smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1C[N@@H+](Cc1cccc(OC)c1O)C[C@@H]1CCCO1 ZINC000013995151 206306879 /nfs/dbraw/zinc/30/68/79/206306879.db2.gz PUQDEFKAOXSNBE-SFHVURJKSA-N 1 0 357.450 3.591 40 10 FHCBRO Cc1[nH]c2ccccc2c1[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCN(C)CC1 ZINC000020507293 570919085 /nfs/dbraw/zinc/91/90/85/570919085.db2.gz DNFCODBYPOQNDL-HSZRJFAPSA-N 1 0 362.521 3.879 40 10 FHCBRO COc1cc(C[NH+]2CCC(Cn3ccnc3C)CC2)ccc1N1CCCC1 ZINC000072391766 571189935 /nfs/dbraw/zinc/18/99/35/571189935.db2.gz KWVOSYATNFQJAO-UHFFFAOYSA-N 1 0 368.525 3.713 40 10 FHCBRO O=[N+]([O-])c1cccc(-c2cn3c([n+]2Cc2ccccc2)SCCC3)c1 ZINC000026441778 571162762 /nfs/dbraw/zinc/16/27/62/571162762.db2.gz ONCNSXOGOQUYRT-UHFFFAOYSA-N 1 0 352.439 3.895 40 10 FHCBRO COc1ccc(O)c(C[N@@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)c1 ZINC000013995145 206307448 /nfs/dbraw/zinc/30/74/48/206307448.db2.gz CNSPPEQZYFJDKS-IBGZPJMESA-N 1 0 357.450 3.591 40 10 FHCBRO C[NH+]1CCN(c2ccc(CNC(=S)Nc3ccccc3Cl)cc2)CC1 ZINC000225775710 536421719 /nfs/dbraw/zinc/42/17/19/536421719.db2.gz DVNLAHCSDRTZGE-UHFFFAOYSA-N 1 0 374.941 3.578 40 10 FHCBRO CN(C)c1ccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 ZINC000012222358 570729587 /nfs/dbraw/zinc/72/95/87/570729587.db2.gz BMILYOUOVIJDHD-UHFFFAOYSA-N 1 0 363.465 3.577 40 10 FHCBRO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260559669 570817632 /nfs/dbraw/zinc/81/76/32/570817632.db2.gz HYJJINIPNBUMDQ-ZWKOTPCHSA-N 1 0 357.542 3.832 40 10 FHCBRO CN(C)c1ccc([C@@H](c2cc3c(cc2O)OCO3)[NH+]2CCCCC2)cc1 ZINC000003053297 204076817 /nfs/dbraw/zinc/07/68/17/204076817.db2.gz IWOZRLGQTHWMKK-NRFANRHFSA-N 1 0 354.450 3.762 40 10 FHCBRO CCOc1ccc(O)c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)c1 ZINC000012345563 570738667 /nfs/dbraw/zinc/73/86/67/570738667.db2.gz CUCCKFQYYJLJQF-QIDMFYOTSA-N 1 0 371.452 3.945 40 10 FHCBRO COc1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)cc1Cn1cccn1 ZINC000012361989 570738553 /nfs/dbraw/zinc/73/85/53/570738553.db2.gz JOJVAMXKLLDTLV-UHFFFAOYSA-N 1 0 351.425 3.858 40 10 FHCBRO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)nc(-c2cccs2)[nH]1 ZINC000019349001 570886979 /nfs/dbraw/zinc/88/69/79/570886979.db2.gz IWQONFRISGHBRQ-CQSZACIVSA-N 1 0 367.474 3.584 40 10 FHCBRO COc1ccccc1C[N@@H+](Cc1cccc(OC)c1O)C[C@H]1CCCO1 ZINC000013995153 206306769 /nfs/dbraw/zinc/30/67/69/206306769.db2.gz PUQDEFKAOXSNBE-GOSISDBHSA-N 1 0 357.450 3.591 40 10 FHCBRO CC(NC1CC(C)(C)[NH2+]C(C)(C)C1)=C1C(C)=NN(c2ccccc2)C1=O ZINC000112115453 263451963 /nfs/dbraw/zinc/45/19/63/263451963.db2.gz MCNYUCOHNXWKDK-JXAWBTAJSA-N 1 0 354.498 3.582 40 10 FHCBRO Cc1c(/C=C/c2cccc[n+]2C)c2ccccc2n1CC(=O)N1CCCC1 ZINC000004933025 206185896 /nfs/dbraw/zinc/18/58/96/206185896.db2.gz NFKIWOQICQVAAJ-UHFFFAOYSA-N 1 0 360.481 3.567 40 10 FHCBRO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000216904518 525080227 /nfs/dbraw/zinc/08/02/27/525080227.db2.gz HYJJINIPNBUMDQ-QZTJIDSGSA-N 1 0 357.542 3.832 40 10 FHCBRO COc1ccc(C[N@@H+]2CCC[C@@H](c3onc4c3C[C@H](C)CC4)C2)c(O)c1 ZINC000019497163 570890081 /nfs/dbraw/zinc/89/00/81/570890081.db2.gz CGIHACVCGZTFRF-GDBMZVCRSA-N 1 0 356.466 3.893 40 10 FHCBRO Cc1ccc(C)c(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000225775583 132286655 /nfs/dbraw/zinc/28/66/55/132286655.db2.gz DDUNDBKNEOCSIE-UHFFFAOYSA-N 1 0 368.550 3.542 40 10 FHCBRO C[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260559666 570817454 /nfs/dbraw/zinc/81/74/54/570817454.db2.gz HYJJINIPNBUMDQ-ROUUACIJSA-N 1 0 357.542 3.832 40 10 FHCBRO C[NH+](C)CCN(Cc1ccncc1)Cc1ccc(N2CCCCC2)cc1 ZINC000019582555 570895410 /nfs/dbraw/zinc/89/54/10/570895410.db2.gz PGFAKGJDCMFOQN-UHFFFAOYSA-N 1 0 352.526 3.636 40 10 FHCBRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000012344519 219984604 /nfs/dbraw/zinc/98/46/04/219984604.db2.gz GGNFRYRKWAIOKV-UHFFFAOYSA-N 1 0 370.468 3.776 40 10 FHCBRO CN(C)c1ccc([C@H](c2cc3c(cc2O)OCO3)[NH+]2CCCCC2)cc1 ZINC000001586975 570502189 /nfs/dbraw/zinc/50/21/89/570502189.db2.gz IWOZRLGQTHWMKK-OAQYLSRUSA-N 1 0 354.450 3.762 40 10 FHCBRO CCOc1ccccc1[N+]1=C2SCCCN2[C@@](O)(c2ccc(C)cc2)C1 ZINC000001468145 570643013 /nfs/dbraw/zinc/64/30/13/570643013.db2.gz ZLFNRHPLINALQJ-NRFANRHFSA-N 1 0 369.510 3.564 40 10 FHCBRO CCOc1ccccc1[N+]1=C2SCCCN2[C@](O)(c2ccc(C)cc2)C1 ZINC000001468144 570643040 /nfs/dbraw/zinc/64/30/40/570643040.db2.gz ZLFNRHPLINALQJ-OAQYLSRUSA-N 1 0 369.510 3.564 40 10 FHCBRO COc1ccc([C@@H](c2cc3c(cc2O)OCO3)[NH+]2CCCCC2)cc1OC ZINC000006411729 207138757 /nfs/dbraw/zinc/13/87/57/207138757.db2.gz IVAFIHXRSKJQPF-NRFANRHFSA-N 1 0 371.433 3.713 40 10 FHCBRO COc1ccc(C[N@@H+]2CCC[C@H](c3onc4c3C[C@@H](C)CC4)C2)c(O)c1 ZINC000036735078 208170774 /nfs/dbraw/zinc/17/07/74/208170774.db2.gz CGIHACVCGZTFRF-HOCLYGCPSA-N 1 0 356.466 3.893 40 10 FHCBRO COc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(OC)c1 ZINC000013994091 570840514 /nfs/dbraw/zinc/84/05/14/570840514.db2.gz DFKJXQLYJFSIKV-IBGZPJMESA-N 1 0 357.450 3.591 40 10 FHCBRO COc1ccc(C[N@@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)c(O)c1 ZINC000013995139 570840733 /nfs/dbraw/zinc/84/07/33/570840733.db2.gz NMMKJPGXVFOIHB-IBGZPJMESA-N 1 0 357.450 3.591 40 10 FHCBRO COc1ccc(/C=C2/SC(=S)N(C[NH+]3CCCCCC3)C2=O)cc1 ZINC000055121111 571116505 /nfs/dbraw/zinc/11/65/05/571116505.db2.gz YQBJPQXNLODNFA-FOWTUZBSSA-N 1 0 362.520 3.730 40 10 FHCBRO C[NH+]1CCN(c2ccc(CNC(=S)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000225775776 536420859 /nfs/dbraw/zinc/42/08/59/536420859.db2.gz HFXOCJUBCHMMTI-UHFFFAOYSA-N 1 0 374.941 3.578 40 10 FHCBRO CCN(CC)C(=O)Cn1c(C)c(/C=C/c2cccc[n+]2C)c2ccccc21 ZINC000004933038 570674687 /nfs/dbraw/zinc/67/46/87/570674687.db2.gz JTVRAISTVRKXKP-UHFFFAOYSA-N 1 0 362.497 3.813 40 10 FHCBRO C=C1[NH+]=C(SCCC)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408991289 570708813 /nfs/dbraw/zinc/70/88/13/570708813.db2.gz QBLTUFDKABBLGJ-QGZVFWFLSA-N 1 0 361.511 3.733 40 10 FHCBRO CCc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc(C)cc3)C2)cc1 ZINC000022404986 571202825 /nfs/dbraw/zinc/20/28/25/571202825.db2.gz PEKPOUUNLICWBM-OAQYLSRUSA-N 1 0 353.511 3.728 40 10 FHCBRO CC(=O)N1CCCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C)c(N2CCCC2)cc1C ZINC000019712471 571304575 /nfs/dbraw/zinc/30/45/75/571304575.db2.gz QQTSZHDAOYLWSV-FGZHOGPDSA-N 1 0 369.553 3.879 40 10 FHCBRO CN(C)c1ccc(/C=C2\Sc3nc(-c4ccccc4)cc[n+]3C2=O)cc1 ZINC000005333961 207094347 /nfs/dbraw/zinc/09/43/47/207094347.db2.gz VFLRLZVJNFHWPZ-RGEXLXHISA-N 1 0 360.462 3.889 40 10 FHCBRO O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000012119196 207339053 /nfs/dbraw/zinc/33/90/53/207339053.db2.gz MBGNLSLTVXEMKP-OAHLLOKOSA-N 1 0 358.825 3.791 40 10 FHCBRO Cc1ccc(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC000225775647 132286624 /nfs/dbraw/zinc/28/66/24/132286624.db2.gz JPLBCZZKGZNEPN-UHFFFAOYSA-N 1 0 368.550 3.542 40 10 FHCBRO C[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(N2CCC(C)CC2)cc1 ZINC000216904338 524925768 /nfs/dbraw/zinc/92/57/68/524925768.db2.gz XTOPDNOXMFSQKW-SFHVURJKSA-N 1 0 357.542 3.832 40 10 FHCBRO C[NH+]1CCN(c2ccc(CNC(=S)Nc3cccc(Cl)c3)cc2)CC1 ZINC000225775748 536421041 /nfs/dbraw/zinc/42/10/41/536421041.db2.gz JZMRQTWVCXMYIE-UHFFFAOYSA-N 1 0 374.941 3.578 40 10 FHCBRO C[n+]1ccccc1/C=C/c1cn(CC(=O)NC2CCCC2)c2ccccc12 ZINC000004933003 570674324 /nfs/dbraw/zinc/67/43/24/570674324.db2.gz UNRIFCMFEGMRNX-UHFFFAOYSA-O 1 0 360.481 3.695 40 10 FHCBRO O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000035317090 570642253 /nfs/dbraw/zinc/64/22/53/570642253.db2.gz MYWOLCSMSKOTNB-NRFANRHFSA-N 1 0 355.526 3.700 40 10 FHCBRO O=c1cc([C@H]2CCC[N@@H+](Cc3ccccc3O)C2)nc(-c2cccs2)[nH]1 ZINC000019349003 570886770 /nfs/dbraw/zinc/88/67/70/570886770.db2.gz IWQONFRISGHBRQ-AWEZNQCLSA-N 1 0 367.474 3.584 40 10 FHCBRO Cc1[nH]c2ccccc2c1[C@H](c1ccc(N(C)C)cc1)[NH+]1CCN(C)CC1 ZINC000020507291 570919271 /nfs/dbraw/zinc/91/92/71/570919271.db2.gz DNFCODBYPOQNDL-QHCPKHFHSA-N 1 0 362.521 3.879 40 10 FHCBRO c1coc(-c2nnc(SCC[NH+]3CCCCC3)nc2-c2ccco2)c1 ZINC000001221511 210336952 /nfs/dbraw/zinc/33/69/52/210336952.db2.gz AEDUBGFNSLJMHV-UHFFFAOYSA-N 1 0 356.451 3.970 40 10 FHCBRO COc1cc(C[N@H+](C)CCCn2nc(C)cc2C)ccc1N1CCCC1 ZINC000019717674 211248977 /nfs/dbraw/zinc/24/89/77/211248977.db2.gz YAJOZZABNJDETI-UHFFFAOYSA-N 1 0 356.514 3.631 40 10 FHCBRO Oc1cc(CN2COc3ccccc32)c(O)cc1C[NH2+]C1CCCCC1 ZINC000001680958 210365941 /nfs/dbraw/zinc/36/59/41/210365941.db2.gz CPMLUMHOWQPOBZ-UHFFFAOYSA-N 1 0 354.450 3.877 40 10 in-vitro FHCBRO COc1ccc([C@H](c2cc3c(cc2O)OCO3)[NH+]2CCCCC2)cc1OC ZINC000001586971 210359455 /nfs/dbraw/zinc/35/94/55/210359455.db2.gz IVAFIHXRSKJQPF-OAQYLSRUSA-N 1 0 371.433 3.713 40 10 FHCBRO COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(N(C)C)cc4)C3)nc2c1 ZINC000049169094 221021047 /nfs/dbraw/zinc/02/10/47/221021047.db2.gz RBJKQVQABYGPSL-INIZCTEOSA-N 1 0 350.466 3.627 40 10 biogenic,in-vitro FHCBRO Cc1ccc(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000225775554 132286587 /nfs/dbraw/zinc/28/65/87/132286587.db2.gz FBSFEHYBSJIXMY-UHFFFAOYSA-N 1 0 368.550 3.542 40 10 FHCBRO Cc1cc(C)cc(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000225775615 132286663 /nfs/dbraw/zinc/28/66/63/132286663.db2.gz URLFUDQOIQTQID-UHFFFAOYSA-N 1 0 368.550 3.542 40 10 FHCBRO C[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000216904553 524927061 /nfs/dbraw/zinc/92/70/61/524927061.db2.gz HYJJINIPNBUMDQ-MSOLQXFVSA-N 1 0 357.542 3.832 40 10 FHCBRO CCN(Cc1cncn1C)c1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000043286586 571100324 /nfs/dbraw/zinc/10/03/24/571100324.db2.gz MFWRKQNZLRKRRY-UHFFFAOYSA-N 1 0 356.514 3.557 40 10 FHCBRO COc1ccc(O)c(C[N@@H+](Cc2ccccc2OC)C[C@H]2CCCO2)c1 ZINC000013995148 220101160 /nfs/dbraw/zinc/10/11/60/220101160.db2.gz CNSPPEQZYFJDKS-LJQANCHMSA-N 1 0 357.450 3.591 40 10 FHCBRO COc1ccc(OC)c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000013994855 220101785 /nfs/dbraw/zinc/10/17/85/220101785.db2.gz JWPFBYFQYATONK-IBGZPJMESA-N 1 0 357.450 3.591 40 10 FHCBRO CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(C[NH+](C)C)c(O)cc21 ZINC000001758671 210370145 /nfs/dbraw/zinc/37/01/45/210370145.db2.gz QGXIYNATESEIKJ-UHFFFAOYSA-N 1 0 366.461 3.942 40 10 FHCBRO C=C1[NH+]=C(SC(C)C)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408991001 263513947 /nfs/dbraw/zinc/51/39/47/263513947.db2.gz PHAQZOHBLZGANR-QGZVFWFLSA-N 1 0 361.511 3.732 40 10 FHCBRO COc1ccc(OC)c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000013994858 220101861 /nfs/dbraw/zinc/10/18/61/220101861.db2.gz JWPFBYFQYATONK-LJQANCHMSA-N 1 0 357.450 3.591 40 10 FHCBRO CCOc1ccc2[nH+]c3cc(I)ccc3c(N)c2c1 ZINC000005663476 570632577 /nfs/dbraw/zinc/63/25/77/570632577.db2.gz RBCPTFNPNBHEDY-UHFFFAOYSA-N 1 0 364.186 3.974 40 10 FHCBRO CCc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(C)cc3)C2)cc1 ZINC000022404984 211351292 /nfs/dbraw/zinc/35/12/92/211351292.db2.gz PEKPOUUNLICWBM-NRFANRHFSA-N 1 0 353.511 3.728 40 10 FHCBRO COc1ccc(C[N@@H+]2CCC[C@H](c3onc4c3C[C@H](C)CC4)C2)c(O)c1 ZINC000019497164 211225406 /nfs/dbraw/zinc/22/54/06/211225406.db2.gz CGIHACVCGZTFRF-ZBFHGGJFSA-N 1 0 356.466 3.893 40 10 FHCBRO C=C1[NH+]=C(SCCC)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408991287 263514651 /nfs/dbraw/zinc/51/46/51/263514651.db2.gz QBLTUFDKABBLGJ-KRWDZBQOSA-N 1 0 361.511 3.733 40 10 FHCBRO Cn1c2ccccc2[n+]2c1SCC(c1ccc(Br)cc1)=N2 ZINC000004953278 570673917 /nfs/dbraw/zinc/67/39/17/570673917.db2.gz XNALFFZVFIHSAM-UHFFFAOYSA-N 1 0 359.272 3.586 40 10 FHCBRO COc1ccc(C[N@@H+](Cc2ccccc2OC)C[C@H]2CCCO2)c(O)c1 ZINC000013995142 220101778 /nfs/dbraw/zinc/10/17/78/220101778.db2.gz NMMKJPGXVFOIHB-LJQANCHMSA-N 1 0 357.450 3.591 40 10 FHCBRO Cc1nccn1C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)c(F)c2)C1 ZINC000019659113 211243447 /nfs/dbraw/zinc/24/34/47/211243447.db2.gz YINUDLQMVKPWBF-LJQANCHMSA-N 1 0 356.489 3.843 40 10 FHCBRO COc1cc(CC[NH2+]Cc2ccccc2O)c(OC)cc1Br ZINC000299817292 210041905 /nfs/dbraw/zinc/04/19/05/210041905.db2.gz RSUNJYKZRKIBNB-UHFFFAOYSA-N 1 0 366.255 3.504 40 10 in-vitro FHCBRO C=C1[NH+]=C(SC(C)C)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408991000 263513967 /nfs/dbraw/zinc/51/39/67/263513967.db2.gz PHAQZOHBLZGANR-KRWDZBQOSA-N 1 0 361.511 3.732 40 10 FHCBRO CCOC(=O)c1[s+]c2sc(=Cc3ccccc3Cl)c(=O)n2c1C ZINC000005853256 570637151 /nfs/dbraw/zinc/63/71/51/570637151.db2.gz NDECNXYSCZESKZ-WQLSENKSSA-N 1 0 366.871 3.961 40 10 FHCBRO O=c1oc2ccc(Cl)cc2n1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000013266968 220061967 /nfs/dbraw/zinc/06/19/67/220061967.db2.gz DMODYWYSNPMMRE-UHFFFAOYSA-N 1 0 358.825 3.791 40 10 FHCBRO CCc1ccc(O)c(CN2CC[NH+](Cc3cc(CC)ccc3O)CC2)c1 ZINC000019365166 220253528 /nfs/dbraw/zinc/25/35/28/220253528.db2.gz YELIGAGKEBUKIC-UHFFFAOYSA-N 1 0 354.494 3.540 40 10 FHCBRO CC[n+]1c(C=Cc2sc3nc(C)cc(C)[n+]3c2[O-])sc2ccccc21 ZINC000005469706 570627879 /nfs/dbraw/zinc/62/78/79/570627879.db2.gz OTVPWTPSZWWGGA-UHFFFAOYSA-O 1 0 369.515 3.897 40 10 FHCBRO C[n+]1ccccc1/C=C/c1cn(CC(=O)NCc2ccco2)c2ccccc12 ZINC000004932995 570674252 /nfs/dbraw/zinc/67/42/52/570674252.db2.gz FZUXTSZXGFRVKU-UHFFFAOYSA-O 1 0 372.448 3.546 40 10 FHCBRO Cc1ccc(O)c(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)c1 ZINC000012668510 220017157 /nfs/dbraw/zinc/01/71/57/220017157.db2.gz JIIGHUPFOWVSEH-UHFFFAOYSA-N 1 0 350.422 3.525 40 10 FHCBRO COc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(OC)c1 ZINC000013994094 220101994 /nfs/dbraw/zinc/10/19/94/220101994.db2.gz DFKJXQLYJFSIKV-LJQANCHMSA-N 1 0 357.450 3.591 40 10 FHCBRO CC(NC1CC(C)(C)[NH2+]C(C)(C)C1)=C1C(C)=NN(c2ccc(F)cc2)C1=O ZINC000112118658 263451902 /nfs/dbraw/zinc/45/19/02/263451902.db2.gz UMOGJKDJMHRNTB-AQTBWJFISA-N 1 0 372.488 3.721 40 10 FHCBRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)cc1 ZINC000049169824 221021190 /nfs/dbraw/zinc/02/11/90/221021190.db2.gz UOYKXMQBMLPNBS-IBGZPJMESA-N 1 0 362.477 3.716 40 10 biogenic,in-vitro FHCBRO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(N2CCC(C)CC2)cc1 ZINC000216904299 525079340 /nfs/dbraw/zinc/07/93/40/525079340.db2.gz XTOPDNOXMFSQKW-GOSISDBHSA-N 1 0 357.542 3.832 40 10 FHCBRO COc1cc(C[NH+]2CCC(n3nc(C)cc3C)CC2)ccc1N1CCCC1 ZINC000019657891 220283692 /nfs/dbraw/zinc/28/36/92/220283692.db2.gz UADXWVDIESXLKV-UHFFFAOYSA-N 1 0 368.525 3.946 40 10 FHCBRO COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCNC(C)=O)c2c1 ZINC000004416360 570590599 /nfs/dbraw/zinc/59/05/99/570590599.db2.gz COHCMGLVEBDWIK-UHFFFAOYSA-N 1 0 357.841 3.988 40 10 FHCBRO COc1ccc(C2([NH2+]Cc3ccc(OC)c(Cn4cccn4)c3)CC2)cc1 ZINC000012238647 570730341 /nfs/dbraw/zinc/73/03/41/570730341.db2.gz ZKWUSRGGEXLGET-UHFFFAOYSA-N 1 0 363.461 3.728 40 10 FHCBRO CCOc1ccc(O)c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)c1 ZINC000012345553 570738842 /nfs/dbraw/zinc/73/88/42/570738842.db2.gz TYIHMQGNPAULAE-AQKKSAQBSA-N 1 0 371.452 3.945 40 10 FHCBRO COc1ccc(C[N@@H+]2CCC[C@@H](c3onc4c3C[C@@H](C)CC4)C2)c(O)c1 ZINC000036735076 571081506 /nfs/dbraw/zinc/08/15/06/571081506.db2.gz CGIHACVCGZTFRF-GOEBONIOSA-N 1 0 356.466 3.893 40 10 FHCBRO O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000035317094 570642126 /nfs/dbraw/zinc/64/21/26/570642126.db2.gz MYWOLCSMSKOTNB-OAQYLSRUSA-N 1 0 355.526 3.700 40 10 FHCBRO Cc1c(/C=C/c2cccc[n+]2C)c2ccccc2n1CC(=O)N1CCCCC1 ZINC000004933035 570674623 /nfs/dbraw/zinc/67/46/23/570674623.db2.gz ZVDZGKINHJXIFI-UHFFFAOYSA-N 1 0 374.508 3.957 40 10 FHCBRO O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000012119199 570720316 /nfs/dbraw/zinc/72/03/16/570720316.db2.gz MBGNLSLTVXEMKP-HNNXBMFYSA-N 1 0 358.825 3.791 40 10 FHCBRO Cc1nccn1C[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)c(F)c2)C1 ZINC000019659115 220284189 /nfs/dbraw/zinc/28/41/89/220284189.db2.gz YINUDLQMVKPWBF-IBGZPJMESA-N 1 0 356.489 3.843 40 10 FHCBRO