smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OCC[C@H]1CN(Cc2ccccc2O)CC[N@H+]1C1CCCCC1 ZINC000019227089 182109056 /nfs/dbraw/zinc/10/90/56/182109056.db2.gz FEBSHQRIIQAYOC-SFHVURJKSA-N 1 1 318.461 2.594 50 10 DFCAMO CN(C)c1ccc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000022366569 182319722 /nfs/dbraw/zinc/31/97/22/182319722.db2.gz KEJXFMJMGDQQLD-UHFFFAOYSA-N 1 1 314.385 2.819 50 10 DFCAMO CCc1ccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)nc1 ZINC000220100878 542879988 /nfs/dbraw/zinc/87/99/88/542879988.db2.gz BDCLVQXRTSNQHJ-UHFFFAOYSA-N 1 1 311.429 2.975 50 10 DFCAMO CC(=O)N[C@H]1CCC[N@H+](Cc2c(C)ccc(C(C)C)c2O)C1 ZINC000095464154 426373674 /nfs/dbraw/zinc/37/36/74/426373674.db2.gz JZAPPRVMVXCBAG-HNNXBMFYSA-N 1 1 304.434 2.925 50 10 DFCAMO COc1ccc(N2CCCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000052511650 277908912 /nfs/dbraw/zinc/90/89/12/277908912.db2.gz HJAGKGFKBWUJIY-UHFFFAOYSA-N 1 1 312.417 2.819 50 10 DFCAMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCC2)cc1 ZINC000072117497 191039202 /nfs/dbraw/zinc/03/92/02/191039202.db2.gz UPHSKEGBNUACFW-DOTOQJQBSA-N 1 1 315.461 2.806 50 10 DFCAMO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(OCC)c1O ZINC000004987178 181185270 /nfs/dbraw/zinc/18/52/70/181185270.db2.gz GXUSXXKHSOXWJW-AWEZNQCLSA-N 1 1 307.390 2.709 50 10 DFCAMO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(OCC)c1O ZINC000004987178 181185271 /nfs/dbraw/zinc/18/52/71/181185271.db2.gz GXUSXXKHSOXWJW-AWEZNQCLSA-N 1 1 307.390 2.709 50 10 DFCAMO CCCN1CC[NH+](Cc2cc(-c3ccccn3)ccc2O)CC1 ZINC000023362825 182358214 /nfs/dbraw/zinc/35/82/14/182358214.db2.gz XNCDHUJEIQEOAZ-UHFFFAOYSA-N 1 1 311.429 2.982 50 10 DFCAMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)C1(C)C ZINC000097010284 185396555 /nfs/dbraw/zinc/39/65/55/185396555.db2.gz WGRNYFDRNAMIFB-DOTOQJQBSA-N 1 1 307.390 2.756 50 10 DFCAMO COc1ccc(O)c(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019608609 182133572 /nfs/dbraw/zinc/13/35/72/182133572.db2.gz BQSBBLWCKVMYOZ-UHFFFAOYSA-N 1 1 312.413 2.719 50 10 DFCAMO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)Cc1ccccc1O ZINC000069698775 425953836 /nfs/dbraw/zinc/95/38/36/425953836.db2.gz QWTKNGGHCAPPMR-NSHDSACASA-N 1 1 319.792 2.900 50 10 DFCAMO COc1ccc(N2CCC([N@H+](C)Cc3ccon3)CC2)cc1 ZINC000072801498 426020519 /nfs/dbraw/zinc/02/05/19/426020519.db2.gz BYRXLLVUEMORIT-UHFFFAOYSA-N 1 1 301.390 2.784 50 10 DFCAMO COc1ccc(N2CCC([N@@H+](C)Cc3ccon3)CC2)cc1 ZINC000072801498 426020522 /nfs/dbraw/zinc/02/05/22/426020522.db2.gz BYRXLLVUEMORIT-UHFFFAOYSA-N 1 1 301.390 2.784 50 10 DFCAMO O=C1NCCCCC[N@H+](Cc2cccc(F)c2[O-])[C@H]2CCC[C@@H]12 ZINC000257185609 427307396 /nfs/dbraw/zinc/30/73/96/427307396.db2.gz XFDCCRSVXPFCSI-ZBFHGGJFSA-N 1 1 320.408 2.802 50 10 DFCAMO O=C1NCCCCC[N@@H+](Cc2cccc(F)c2O)[C@H]2CCC[C@@H]12 ZINC000257185609 427307400 /nfs/dbraw/zinc/30/74/00/427307400.db2.gz XFDCCRSVXPFCSI-ZBFHGGJFSA-N 1 1 320.408 2.802 50 10 DFCAMO O=C1NCCCCC[N@H+](Cc2cccc(F)c2O)[C@H]2CCC[C@@H]12 ZINC000257185609 427307407 /nfs/dbraw/zinc/30/74/07/427307407.db2.gz XFDCCRSVXPFCSI-ZBFHGGJFSA-N 1 1 320.408 2.802 50 10 DFCAMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc3n2CCCCC3)c1 ZINC000097033257 185399578 /nfs/dbraw/zinc/39/95/78/185399578.db2.gz ISUJLJZMSHJRBX-GFCCVEGCSA-N 1 1 316.405 2.570 50 10 DFCAMO Oc1cc2c(cc1[C@H](c1ccccc1)[NH+]1CCOCC1)OCO2 ZINC000020730681 182244267 /nfs/dbraw/zinc/24/42/67/182244267.db2.gz XENZXHOCRWCNQK-SFHVURJKSA-N 1 1 313.353 2.543 50 10 DFCAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000000199766 425545885 /nfs/dbraw/zinc/54/58/85/425545885.db2.gz KJOMMTWHMFNFFY-QGZVFWFLSA-N 1 1 317.477 2.833 50 10 DFCAMO C[N@@H+](CC(=O)NC(C)(C)C)Cc1c(O)ccc2ccccc21 ZINC000008147861 425661308 /nfs/dbraw/zinc/66/13/08/425661308.db2.gz FXFNLNOZODEMEI-UHFFFAOYSA-N 1 1 300.402 2.892 50 10 DFCAMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCC2)cc1 ZINC000072117498 426009784 /nfs/dbraw/zinc/00/97/84/426009784.db2.gz UPHSKEGBNUACFW-NVXWUHKLSA-N 1 1 315.461 2.806 50 10 DFCAMO C[C@@H](C(=O)NCCc1ccccc1)[N@@H+](C)Cc1ccccc1O ZINC000095397356 185353233 /nfs/dbraw/zinc/35/32/33/185353233.db2.gz ZWYGVMALYXWAGF-HNNXBMFYSA-N 1 1 312.413 2.571 50 10 DFCAMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)C1(C)C ZINC000097010289 185396745 /nfs/dbraw/zinc/39/67/45/185396745.db2.gz WGRNYFDRNAMIFB-RDJZCZTQSA-N 1 1 307.390 2.756 50 10 DFCAMO CC[NH+]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000070714752 398597215 /nfs/dbraw/zinc/59/72/15/398597215.db2.gz FZSSWQAUEVMHEU-UHFFFAOYSA-N 1 1 311.429 2.872 50 10 DFCAMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000065469008 184350785 /nfs/dbraw/zinc/35/07/85/184350785.db2.gz LPEYRWKBXLDRHR-OAHLLOKOSA-N 1 1 302.418 2.535 50 10 DFCAMO Cc1cc(C(=O)N2CC[NH+](C)CC2)c(C)n1-c1cccc(C)c1 ZINC000068050445 425915882 /nfs/dbraw/zinc/91/58/82/425915882.db2.gz RMJTXRDPOHJPPB-UHFFFAOYSA-N 1 1 311.429 2.790 50 10 DFCAMO COc1ccc2ccc(O)c(C[N@@H+](C)CC(=O)NC(C)C)c2c1 ZINC000008184368 425663389 /nfs/dbraw/zinc/66/33/89/425663389.db2.gz RORRZMBIUBJLPD-UHFFFAOYSA-N 1 1 316.401 2.510 50 10 DFCAMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)C1(C)C ZINC000097010281 185396666 /nfs/dbraw/zinc/39/66/66/185396666.db2.gz WGRNYFDRNAMIFB-NVXWUHKLSA-N 1 1 307.390 2.756 50 10 DFCAMO COc1ccc(N2CC[NH+](Cc3c(C)noc3C)CC2)cc1 ZINC000057290241 425896317 /nfs/dbraw/zinc/89/63/17/425896317.db2.gz NPCVMPIUDKCTKV-UHFFFAOYSA-N 1 1 301.390 2.622 50 10 DFCAMO Cc1cccc(NC2CCN(C(=O)C3=CC(=O)CS3)CC2)[nH+]1 ZINC000102735762 425927104 /nfs/dbraw/zinc/92/71/04/425927104.db2.gz ADLOAFDSWGGRAX-UHFFFAOYSA-N 1 1 317.414 2.874 50 10 DFCAMO Cc1ncc2c(n1)CC[N@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000044979265 425859234 /nfs/dbraw/zinc/85/92/34/425859234.db2.gz OJPDRCGLYBKJKO-UHFFFAOYSA-N 1 1 306.369 2.597 50 10 DFCAMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCC2)cc1 ZINC000072117500 191039034 /nfs/dbraw/zinc/03/90/34/191039034.db2.gz UPHSKEGBNUACFW-WBVHZDCISA-N 1 1 315.461 2.806 50 10 DFCAMO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(OCC)c1O ZINC000004987174 181184979 /nfs/dbraw/zinc/18/49/79/181184979.db2.gz GXUSXXKHSOXWJW-CQSZACIVSA-N 1 1 307.390 2.709 50 10 DFCAMO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(OCC)c1O ZINC000004987174 181184980 /nfs/dbraw/zinc/18/49/80/181184980.db2.gz GXUSXXKHSOXWJW-CQSZACIVSA-N 1 1 307.390 2.709 50 10 DFCAMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1C ZINC000054521142 425890683 /nfs/dbraw/zinc/89/06/83/425890683.db2.gz MVUKKLRASMMNMA-MRXNPFEDSA-N 1 1 316.445 2.747 50 10 DFCAMO COc1cccc(C[N@H+](CCN(C)C)Cc2ccccc2)c1O ZINC000020029404 182181691 /nfs/dbraw/zinc/18/16/91/182181691.db2.gz SVNKJEUHAUNROG-UHFFFAOYSA-N 1 1 314.429 2.965 50 10 DFCAMO COc1cccc(C[N@@H+](CCN(C)C)Cc2ccccc2)c1O ZINC000020029404 182181692 /nfs/dbraw/zinc/18/16/92/182181692.db2.gz SVNKJEUHAUNROG-UHFFFAOYSA-N 1 1 314.429 2.965 50 10 DFCAMO Cc1cc(C[N@H+](C)Cc2cc(-c3cnccn3)ccc2O)on1 ZINC000011977749 425716000 /nfs/dbraw/zinc/71/60/00/425716000.db2.gz KQXDHGKOCGHAAC-UHFFFAOYSA-N 1 1 310.357 2.778 50 10 DFCAMO CCn1cc(C[N@@H+]2CCN(c3ccc(OC)cc3)C[C@@H]2C)cn1 ZINC000072154439 191059743 /nfs/dbraw/zinc/05/97/43/191059743.db2.gz FIDWCEDAIGWMGN-HNNXBMFYSA-N 1 1 314.433 2.622 50 10 DFCAMO CCn1cc(C[N@H+]2CCN(c3ccc(OC)cc3)C[C@@H]2C)cn1 ZINC000072154439 191059745 /nfs/dbraw/zinc/05/97/45/191059745.db2.gz FIDWCEDAIGWMGN-HNNXBMFYSA-N 1 1 314.433 2.622 50 10 DFCAMO Oc1ccc(-c2csc([C@H]3C[N@H+]4CCC[C@H]4CO3)n2)cc1O ZINC000363099223 257236227 /nfs/dbraw/zinc/23/62/27/257236227.db2.gz NPMFFIHKNWKDMW-XHDPSFHLSA-N 1 1 318.398 2.757 50 10 DFCAMO Oc1ccc(-c2csc([C@@H]3C[N@H+]4CCC[C@H]4CO3)n2)cc1O ZINC000363099221 257236455 /nfs/dbraw/zinc/23/64/55/257236455.db2.gz NPMFFIHKNWKDMW-NHYWBVRUSA-N 1 1 318.398 2.757 50 10 DFCAMO COc1ccc(N2CCC[N@@H+]([C@H](C)c3nnc(C)o3)CC2)cc1 ZINC000071819478 425991633 /nfs/dbraw/zinc/99/16/33/425991633.db2.gz NDJZOVZAGCGVIL-CYBMUJFWSA-N 1 1 316.405 2.660 50 10 DFCAMO COc1ccc(N2CCC[N@H+]([C@H](C)c3nnc(C)o3)CC2)cc1 ZINC000071819478 425991636 /nfs/dbraw/zinc/99/16/36/425991636.db2.gz NDJZOVZAGCGVIL-CYBMUJFWSA-N 1 1 316.405 2.660 50 10 DFCAMO CC(C)OCc1cc(C[NH+]2CCOCC2)c(O)c2ncccc12 ZINC000020439871 182218263 /nfs/dbraw/zinc/21/82/63/182218263.db2.gz PKPPALNALZQQFY-UHFFFAOYSA-N 1 1 316.401 2.698 50 10 DFCAMO O=C1/C(=C/c2ccco2)SC(=S)N1C[NH+]1CCCCC1 ZINC000024716550 182388733 /nfs/dbraw/zinc/38/87/33/182388733.db2.gz BKNUGQLMVSONJJ-XFXZXTDPSA-N 1 1 308.428 2.924 50 10 DFCAMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(N)cc1)CC2 ZINC000002541718 425595120 /nfs/dbraw/zinc/59/51/20/425595120.db2.gz DGOOLMGPMIHRFY-UHFFFAOYSA-N 1 1 312.413 2.887 50 10 DFCAMO Cn1cc(C[N@H+](C)Cc2c(O)cccc2OC(F)(F)F)cn1 ZINC000583651267 430414668 /nfs/dbraw/zinc/41/46/68/430414668.db2.gz JUROLHPQFIDJLG-UHFFFAOYSA-N 1 1 315.295 2.656 50 10 DFCAMO Cn1cc(C[N@@H+](C)Cc2c(O)cccc2OC(F)(F)F)cn1 ZINC000583651267 430414673 /nfs/dbraw/zinc/41/46/73/430414673.db2.gz JUROLHPQFIDJLG-UHFFFAOYSA-N 1 1 315.295 2.656 50 10 DFCAMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000065499970 184355242 /nfs/dbraw/zinc/35/52/42/184355242.db2.gz PWOCUWNPESSMBN-OAHLLOKOSA-N 1 1 312.413 2.894 50 10 DFCAMO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000054517786 425890655 /nfs/dbraw/zinc/89/06/55/425890655.db2.gz LWGPLRZIRFZCLO-HNNXBMFYSA-N 1 1 306.406 2.720 50 10 DFCAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccccc2O)C1)NC1CC1 ZINC000011708165 425712325 /nfs/dbraw/zinc/71/23/25/425712325.db2.gz HRBZMIXTFVMBOZ-CQSZACIVSA-N 1 1 302.418 2.663 50 10 DFCAMO COc1cccc(C[N@H+]2CC[C@@](O)(c3ccccc3C)C2)c1O ZINC000065470498 184350840 /nfs/dbraw/zinc/35/08/40/184350840.db2.gz PEJVOEMVFLEMQY-IBGZPJMESA-N 1 1 313.397 2.803 50 10 DFCAMO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3nnc(C)o3)CC2)cc1 ZINC000071819479 425991178 /nfs/dbraw/zinc/99/11/78/425991178.db2.gz NDJZOVZAGCGVIL-ZDUSSCGKSA-N 1 1 316.405 2.660 50 10 DFCAMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3nnc(C)o3)CC2)cc1 ZINC000071819479 425991180 /nfs/dbraw/zinc/99/11/80/425991180.db2.gz NDJZOVZAGCGVIL-ZDUSSCGKSA-N 1 1 316.405 2.660 50 10 DFCAMO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)Cc1ccccc1O ZINC000069698777 425954708 /nfs/dbraw/zinc/95/47/08/425954708.db2.gz QWTKNGGHCAPPMR-LLVKDONJSA-N 1 1 319.792 2.900 50 10 DFCAMO COc1ccc(N2CC[N@@H+](C[C@@H]3CCOC3)CC2(C)C)cc1 ZINC000072164191 191063933 /nfs/dbraw/zinc/06/39/33/191063933.db2.gz RUKSFPOVGCBDJJ-HNNXBMFYSA-N 1 1 304.434 2.632 50 10 DFCAMO C[C@H](C(=O)NCCc1ccccc1)[N@@H+](C)Cc1ccccc1O ZINC000095397357 185353188 /nfs/dbraw/zinc/35/31/88/185353188.db2.gz ZWYGVMALYXWAGF-OAHLLOKOSA-N 1 1 312.413 2.571 50 10 DFCAMO C[NH+]1CCN(c2ccc(CNc3cccc(F)n3)cc2F)CC1 ZINC000097096011 185409116 /nfs/dbraw/zinc/40/91/16/185409116.db2.gz BMVWMFKGRRKWOD-UHFFFAOYSA-N 1 1 318.371 2.724 50 10 DFCAMO COc1ccc(N2CC[N@@H+](C[C@H]3CCOC3)CC2(C)C)cc1 ZINC000106996925 425982787 /nfs/dbraw/zinc/98/27/87/425982787.db2.gz RUKSFPOVGCBDJJ-OAHLLOKOSA-N 1 1 304.434 2.632 50 10 DFCAMO COc1cccc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)c1O ZINC000065425770 184343031 /nfs/dbraw/zinc/34/30/31/184343031.db2.gz LLWKAAQGTPKVSJ-AWEZNQCLSA-N 1 1 315.369 2.673 50 10 DFCAMO COc1ccc(O)c([C@H](C)[NH2+]Cc2nnc3n2CCCCC3)c1 ZINC000097033256 185399772 /nfs/dbraw/zinc/39/97/72/185399772.db2.gz ISUJLJZMSHJRBX-LBPRGKRZSA-N 1 1 316.405 2.570 50 10 DFCAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000072312033 191119298 /nfs/dbraw/zinc/11/92/98/191119298.db2.gz DETJVSBYXRJOPB-GFCCVEGCSA-N 1 1 323.364 2.509 50 10 DFCAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000072312033 191119300 /nfs/dbraw/zinc/11/93/00/191119300.db2.gz DETJVSBYXRJOPB-GFCCVEGCSA-N 1 1 323.364 2.509 50 10 DFCAMO COc1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000019359561 182118884 /nfs/dbraw/zinc/11/88/84/182118884.db2.gz LGKLDNVNVVARAL-UHFFFAOYSA-N 1 1 312.413 2.719 50 10 DFCAMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCO[C@@H](C)C2)c1O ZINC000024528508 182382738 /nfs/dbraw/zinc/38/27/38/182382738.db2.gz HMNHVPIUBKEXMQ-LBPRGKRZSA-N 1 1 315.369 2.553 50 10 DFCAMO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3nc(C)no3)CC2)cc1 ZINC000052466857 425884611 /nfs/dbraw/zinc/88/46/11/425884611.db2.gz MSOOUIAKQXKXGX-ZDUSSCGKSA-N 1 1 316.405 2.660 50 10 DFCAMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3nc(C)no3)CC2)cc1 ZINC000052466857 425884612 /nfs/dbraw/zinc/88/46/12/425884612.db2.gz MSOOUIAKQXKXGX-ZDUSSCGKSA-N 1 1 316.405 2.660 50 10 DFCAMO CN(C)c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000004982741 425621749 /nfs/dbraw/zinc/62/17/49/425621749.db2.gz IFEGMVNNBXBGLG-SJORKVTESA-N 1 1 323.440 2.534 50 10 DFCAMO CCn1cc(C[N@@H+]2CCN(c3ccc(OC)cc3)C[C@H]2C)cn1 ZINC000106990609 425982458 /nfs/dbraw/zinc/98/24/58/425982458.db2.gz FIDWCEDAIGWMGN-OAHLLOKOSA-N 1 1 314.433 2.622 50 10 DFCAMO CCn1cc(C[N@H+]2CCN(c3ccc(OC)cc3)C[C@H]2C)cn1 ZINC000106990609 425982460 /nfs/dbraw/zinc/98/24/60/425982460.db2.gz FIDWCEDAIGWMGN-OAHLLOKOSA-N 1 1 314.433 2.622 50 10 DFCAMO O=C(CC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1)NC1CC1 ZINC000011708173 425711513 /nfs/dbraw/zinc/71/15/13/425711513.db2.gz HRBZMIXTFVMBOZ-AWEZNQCLSA-N 1 1 302.418 2.663 50 10 DFCAMO Oc1ccccc1C[N@@H+]1CCO[C@H](COc2ccc(F)cc2)C1 ZINC000034670650 425842446 /nfs/dbraw/zinc/84/24/46/425842446.db2.gz DGYGVJSVAQNQBD-KRWDZBQOSA-N 1 1 317.360 2.811 50 10 DFCAMO Oc1ccccc1C[N@H+]1CCO[C@H](COc2ccc(F)cc2)C1 ZINC000034670650 425842447 /nfs/dbraw/zinc/84/24/47/425842447.db2.gz DGYGVJSVAQNQBD-KRWDZBQOSA-N 1 1 317.360 2.811 50 10 DFCAMO CC[N@H+](Cc1ccoc1)Cc1cc(=O)oc2cc(O)c(O)cc12 ZINC000097236594 398666795 /nfs/dbraw/zinc/66/67/95/398666795.db2.gz OVWZXGQVJOQNPO-UHFFFAOYSA-N 1 1 315.325 2.819 50 10 DFCAMO CC[N@@H+](Cc1ccoc1)Cc1cc(=O)oc2cc(O)c(O)cc12 ZINC000097236594 398666800 /nfs/dbraw/zinc/66/68/00/398666800.db2.gz OVWZXGQVJOQNPO-UHFFFAOYSA-N 1 1 315.325 2.819 50 10 DFCAMO COc1cccc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c1O ZINC000065425768 184342896 /nfs/dbraw/zinc/34/28/96/184342896.db2.gz LLWKAAQGTPKVSJ-CQSZACIVSA-N 1 1 315.369 2.673 50 10 DFCAMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000065469004 184350771 /nfs/dbraw/zinc/35/07/71/184350771.db2.gz LPEYRWKBXLDRHR-HNNXBMFYSA-N 1 1 302.418 2.535 50 10 DFCAMO 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