smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCN([C@@H]3CCC[N@H+](C4CCCCC4)C3)CC2)cc1 ZINC000023375178 136152672 /nfs/dbraw/zinc/15/26/72/136152672.db2.gz DXSVSILYRYXTMA-OAQYLSRUSA-N 1 1 357.542 3.614 50 10 FHCAMO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)on1 ZINC000012410827 570742991 /nfs/dbraw/zinc/74/29/91/570742991.db2.gz LDRXQWINAAUQDW-HNNXBMFYSA-N 1 1 357.454 3.692 50 10 FHCAMO COc1ccc2c(c1)C[C@H]([NH+]1CCN(C)CC1)c1cc(OC)ccc1S2 ZINC000019802404 570903253 /nfs/dbraw/zinc/90/32/53/570903253.db2.gz CNYRNWBKXAGLAB-IBGZPJMESA-N 1 1 370.518 3.700 50 10 FHCAMO Cc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000057949361 136130324 /nfs/dbraw/zinc/13/03/24/136130324.db2.gz MDJISZJLBGEJEI-JOCHJYFZSA-N 1 1 368.521 3.857 50 10 FHCAMO CCCCN(c1cc(OC)c(OC)c(OC)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000005091607 947970853 /nfs/dbraw/zinc/97/08/53/947970853.db2.gz AGZPPWNXHVQWTG-SJPCQFCGSA-N 1 1 362.514 3.944 50 10 FHCAMO CNC(=O)c1ccc(C[N@@H+](C)Cc2c(O)ccc3ccc(OC)cc32)cc1 ZINC000008188859 204321288 /nfs/dbraw/zinc/32/12/88/204321288.db2.gz ZWUGGGLFFCDSNN-UHFFFAOYSA-N 1 1 364.445 3.546 50 10 FHCAMO COc1ccc(/C=C2\SC(=S)N(C[N@@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000020569925 570919895 /nfs/dbraw/zinc/91/98/95/570919895.db2.gz HIIOTXGMIJLVQE-RERGGYADSA-N 1 1 362.520 3.728 50 10 FHCAMO COc1ccc(/C=C2\SC(=S)N(C[N@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000020569925 570919896 /nfs/dbraw/zinc/91/98/96/570919896.db2.gz HIIOTXGMIJLVQE-RERGGYADSA-N 1 1 362.520 3.728 50 10 FHCAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)ccc2O)N3)C1 ZINC000004556310 204146659 /nfs/dbraw/zinc/14/66/59/204146659.db2.gz UVZRJNYJZNOXHY-OAHLLOKOSA-N 1 1 363.870 3.914 50 10 FHCAMO CCOc1cccc(C[N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)c1O ZINC000055198001 205209144 /nfs/dbraw/zinc/20/91/44/205209144.db2.gz UKGFOKUNYUHOAY-UHFFFAOYSA-N 1 1 355.413 3.952 50 10 FHCAMO COc1ccc(N2CC[N@@H+](Cc3nc4ccccc4nc3C)[C@@H](C)C2)cc1 ZINC000072148090 136142775 /nfs/dbraw/zinc/14/27/75/136142775.db2.gz UATKCWXRNZOKCF-INIZCTEOSA-N 1 1 362.477 3.658 50 10 FHCAMO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(OC)cc3O)C2)c1 ZINC000012595042 570753179 /nfs/dbraw/zinc/75/31/79/570753179.db2.gz REKMWRWPKPTDFJ-KRWDZBQOSA-N 1 1 355.434 3.504 50 10 FHCAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)c(OC)c1 ZINC000012701250 570756845 /nfs/dbraw/zinc/75/68/45/570756845.db2.gz OOTDKQQRWIQFBH-MRXNPFEDSA-N 1 1 355.434 3.504 50 10 FHCAMO O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1C[NH+]1CCCCC1 ZINC000024716575 570980493 /nfs/dbraw/zinc/98/04/93/570980493.db2.gz BZSQDYGXJOOSHL-GXDHUFHOSA-N 1 1 352.912 3.985 50 10 FHCAMO CC(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035349273 571167190 /nfs/dbraw/zinc/16/71/90/571167190.db2.gz HLCZIWQKJYWFKE-QFIPXVFZSA-N 1 1 365.521 3.624 50 10 FHCAMO O=C(C[NH+]1CCCCC1)N1N=C(c2ccccc2O)C[C@@H]1c1cccs1 ZINC000170612666 571267860 /nfs/dbraw/zinc/26/78/60/571267860.db2.gz BMQXYFXKMKZNNK-QGZVFWFLSA-N 1 1 369.490 3.617 50 10 FHCAMO CCc1cc2c(C)cc(=O)oc2c(C[N@H+](C)CCOc2ccccc2)c1O ZINC000012747785 206295523 /nfs/dbraw/zinc/29/55/23/206295523.db2.gz JLUROAWJOIWCSJ-UHFFFAOYSA-N 1 1 367.445 3.880 50 10 FHCAMO CCc1cc2c(C)cc(=O)oc2c(C[N@@H+](C)CCOc2ccccc2)c1O ZINC000012747785 206295529 /nfs/dbraw/zinc/29/55/29/206295529.db2.gz JLUROAWJOIWCSJ-UHFFFAOYSA-N 1 1 367.445 3.880 50 10 FHCAMO COc1ccc(OC)c(-c2ccc(O)c(C[N@H+]3CCCC[C@@H]3CCO)c2)c1 ZINC000020536913 941895099 /nfs/dbraw/zinc/89/50/99/941895099.db2.gz XXWIMXOQONAEKV-GOSISDBHSA-N 1 1 371.477 3.813 50 10 FHCAMO CCOc1ccc(/C=C2\SC(=S)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000334163489 203869205 /nfs/dbraw/zinc/86/92/05/203869205.db2.gz UXYOWQDLSHVZDB-VBKFSLOCSA-N 1 1 362.520 3.730 50 10 FHCAMO O=[N+]([O-])c1nc(Br)n(-c2c3ccccc3[nH+]c3ccccc32)n1 ZINC000004185878 204126523 /nfs/dbraw/zinc/12/65/23/204126523.db2.gz JGHYCGNWOOLXOU-UHFFFAOYSA-N 1 1 370.166 3.639 50 10 FHCAMO COc1ccc(C(=O)c2coc3ccc(O)c(C[NH+]4CCCC4)c23)cc1 ZINC000001075153 571145570 /nfs/dbraw/zinc/14/55/70/571145570.db2.gz JZVAMPSVLXLRKR-UHFFFAOYSA-N 1 1 351.402 3.974 50 10 biogenic FHCAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(C(C)(C)C)ccc2O)N3)C1 ZINC000075286922 571159994 /nfs/dbraw/zinc/15/99/94/571159994.db2.gz RYAJSCULNAHCRR-KRWDZBQOSA-N 1 1 371.506 3.593 50 10 FHCAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(C(C)(C)C)ccc2O)N3)C1 ZINC000075286922 571159996 /nfs/dbraw/zinc/15/99/96/571159996.db2.gz RYAJSCULNAHCRR-KRWDZBQOSA-N 1 1 371.506 3.593 50 10 FHCAMO COc1ccc(N2CC[N@H+](Cc3nc(C)n4ccccc34)CC2(C)C)cc1 ZINC000072143894 571172447 /nfs/dbraw/zinc/17/24/47/571172447.db2.gz XXDVXGVANARMTA-UHFFFAOYSA-N 1 1 364.493 3.752 50 10 FHCAMO COc1ccc(N2CC[N@@H+](Cc3nc(C)n4ccccc34)CC2(C)C)cc1 ZINC000072143894 571172448 /nfs/dbraw/zinc/17/24/48/571172448.db2.gz XXDVXGVANARMTA-UHFFFAOYSA-N 1 1 364.493 3.752 50 10 FHCAMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cn1c2ccccc2oc1=S ZINC000007317452 571264319 /nfs/dbraw/zinc/26/43/19/571264319.db2.gz CMCHMLWIGRXWSA-UHFFFAOYSA-N 1 1 369.490 3.890 50 10 FHCAMO COc1ccc(OC)c(-c2ccc(O)c(C[N@H+]3CCCC[C@H]3CCO)c2)c1 ZINC000020536915 941894880 /nfs/dbraw/zinc/89/48/80/941894880.db2.gz XXWIMXOQONAEKV-SFHVURJKSA-N 1 1 371.477 3.813 50 10 FHCAMO Cc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)c(O)c1 ZINC000004554078 204147271 /nfs/dbraw/zinc/14/72/71/204147271.db2.gz MSZYWPCMZVGQIO-QGZVFWFLSA-N 1 1 357.479 3.958 50 10 FHCAMO COc1ccc(/C=C2/SC(=S)N(C[NH+]3CCC(C)CC3)C2=O)cc1 ZINC000015188702 206313793 /nfs/dbraw/zinc/31/37/93/206313793.db2.gz KLRGCJFVEYCVCM-LFIBNONCSA-N 1 1 362.520 3.586 50 10 FHCAMO Oc1ccc(Br)cc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000055292184 132303357 /nfs/dbraw/zinc/30/33/57/132303357.db2.gz WLKSSXNNYOOPSY-UHFFFAOYSA-N 1 1 365.246 3.616 50 10 FHCAMO COc1ccc(N2CCN([C@H]3CCC[N@H+](C4CCCCC4)C3)CC2)cc1 ZINC000023375180 136152755 /nfs/dbraw/zinc/15/27/55/136152755.db2.gz DXSVSILYRYXTMA-NRFANRHFSA-N 1 1 357.542 3.614 50 10 FHCAMO COc1cccc(O)c1CN1CCC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000020784140 570925085 /nfs/dbraw/zinc/92/50/85/570925085.db2.gz GJWFMMSNZQJSRQ-IBGZPJMESA-N 1 1 354.494 3.540 50 10 FHCAMO Cc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)c1O ZINC000004554071 204147261 /nfs/dbraw/zinc/14/72/61/204147261.db2.gz WFZIOUOSARXAEG-KRWDZBQOSA-N 1 1 357.479 3.958 50 10 FHCAMO C[N@@H+](Cc1cc2c(cc1O)OCO2)Cc1ccccc1Br ZINC000009721145 204379843 /nfs/dbraw/zinc/37/98/43/204379843.db2.gz HDPWJKLQDUVZIP-UHFFFAOYSA-N 1 1 350.212 3.515 50 10 FHCAMO C[N@H+](Cc1cc2c(cc1O)OCO2)Cc1ccccc1Br ZINC000009721145 204379846 /nfs/dbraw/zinc/37/98/46/204379846.db2.gz HDPWJKLQDUVZIP-UHFFFAOYSA-N 1 1 350.212 3.515 50 10 FHCAMO c1ccc([C@@H]2CCC[N@H+]2C2CCN(c3ccc4c(c3)OCO4)CC2)nc1 ZINC000065493673 205355623 /nfs/dbraw/zinc/35/56/23/205355623.db2.gz CBAPKOVKHXASAE-IBGZPJMESA-N 1 1 351.450 3.616 50 10 FHCAMO COc1ccc(N2CCC[N@@H+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000083947483 524405389 /nfs/dbraw/zinc/40/53/89/524405389.db2.gz ZWIKOSFDCQJHFL-UHFFFAOYSA-N 1 1 360.885 3.940 50 10 FHCAMO COc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)c1O ZINC000004555219 207027872 /nfs/dbraw/zinc/02/78/72/207027872.db2.gz NRBYVVWJGUGJAE-KRWDZBQOSA-N 1 1 373.478 3.658 50 10 FHCAMO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[NH+]3CCC(C)CC3)c2C)cc1 ZINC000004746802 207044425 /nfs/dbraw/zinc/04/44/25/207044425.db2.gz CLMJNQLZLXMONX-UHFFFAOYSA-N 1 1 368.477 3.795 50 10 FHCAMO c1ccc(-c2nnc3n2CC[N@H+](Cc2ccc(N4CCCC4)cc2)CC3)cc1 ZINC000011880472 207328292 /nfs/dbraw/zinc/32/82/92/207328292.db2.gz VGMFTRYYFYHOJS-UHFFFAOYSA-N 1 1 373.504 3.604 50 10 FHCAMO C[N@@H+](CCc1ccccn1)Cc1cc(-c2ccc3c(c2)OCO3)ccc1O ZINC000012149387 207344010 /nfs/dbraw/zinc/34/40/10/207344010.db2.gz PIGQJEQUWOAZJT-UHFFFAOYSA-N 1 1 362.429 3.857 50 10 FHCAMO CN(C)c1ccc2c(c1)[C@H](N1CC[NH+](C)CC1)Cc1ccccc1S2 ZINC000075373226 208194765 /nfs/dbraw/zinc/19/47/65/208194765.db2.gz GNEMSMBDWQZUSL-LJQANCHMSA-N 1 1 353.535 3.748 50 10 FHCAMO COC(=O)c1oc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1C ZINC000048355825 136123475 /nfs/dbraw/zinc/12/34/75/136123475.db2.gz OXIGGDQSALTNHZ-UHFFFAOYSA-N 1 1 356.466 3.997 50 10 FHCAMO Oc1c(F)cccc1C[NH+]1CCC(n2cc(-c3ccsc3)nn2)CC1 ZINC000020209830 570913231 /nfs/dbraw/zinc/91/32/31/570913231.db2.gz SCKIAEQBOVCNQQ-UHFFFAOYSA-N 1 1 358.442 3.688 50 10 FHCAMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)c1 ZINC000071748928 571164632 /nfs/dbraw/zinc/16/46/32/571164632.db2.gz ZCYHDTPEDVMDDX-QGZVFWFLSA-N 1 1 367.445 3.833 50 10 FHCAMO CN(C)c1ccc(C[N@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC000252509990 571281410 /nfs/dbraw/zinc/28/14/10/571281410.db2.gz YZOIKHHUKZLFSW-OAQYLSRUSA-N 1 1 359.514 3.728 50 10 FHCAMO CCOc1cccc(C[N@H+]2CCC[C@@H](N3CCc4ccccc4C3)C2)c1O ZINC000019841364 571327377 /nfs/dbraw/zinc/32/73/77/571327377.db2.gz FXBWUMYZDFNSIT-OAQYLSRUSA-N 1 1 366.505 3.814 50 10 FHCAMO CCOc1cccc(CN2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)c1O ZINC000019841364 571327378 /nfs/dbraw/zinc/32/73/78/571327378.db2.gz FXBWUMYZDFNSIT-OAQYLSRUSA-N 1 1 366.505 3.814 50 10 FHCAMO CCOc1cccc(CN2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)c1O ZINC000019841364 571327379 /nfs/dbraw/zinc/32/73/79/571327379.db2.gz FXBWUMYZDFNSIT-OAQYLSRUSA-N 1 1 366.505 3.814 50 10 FHCAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)ccc2O)N3)C1 ZINC000004556309 207027664 /nfs/dbraw/zinc/02/76/64/207027664.db2.gz UVZRJNYJZNOXHY-HNNXBMFYSA-N 1 1 363.870 3.914 50 10 FHCAMO COc1ccc(CC[N@@H+](C)C/C=C/c2ccc(N(C)C)cc2)cc1OC ZINC000005393671 207098447 /nfs/dbraw/zinc/09/84/47/207098447.db2.gz OORZVMRCXPCFJG-VOTSOKGWSA-N 1 1 354.494 3.958 50 10 FHCAMO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(OC)c3O)C2)c1 ZINC000012582997 207398627 /nfs/dbraw/zinc/39/86/27/207398627.db2.gz JWYSABMMTSUXPE-MRXNPFEDSA-N 1 1 355.434 3.504 50 10 FHCAMO Oc1c(C[NH+]2CCN(c3ccccc3)CC2)cc(Cl)c2cccnc12 ZINC000054114333 136125099 /nfs/dbraw/zinc/12/50/99/136125099.db2.gz GNYKRFMRORNYNK-UHFFFAOYSA-N 1 1 353.853 3.916 50 10 FHCAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(N(C)C)cc2)N3)C1 ZINC000004124916 571049224 /nfs/dbraw/zinc/04/92/24/571049224.db2.gz DQWUDUSFQFSMHI-QGZVFWFLSA-N 1 1 356.495 3.621 50 10 FHCAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000065498559 571144249 /nfs/dbraw/zinc/14/42/49/571144249.db2.gz DOGHWHKTGIJSKV-GOSISDBHSA-N 1 1 369.465 3.826 50 10 FHCAMO Cc1cc(O)c(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1C ZINC000025474449 571146518 /nfs/dbraw/zinc/14/65/18/571146518.db2.gz NESDCLRPVYUYRP-UHFFFAOYSA-N 1 1 358.869 3.620 50 10 FHCAMO Cc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000057949365 136130272 /nfs/dbraw/zinc/13/02/72/136130272.db2.gz MDJISZJLBGEJEI-QFIPXVFZSA-N 1 1 368.521 3.857 50 10 FHCAMO Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000057949342 136130380 /nfs/dbraw/zinc/13/03/80/136130380.db2.gz RQECVMOMMSMUMK-JOCHJYFZSA-N 1 1 368.521 3.857 50 10 FHCAMO Cc1cc(C(=O)C[NH+]2CCCCC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000014914373 570826350 /nfs/dbraw/zinc/82/63/50/570826350.db2.gz AHWOFTIDXVVFRH-UHFFFAOYSA-N 1 1 354.450 3.534 50 10 FHCAMO COc1ccc(/C=C2\SC(=S)N(C[N@@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000020569927 570919571 /nfs/dbraw/zinc/91/95/71/570919571.db2.gz HIIOTXGMIJLVQE-YYTPVVGHSA-N 1 1 362.520 3.728 50 10 FHCAMO COc1ccc(/C=C2\SC(=S)N(C[N@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000020569927 570919574 /nfs/dbraw/zinc/91/95/74/570919574.db2.gz HIIOTXGMIJLVQE-YYTPVVGHSA-N 1 1 362.520 3.728 50 10 FHCAMO COc1ccc2c(c1)Sc1ccc(OC)cc1[C@H]([NH+]1CCN(C)CC1)C2 ZINC000019801798 571327323 /nfs/dbraw/zinc/32/73/23/571327323.db2.gz RSAOZNACNLUFOP-LJQANCHMSA-N 1 1 370.518 3.700 50 10 FHCAMO Cc1[nH+]ccn1[C@H](C)CC(=O)NCCc1c(C)n2c3c1cccc3CCC2 ZINC000670466611 571358811 /nfs/dbraw/zinc/35/88/11/571358811.db2.gz WHCNIBNNDFZWAX-OAHLLOKOSA-N 1 1 364.493 3.711 50 10 FHCAMO CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)c(O)c1 ZINC000004556425 207027637 /nfs/dbraw/zinc/02/76/37/207027637.db2.gz JDHDLOFZNGPYJB-QGZVFWFLSA-N 1 1 373.478 3.659 50 10 FHCAMO CN(C)c1ccc2c(c1)[C@@H](N1CC[NH+](C)CC1)Cc1ccccc1S2 ZINC000075373227 208193330 /nfs/dbraw/zinc/19/33/30/208193330.db2.gz GNEMSMBDWQZUSL-IBGZPJMESA-N 1 1 353.535 3.748 50 10 FHCAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3O)C2)c(OC)c1 ZINC000012701257 570756904 /nfs/dbraw/zinc/75/69/04/570756904.db2.gz OOTDKQQRWIQFBH-INIZCTEOSA-N 1 1 355.434 3.504 50 10 FHCAMO C[NH+]1CCN(C(=O)/C=C2\c3ccsc3SCc3ccccc32)CC1 ZINC000211138084 570968401 /nfs/dbraw/zinc/96/84/01/570968401.db2.gz SJAMKFQZOQQNKX-ATVHPVEESA-N 1 1 356.516 3.560 50 10 FHCAMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCc3sccc3C2)c1O ZINC000014310036 571271943 /nfs/dbraw/zinc/27/19/43/571271943.db2.gz UOQFHPRUJQEVDQ-UHFFFAOYSA-N 1 1 353.443 3.952 50 10 FHCAMO COc1ccc2c(c1)[C@H]([NH+]1CCN(C)CC1)Cc1ccc(F)cc1S2 ZINC000022865460 207823244 /nfs/dbraw/zinc/82/32/44/207823244.db2.gz BDHGVPCSJFFQKK-GOSISDBHSA-N 1 1 358.482 3.830 50 10 FHCAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](CCC=C(C)C)C3)CC2)cc1 ZINC000072151678 136142922 /nfs/dbraw/zinc/14/29/22/136142922.db2.gz YPOPDSHBZXRDAF-OAQYLSRUSA-N 1 1 357.542 3.638 50 10 FHCAMO COc1ccc2c(c1)[C@@H]([NH+]1CCN(C)CC1)Cc1ccc(F)cc1S2 ZINC000022865485 570951638 /nfs/dbraw/zinc/95/16/38/570951638.db2.gz BDHGVPCSJFFQKK-SFHVURJKSA-N 1 1 358.482 3.830 50 10 FHCAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(N(C)C)cc2)N3)C1 ZINC000004124911 571049274 /nfs/dbraw/zinc/04/92/74/571049274.db2.gz DQWUDUSFQFSMHI-KRWDZBQOSA-N 1 1 356.495 3.621 50 10 FHCAMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccc3c(c1)OCCCO3)OCO2 ZINC000012850250 571128593 /nfs/dbraw/zinc/12/85/93/571128593.db2.gz KXUTWNJSZJUBBQ-INIZCTEOSA-N 1 1 369.417 3.619 50 10 FHCAMO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000003328328 206970456 /nfs/dbraw/zinc/97/04/56/206970456.db2.gz RYXDTMFAHQIJHV-LJQANCHMSA-N 1 1 351.450 3.720 50 10 FHCAMO COc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)c1O ZINC000004555220 207027460 /nfs/dbraw/zinc/02/74/60/207027460.db2.gz NRBYVVWJGUGJAE-QGZVFWFLSA-N 1 1 373.478 3.658 50 10 FHCAMO Cc1cc(C[NH2+]Cc2nnc3ccccn32)c(C)n1-c1ccc2c(c1)CCC2 ZINC000008166290 207221888 /nfs/dbraw/zinc/22/18/88/207221888.db2.gz SHJHQYIQSFYHNK-UHFFFAOYSA-N 1 1 371.488 3.915 50 10 FHCAMO COc1ccc(N2CC[N@@H+](Cc3nc4ccccc4nc3C)[C@H](C)C2)cc1 ZINC000106961376 132266144 /nfs/dbraw/zinc/26/61/44/132266144.db2.gz UATKCWXRNZOKCF-MRXNPFEDSA-N 1 1 362.477 3.658 50 10 FHCAMO COc1cccc(CN2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1O ZINC000019774553 263376141 /nfs/dbraw/zinc/37/61/41/263376141.db2.gz NNJIUQHNVBUKHY-FQEVSTJZSA-N 1 1 354.494 3.540 50 10 FHCAMO COc1cccc(C[N@@H+]2CCC[C@H](N(C)CCc3ccccc3)C2)c1O ZINC000019774553 263376144 /nfs/dbraw/zinc/37/61/44/263376144.db2.gz NNJIUQHNVBUKHY-FQEVSTJZSA-N 1 1 354.494 3.540 50 10 FHCAMO COc1cccc(C[N@H+]2CCC[C@H](N(C)CCc3ccccc3)C2)c1O ZINC000019774553 263376147 /nfs/dbraw/zinc/37/61/47/263376147.db2.gz NNJIUQHNVBUKHY-FQEVSTJZSA-N 1 1 354.494 3.540 50 10 FHCAMO COc1cccc(CN2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1O ZINC000019774551 263376460 /nfs/dbraw/zinc/37/64/60/263376460.db2.gz NNJIUQHNVBUKHY-HXUWFJFHSA-N 1 1 354.494 3.540 50 10 FHCAMO COc1cccc(C[N@@H+]2CCC[C@@H](N(C)CCc3ccccc3)C2)c1O ZINC000019774551 263376462 /nfs/dbraw/zinc/37/64/62/263376462.db2.gz NNJIUQHNVBUKHY-HXUWFJFHSA-N 1 1 354.494 3.540 50 10 FHCAMO COc1cccc(C[N@H+]2CCC[C@@H](N(C)CCc3ccccc3)C2)c1O ZINC000019774551 263376464 /nfs/dbraw/zinc/37/64/64/263376464.db2.gz NNJIUQHNVBUKHY-HXUWFJFHSA-N 1 1 354.494 3.540 50 10 FHCAMO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)cc1 ZINC000025476898 570996405 /nfs/dbraw/zinc/99/64/05/570996405.db2.gz GAPRUPVDKOSGLU-UHFFFAOYSA-N 1 1 357.450 3.814 50 10 FHCAMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2O)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071745889 571164415 /nfs/dbraw/zinc/16/44/15/571164415.db2.gz KFHMOTJEVPMSGJ-HXUWFJFHSA-N 1 1 370.468 3.790 50 10 FHCAMO NC(=O)[C@H]1CCC[N@@H+](CCC=C2c3ccccc3CCc3ccccc32)C1 ZINC000196922999 571310199 /nfs/dbraw/zinc/31/01/99/571310199.db2.gz BNJRGBGMOJJNOQ-FQEVSTJZSA-N 1 1 360.501 3.804 50 10 FHCAMO Cc1ccc(O)c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)c1 ZINC000004553996 207027774 /nfs/dbraw/zinc/02/77/74/207027774.db2.gz WGKYPIFZIFRCJG-KRWDZBQOSA-N 1 1 357.479 3.958 50 10 FHCAMO CC(=O)c1ccc(N2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)c(F)c1 ZINC000008747217 571059014 /nfs/dbraw/zinc/05/90/14/571059014.db2.gz GZDAZZHIKVVXQD-UHFFFAOYSA-N 1 1 368.452 3.545 50 10 FHCAMO O=C(C[NH+]1CCCCC1)N1N=C(c2cccs2)C[C@H]1c1ccccc1O ZINC000009260793 571102792 /nfs/dbraw/zinc/10/27/92/571102792.db2.gz YPRREHDYPRBWBZ-KRWDZBQOSA-N 1 1 369.490 3.617 50 10 FHCAMO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2c(O)ccc3ccccc32)N1c1ccccc1F ZINC000020110052 211267780 /nfs/dbraw/zinc/26/77/80/211267780.db2.gz SPZKYJGKTAZAEH-YWZLYKJASA-N 1 1 362.404 3.674 50 10 FHCAMO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2c(O)ccc3ccccc32)N1c1ccccc1F ZINC000020110052 211267775 /nfs/dbraw/zinc/26/77/75/211267775.db2.gz SPZKYJGKTAZAEH-YWZLYKJASA-N 1 1 362.404 3.674 50 10 FHCAMO COc1ccc(N2CC[NH+](Cc3ccccc3Br)CC2)cc1 ZINC000055543263 132303248 /nfs/dbraw/zinc/30/32/48/132303248.db2.gz DXPUQIAARRIDTM-UHFFFAOYSA-N 1 1 361.283 3.780 50 10 FHCAMO CCOc1cccc(C[N@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)c1O ZINC000019841368 521341750 /nfs/dbraw/zinc/34/17/50/521341750.db2.gz FXBWUMYZDFNSIT-NRFANRHFSA-N 1 1 366.505 3.814 50 10 FHCAMO CCOc1cccc(CN2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)c1O ZINC000019841368 521341755 /nfs/dbraw/zinc/34/17/55/521341755.db2.gz FXBWUMYZDFNSIT-NRFANRHFSA-N 1 1 366.505 3.814 50 10 FHCAMO CCOc1cccc(CN2CCC[C@H]([N@H+]3CCc4ccccc4C3)C2)c1O ZINC000019841368 521341762 /nfs/dbraw/zinc/34/17/62/521341762.db2.gz FXBWUMYZDFNSIT-NRFANRHFSA-N 1 1 366.505 3.814 50 10 FHCAMO O=C(C[NH+]1CCCCC1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O ZINC000009260794 571102865 /nfs/dbraw/zinc/10/28/65/571102865.db2.gz YPRREHDYPRBWBZ-QGZVFWFLSA-N 1 1 369.490 3.617 50 10 FHCAMO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000003328326 571180140 /nfs/dbraw/zinc/18/01/40/571180140.db2.gz RYXDTMFAHQIJHV-IBGZPJMESA-N 1 1 351.450 3.720 50 10 FHCAMO CN(C)c1ccc(C[N@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC000252509989 571281444 /nfs/dbraw/zinc/28/14/44/571281444.db2.gz YZOIKHHUKZLFSW-NRFANRHFSA-N 1 1 359.514 3.728 50 10 FHCAMO Cc1[nH+]ccn1[C@@H](C)CC(=O)NCCc1c(C)n2c3c1cccc3CCC2 ZINC000670466610 571358803 /nfs/dbraw/zinc/35/88/03/571358803.db2.gz WHCNIBNNDFZWAX-HNNXBMFYSA-N 1 1 364.493 3.711 50 10 FHCAMO COc1ccc(OC)c2c1C[N@@H+](Cc1c(O)ccc3ccccc31)C[C@H]2O ZINC000029543385 571041651 /nfs/dbraw/zinc/04/16/51/571041651.db2.gz AIRPGKLQFSHMOD-LJQANCHMSA-N 1 1 365.429 3.612 50 10 FHCAMO O=C(C[NH+]1CCCCC1)N1N=C(c2ccccc2O)C[C@H]1c1cccs1 ZINC000170612665 571267865 /nfs/dbraw/zinc/26/78/65/571267865.db2.gz BMQXYFXKMKZNNK-KRWDZBQOSA-N 1 1 369.490 3.617 50 10 FHCAMO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2O)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071745888 221358470 /nfs/dbraw/zinc/35/84/70/221358470.db2.gz KFHMOTJEVPMSGJ-FQEVSTJZSA-N 1 1 370.468 3.790 50 10 FHCAMO C[NH+]1CCN(C(=O)/C=C2/c3ccsc3SCc3ccccc32)CC1 ZINC000096234785 222093070 /nfs/dbraw/zinc/09/30/70/222093070.db2.gz SJAMKFQZOQQNKX-SFQUDFHCSA-N 1 1 356.516 3.560 50 10 FHCAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)c1 ZINC000012058058 570715916 /nfs/dbraw/zinc/71/59/16/570715916.db2.gz ACNSACAFQDCKCJ-CYBMUJFWSA-N 1 1 361.388 3.774 50 10 FHCAMO CC[C@@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000012935492 211010573 /nfs/dbraw/zinc/01/05/73/211010573.db2.gz LHXUNQCNEGPLTG-CQSZACIVSA-N 1 1 350.256 3.919 50 10 FHCAMO c1ccc([C@H]2CCC[N@H+]2C2CCN(c3ccc4c(c3)OCO4)CC2)nc1 ZINC000065493676 221225083 /nfs/dbraw/zinc/22/50/83/221225083.db2.gz CBAPKOVKHXASAE-LJQANCHMSA-N 1 1 351.450 3.616 50 10 FHCAMO Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000057949345 136130264 /nfs/dbraw/zinc/13/02/64/136130264.db2.gz RQECVMOMMSMUMK-QFIPXVFZSA-N 1 1 368.521 3.857 50 10 FHCAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)c1 ZINC000012058059 570716064 /nfs/dbraw/zinc/71/60/64/570716064.db2.gz ACNSACAFQDCKCJ-ZDUSSCGKSA-N 1 1 361.388 3.774 50 10 FHCAMO COc1ccc2ccc(O)c(C[N@@H+](C[C@H]3CCCO3)C[C@@H]3CCCO3)c2c1 ZINC000047404968 570887839 /nfs/dbraw/zinc/88/78/39/570887839.db2.gz KLSNIUBHKUGBJB-KDURUIRLSA-N 1 1 371.477 3.714 50 10 FHCAMO COc1ccc(OC)c2c1C[N@@H+](Cc1c(O)ccc3ccccc31)C[C@@H]2O ZINC000029543384 571041568 /nfs/dbraw/zinc/04/15/68/571041568.db2.gz AIRPGKLQFSHMOD-IBGZPJMESA-N 1 1 365.429 3.612 50 10 FHCAMO COc1cccc(O)c1CN1CCC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000020784137 526212491 /nfs/dbraw/zinc/21/24/91/526212491.db2.gz GJWFMMSNZQJSRQ-LJQANCHMSA-N 1 1 354.494 3.540 50 10 FHCAMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](c3nc4cccnc4n3C)C2)cc1 ZINC000065285294 571260064 /nfs/dbraw/zinc/26/00/64/571260064.db2.gz LSCBEHSSWHIICF-GOSISDBHSA-N 1 1 363.509 3.804 50 10 FHCAMO O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1C[NH+]1CCCCC1 ZINC000013398586 211031985 /nfs/dbraw/zinc/03/19/85/211031985.db2.gz BZSQDYGXJOOSHL-UVTDQMKNSA-N 1 1 352.912 3.985 50 10 FHCAMO Oc1c(Br)cccc1C[NH2+]Cc1ccccc1-n1cccn1 ZINC000095954753 221979650 /nfs/dbraw/zinc/97/96/50/221979650.db2.gz YJNRPWISVDJUHT-UHFFFAOYSA-N 1 1 358.239 3.630 50 10 FHCAMO Oc1ccccc1C[N@H+]1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095380880 570458851 /nfs/dbraw/zinc/45/88/51/570458851.db2.gz SSCZQQFDIVJARL-MTNREXPMSA-N 1 1 370.443 3.733 50 10 FHCAMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccc3c(c1)OCCCO3)OCO2 ZINC000012850243 571128636 /nfs/dbraw/zinc/12/86/36/571128636.db2.gz KXUTWNJSZJUBBQ-MRXNPFEDSA-N 1 1 369.417 3.619 50 10 FHCAMO CCCn1c2ncccc2nc1[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000065285362 571260000 /nfs/dbraw/zinc/26/00/00/571260000.db2.gz FYSQEBCERIHJGT-SFHVURJKSA-N 1 1 363.509 3.897 50 10 FHCAMO COc1cccc(C(=O)c2coc3ccc(O)c(C[NH+]4CCCC4)c23)c1 ZINC000604419434 568276630 /nfs/dbraw/zinc/27/66/30/568276630.db2.gz OSXMSUVNDMPUID-UHFFFAOYSA-N 1 1 351.402 3.974 50 10 FHCAMO COc1ccc(CC[N@@H+](Cc2ccccc2[O-])CC2CC[NH+](C)CC2)cc1 ZINC000011816828 570707740 /nfs/dbraw/zinc/70/77/40/570707740.db2.gz MPBRXXQZTMKSIZ-UHFFFAOYSA-N 1 1 368.521 3.787 50 10 FHCAMO COc1ccc(CC[N@H+](Cc2ccccc2[O-])CC2CC[NH+](C)CC2)cc1 ZINC000011816828 570707742 /nfs/dbraw/zinc/70/77/42/570707742.db2.gz MPBRXXQZTMKSIZ-UHFFFAOYSA-N 1 1 368.521 3.787 50 10 FHCAMO CC(=O)c1ccc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)c(F)c1 ZINC000009322868 571105178 /nfs/dbraw/zinc/10/51/78/571105178.db2.gz UIQFRWDOYMXQQO-UHFFFAOYSA-N 1 1 356.441 3.673 50 10 FHCAMO CCCn1c2ncccc2nc1[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000065285361 571260073 /nfs/dbraw/zinc/26/00/73/571260073.db2.gz FYSQEBCERIHJGT-GOSISDBHSA-N 1 1 363.509 3.897 50 10 FHCAMO COc1ccc(N2CC[N@H+](Cc3ccnc(C(C)C)n3)CC2(C)C)cc1 ZINC000072128353 136142254 /nfs/dbraw/zinc/14/22/54/136142254.db2.gz VDXCXNFKNNXZGY-UHFFFAOYSA-N 1 1 354.498 3.709 50 10 FHCAMO COc1ccc(N2CC[N@@H+](Cc3ccnc(C(C)C)n3)CC2(C)C)cc1 ZINC000072128353 136142255 /nfs/dbraw/zinc/14/22/55/136142255.db2.gz VDXCXNFKNNXZGY-UHFFFAOYSA-N 1 1 354.498 3.709 50 10 FHCAMO CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)c3ccccc3OC)C2)c1O ZINC000011932982 570711851 /nfs/dbraw/zinc/71/18/51/570711851.db2.gz OPOKDGFSSQDKQH-MRXNPFEDSA-N 1 1 369.461 3.894 50 10 FHCAMO CCOC(=O)c1cc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)on1 ZINC000012410828 570742946 /nfs/dbraw/zinc/74/29/46/570742946.db2.gz LDRXQWINAAUQDW-OAHLLOKOSA-N 1 1 357.454 3.692 50 10 FHCAMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](c3nc4cccnc4n3C)C2)cc1 ZINC000065285293 571260091 /nfs/dbraw/zinc/26/00/91/571260091.db2.gz LSCBEHSSWHIICF-SFHVURJKSA-N 1 1 363.509 3.804 50 10 FHCAMO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(OC)cc3O)C2)c1 ZINC000012595037 220011429 /nfs/dbraw/zinc/01/14/29/220011429.db2.gz REKMWRWPKPTDFJ-QGZVFWFLSA-N 1 1 355.434 3.504 50 10 FHCAMO Cc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)c1O ZINC000004554072 570833674 /nfs/dbraw/zinc/83/36/74/570833674.db2.gz WFZIOUOSARXAEG-QGZVFWFLSA-N 1 1 357.479 3.958 50 10 FHCAMO Cc1c(C)c(=O)oc2c1ccc([O-])c2C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000085878681 571127317 /nfs/dbraw/zinc/12/73/17/571127317.db2.gz MMCKWDBPDYZIFC-HXUWFJFHSA-N 1 1 365.429 3.689 50 10 FHCAMO Cc1c(C)c(=O)oc2c1ccc([O-])c2CN1CCO[C@@H](c2ccccc2)C1 ZINC000085878681 571127320 /nfs/dbraw/zinc/12/73/20/571127320.db2.gz MMCKWDBPDYZIFC-HXUWFJFHSA-N 1 1 365.429 3.689 50 10 FHCAMO Cc1ccc(O)c([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)c1 ZINC000004553997 570833792 /nfs/dbraw/zinc/83/37/92/570833792.db2.gz WGKYPIFZIFRCJG-QGZVFWFLSA-N 1 1 357.479 3.958 50 10 FHCAMO CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)c(O)c1 ZINC000004556424 570834755 /nfs/dbraw/zinc/83/47/55/570834755.db2.gz JDHDLOFZNGPYJB-KRWDZBQOSA-N 1 1 373.478 3.659 50 10 FHCAMO CCC[NH+](CCC)CN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O ZINC000033908411 263397359 /nfs/dbraw/zinc/39/73/59/263397359.db2.gz WITDGCSPBMTFDF-LGMDPLHJSA-N 1 1 361.511 3.868 50 10 FHCAMO Cc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)c(O)c1 ZINC000004554076 570833515 /nfs/dbraw/zinc/83/35/15/570833515.db2.gz MSZYWPCMZVGQIO-KRWDZBQOSA-N 1 1 357.479 3.958 50 10 FHCAMO COc1ccc(OC)c(C(=O)c2c(C)oc3ccc(O)c(C[NH+](C)C)c32)c1 ZINC000001323548 219394683 /nfs/dbraw/zinc/39/46/83/219394683.db2.gz ULJLYYRGIKRODT-UHFFFAOYSA-N 1 1 369.417 3.757 50 10 biogenic FHCAMO COc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(OC)c3O)C2)c1 ZINC000012583003 220009603 /nfs/dbraw/zinc/00/96/03/220009603.db2.gz JWYSABMMTSUXPE-INIZCTEOSA-N 1 1 355.434 3.504 50 10 FHCAMO COc1ccc2c(c1)Sc1ccc(OC)cc1[C@@H]([NH+]1CCN(C)CC1)C2 ZINC000019801801 220297991 /nfs/dbraw/zinc/29/79/91/220297991.db2.gz RSAOZNACNLUFOP-IBGZPJMESA-N 1 1 370.518 3.700 50 10 FHCAMO COc1ccc(NN=C(C(N)=O)C2=NC(C)(C)Cc3ccccc32)cc1 ZINC000100705986 222250398 /nfs/dbraw/zinc/25/03/98/222250398.db2.gz YMOUMBLAHTXJKV-QZOSNYCWSA-N 1 1 350.422 3.557 50 10 FHCAMO COc1ccc(NN=C(C(N)=O)C2=[NH+]C(C)(C)Cc3ccccc32)cc1 ZINC000100705986 222250403 /nfs/dbraw/zinc/25/04/03/222250403.db2.gz YMOUMBLAHTXJKV-QZOSNYCWSA-N 1 1 350.422 3.557 50 10 FHCAMO CC[NH+]1CCN(CC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)CC1 ZINC000019902615 521677343 /nfs/dbraw/zinc/67/73/43/521677343.db2.gz PYGUKEDNWMXOBT-UHFFFAOYSA-N 1 1 353.510 3.531 50 10 FHCAMO CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)c3ccccc3OC)C2)c1O ZINC000011932983 570711985 /nfs/dbraw/zinc/71/19/85/570711985.db2.gz OPOKDGFSSQDKQH-INIZCTEOSA-N 1 1 369.461 3.894 50 10 FHCAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000065498554 221227351 /nfs/dbraw/zinc/22/73/51/221227351.db2.gz DOGHWHKTGIJSKV-SFHVURJKSA-N 1 1 369.465 3.826 50 10 FHCAMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)c1 ZINC000071748927 221360777 /nfs/dbraw/zinc/36/07/77/221360777.db2.gz ZCYHDTPEDVMDDX-KRWDZBQOSA-N 1 1 367.445 3.833 50 10 FHCAMO CC(=O)c1ccc(N2CC[NH+](C/C=C/c3ccc(N(C)C)cc3)CC2)cc1 ZINC000012380100 570740485 /nfs/dbraw/zinc/74/04/85/570740485.db2.gz SWQTVMMDZAQMCE-SNAWJCMRSA-N 1 1 363.505 3.791 50 10 FHCAMO C[N@H+](Cc1ccccc1N1CCCCC1)Cc1cc2c(cc1O)OCO2 ZINC000007317976 571264316 /nfs/dbraw/zinc/26/43/16/571264316.db2.gz AUPPSQWIODSSOS-UHFFFAOYSA-N 1 1 354.450 3.743 50 10 FHCAMO COc1ccc2c(c1)C[C@@H]([NH+]1CCN(C)CC1)c1cc(OC)ccc1S2 ZINC000019802406 220298933 /nfs/dbraw/zinc/29/89/33/220298933.db2.gz CNYRNWBKXAGLAB-LJQANCHMSA-N 1 1 370.518 3.700 50 10 FHCAMO Cc1cccc(C[N@H+]2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)c1O ZINC000067909195 221303925 /nfs/dbraw/zinc/30/39/25/221303925.db2.gz SERAFXNPOFFDAV-UHFFFAOYSA-N 1 1 364.401 3.643 50 10 FHCAMO C[N@@H+](Cc1ccc(Br)s1)Cc1cc2c(cc1O)OCO2 ZINC000007779396 571288632 /nfs/dbraw/zinc/28/86/32/571288632.db2.gz ABUKOFWZORJTKJ-UHFFFAOYSA-N 1 1 356.241 3.577 50 10 FHCAMO NC(=O)[C@@H]1CCC[N@@H+](CCC=C2c3ccccc3CCc3ccccc32)C1 ZINC000140980365 571310241 /nfs/dbraw/zinc/31/02/41/571310241.db2.gz BNJRGBGMOJJNOQ-HXUWFJFHSA-N 1 1 360.501 3.804 50 10 FHCAMO CC[C@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000012935498 220045261 /nfs/dbraw/zinc/04/52/61/220045261.db2.gz LHXUNQCNEGPLTG-AWEZNQCLSA-N 1 1 350.256 3.919 50 10 FHCAMO COc1ccc(/C=C2/SC(=S)N(C[N@@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000019939490 220307203 /nfs/dbraw/zinc/30/72/03/220307203.db2.gz HIIOTXGMIJLVQE-XDUBLRSXSA-N 1 1 362.520 3.728 50 10 FHCAMO COc1ccc(/C=C2/SC(=S)N(C[N@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000019939490 220307205 /nfs/dbraw/zinc/30/72/05/220307205.db2.gz HIIOTXGMIJLVQE-XDUBLRSXSA-N 1 1 362.520 3.728 50 10 FHCAMO CC(C)(C)c1cccc(C[N@@H+]2CCc3nc[nH]c3[C@H]2c2ccncc2)c1O ZINC000067756957 221281382 /nfs/dbraw/zinc/28/13/82/221281382.db2.gz ILEKBWNEGKTEAS-HXUWFJFHSA-N 1 1 362.477 3.956 50 10 FHCAMO CC(C)(C)c1cccc(C[N@H+]2CCc3nc[nH]c3[C@H]2c2ccncc2)c1O ZINC000067756957 221281383 /nfs/dbraw/zinc/28/13/83/221281383.db2.gz ILEKBWNEGKTEAS-HXUWFJFHSA-N 1 1 362.477 3.956 50 10 FHCAMO CC(C)(C)c1cccc(C[N@@H+]2CCc3nc[nH]c3[C@@H]2c2ccncc2)c1O ZINC000067756954 221281617 /nfs/dbraw/zinc/28/16/17/221281617.db2.gz ILEKBWNEGKTEAS-FQEVSTJZSA-N 1 1 362.477 3.956 50 10 FHCAMO CC(C)(C)c1cccc(C[N@H+]2CCc3nc[nH]c3[C@@H]2c2ccncc2)c1O ZINC000067756954 221281619 /nfs/dbraw/zinc/28/16/19/221281619.db2.gz ILEKBWNEGKTEAS-FQEVSTJZSA-N 1 1 362.477 3.956 50 10 FHCAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](CCC=C(C)C)C3)CC2)cc1 ZINC000072151677 136142825 /nfs/dbraw/zinc/14/28/25/136142825.db2.gz YPOPDSHBZXRDAF-NRFANRHFSA-N 1 1 357.542 3.638 50 10 FHCAMO C[N@@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1O)OCO2 ZINC000009365338 571106410 /nfs/dbraw/zinc/10/64/10/571106410.db2.gz BGGLBCLHCLFWQX-UHFFFAOYSA-N 1 1 350.212 3.515 50 10 FHCAMO Cc1c(C)c(=O)oc2c1ccc([O-])c2C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000085878679 571127286 /nfs/dbraw/zinc/12/72/86/571127286.db2.gz MMCKWDBPDYZIFC-FQEVSTJZSA-N 1 1 365.429 3.689 50 10 FHCAMO Cc1c(C)c(=O)oc2c1ccc([O-])c2CN1CCO[C@H](c2ccccc2)C1 ZINC000085878679 571127288 /nfs/dbraw/zinc/12/72/88/571127288.db2.gz MMCKWDBPDYZIFC-FQEVSTJZSA-N 1 1 365.429 3.689 50 10 FHCAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(C(C)(C)C)ccc2O)N3)C1 ZINC000075286923 571159922 /nfs/dbraw/zinc/15/99/22/571159922.db2.gz RYAJSCULNAHCRR-QGZVFWFLSA-N 1 1 371.506 3.593 50 10 FHCAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(C(C)(C)C)ccc2O)N3)C1 ZINC000075286923 571159925 /nfs/dbraw/zinc/15/99/25/571159925.db2.gz RYAJSCULNAHCRR-QGZVFWFLSA-N 1 1 371.506 3.593 50 10 FHCAMO CC(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035349274 571167199 /nfs/dbraw/zinc/16/71/99/571167199.db2.gz HLCZIWQKJYWFKE-JOCHJYFZSA-N 1 1 365.521 3.624 50 10 FHCAMO COc1ccc(/C=C2\SC(=S)N(C[NH+]3CCC(C)CC3)C2=O)cc1 ZINC000033338899 571236186 /nfs/dbraw/zinc/23/61/86/571236186.db2.gz KLRGCJFVEYCVCM-WJDWOHSUSA-N 1 1 362.520 3.586 50 10 FHCAMO COc1ccc(/C=C2/SC(=S)N(C[N@@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000012436581 571322448 /nfs/dbraw/zinc/32/24/48/571322448.db2.gz HIIOTXGMIJLVQE-KWWJGWKXSA-N 1 1 362.520 3.728 50 10 FHCAMO COc1ccc(/C=C2/SC(=S)N(C[N@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000012436581 571322449 /nfs/dbraw/zinc/32/24/49/571322449.db2.gz HIIOTXGMIJLVQE-KWWJGWKXSA-N 1 1 362.520 3.728 50 10 FHCAMO