smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]Cc1ccc(N2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000042489537 132352594 /nfs/dbraw/zinc/35/25/94/132352594.db2.gz YGGVDWUPOPZKJA-UHFFFAOYSA-N 2 1 249.333 1.569 10 10 BDCEMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000037484666 173147436 /nfs/dbraw/zinc/14/74/36/173147436.db2.gz VKILTNSLHJYYIF-LLVKDONJSA-N 2 1 220.316 1.434 10 10 BDCEMP C[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027888 176026949 /nfs/dbraw/zinc/02/69/49/176026949.db2.gz WYXIEKSLFIBGBN-QWRGUYRKSA-N 2 1 220.316 1.876 10 10 BDCEMP C[C@@H](c1ccccc1O)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027888 176026950 /nfs/dbraw/zinc/02/69/50/176026950.db2.gz WYXIEKSLFIBGBN-QWRGUYRKSA-N 2 1 220.316 1.876 10 10 BDCEMP C[C@@H](c1ccc(O)cc1O)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245104 176016752 /nfs/dbraw/zinc/01/67/52/176016752.db2.gz HRRGKSYRAAXZET-VHSXEESVSA-N 2 1 236.315 1.439 10 10 BDCEMP C[C@H](c1ccccc1O)[N@H+]1CCC[NH2+]CC1 ZINC000038087010 177042703 /nfs/dbraw/zinc/04/27/03/177042703.db2.gz GXXJQYXGBATFIE-LLVKDONJSA-N 2 1 220.316 1.749 10 10 BDCEMP C[C@H](c1ccccc1O)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245150 177042934 /nfs/dbraw/zinc/04/29/34/177042934.db2.gz GAKOSSDASKDZCR-GHMZBOCLSA-N 2 1 220.316 1.734 10 10 BDCEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]12 ZINC000310434377 632740816 /nfs/dbraw/zinc/74/08/16/632740816.db2.gz QYKIRRFYQHJFIQ-CYZMBNFOSA-N 2 1 232.327 1.561 10 10 BDCEMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1C[NH3+] ZINC000708890252 712202463 /nfs/dbraw/zinc/20/24/63/712202463.db2.gz WJQNWTIBOMHSNB-KOLCDFICSA-N 2 1 238.306 1.558 10 10 BDCEMP Cc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000708885144 712202778 /nfs/dbraw/zinc/20/27/78/712202778.db2.gz WSDXCFFCTGXXNY-AAEUAGOBSA-N 2 1 234.343 1.727 10 10 BDCEMP Cc1[nH+]ccn1CCN(C)c1ccc(C[NH3+])cc1 ZINC000049329623 180249427 /nfs/dbraw/zinc/24/94/27/180249427.db2.gz LTWVPKTXBZZCKK-UHFFFAOYSA-N 2 1 244.342 1.787 10 10 BDCEMP [NH3+]CCCC[C@@H]([NH3+])c1cccc(F)c1O ZINC000575438732 387117737 /nfs/dbraw/zinc/11/77/37/387117737.db2.gz FKTZONNUQJUBPQ-SNVBAGLBSA-N 2 1 212.268 1.660 10 10 BDCEMP C[C@H]1C[N@H+](Cc2ccccc2O)C[C@H]1[NH3+] ZINC000300048200 582483814 /nfs/dbraw/zinc/48/38/14/582483814.db2.gz IEUNBKBFLVZPCK-GXSJLCMTSA-N 2 1 206.289 1.171 10 10 BDCEMP C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1[NH3+] ZINC000300048200 582483815 /nfs/dbraw/zinc/48/38/15/582483815.db2.gz IEUNBKBFLVZPCK-GXSJLCMTSA-N 2 1 206.289 1.171 10 10 BDCEMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000310976554 634194377 /nfs/dbraw/zinc/19/43/77/634194377.db2.gz QJLJEWJSUXQLFH-FPMFFAJLSA-N 2 1 246.354 1.870 10 10 BDCEMP C[C@@H](c1ccccc1O)[N@H+]1CCC[NH2+]CC1 ZINC000038087009 176026954 /nfs/dbraw/zinc/02/69/54/176026954.db2.gz GXXJQYXGBATFIE-NSHDSACASA-N 2 1 220.316 1.749 10 10 BDCEMP C[C@H](c1ccc(O)cc1O)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245105 177035658 /nfs/dbraw/zinc/03/56/58/177035658.db2.gz HRRGKSYRAAXZET-NXEZZACHSA-N 2 1 236.315 1.439 10 10 BDCEMP Cc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000309170836 632659234 /nfs/dbraw/zinc/65/92/34/632659234.db2.gz AJKIDMNFTRWXLI-PWSUYJOCSA-N 2 1 220.316 1.622 10 10 BDCEMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000309170836 632659236 /nfs/dbraw/zinc/65/92/36/632659236.db2.gz AJKIDMNFTRWXLI-PWSUYJOCSA-N 2 1 220.316 1.622 10 10 BDCEMP [NH3+]CC[C@H]([NH3+])c1cccc(Br)c1O ZINC000307174941 398005953 /nfs/dbraw/zinc/00/59/53/398005953.db2.gz RLBMBTSZIJWGBU-QMMMGPOBSA-N 2 1 245.120 1.503 10 10 BDCEMP C[C@@H](c1cc(O)ccc1O)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245036 176012582 /nfs/dbraw/zinc/01/25/82/176012582.db2.gz ZRSBYMVUEXILEY-VHSXEESVSA-N 2 1 236.315 1.439 10 10 BDCEMP [NH3+]CC[C@@H]([NH3+])c1cccc(Br)c1O ZINC000306896984 351309797 /nfs/dbraw/zinc/30/97/97/351309797.db2.gz RLBMBTSZIJWGBU-MRVPVSSYSA-N 2 1 245.120 1.503 10 10 BDCEMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000708823711 712200039 /nfs/dbraw/zinc/20/00/39/712200039.db2.gz VYHOOXKTICEUQP-OCCSQVGLSA-N 2 1 247.386 1.779 10 10 BDCEMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000309170834 632659513 /nfs/dbraw/zinc/65/95/13/632659513.db2.gz AJKIDMNFTRWXLI-CMPLNLGQSA-N 2 1 220.316 1.622 10 10 BDCEMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000309170834 632659516 /nfs/dbraw/zinc/65/95/16/632659516.db2.gz AJKIDMNFTRWXLI-CMPLNLGQSA-N 2 1 220.316 1.622 10 10 BDCEMP C[NH+]1CCN(c2ccc(C[NH3+])cc2F)CC1 ZINC000011757280 132320501 /nfs/dbraw/zinc/32/05/01/132320501.db2.gz DXGFQQPLESHPTR-UHFFFAOYSA-N 2 1 223.295 1.036 10 10 BDCEMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000310976555 636747523 /nfs/dbraw/zinc/74/75/23/636747523.db2.gz QJLJEWJSUXQLFH-IACUBPJLSA-N 2 1 246.354 1.870 10 10 BDCEMP Cc1[nH+]ccn1C[C@H]([NH3+])c1ccc(O)c(O)c1 ZINC000011848622 180267869 /nfs/dbraw/zinc/26/78/69/180267869.db2.gz SBPVQEKBLHPLJY-JTQLQIEISA-N 2 1 233.271 1.303 10 10 BDCEMP C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1C[NH3+] ZINC000708875176 712201788 /nfs/dbraw/zinc/20/17/88/712201788.db2.gz OCGJOMOXPUERAL-JQWIXIFHSA-N 2 1 220.316 1.419 10 10 BDCEMP CN(C)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000037645798 173146624 /nfs/dbraw/zinc/14/66/24/173146624.db2.gz ZFHTWEIQLHUGLV-CQSZACIVSA-N 2 1 247.386 1.794 10 10 BDCEMP Cc1ccc(O)c(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000300050387 592501679 /nfs/dbraw/zinc/50/16/79/592501679.db2.gz ZKHSCGZQBRARRE-CMPLNLGQSA-N 2 1 220.316 1.480 10 10 BDCEMP Cc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000300050387 592501680 /nfs/dbraw/zinc/50/16/80/592501680.db2.gz ZKHSCGZQBRARRE-CMPLNLGQSA-N 2 1 220.316 1.480 10 10 BDCEMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000310976556 711680595 /nfs/dbraw/zinc/68/05/95/711680595.db2.gz QJLJEWJSUXQLFH-UBHSHLNASA-N 2 1 246.354 1.870 10 10 BDCEMP C[C@H](c1cc(O)ccc1O)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245037 177031852 /nfs/dbraw/zinc/03/18/52/177031852.db2.gz ZRSBYMVUEXILEY-NXEZZACHSA-N 2 1 236.315 1.439 10 10 BDCEMP C[N@@H+](Cc1ccccc1O)[C@H]1CCC[NH2+]CC1 ZINC000215952056 591999034 /nfs/dbraw/zinc/99/90/34/591999034.db2.gz FCEZBUDCZJMKRS-ZDUSSCGKSA-N 2 1 234.343 1.966 10 10 BDCEMP C[C@@H](c1ccc(O)cc1O)[N@@H+]1CCC[NH2+]CC1 ZINC000038086974 176017376 /nfs/dbraw/zinc/01/73/76/176017376.db2.gz GBGWFZQZZJFWCY-JTQLQIEISA-N 2 1 236.315 1.454 10 10 BDCEMP C[C@@H](c1ccc(O)cc1O)[N@H+]1CCC[NH2+]CC1 ZINC000038086974 176017377 /nfs/dbraw/zinc/01/73/77/176017377.db2.gz GBGWFZQZZJFWCY-JTQLQIEISA-N 2 1 236.315 1.454 10 10 BDCEMP C[C@@H](c1ccccc1O)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245149 176025983 /nfs/dbraw/zinc/02/59/83/176025983.db2.gz GAKOSSDASKDZCR-WDEREUQCSA-N 2 1 220.316 1.734 10 10 BDCEMP Cc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235344136 635573932 /nfs/dbraw/zinc/57/39/32/635573932.db2.gz ZKHSCGZQBRARRE-PWSUYJOCSA-N 2 1 220.316 1.480 10 10 BDCEMP Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235344136 635573938 /nfs/dbraw/zinc/57/39/38/635573938.db2.gz ZKHSCGZQBRARRE-PWSUYJOCSA-N 2 1 220.316 1.480 10 10 BDCEMP Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000708885222 712202623 /nfs/dbraw/zinc/20/26/23/712202623.db2.gz WSDXCFFCTGXXNY-YPMHNXCESA-N 2 1 234.343 1.727 10 10 BDCEMP Cc1[nH+]ccn1C[C@H]([NH3+])c1ccccc1O ZINC000011848618 180270108 /nfs/dbraw/zinc/27/01/08/180270108.db2.gz YSXGTNRFUMGTNO-NSHDSACASA-N 2 1 217.272 1.597 10 10 BDCEMP [NH3+]CC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000037712337 181397110 /nfs/dbraw/zinc/39/71/10/181397110.db2.gz UFMJGGVTYDXBMY-UHFFFAOYSA-N 2 1 216.284 1.594 10 10 BDCEMP CN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000037645799 173116118 /nfs/dbraw/zinc/11/61/18/173116118.db2.gz ZFHTWEIQLHUGLV-AWEZNQCLSA-N 2 1 247.386 1.794 10 10 BDCEMP C[N@H+](Cc1ccccc1O)C[C@H]1CC[NH+](C)C1 ZINC000156018007 173142693 /nfs/dbraw/zinc/14/26/93/173142693.db2.gz IODGFIRXTDBSBO-LBPRGKRZSA-N 2 1 234.343 1.776 10 10 BDCEMP C[NH+](Cc1ccccc1O)C[C@H]1CC[N@H+](C)C1 ZINC000156018007 173142694 /nfs/dbraw/zinc/14/26/94/173142694.db2.gz IODGFIRXTDBSBO-LBPRGKRZSA-N 2 1 234.343 1.776 10 10 BDCEMP C[NH+](Cc1ccccc1O)C[C@H]1CC[N@@H+](C)C1 ZINC000156018007 173142696 /nfs/dbraw/zinc/14/26/96/173142696.db2.gz IODGFIRXTDBSBO-LBPRGKRZSA-N 2 1 234.343 1.776 10 10 BDCEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H]12 ZINC000310434378 711776171 /nfs/dbraw/zinc/77/61/71/711776171.db2.gz QYKIRRFYQHJFIQ-KGYLQXTDSA-N 2 1 232.327 1.561 10 10 BDCEMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1O ZINC000379983173 712643827 /nfs/dbraw/zinc/64/38/27/712643827.db2.gz SXSXFFWBQGVLQT-KOLCDFICSA-N 2 1 206.289 1.314 10 10 BDCEMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1O ZINC000379983173 712643830 /nfs/dbraw/zinc/64/38/30/712643830.db2.gz SXSXFFWBQGVLQT-KOLCDFICSA-N 2 1 206.289 1.314 10 10 BDCEMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(N)cc1 ZINC000049330756 180250261 /nfs/dbraw/zinc/25/02/61/180250261.db2.gz SEOFKDKYICAHFR-UHFFFAOYSA-N 2 1 244.342 1.906 10 10 BDCEMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(N)cc1 ZINC000049330756 180250263 /nfs/dbraw/zinc/25/02/63/180250263.db2.gz SEOFKDKYICAHFR-UHFFFAOYSA-N 2 1 244.342 1.906 10 10 BDCEMP [NH3+]CCCC[C@H]([NH3+])c1cccc(F)c1O ZINC000575438136 387115060 /nfs/dbraw/zinc/11/50/60/387115060.db2.gz FKTZONNUQJUBPQ-JTQLQIEISA-N 2 1 212.268 1.660 10 10 BDCEMP C[NH+]1CCN(c2ccc(C[NH3+])cc2Cl)CC1 ZINC000062792796 132388720 /nfs/dbraw/zinc/38/87/20/132388720.db2.gz KEYCMMQJGGTLTM-UHFFFAOYSA-N 2 1 239.750 1.551 10 10 BDCEMP C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1C[NH3+] ZINC000708875177 712202139 /nfs/dbraw/zinc/20/21/39/712202139.db2.gz OCGJOMOXPUERAL-PWSUYJOCSA-N 2 1 220.316 1.419 10 10 BDCEMP C[NH+](C)CCCC[NH2+]Cc1cccc(F)c1O ZINC000158750030 384266459 /nfs/dbraw/zinc/26/64/59/384266459.db2.gz MZLLSYFBEBPCAH-UHFFFAOYSA-N 2 1 240.322 1.963 10 10 BDCEMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000037647062 173147656 /nfs/dbraw/zinc/14/76/56/173147656.db2.gz GHPQPMPQPOOPGD-CYBMUJFWSA-N 2 1 246.354 1.663 10 10 BDCEMP C[NH2+]Cc1ccc(OC)c(Cn2cc[nH+]c2C)c1 ZINC000016942128 173389105 /nfs/dbraw/zinc/38/91/05/173389105.db2.gz OMLSHXAEIOSRNL-UHFFFAOYSA-N 2 1 245.326 1.968 10 10 BDCEMP C[N@@H+](Cc1ccccc1O)[C@@H]1CCC[NH2+]CC1 ZINC000215952013 591998664 /nfs/dbraw/zinc/99/86/64/591998664.db2.gz FCEZBUDCZJMKRS-CYBMUJFWSA-N 2 1 234.343 1.966 10 10 BDCEMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000310976557 636747549 /nfs/dbraw/zinc/74/75/49/636747549.db2.gz QJLJEWJSUXQLFH-YUTCNCBUSA-N 2 1 246.354 1.870 10 10 BDCEMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000708823709 712199881 /nfs/dbraw/zinc/19/98/81/712199881.db2.gz VYHOOXKTICEUQP-JSGCOSHPSA-N 2 1 247.386 1.779 10 10 BDCEMP Cc1cc(N(C)[C@@H]2CCC[N@@H+](C)C2)ccc1C[NH3+] ZINC000053246446 178099923 /nfs/dbraw/zinc/09/99/23/178099923.db2.gz QLAGXWJTRPAAEY-OAHLLOKOSA-N 2 1 247.386 1.984 10 10 BDCEMP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1O ZINC000379983169 712643905 /nfs/dbraw/zinc/64/39/05/712643905.db2.gz SXSXFFWBQGVLQT-GXSJLCMTSA-N 2 1 206.289 1.314 10 10 BDCEMP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccccc1O ZINC000379983169 712643906 /nfs/dbraw/zinc/64/39/06/712643906.db2.gz SXSXFFWBQGVLQT-GXSJLCMTSA-N 2 1 206.289 1.314 10 10 BDCEMP Cc1cc(N(C)[C@H]2CCC[N@@H+](C)C2)ccc1C[NH3+] ZINC000053246448 178100937 /nfs/dbraw/zinc/10/09/37/178100937.db2.gz QLAGXWJTRPAAEY-HNNXBMFYSA-N 2 1 247.386 1.984 10 10 BDCEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]12 ZINC000310434380 632740966 /nfs/dbraw/zinc/74/09/66/632740966.db2.gz QYKIRRFYQHJFIQ-WCFLWFBJSA-N 2 1 232.327 1.561 10 10 BDCEMP C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1C[NH3+] ZINC000708890254 712202453 /nfs/dbraw/zinc/20/24/53/712202453.db2.gz WJQNWTIBOMHSNB-ONGXEEELSA-N 2 1 238.306 1.558 10 10 BDCEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000037647063 173116418 /nfs/dbraw/zinc/11/64/18/173116418.db2.gz GHPQPMPQPOOPGD-ZDUSSCGKSA-N 2 1 246.354 1.663 10 10 BDCEMP N[C@@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC000022457414 343049478 /nfs/dbraw/zinc/04/94/78/343049478.db2.gz MRNPLGLZBUDMRE-OKILXGFUSA-N 2 1 244.294 1.798 10 10 BDCEMP C[C@H](c1ccc(O)cc1O)[N@@H+]1CCC[NH2+]CC1 ZINC000038086975 177035670 /nfs/dbraw/zinc/03/56/70/177035670.db2.gz GBGWFZQZZJFWCY-SNVBAGLBSA-N 2 1 236.315 1.454 10 10 BDCEMP C[C@H](c1ccc(O)cc1O)[N@H+]1CCC[NH2+]CC1 ZINC000038086975 177035672 /nfs/dbraw/zinc/03/56/72/177035672.db2.gz GBGWFZQZZJFWCY-SNVBAGLBSA-N 2 1 236.315 1.454 10 10 BDCEMP C[C@H](c1ccccc1O)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027889 177043212 /nfs/dbraw/zinc/04/32/12/177043212.db2.gz WYXIEKSLFIBGBN-MNOVXSKESA-N 2 1 220.316 1.876 10 10 BDCEMP C[C@H](c1ccccc1O)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027889 177043213 /nfs/dbraw/zinc/04/32/13/177043213.db2.gz WYXIEKSLFIBGBN-MNOVXSKESA-N 2 1 220.316 1.876 10 10 BDCEMP Cc1ccc(O)c(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235684669 632813844 /nfs/dbraw/zinc/81/38/44/632813844.db2.gz ZKHSCGZQBRARRE-JQWIXIFHSA-N 2 1 220.316 1.480 10 10 BDCEMP Cc1ccc(O)c(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235684669 632813848 /nfs/dbraw/zinc/81/38/48/632813848.db2.gz ZKHSCGZQBRARRE-JQWIXIFHSA-N 2 1 220.316 1.480 10 10 BDCEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]12 ZINC000310434379 711776149 /nfs/dbraw/zinc/77/61/49/711776149.db2.gz QYKIRRFYQHJFIQ-RAIGVLPGSA-N 2 1 232.327 1.561 10 10 BDCEMP C[N+](C)(C)CC[NH2+]Cc1ccc(N)cc1 ZINC000141148683 717152281 /nfs/dbraw/zinc/15/22/81/717152281.db2.gz PUOHCKVURKRHBN-UHFFFAOYSA-N 2 1 208.329 1.065 10 10 BDCEMP Cc1[nH+]ccn1C[C@@H]([NH3+])c1ccccc1O ZINC000011848617 180265003 /nfs/dbraw/zinc/26/50/03/180265003.db2.gz YSXGTNRFUMGTNO-LLVKDONJSA-N 2 1 217.272 1.597 10 10 BDCEMP Cc1[nH+]ccn1C[C@@H]([NH3+])c1ccc(O)c(O)c1 ZINC000011848621 180265302 /nfs/dbraw/zinc/26/53/02/180265302.db2.gz SBPVQEKBLHPLJY-SNVBAGLBSA-N 2 1 233.271 1.303 10 10 BDCEMP C[N@H+](Cc1ccc(N)cc1)C[C@H]1CC[NH+](C)C1 ZINC000109357278 173142789 /nfs/dbraw/zinc/14/27/89/173142789.db2.gz SUYYUPMORWIHTG-ZDUSSCGKSA-N 2 1 233.359 1.652 10 10 BDCEMP C[NH+](Cc1ccc(N)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000109357278 173142790 /nfs/dbraw/zinc/14/27/90/173142790.db2.gz SUYYUPMORWIHTG-ZDUSSCGKSA-N 2 1 233.359 1.652 10 10 BDCEMP C[NH+](Cc1ccc(N)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000109357278 173142791 /nfs/dbraw/zinc/14/27/91/173142791.db2.gz SUYYUPMORWIHTG-ZDUSSCGKSA-N 2 1 233.359 1.652 10 10 BDCEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000037484667 173118517 /nfs/dbraw/zinc/11/85/17/173118517.db2.gz VKILTNSLHJYYIF-NSHDSACASA-N 2 1 220.316 1.434 10 10 BDCEMP