 FEABLO CNc1cc([C@@H]2CCCN2C(=O)Cn2c3ccccc3oc2=O)cc[nH+]1 ZINC000257306776 533053311 /nfs/dbraw/zinc/05/33/11/533053311.db2.gz SVVDJUYMLSIWAK-AWEZNQCLSA-N 1 2 352.394 2.395 40 0 FEABLO CNc1cc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)ccn1 ZINC000019662575 220283092 /nfs/dbraw/zinc/28/30/92/220283092.db2.gz UVRRTJVQTXMEKE-GOSISDBHSA-N 1 2 354.454 2.235 40 0 FEABLO Cc1ccccc1N1C[C@]2(COCC[N@H+](Cc3ccccn3)C2)OCC1=O ZINC000096240105 132223631 /nfs/dbraw/zinc/22/36/31/132223631.db2.gz OSTMFAMYMYGTDN-OAQYLSRUSA-N 1 2 367.449 2.024 40 0 FEABLO Cc1ccccc1N1C[C@]2(COCC[N@@H+](Cc3ccccn3)C2)OCC1=O ZINC000096240105 132223632 /nfs/dbraw/zinc/22/36/32/132223632.db2.gz OSTMFAMYMYGTDN-OAQYLSRUSA-N 1 2 367.449 2.024 40 0 FEABLO Cc1ccc(C(=O)N2CCN(c3ccc([NH3+])cc3-n3cnnc3)CC2)cc1 ZINC000070461828 136138388 /nfs/dbraw/zinc/13/83/88/136138388.db2.gz WIDORGKBETYZBG-UHFFFAOYSA-N 1 2 362.437 2.120 40 0 FEABLO COc1cccc(NCc2n[nH]c([C@@H]([NH3+])c3ccc(OC)c(OC)c3)n2)c1 ZINC000095533837 542982983 /nfs/dbraw/zinc/98/29/83/542982983.db2.gz WFJIJCGVRGUUAJ-SFHVURJKSA-N 1 2 369.425 2.491 40 0 FEABLO COc1cccc(NCc2nnc([C@@H]([NH3+])c3ccc(OC)c(OC)c3)[nH]2)c1 ZINC000095533837 542982986 /nfs/dbraw/zinc/98/29/86/542982986.db2.gz WFJIJCGVRGUUAJ-SFHVURJKSA-N 1 2 369.425 2.491 40 0 FEABLO COc1cccc(NCc2nc([C@@H]([NH3+])c3ccc(OC)c(OC)c3)n[nH]2)c1 ZINC000095533837 542982987 /nfs/dbraw/zinc/98/29/87/542982987.db2.gz WFJIJCGVRGUUAJ-SFHVURJKSA-N 1 2 369.425 2.491 40 0 FEABLO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000112543659 543450973 /nfs/dbraw/zinc/45/09/73/543450973.db2.gz BIRCVMIMKOFNFQ-SFHVURJKSA-N 1 2 369.465 2.372 40 0 FEABLO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000112543659 543450974 /nfs/dbraw/zinc/45/09/74/543450974.db2.gz BIRCVMIMKOFNFQ-SFHVURJKSA-N 1 2 369.465 2.372 40 0 FEABLO Fc1ccc(C[N@@H+]2CCO[C@]3(C2)COCCN(Cc2ccncc2)C3)cc1 ZINC000096049837 222000870 /nfs/dbraw/zinc/00/08/70/222000870.db2.gz OMYZCDMXYWWKKC-OAQYLSRUSA-N 1 2 371.456 2.324 40 0 FEABLO Fc1ccc(C[N@H+]2CCO[C@]3(C2)COCCN(Cc2ccncc2)C3)cc1 ZINC000096049837 222000874 /nfs/dbraw/zinc/00/08/74/222000874.db2.gz OMYZCDMXYWWKKC-OAQYLSRUSA-N 1 2 371.456 2.324 40 0 FEABLO Cn1c(C(=O)NCc2cccnc2)nc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000096147096 222049175 /nfs/dbraw/zinc/04/91/75/222049175.db2.gz PWGSZSIWLKCSBZ-UHFFFAOYSA-N 1 2 361.449 2.303 40 0 FEABLO Cn1c(C(=O)NCc2cccnc2)nc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000096147096 222049181 /nfs/dbraw/zinc/04/91/81/222049181.db2.gz PWGSZSIWLKCSBZ-UHFFFAOYSA-N 1 2 361.449 2.303 40 0 FEABLO O=C(Cc1ccco1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC000096209210 222077638 /nfs/dbraw/zinc/07/76/38/222077638.db2.gz ZFSAFXMUIXBCNW-HNNXBMFYSA-N 1 2 352.394 2.151 40 0 FEABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCO)n2)cc1F ZINC000329006327 534025802 /nfs/dbraw/zinc/02/58/02/534025802.db2.gz LDGXIYCLBXLYJB-UHFFFAOYSA-N 1 2 354.385 2.283 40 0 FEABLO Cc1noc(C)c1C[NH+]1CC2(C1)OCC[C@H]2CCNC(=O)N1CCCC1 ZINC000306140554 534352414 /nfs/dbraw/zinc/35/24/14/534352414.db2.gz UXEHFOPWZJWZAO-MRXNPFEDSA-N 1 2 362.474 2.078 40 0 FEABLO CS(=O)(=O)Nc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000020495601 525224343 /nfs/dbraw/zinc/22/43/43/525224343.db2.gz ASXFQISLJMUWBO-UHFFFAOYSA-N 1 2 370.434 2.174 40 0 FEABLO CCCn1cc[nH+]c1CN1CCC[C@H]1c1nc(C)ncc1CNC(C)=O ZINC000257255103 528867870 /nfs/dbraw/zinc/86/78/70/528867870.db2.gz KGDHLYWJEOEDPL-KRWDZBQOSA-N 1 2 356.474 2.365 40 0 FEABLO O=S(=O)(c1ccccc1)N1CC2(C1)OCC[C@H]2CCNc1cccc[nH+]1 ZINC000247305071 549314573 /nfs/dbraw/zinc/31/45/73/549314573.db2.gz GNSZUIOGIVYPAH-MRXNPFEDSA-N 1 2 373.478 2.363 40 0 FEABLO O=C([C@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21)N1CCCCO1 ZINC000247805369 549382245 /nfs/dbraw/zinc/38/22/45/549382245.db2.gz AQAJMVJZTZUKHI-LJQANCHMSA-N 1 2 370.453 2.011 40 0 FEABLO O=C([C@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21)N1CCCCO1 ZINC000247805369 549382248 /nfs/dbraw/zinc/38/22/48/549382248.db2.gz AQAJMVJZTZUKHI-LJQANCHMSA-N 1 2 370.453 2.011 40 0 FEABLO COc1ccc(C[NH+]2CC3(C2)C[C@H](OCC(=O)N2CCCC2)CCO3)cc1 ZINC000247913304 549390580 /nfs/dbraw/zinc/39/05/80/549390580.db2.gz VFDVESZCUQDAKI-LJQANCHMSA-N 1 2 374.481 2.068 40 0 FEABLO Cc1ccc(OC[C@]2(O)CCCN(C(=O)CCCn3cc[nH+]c3)C2)cc1 ZINC000585271311 570485516 /nfs/dbraw/zinc/48/55/16/570485516.db2.gz GAKFUURPTWJSHD-FQEVSTJZSA-N 1 2 357.454 2.404 40 0 FEABLO COCC[C@@H]1CCOC12CC[NH+](Cc1ccc(S(C)(=O)=O)cc1)CC2 ZINC000585104748 571224192 /nfs/dbraw/zinc/22/41/92/571224192.db2.gz LXDDAFKUSXMNMU-QGZVFWFLSA-N 1 2 367.511 2.498 40 0 FEABLO COc1ncccc1C[N@H+]1Cc2cccn2C[C@H](Oc2ncccn2)C1 ZINC000585112214 571226008 /nfs/dbraw/zinc/22/60/08/571226008.db2.gz NABNUFZBUWTCKM-QGZVFWFLSA-N 1 2 351.410 2.145 40 0 FEABLO COc1ncccc1C[N@@H+]1Cc2cccn2C[C@H](Oc2ncccn2)C1 ZINC000585112214 571226009 /nfs/dbraw/zinc/22/60/09/571226009.db2.gz NABNUFZBUWTCKM-QGZVFWFLSA-N 1 2 351.410 2.145 40 0 FEABLO Cc1cccc(C[N@H+]2Cc3ccnn3[C@H](CCNS(=O)(=O)C3CC3)C2)c1 ZINC000585112536 571226350 /nfs/dbraw/zinc/22/63/50/571226350.db2.gz SACYYULJRQNZSF-GOSISDBHSA-N 1 2 374.510 2.220 40 0 FEABLO Cc1cccc(C[N@@H+]2Cc3ccnn3[C@H](CCNS(=O)(=O)C3CC3)C2)c1 ZINC000585112536 571226352 /nfs/dbraw/zinc/22/63/52/571226352.db2.gz SACYYULJRQNZSF-GOSISDBHSA-N 1 2 374.510 2.220 40 0 FEABLO COc1ccc(C[N@@H+](Cc2cnc(N)nc2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187242 539548248 /nfs/dbraw/zinc/54/82/48/539548248.db2.gz ZYPALUIBKXYBKQ-KRWDZBQOSA-N 1 2 358.442 2.257 40 0 FEABLO COc1ccc(C[N@H+](Cc2cnc(N)nc2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187242 539548252 /nfs/dbraw/zinc/54/82/52/539548252.db2.gz ZYPALUIBKXYBKQ-KRWDZBQOSA-N 1 2 358.442 2.257 40 0 FEABLO Cn1cccc1C(=O)N1CCC[C@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257221128 223026829 /nfs/dbraw/zinc/02/68/29/223026829.db2.gz DNPQIUKKXISDLC-SFHVURJKSA-N 1 2 354.454 2.230 40 0 FEABLO Cn1nccc1C[N@@H+]1CCC[C@@H]1c1cccc(C(=O)Nc2cnccn2)n1 ZINC000257324633 223065672 /nfs/dbraw/zinc/06/56/72/223065672.db2.gz WPOHVXQXUIEXQN-QGZVFWFLSA-N 1 2 363.425 2.195 40 0 FEABLO Cn1nccc1C[N@H+]1CCC[C@@H]1c1cccc(C(=O)Nc2cnccn2)n1 ZINC000257324633 223065675 /nfs/dbraw/zinc/06/56/75/223065675.db2.gz WPOHVXQXUIEXQN-QGZVFWFLSA-N 1 2 363.425 2.195 40 0 FEABLO Cc1[nH+]c(C2CCN(C(=O)[C@H](C)Cn3cncn3)CC2)c2sccn12 ZINC000019240796 220243257 /nfs/dbraw/zinc/24/32/57/220243257.db2.gz DGJIGGGFJKHBPO-GFCCVEGCSA-N 1 2 358.471 2.338 40 0 FEABLO CC(C)NC(=O)C[N@@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019449896 220258606 /nfs/dbraw/zinc/25/86/06/220258606.db2.gz BUPRYELXRASVPV-ZDUSSCGKSA-N 1 2 351.834 2.409 40 0 FEABLO CC(C)NC(=O)C[N@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019449896 220258610 /nfs/dbraw/zinc/25/86/10/220258610.db2.gz BUPRYELXRASVPV-ZDUSSCGKSA-N 1 2 351.834 2.409 40 0 FEABLO Cc1nn(C(C)C)cc1S(=O)(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000019583285 220276740 /nfs/dbraw/zinc/27/67/40/220276740.db2.gz UPLATAWRDUIDHU-UHFFFAOYSA-N 1 2 363.487 2.068 40 0 FEABLO COc1cccc(OC[C@@H]2CCC[N@H+](CC(=O)Nc3cnn(C)c3C)C2)c1 ZINC000019658906 220283439 /nfs/dbraw/zinc/28/34/39/220283439.db2.gz PKHHMOWKDYUADH-MRXNPFEDSA-N 1 2 372.469 2.467 40 0 FEABLO COc1cccc(OC[C@@H]2CCC[N@@H+](CC(=O)Nc3cnn(C)c3C)C2)c1 ZINC000019658906 220283440 /nfs/dbraw/zinc/28/34/40/220283440.db2.gz PKHHMOWKDYUADH-MRXNPFEDSA-N 1 2 372.469 2.467 40 0 FEABLO Cc1nonc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3n2C)C1 ZINC000019715440 220287603 /nfs/dbraw/zinc/28/76/03/220287603.db2.gz FKUGQEOXBUNGSL-CYBMUJFWSA-N 1 2 354.414 2.083 40 0 FEABLO Cc1nonc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C)C1 ZINC000019715440 220287607 /nfs/dbraw/zinc/28/76/07/220287607.db2.gz FKUGQEOXBUNGSL-CYBMUJFWSA-N 1 2 354.414 2.083 40 0 FEABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000020150505 220315589 /nfs/dbraw/zinc/31/55/89/220315589.db2.gz JMAYTTKKIKIUGQ-AHXJXLJNSA-N 1 2 364.467 2.116 40 0 FEABLO Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCCC4)nc(N)c32)c1 ZINC000020800059 220341911 /nfs/dbraw/zinc/34/19/11/220341911.db2.gz LNHOKTFYQPNKNK-CYBMUJFWSA-N 1 2 366.425 2.032 40 0 FEABLO CCC(C)(C)n1nnnc1[C@@H](c1ccccc1F)[NH+]1CCC(C(N)=O)CC1 ZINC000057669962 221091770 /nfs/dbraw/zinc/09/17/70/221091770.db2.gz RGZFSAORPGMRNU-MRXNPFEDSA-N 1 2 374.464 2.244 40 0 FEABLO COc1cccc(CNc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)c1 ZINC000329042540 533485623 /nfs/dbraw/zinc/48/56/23/533485623.db2.gz SNHQSOKSJCGCKT-HNNXBMFYSA-N 1 2 364.449 2.401 40 0 FEABLO C[C@@]1(c2ncc(C[NH+]3CCN(c4ncccn4)CC3)cn2)CCCCO1 ZINC000257266690 132295879 /nfs/dbraw/zinc/29/58/79/132295879.db2.gz MEBNVEDAIUALIC-IBGZPJMESA-N 1 2 354.458 2.005 40 0 FEABLO C[C@]1(c2ncc(C[NH+]3CCN(c4ncccn4)CC3)cn2)CCCCO1 ZINC000257266691 132296019 /nfs/dbraw/zinc/29/60/19/132296019.db2.gz MEBNVEDAIUALIC-LJQANCHMSA-N 1 2 354.458 2.005 40 0 FEABLO CC[C@@H](c1nnnn1CCOC)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669978 136129785 /nfs/dbraw/zinc/12/97/85/136129785.db2.gz SNCXJOWIHTWRLA-KRWDZBQOSA-N 1 2 358.490 2.210 40 0 FEABLO COc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)cn1 ZINC000096112160 222030054 /nfs/dbraw/zinc/03/00/54/222030054.db2.gz QUFARTTXVHATAJ-HIFRSBDPSA-N 1 2 357.389 2.101 40 0 biogenic,in-vitro FEABLO COc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)cn1 ZINC000096112160 222030057 /nfs/dbraw/zinc/03/00/57/222030057.db2.gz QUFARTTXVHATAJ-HIFRSBDPSA-N 1 2 357.389 2.101 40 0 biogenic,in-vitro FEABLO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2nccn2C)CC3)n1 ZINC000096075436 222014411 /nfs/dbraw/zinc/01/44/11/222014411.db2.gz VHAWTDZKSZGJOB-UHFFFAOYSA-N 1 2 353.470 2.281 40 0 FEABLO O=C(c1cscn1)N1CCc2[nH+]c(N3CCCC3)nc(NC3CC3)c2C1 ZINC000096254115 222102353 /nfs/dbraw/zinc/10/23/53/222102353.db2.gz FAZQDMJBAXDGRZ-UHFFFAOYSA-N 1 2 370.482 2.306 40 0 FEABLO COc1cccc(CCNC(=O)[C@H]2c3c(ncn3C)CC[N@@H+]2C(C)C)c1 ZINC000096147152 222048498 /nfs/dbraw/zinc/04/84/98/222048498.db2.gz HBZSHNPTQJSJGN-LJQANCHMSA-N 1 2 356.470 2.095 40 0 FEABLO COc1cccc(CCNC(=O)[C@H]2c3c(ncn3C)CC[N@H+]2C(C)C)c1 ZINC000096147152 222048499 /nfs/dbraw/zinc/04/84/99/222048499.db2.gz HBZSHNPTQJSJGN-LJQANCHMSA-N 1 2 356.470 2.095 40 0 FEABLO CCOc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1C(C)(C)C ZINC000101370794 222271904 /nfs/dbraw/zinc/27/19/04/222271904.db2.gz KWVCQILCYXOADA-UHFFFAOYSA-O 1 2 366.507 2.367 40 0 FEABLO CS(=O)(=O)NC[C@H]1CN(Cc2cccc3ccccc32)Cc2c[nH+]cn21 ZINC000247514785 549348593 /nfs/dbraw/zinc/34/85/93/549348593.db2.gz JONMQSWCMCTRIM-SFHVURJKSA-N 1 2 370.478 2.142 40 0 FEABLO Cc1nc(C[N@@H+]2C[C@H]3OC[C@H](CNC(=O)c4ccsc4)[C@H]3C2)cs1 ZINC000306132000 534369582 /nfs/dbraw/zinc/36/95/82/534369582.db2.gz KVJVJQTUKYHRJB-NUEKZKHPSA-N 1 2 363.508 2.390 40 0 FEABLO Cc1nc(C[N@H+]2C[C@H]3OC[C@H](CNC(=O)c4ccsc4)[C@H]3C2)cs1 ZINC000306132000 534369590 /nfs/dbraw/zinc/36/95/90/534369590.db2.gz KVJVJQTUKYHRJB-NUEKZKHPSA-N 1 2 363.508 2.390 40 0 FEABLO CC(=O)N1CCC2(CC1)CN(C(=O)C1CC1)Cc1c2[nH+]c(C)n1C(C)C ZINC000306127025 526549035 /nfs/dbraw/zinc/54/90/35/526549035.db2.gz FLUSRWXJBJFYMJ-UHFFFAOYSA-N 1 2 358.486 2.405 40 0 FEABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)C3CC3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136932 528618778 /nfs/dbraw/zinc/61/87/78/528618778.db2.gz QHAHPLXIOSZUIY-UWJYYQICSA-N 1 2 370.497 2.429 40 0 FEABLO CCCCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)[C@]3(CCCO3)C2)cc1 ZINC000257242807 528680814 /nfs/dbraw/zinc/68/08/14/528680814.db2.gz IEFFCKDRUUCBQX-ICSRJNTNSA-N 1 2 362.470 2.420 40 0 FEABLO CCCCOc1ccc(NC(=O)C[N@H+]2CC[C@H](O)[C@]3(CCCO3)C2)cc1 ZINC000257242807 528680818 /nfs/dbraw/zinc/68/08/18/528680818.db2.gz IEFFCKDRUUCBQX-ICSRJNTNSA-N 1 2 362.470 2.420 40 0 FEABLO COc1cccc(C[NH+]2CC3(C2)C[C@H](OCC(=O)N2CCCC2)CCO3)c1 ZINC000247867478 549387832 /nfs/dbraw/zinc/38/78/32/549387832.db2.gz BPNHTEJOTJQIHI-LJQANCHMSA-N 1 2 374.481 2.068 40 0 FEABLO O=C(C[C@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)NCC1CCOCC1 ZINC000247876895 549388828 /nfs/dbraw/zinc/38/88/28/549388828.db2.gz UFFPGMXLTMZJBU-KRWDZBQOSA-N 1 2 374.510 2.434 40 0 FEABLO O=C(C[C@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)NCC1CCOCC1 ZINC000247876895 549388832 /nfs/dbraw/zinc/38/88/32/549388832.db2.gz UFFPGMXLTMZJBU-KRWDZBQOSA-N 1 2 374.510 2.434 40 0 FEABLO Cn1cc(C[NH+]2CC3(C2)C[C@H](CCOCC2CCOCC2)CCO3)cn1 ZINC000248138126 549410501 /nfs/dbraw/zinc/41/05/01/549410501.db2.gz PMXGGANAQQYISB-QGZVFWFLSA-N 1 2 363.502 2.234 40 0 FEABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccccc3Cl)C2=O)C1 ZINC000250704299 549643663 /nfs/dbraw/zinc/64/36/63/549643663.db2.gz VLHSMISNEYPXOI-DOMZBBRYSA-N 1 2 364.829 2.247 40 0 FEABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccccc3Cl)C2=O)C1 ZINC000250704299 549643665 /nfs/dbraw/zinc/64/36/65/549643665.db2.gz VLHSMISNEYPXOI-DOMZBBRYSA-N 1 2 364.829 2.247 40 0 FEABLO CCS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3ccc(Cl)cc3)C2)OC1 ZINC000585104777 571224049 /nfs/dbraw/zinc/22/40/49/571224049.db2.gz MFZIDJGPYOAGLI-OAHLLOKOSA-N 1 2 372.918 2.260 40 0 FEABLO CCc1[nH]c2ccc(NC(=O)Cc3c(C)nc(OC)nc3OC)cc2[nH+]1 ZINC000012147410 539547044 /nfs/dbraw/zinc/54/70/44/539547044.db2.gz UVLVAODIFGPEFG-UHFFFAOYSA-N 1 2 355.398 2.422 40 0 FEABLO CCc1nc(N2CCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)cc(C)[nH+]1 ZINC000019523152 539658759 /nfs/dbraw/zinc/65/87/59/539658759.db2.gz NBKPHUHSUWCIQN-KRWDZBQOSA-N 1 2 367.497 2.347 40 0 FEABLO C[NH+]1CCN(S(=O)(=O)[C@H](c2ccccc2)C2(O)CCCCC2)CC1 ZINC000031947021 539924191 /nfs/dbraw/zinc/92/41/91/539924191.db2.gz BYBKIQDJWSSESE-QGZVFWFLSA-N 1 2 352.500 2.000 40 0 FEABLO Cn1cc(C[NH+]2CC3(C2)C[C@@H](CCOCc2ccncc2)CCO3)cn1 ZINC000248153392 222964375 /nfs/dbraw/zinc/96/43/75/222964375.db2.gz UYJZDZPBYWIJPN-KRWDZBQOSA-N 1 2 356.470 2.403 40 0 FEABLO Cn1cccc1C(=O)N1CCC[C@@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257276196 223046654 /nfs/dbraw/zinc/04/66/54/223046654.db2.gz NSTFDVRJGZSQSE-GOSISDBHSA-N 1 2 354.454 2.230 40 0 FEABLO CN(C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000306141935 223112903 /nfs/dbraw/zinc/11/29/03/223112903.db2.gz WKRJVELBCRTTDA-MRXNPFEDSA-N 1 2 352.442 2.193 40 0 FEABLO CN(C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000306141935 223112906 /nfs/dbraw/zinc/11/29/06/223112906.db2.gz WKRJVELBCRTTDA-MRXNPFEDSA-N 1 2 352.442 2.193 40 0 FEABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@H+](Cc4ccoc4)C[C@H]2S3(=O)=O)cn1 ZINC000306142110 223113281 /nfs/dbraw/zinc/11/32/81/223113281.db2.gz WPTPLYHQMNHJMP-IEBWSBKVSA-N 1 2 369.446 2.435 40 0 FEABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@@H+](Cc4ccoc4)C[C@H]2S3(=O)=O)cn1 ZINC000306142110 223113283 /nfs/dbraw/zinc/11/32/83/223113283.db2.gz WPTPLYHQMNHJMP-IEBWSBKVSA-N 1 2 369.446 2.435 40 0 FEABLO O=C(Nc1cccc(OCC[NH+]2CCOCC2)c1)c1ccn(C(F)F)n1 ZINC000072392152 541804232 /nfs/dbraw/zinc/80/42/32/541804232.db2.gz JGWFUJQTDJRHFF-UHFFFAOYSA-N 1 2 366.368 2.242 40 0 FEABLO C[N@@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)CCc1ccc(F)cc1)CC2 ZINC000072380238 541803143 /nfs/dbraw/zinc/80/31/43/541803143.db2.gz OPLVDGRRXDZNAE-QGZVFWFLSA-N 1 2 371.460 2.201 40 0 FEABLO C[N@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)CCc1ccc(F)cc1)CC2 ZINC000072380238 541803148 /nfs/dbraw/zinc/80/31/48/541803148.db2.gz OPLVDGRRXDZNAE-QGZVFWFLSA-N 1 2 371.460 2.201 40 0 FEABLO Cc1cc(N2CCN(C(=O)c3cc(=O)[nH]c(C)n3)CC2)[nH+]c2ccccc12 ZINC000019118963 220235397 /nfs/dbraw/zinc/23/53/97/220235397.db2.gz DGCATUQOOKDZJC-UHFFFAOYSA-N 1 2 363.421 2.310 40 0 FEABLO Cc1ccnn1CCC(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3C)ncc2C1 ZINC000019238485 220243455 /nfs/dbraw/zinc/24/34/55/220243455.db2.gz YMGCXWZTRCHGNY-SFHVURJKSA-N 1 2 368.485 2.113 40 0 FEABLO Cc1ccnn1CCC(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3C)ncc2C1 ZINC000019238485 220243458 /nfs/dbraw/zinc/24/34/58/220243458.db2.gz YMGCXWZTRCHGNY-SFHVURJKSA-N 1 2 368.485 2.113 40 0 FEABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cccc(Cn2cncn2)c1 ZINC000019349509 220253667 /nfs/dbraw/zinc/25/36/67/220253667.db2.gz JJICYVKBHLPDFJ-UHFFFAOYSA-N 1 2 358.405 2.442 40 0 FEABLO COC[C@H](C)NC(=O)C[N@@H+]1CCc2nc(-c3ccccc3F)sc2C1 ZINC000019719890 220291739 /nfs/dbraw/zinc/29/17/39/220291739.db2.gz HLBCAXZNRWYWDY-LBPRGKRZSA-N 1 2 363.458 2.458 40 0 FEABLO COC[C@H](C)NC(=O)C[N@H+]1CCc2nc(-c3ccccc3F)sc2C1 ZINC000019719890 220291743 /nfs/dbraw/zinc/29/17/43/220291743.db2.gz HLBCAXZNRWYWDY-LBPRGKRZSA-N 1 2 363.458 2.458 40 0 FEABLO Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2[nH+]c(N3CCCC3)nc(N)c21 ZINC000019974102 220308194 /nfs/dbraw/zinc/30/81/94/220308194.db2.gz ODAVMEZQEYEPFC-LBPRGKRZSA-N 1 2 366.425 2.032 40 0 FEABLO COCCN1C[NH+]=C2NC3(CCCCC3)n3c4ccccc4nc3N2C1 ZINC000020676447 220339172 /nfs/dbraw/zinc/33/91/72/220339172.db2.gz YGKHMMZVVMDINT-UHFFFAOYSA-N 1 2 354.458 2.296 40 0 FEABLO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000057522911 136129495 /nfs/dbraw/zinc/12/94/95/136129495.db2.gz OTRLHRLHFVZIRS-UHFFFAOYSA-N 1 2 357.385 2.315 40 0 FEABLO Cc1cccc(C(=O)N2CCN(c3ccc([NH3+])cc3-n3cnnc3)CC2)c1 ZINC000070461827 136138352 /nfs/dbraw/zinc/13/83/52/136138352.db2.gz CZHGDIBTGOXRNC-UHFFFAOYSA-N 1 2 362.437 2.120 40 0 FEABLO Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@H]2O1 ZINC000096042854 542988596 /nfs/dbraw/zinc/98/85/96/542988596.db2.gz KMHIWVDOPTXAJQ-NUEKZKHPSA-N 1 2 358.467 2.465 40 0 FEABLO Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@H]2O1 ZINC000096042854 542988600 /nfs/dbraw/zinc/98/86/00/542988600.db2.gz KMHIWVDOPTXAJQ-NUEKZKHPSA-N 1 2 358.467 2.465 40 0 FEABLO O=C(NCc1cccnc1)[C@H]1CN(Cc2ccc(F)cc2)Cc2c[nH+]cn21 ZINC000247469361 549338870 /nfs/dbraw/zinc/33/88/70/549338870.db2.gz DVTCPIZMVFAXAZ-LJQANCHMSA-N 1 2 365.412 2.291 40 0 FEABLO C[C@@H]1c2ncc(COCc3ccncc3)n2CC[N@H+]1Cc1cnn(C)c1 ZINC000096111104 222029294 /nfs/dbraw/zinc/02/92/94/222029294.db2.gz LFEGJEKPWZWSKX-OAHLLOKOSA-N 1 2 352.442 2.305 40 0 FEABLO C[C@@H]1c2ncc(COCc3ccncc3)n2CC[N@@H+]1Cc1cnn(C)c1 ZINC000096111104 222029296 /nfs/dbraw/zinc/02/92/96/222029296.db2.gz LFEGJEKPWZWSKX-OAHLLOKOSA-N 1 2 352.442 2.305 40 0 FEABLO COc1ncccc1C(=O)N1Cc2[nH+]cn(C)c2[C@@H](COCC(C)C)C1 ZINC000096044857 221998352 /nfs/dbraw/zinc/99/83/52/221998352.db2.gz IQJUNFWERCIBJX-CQSZACIVSA-N 1 2 358.442 2.236 40 0 FEABLO O=C(c1ccc(F)cc1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096259576 222103249 /nfs/dbraw/zinc/10/32/49/222103249.db2.gz JUKBOGLIOHWFSC-UHFFFAOYSA-N 1 2 357.433 2.449 40 0 FEABLO Cc1ccccc1NC(=O)N1Cc2c[nH+]cn2C[C@@H](C(=O)NCC2CC2)C1 ZINC000096260690 222103662 /nfs/dbraw/zinc/10/36/62/222103662.db2.gz OAOZVAYBYMXBFL-INIZCTEOSA-N 1 2 367.453 2.382 40 0 FEABLO C[C@H]1c2ncc(COCC3CCOCC3)n2CC[N@H+]1Cc1cnn(C)c1 ZINC000096206023 222076834 /nfs/dbraw/zinc/07/68/34/222076834.db2.gz OOOZFJJDJTZOAL-HNNXBMFYSA-N 1 2 359.474 2.137 40 0 FEABLO C[C@H]1c2ncc(COCC3CCOCC3)n2CC[N@@H+]1Cc1cnn(C)c1 ZINC000096206023 222076837 /nfs/dbraw/zinc/07/68/37/222076837.db2.gz OOOZFJJDJTZOAL-HNNXBMFYSA-N 1 2 359.474 2.137 40 0 FEABLO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(CC(C(=O)Nc3cccnc3C)=NO2)C1 ZINC000096226114 222088184 /nfs/dbraw/zinc/08/81/84/222088184.db2.gz TZYULIHTIPCJBG-LJQANCHMSA-N 1 2 369.425 2.354 40 0 FEABLO Cc1noc(C)c1C[N@H+]1CC[C@@]2(CC(C(=O)Nc3cccnc3C)=NO2)C1 ZINC000096226114 222088187 /nfs/dbraw/zinc/08/81/87/222088187.db2.gz TZYULIHTIPCJBG-LJQANCHMSA-N 1 2 369.425 2.354 40 0 FEABLO Cn1ccnc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1ncccc1F)C2 ZINC000096229073 222089980 /nfs/dbraw/zinc/08/99/80/222089980.db2.gz XIARHGJZMACQHA-IBGZPJMESA-N 1 2 359.449 2.073 40 0 FEABLO Cn1ccnc1C[N@H+]1CCC[C@@]2(C1)COCCN(c1ncccc1F)C2 ZINC000096229073 222089983 /nfs/dbraw/zinc/08/99/83/222089983.db2.gz XIARHGJZMACQHA-IBGZPJMESA-N 1 2 359.449 2.073 40 0 FEABLO O=C(NCC1CCOCC1)[C@H]1CN(Cc2ccccc2F)Cc2c[nH+]cn21 ZINC000247509904 549347868 /nfs/dbraw/zinc/34/78/68/549347868.db2.gz SQANZNXPONHCGQ-LJQANCHMSA-N 1 2 372.444 2.122 40 0 FEABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCN(C(=O)c4ccccn4)C3)n2)n1C ZINC000257252761 534722851 /nfs/dbraw/zinc/72/28/51/534722851.db2.gz JWBOFYNTOCHWSZ-OAHLLOKOSA-N 1 2 362.437 2.285 40 0 FEABLO CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH+]c[nH]2)[C@@H]1c1ccccc1OC ZINC000257263828 528948746 /nfs/dbraw/zinc/94/87/46/528948746.db2.gz LRRAQMRGMUZJAK-APWZRJJASA-N 1 2 370.453 2.077 40 0 FEABLO CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH]c[nH+]2)[C@@H]1c1ccccc1OC ZINC000257263828 528948753 /nfs/dbraw/zinc/94/87/53/528948753.db2.gz LRRAQMRGMUZJAK-APWZRJJASA-N 1 2 370.453 2.077 40 0 FEABLO Cc1csc(C[NH+]2CC3(C2)C[C@@H](OCC(=O)N2CCCC2)CS3)n1 ZINC000247928399 549391862 /nfs/dbraw/zinc/39/18/62/549391862.db2.gz BJWJWLYIZBFION-CQSZACIVSA-N 1 2 367.540 2.150 40 0 FEABLO c1cnc(O[C@@H]2CCOC3(C[NH+](Cc4ccc5c(c4)OCO5)C3)C2)nc1 ZINC000248331472 549419517 /nfs/dbraw/zinc/41/95/17/549419517.db2.gz HGBZAQFTWNLQJZ-OAHLLOKOSA-N 1 2 355.394 2.018 40 0 FEABLO C[C@@H]1c2nc(C(=O)NCc3ccccn3)cn2CC[N@H+]1CC1CCOCC1 ZINC000253591129 549696408 /nfs/dbraw/zinc/69/64/08/549696408.db2.gz JYBZTWQPHNPPLX-OAHLLOKOSA-N 1 2 369.469 2.011 40 0 FEABLO C[C@@H]1c2nc(C(=O)NCc3ccccn3)cn2CC[N@@H+]1CC1CCOCC1 ZINC000253591129 549696409 /nfs/dbraw/zinc/69/64/09/549696409.db2.gz JYBZTWQPHNPPLX-OAHLLOKOSA-N 1 2 369.469 2.011 40 0 FEABLO CS(=O)(=O)CC[C@H]([NH3+])c1nc([C@H](c2cccs2)n2cccc2)no1 ZINC000409439383 558690522 /nfs/dbraw/zinc/69/05/22/558690522.db2.gz GYGYKRRPXMMAFM-AAEUAGOBSA-N 1 2 366.468 2.005 40 0 FEABLO CS(=O)(=O)CC[C@@H]([NH3+])c1nc([C@@H](c2cccs2)n2cccc2)no1 ZINC000409439385 558690986 /nfs/dbraw/zinc/69/09/86/558690986.db2.gz GYGYKRRPXMMAFM-DGCLKSJQSA-N 1 2 366.468 2.005 40 0 FEABLO C[N@H+](CC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1)Cc1cccnc1 ZINC000585270743 570484892 /nfs/dbraw/zinc/48/48/92/570484892.db2.gz AKLKAFAXSOTZID-PMACEKPBSA-N 1 2 353.466 2.108 40 0 FEABLO C[N@@H+](CC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1)Cc1cccnc1 ZINC000585270743 570484895 /nfs/dbraw/zinc/48/48/95/570484895.db2.gz AKLKAFAXSOTZID-PMACEKPBSA-N 1 2 353.466 2.108 40 0 FEABLO CC(C)[C@H](CO)Nc1nc(NCc2cccnc2)cc(-c2ccncc2)[nH+]1 ZINC000329020801 571130113 /nfs/dbraw/zinc/13/01/13/571130113.db2.gz OCSJUECYRZQGCT-SFHVURJKSA-N 1 2 364.453 2.975 40 0 FEABLO CC(C)[C@H](CO)Nc1nc(NCc2ccccn2)cc(-c2cccnc2)[nH+]1 ZINC000329048378 571130305 /nfs/dbraw/zinc/13/03/05/571130305.db2.gz UJQPPHHPLAUJDY-SFHVURJKSA-N 1 2 364.453 2.975 40 0 FEABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COCc2ccccn2)no1 ZINC000585094562 571219492 /nfs/dbraw/zinc/21/94/92/571219492.db2.gz BEQJURZTZNAYMY-QGZVFWFLSA-N 1 2 353.426 2.255 40 0 FEABLO CCc1ccc(C[NH+]2CC3(C2)CC[C@@H](CNS(=O)(=O)CC)CO3)cc1 ZINC000585103688 571222723 /nfs/dbraw/zinc/22/27/23/571222723.db2.gz CXASQLUVYBBKGA-SFHVURJKSA-N 1 2 366.527 2.169 40 0 FEABLO COc1ccc(C[N@H+]2Cc3ncn(C)c3[C@H](C(=O)NCC3CCC3)C2)cc1 ZINC000585110756 571226464 /nfs/dbraw/zinc/22/64/64/571226464.db2.gz AHOPUTOGYIVELI-GOSISDBHSA-N 1 2 368.481 2.444 40 0 FEABLO COc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@H](C(=O)NCC3CCC3)C2)cc1 ZINC000585110756 571226465 /nfs/dbraw/zinc/22/64/65/571226465.db2.gz AHOPUTOGYIVELI-GOSISDBHSA-N 1 2 368.481 2.444 40 0 FEABLO CN(C)c1cncc([C@H]2CCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257249017 529801402 /nfs/dbraw/zinc/80/14/02/529801402.db2.gz JGIWDIPNOBJAQY-QGZVFWFLSA-N 1 2 353.474 2.270 40 0 FEABLO CN(C)c1cncc([C@H]2CCC[N@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257249017 529801403 /nfs/dbraw/zinc/80/14/03/529801403.db2.gz JGIWDIPNOBJAQY-QGZVFWFLSA-N 1 2 353.474 2.270 40 0 FEABLO COc1ccc([C@@H](NC(=O)c2cccnc2)c2[nH+]ccn2C)cc1OC ZINC000012114941 539543855 /nfs/dbraw/zinc/54/38/55/539543855.db2.gz UCQKINAHJKHXQQ-QGZVFWFLSA-N 1 2 352.394 2.352 40 0 FEABLO COc1cccc([C@H](NC(=O)c2ccncc2)c2[nH+]ccn2C)c1OC ZINC000012221715 539550466 /nfs/dbraw/zinc/55/04/66/539550466.db2.gz BWALWCOEOAWKDP-INIZCTEOSA-N 1 2 352.394 2.352 40 0 FEABLO Cc1nc2c(c(N3CCC[C@@H](C(N)=O)C3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000019286197 539653637 /nfs/dbraw/zinc/65/36/37/539653637.db2.gz MXUNOZMOQVOFBO-QGZVFWFLSA-N 1 2 365.481 2.045 40 0 FEABLO Cc1nc2c(c(N3CCC[C@@H](C(N)=O)C3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000019286197 539653639 /nfs/dbraw/zinc/65/36/39/539653639.db2.gz MXUNOZMOQVOFBO-QGZVFWFLSA-N 1 2 365.481 2.045 40 0 FEABLO CN(CCOc1ccc(C[C@@H]2SC(N)=NC2=O)cc1)c1cccc[nH+]1 ZINC000038339132 539998373 /nfs/dbraw/zinc/99/83/73/539998373.db2.gz VQDBYZBZMGVIOT-HNNXBMFYSA-N 1 2 356.451 2.096 40 0 FEABLO Cc1cc(Oc2ccccc2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225905366 222879570 /nfs/dbraw/zinc/87/95/70/222879570.db2.gz MWDZPYINAGFOCW-UHFFFAOYSA-N 1 2 373.482 2.196 40 0 FEABLO Cc1cc(=O)[nH]c([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257240195 223033145 /nfs/dbraw/zinc/03/31/45/223033145.db2.gz HSMWQVIBCMCXJZ-INIZCTEOSA-N 1 2 351.410 2.454 40 0 FEABLO Cc1cc(=O)[nH]c([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257240195 223033148 /nfs/dbraw/zinc/03/31/48/223033148.db2.gz HSMWQVIBCMCXJZ-INIZCTEOSA-N 1 2 351.410 2.454 40 0 FEABLO O=C(c1cccnc1)N1CCC[C@@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257242273 223034426 /nfs/dbraw/zinc/03/44/26/223034426.db2.gz IBTLCPBSPSMNBF-LJQANCHMSA-N 1 2 352.438 2.286 40 0 FEABLO C[C@]12CCCC[N@H+](Cc3ccc(S(C)(=O)=O)cc3)[C@H]1CCC(=O)N2 ZINC000257270074 223045907 /nfs/dbraw/zinc/04/59/07/223045907.db2.gz MSRKRBJRYWOBMK-WMZOPIPTSA-N 1 2 350.484 2.113 40 0 FEABLO C[C@]12CCCC[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)[C@H]1CCC(=O)N2 ZINC000257270074 223045910 /nfs/dbraw/zinc/04/59/10/223045910.db2.gz MSRKRBJRYWOBMK-WMZOPIPTSA-N 1 2 350.484 2.113 40 0 FEABLO Cn1cncc1C[N@@H+]1CCC[C@H](Cc2cc(Nc3nncs3)ncn2)C1 ZINC000257268300 223044185 /nfs/dbraw/zinc/04/41/85/223044185.db2.gz MLBGPZBEQSFFFK-CYBMUJFWSA-N 1 2 370.486 2.260 40 0 FEABLO Cn1cncc1C[N@H+]1CCC[C@H](Cc2cc(Nc3nncs3)ncn2)C1 ZINC000257268300 223044188 /nfs/dbraw/zinc/04/41/88/223044188.db2.gz MLBGPZBEQSFFFK-CYBMUJFWSA-N 1 2 370.486 2.260 40 0 FEABLO Cc1[nH+]c2ccccn2c1CC(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000257294415 223053472 /nfs/dbraw/zinc/05/34/72/223053472.db2.gz QUAOUHHITOMJRW-HNNXBMFYSA-N 1 2 351.406 2.484 40 0 FEABLO Cc1nc(Nc2ncccn2)cc([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000257310247 223060633 /nfs/dbraw/zinc/06/06/33/223060633.db2.gz UEJJLVBCALWGDY-CQSZACIVSA-N 1 2 350.430 2.421 40 0 FEABLO Cc1nc(Nc2ncccn2)cc([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000257310247 223060635 /nfs/dbraw/zinc/06/06/35/223060635.db2.gz UEJJLVBCALWGDY-CQSZACIVSA-N 1 2 350.430 2.421 40 0 FEABLO Cn1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306137945 223111682 /nfs/dbraw/zinc/11/16/82/223111682.db2.gz RKNQIDSOFXLOGS-PKOBYXMFSA-N 1 2 369.446 2.435 40 0 FEABLO Cn1cc(C[N@H+]2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306137945 223111684 /nfs/dbraw/zinc/11/16/84/223111684.db2.gz RKNQIDSOFXLOGS-PKOBYXMFSA-N 1 2 369.446 2.435 40 0 FEABLO C[C@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329058303 223130550 /nfs/dbraw/zinc/13/05/50/223130550.db2.gz WBUZRRTVKXDKBK-CYBMUJFWSA-N 1 2 369.856 2.441 40 0 FEABLO CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1ccccc1C ZINC000069131559 541662500 /nfs/dbraw/zinc/66/25/00/541662500.db2.gz HBVGWHLEKUGFEN-UHFFFAOYSA-N 1 2 359.499 2.140 40 0 FEABLO Nc1nc(N)c2c([nH+]1)NC(=O)C[C@H]2C(=O)Nc1cc(Cl)ccc1Cl ZINC000013549439 220073132 /nfs/dbraw/zinc/07/31/32/220073132.db2.gz LJNORAMXPXKCMD-ZCFIWIBFSA-N 1 2 367.196 2.012 40 0 FEABLO Cc1ccc(Cl)cc1N1C(=O)C[C@@H]([NH+]2CCC3(CC2)OCCO3)C1=O ZINC000013636718 220080721 /nfs/dbraw/zinc/08/07/21/220080721.db2.gz ZUESLWDLCMWIST-OAHLLOKOSA-N 1 2 364.829 2.119 40 0 FEABLO COc1ccc(NC2=[NH+][C@H](C(=O)Nc3ccc(F)cc3)C=C(O)N2)cc1 ZINC000014607656 220127053 /nfs/dbraw/zinc/12/70/53/220127053.db2.gz OOCNKKLJBYCIHU-HNNXBMFYSA-N 1 2 356.357 2.129 40 0 FEABLO Cc1ccnn1CCC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3C)ncc2C1 ZINC000019238484 220243000 /nfs/dbraw/zinc/24/30/00/220243000.db2.gz YMGCXWZTRCHGNY-GOSISDBHSA-N 1 2 368.485 2.113 40 0 FEABLO Cc1ccnn1CCC(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3C)ncc2C1 ZINC000019238484 220243004 /nfs/dbraw/zinc/24/30/04/220243004.db2.gz YMGCXWZTRCHGNY-GOSISDBHSA-N 1 2 368.485 2.113 40 0 FEABLO Cc1ccc2[nH+]c(C)cc(OCC(=O)NCCN3C(=O)CSC3=O)c2c1 ZINC000019220600 220241076 /nfs/dbraw/zinc/24/10/76/220241076.db2.gz KWOGYRSWNLOGMA-UHFFFAOYSA-N 1 2 373.434 2.042 40 0 FEABLO CNc1cc([C@@H]2CCCN2C(=O)C[N@H+](C)Cc2cccnc2)nc(C)n1 ZINC000257304633 533052786 /nfs/dbraw/zinc/05/27/86/533052786.db2.gz SMLRNMVQEZMFOE-KRWDZBQOSA-N 1 2 354.458 2.017 40 0 FEABLO CNc1cc([C@@H]2CCCN2C(=O)C[N@@H+](C)Cc2cccnc2)nc(C)n1 ZINC000257304633 533052789 /nfs/dbraw/zinc/05/27/89/533052789.db2.gz SMLRNMVQEZMFOE-KRWDZBQOSA-N 1 2 354.458 2.017 40 0 FEABLO COc1cccc(OC[C@H]2CCC[N@H+](CC(=O)Nc3cnn(C)c3C)C2)c1 ZINC000019658908 220282973 /nfs/dbraw/zinc/28/29/73/220282973.db2.gz PKHHMOWKDYUADH-INIZCTEOSA-N 1 2 372.469 2.467 40 0 FEABLO COc1cccc(OC[C@H]2CCC[N@@H+](CC(=O)Nc3cnn(C)c3C)C2)c1 ZINC000019658908 220282977 /nfs/dbraw/zinc/28/29/77/220282977.db2.gz PKHHMOWKDYUADH-INIZCTEOSA-N 1 2 372.469 2.467 40 0 FEABLO Cc1nc(NCCN2CCCC2=O)cc(CCc2nc3ccccc3[nH]2)[nH+]1 ZINC000019719602 220291682 /nfs/dbraw/zinc/29/16/82/220291682.db2.gz UWYTVGQOYXIJQM-UHFFFAOYSA-N 1 2 364.453 2.481 40 0 FEABLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1 ZINC000019717181 220289787 /nfs/dbraw/zinc/28/97/87/220289787.db2.gz ZSRCRXGELUIJPE-ZDUSSCGKSA-N 1 2 362.861 2.191 40 0 FEABLO c1ccc2c(c1)nc1n2C2(CCCC2)NC2=[NH+]CN(C[C@H]3CCCO3)CN12 ZINC000054095990 221050300 /nfs/dbraw/zinc/05/03/00/221050300.db2.gz BDTXXWGCSGDPBX-OAHLLOKOSA-N 1 2 366.469 2.438 40 0 FEABLO Cc1ccc(CC(=O)N(C)C[C@]2(O)CCCN(c3cccc[nH+]3)C2)s1 ZINC000257326775 132297241 /nfs/dbraw/zinc/29/72/41/132297241.db2.gz WYNUBLAIBVYKTR-LJQANCHMSA-N 1 2 359.495 2.484 40 0 FEABLO CCCC[C@H](c1nnnn1CCOC)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670059 136129854 /nfs/dbraw/zinc/12/98/54/136129854.db2.gz DQMSWOJQZHAWFP-GOSISDBHSA-N 1 2 358.490 2.373 40 0 FEABLO Cc1cccc(C[N@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)n1 ZINC000072335455 136144439 /nfs/dbraw/zinc/14/44/39/136144439.db2.gz STUDPBSIQZVUHO-UHFFFAOYSA-N 1 2 353.470 2.268 40 0 FEABLO Cc1cccc(C[N@@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)n1 ZINC000072335455 136144440 /nfs/dbraw/zinc/14/44/40/136144440.db2.gz STUDPBSIQZVUHO-UHFFFAOYSA-N 1 2 353.470 2.268 40 0 FEABLO COC[C@@H]1c2c(cnn2CC2CCOCC2)CC[N@H+]1Cc1cccnc1 ZINC000096044540 542988805 /nfs/dbraw/zinc/98/88/05/542988805.db2.gz HPVFHRRSWKFIRU-LJQANCHMSA-N 1 2 356.470 2.451 40 0 FEABLO COC[C@@H]1c2c(cnn2CC2CCOCC2)CC[N@@H+]1Cc1cccnc1 ZINC000096044540 542988807 /nfs/dbraw/zinc/98/88/07/542988807.db2.gz HPVFHRRSWKFIRU-LJQANCHMSA-N 1 2 356.470 2.451 40 0 FEABLO O=C(c1cccnc1)N1CCC[C@]2(C1)COCCN(c1cccc[nH+]1)C2 ZINC000096076778 222013798 /nfs/dbraw/zinc/01/37/98/222013798.db2.gz RQCZJJZGXHAKRV-FQEVSTJZSA-N 1 2 352.438 2.236 40 0 FEABLO O=C(c1ccncc1)N1CCc2[nH+]c(N3CCCC3)nc(NC3CC3)c2C1 ZINC000096254118 222101392 /nfs/dbraw/zinc/10/13/92/222101392.db2.gz OLPAQPSFCYPANK-UHFFFAOYSA-N 1 2 364.453 2.245 40 0 FEABLO O=C(N[C@@H]1CCO[C@]2(CC[N@H+](Cc3nccs3)C2)C1)c1cccnc1 ZINC000096218609 222083794 /nfs/dbraw/zinc/08/37/94/222083794.db2.gz KEBLGAMDFLOUAQ-CRAIPNDOSA-N 1 2 358.467 2.092 40 0 FEABLO O=C(N[C@@H]1CCO[C@]2(CC[N@@H+](Cc3nccs3)C2)C1)c1cccnc1 ZINC000096218609 222083797 /nfs/dbraw/zinc/08/37/97/222083797.db2.gz KEBLGAMDFLOUAQ-CRAIPNDOSA-N 1 2 358.467 2.092 40 0 FEABLO O=C(NCC[C@@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21)c1cnccn1 ZINC000306137332 534416170 /nfs/dbraw/zinc/41/61/70/534416170.db2.gz QTGUJAZWHIACIJ-QGZVFWFLSA-N 1 2 362.437 2.050 40 0 FEABLO O=C(NCC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21)c1cnccn1 ZINC000306137332 534416176 /nfs/dbraw/zinc/41/61/76/534416176.db2.gz QTGUJAZWHIACIJ-QGZVFWFLSA-N 1 2 362.437 2.050 40 0 FEABLO O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NCCCn1cc[nH+]c1 ZINC000019937712 527323289 /nfs/dbraw/zinc/32/32/89/527323289.db2.gz XVLWAIWAFUBQSJ-UHFFFAOYSA-N 1 2 371.828 2.036 40 0 FEABLO [NH3+][C@@H](CCC[C@@]([NH3+])(C(=O)[O-])C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000085479279 527330453 /nfs/dbraw/zinc/33/04/53/527330453.db2.gz KCERZKANANQKNA-JXFKEZNVSA-N 1 2 354.406 2.032 40 0 FEABLO CCC(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306135525 528391828 /nfs/dbraw/zinc/39/18/28/528391828.db2.gz OTZWVDZAXPLZRG-OXJNMPFZSA-N 1 2 358.486 2.429 40 0 FEABLO O=C(CO[C@H]1CCOC2(C[NH+](Cc3ccc(F)cc3)C2)C1)N1CCCC1 ZINC000247725323 549374515 /nfs/dbraw/zinc/37/45/15/549374515.db2.gz CGVFYTRBLKNIIV-SFHVURJKSA-N 1 2 362.445 2.198 40 0 FEABLO COc1cccc(C[N@@H+]2C[C@H]3C[C@@H](C(=O)Nc4cccnc4)[C@@H](C2)O3)c1 ZINC000247919041 549391901 /nfs/dbraw/zinc/39/19/01/549391901.db2.gz NKEOJUGEQONHJM-GUDVDZBRSA-N 1 2 353.422 2.318 40 0 FEABLO COc1cccc(C[N@H+]2C[C@H]3C[C@@H](C(=O)Nc4cccnc4)[C@@H](C2)O3)c1 ZINC000247919041 549391904 /nfs/dbraw/zinc/39/19/04/549391904.db2.gz NKEOJUGEQONHJM-GUDVDZBRSA-N 1 2 353.422 2.318 40 0 FEABLO O=C(c1cccc2c1OCCO2)N1Cc2c[nH+]cn2[C@H](COCC2CC2)C1 ZINC000247961786 549395146 /nfs/dbraw/zinc/39/51/46/549395146.db2.gz XWJQGHJPYSUDJO-INIZCTEOSA-N 1 2 369.421 2.278 40 0 FEABLO CN(C)C(=O)CO[C@H]1CCOC2(C[NH+](Cc3ccc(Cl)cc3)C2)C1 ZINC000247985304 549398059 /nfs/dbraw/zinc/39/80/59/549398059.db2.gz KKTQQNMSAQMHTM-INIZCTEOSA-N 1 2 352.862 2.178 40 0 FEABLO Cc1nc(C(=O)N2Cc3ccnn3C[C@@H](CNc3cccc[nH+]3)C2)cs1 ZINC000248029839 549400946 /nfs/dbraw/zinc/40/09/46/549400946.db2.gz LQINQTXUTOTQDF-AWEZNQCLSA-N 1 2 368.466 2.427 40 0 FEABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccccn2)cc(-c2cccnc2)[nH+]1 ZINC000329048375 571129801 /nfs/dbraw/zinc/12/98/01/571129801.db2.gz UJQPPHHPLAUJDY-GOSISDBHSA-N 1 2 364.453 2.975 40 0 FEABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COCc2ccncc2)no1 ZINC000585094574 571219459 /nfs/dbraw/zinc/21/94/59/571219459.db2.gz CBSJVOMDQQQQCA-QGZVFWFLSA-N 1 2 353.426 2.255 40 0 FEABLO Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@H](C(=O)NCc3ccco3)C2)c1 ZINC000585096103 571221042 /nfs/dbraw/zinc/22/10/42/571221042.db2.gz RJOBJCWBZVAJEU-SFHVURJKSA-N 1 2 364.405 2.298 40 0 FEABLO