smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCc1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000001620949 169022452 /nfs/dbraw/zinc/02/24/52/169022452.db2.gz JWJVFXNZVANLNA-UHFFFAOYSA-N 0 3 247.382 3.721 10 10 BHCEHN Nc1c2ccccc2nc2cc(Cl)ccc12 ZINC000013557616 343094379 /nfs/dbraw/zinc/09/43/79/343094379.db2.gz IRSNBSGPKPZUDV-UHFFFAOYSA-N 0 3 228.682 3.624 10 10 BHCEHN Cc1ccc([O-])c2c1[C@@H](C)C[C@H]2[NH2+]C1CCCC1 ZINC000019883612 178805305 /nfs/dbraw/zinc/80/53/05/178805305.db2.gz LPDDIYVJBHLALM-WCQYABFASA-N 0 3 245.366 3.781 10 10 BHCEHN C[C@H]([NH2+]C1CCC(C)CC1)c1ccccc1[O-] ZINC000019917859 168163758 /nfs/dbraw/zinc/16/37/58/168163758.db2.gz FQBAJVCLLACXAX-CPCZMJQVSA-N 0 3 233.355 3.622 10 10 BHCEHN C[C@@H]([NH2+]C1CCC(C)CC1)c1ccccc1[O-] ZINC000019917861 168165627 /nfs/dbraw/zinc/16/56/27/168165627.db2.gz FQBAJVCLLACXAX-OTTFEQOBSA-N 0 3 233.355 3.622 10 10 BHCEHN Cc1ccccc1[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000020126145 179338673 /nfs/dbraw/zinc/33/86/73/179338673.db2.gz HBHKSSAIBFVZNK-ZDUSSCGKSA-N 0 3 241.334 3.551 10 10 BHCEHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccs1 ZINC000020148267 342972100 /nfs/dbraw/zinc/97/21/00/342972100.db2.gz IYXXFAKSNYOTMF-WDEREUQCSA-N 0 3 247.363 3.866 10 10 BHCEHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccs1 ZINC000020148268 384584788 /nfs/dbraw/zinc/58/47/88/384584788.db2.gz IYXXFAKSNYOTMF-QWRGUYRKSA-N 0 3 247.363 3.866 10 10 BHCEHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1cccs1 ZINC000020148269 342972217 /nfs/dbraw/zinc/97/22/17/342972217.db2.gz IYXXFAKSNYOTMF-GHMZBOCLSA-N 0 3 247.363 3.866 10 10 BHCEHN C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccccc1[O-] ZINC000020148270 342972229 /nfs/dbraw/zinc/97/22/29/342972229.db2.gz IYXXFAKSNYOTMF-MNOVXSKESA-N 0 3 247.363 3.866 10 10 BHCEHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCC(C)CC2)c1 ZINC000035628631 178801668 /nfs/dbraw/zinc/80/16/68/178801668.db2.gz HFNGMRCBYTZJEN-HRDQMINSSA-N 0 3 247.382 3.930 10 10 BHCEHN CC[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2C ZINC000035708339 171346969 /nfs/dbraw/zinc/34/69/69/171346969.db2.gz GZVXSRZZHSQRCE-SDDRHHMPSA-N 0 3 233.355 3.637 10 10 BHCEHN CC[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2C ZINC000035708341 171348969 /nfs/dbraw/zinc/34/89/69/171348969.db2.gz GZVXSRZZHSQRCE-SRVKXCTJSA-N 0 3 233.355 3.637 10 10 BHCEHN Cc1ccc(O)c([C@H](C)N[C@@H](C)c2ccco2)c1 ZINC000035738447 178804638 /nfs/dbraw/zinc/80/46/38/178804638.db2.gz PZNKWMMRDNXWCN-RYUDHWBXSA-N 0 3 245.322 3.705 10 10 BHCEHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccccc2O)o1 ZINC000036960449 712517512 /nfs/dbraw/zinc/51/75/12/712517512.db2.gz OZVGCXCMNWOBPA-NWDGAFQWSA-N 0 3 245.322 3.705 10 10 BHCEHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])o1 ZINC000036960449 712517509 /nfs/dbraw/zinc/51/75/09/712517509.db2.gz OZVGCXCMNWOBPA-NWDGAFQWSA-N 0 3 245.322 3.705 10 10 BHCEHN Cc1ccc([C@H](C)N[C@@H](C)c2ccccc2O)o1 ZINC000036960451 712518035 /nfs/dbraw/zinc/51/80/35/712518035.db2.gz OZVGCXCMNWOBPA-RYUDHWBXSA-N 0 3 245.322 3.705 10 10 BHCEHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])o1 ZINC000036960451 712518034 /nfs/dbraw/zinc/51/80/34/712518034.db2.gz OZVGCXCMNWOBPA-RYUDHWBXSA-N 0 3 245.322 3.705 10 10 BHCEHN Cc1ccc([C@@H](C)N[C@H](C)c2ccccc2O)o1 ZINC000036960453 712517762 /nfs/dbraw/zinc/51/77/62/712517762.db2.gz OZVGCXCMNWOBPA-VXGBXAGGSA-N 0 3 245.322 3.705 10 10 BHCEHN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])o1 ZINC000036960453 712517761 /nfs/dbraw/zinc/51/77/61/712517761.db2.gz OZVGCXCMNWOBPA-VXGBXAGGSA-N 0 3 245.322 3.705 10 10 BHCEHN Cc1ccc([C@H](C)N[C@H](C)c2ccccc2O)o1 ZINC000036960455 712518050 /nfs/dbraw/zinc/51/80/50/712518050.db2.gz OZVGCXCMNWOBPA-NEPJUHHUSA-N 0 3 245.322 3.705 10 10 BHCEHN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])o1 ZINC000036960455 712518049 /nfs/dbraw/zinc/51/80/49/712518049.db2.gz OZVGCXCMNWOBPA-NEPJUHHUSA-N 0 3 245.322 3.705 10 10 BHCEHN CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])C(C)C ZINC000042585251 641555935 /nfs/dbraw/zinc/55/59/35/641555935.db2.gz UAIWFPCJSBHSPG-JSGCOSHPSA-N 0 3 235.371 3.786 10 10 BHCEHN CC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])C(C)C ZINC000042585254 641556405 /nfs/dbraw/zinc/55/64/05/641556405.db2.gz UAIWFPCJSBHSPG-GXTWGEPZSA-N 0 3 235.371 3.786 10 10 BHCEHN CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])C(C)C ZINC000042585257 641556731 /nfs/dbraw/zinc/55/67/31/641556731.db2.gz UAIWFPCJSBHSPG-OCCSQVGLSA-N 0 3 235.371 3.786 10 10 BHCEHN CC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])C(C)C ZINC000042585260 641555543 /nfs/dbraw/zinc/55/55/43/641555543.db2.gz UAIWFPCJSBHSPG-TZMCWYRMSA-N 0 3 235.371 3.786 10 10 BHCEHN CC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1[O-])C(C)C ZINC000042585683 643509553 /nfs/dbraw/zinc/50/95/53/643509553.db2.gz XOANZRIRBBOEFE-JSGCOSHPSA-N 0 3 235.371 3.786 10 10 BHCEHN CC[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1[O-])C(C)C ZINC000042585687 641556499 /nfs/dbraw/zinc/55/64/99/641556499.db2.gz XOANZRIRBBOEFE-GXTWGEPZSA-N 0 3 235.371 3.786 10 10 BHCEHN CC[C@H]([NH2+][C@H](C)c1cc(C)ccc1[O-])C(C)C ZINC000042585690 641556582 /nfs/dbraw/zinc/55/65/82/641556582.db2.gz XOANZRIRBBOEFE-OCCSQVGLSA-N 0 3 235.371 3.786 10 10 BHCEHN CC[C@@H]([NH2+][C@H](C)c1cc(C)ccc1[O-])C(C)C ZINC000042585693 641556302 /nfs/dbraw/zinc/55/63/02/641556302.db2.gz XOANZRIRBBOEFE-TZMCWYRMSA-N 0 3 235.371 3.786 10 10 BHCEHN CCCC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000050887344 168990623 /nfs/dbraw/zinc/99/06/23/168990623.db2.gz WLCFQQXZKJJRIE-STQMWFEESA-N 0 3 235.371 3.930 10 10 BHCEHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCCC2)c([O-])c1 ZINC000070305248 643013675 /nfs/dbraw/zinc/01/36/75/643013675.db2.gz RKHHZZTWUXFWRS-QWHCGFSZSA-N 0 3 247.382 3.930 10 10 BHCEHN Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CCCC2)c([O-])c1 ZINC000070305249 643014340 /nfs/dbraw/zinc/01/43/40/643014340.db2.gz RKHHZZTWUXFWRS-STQMWFEESA-N 0 3 247.382 3.930 10 10 BHCEHN Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CCCC2)c([O-])c1 ZINC000070305250 643014502 /nfs/dbraw/zinc/01/45/02/643014502.db2.gz RKHHZZTWUXFWRS-CHWSQXEVSA-N 0 3 247.382 3.930 10 10 BHCEHN Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCCC2)c([O-])c1 ZINC000070305251 643013445 /nfs/dbraw/zinc/01/34/45/643013445.db2.gz RKHHZZTWUXFWRS-OLZOCXBDSA-N 0 3 247.382 3.930 10 10 BHCEHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)C2CCCC2)c1 ZINC000070305501 643013171 /nfs/dbraw/zinc/01/31/71/643013171.db2.gz BDVSCKVVPANCHY-QWHCGFSZSA-N 0 3 247.382 3.930 10 10 BHCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C2CCCC2)c1 ZINC000070305502 643012425 /nfs/dbraw/zinc/01/24/25/643012425.db2.gz BDVSCKVVPANCHY-STQMWFEESA-N 0 3 247.382 3.930 10 10 BHCEHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)C2CCCC2)c1 ZINC000070305503 643014272 /nfs/dbraw/zinc/01/42/72/643014272.db2.gz BDVSCKVVPANCHY-CHWSQXEVSA-N 0 3 247.382 3.930 10 10 BHCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)C2CCCC2)c1 ZINC000070305504 643013913 /nfs/dbraw/zinc/01/39/13/643013913.db2.gz BDVSCKVVPANCHY-OLZOCXBDSA-N 0 3 247.382 3.930 10 10 BHCEHN Cc1ccc([O-])c(C[NH2+][C@@H](C)c2cccs2)c1 ZINC000071406685 384164595 /nfs/dbraw/zinc/16/45/95/384164595.db2.gz XANDWKVJPGVSQW-NSHDSACASA-N 0 3 247.363 3.613 10 10 BHCEHN Cc1ccc([O-])c(C[NH2+][C@H](C)c2cccs2)c1 ZINC000071406686 384165608 /nfs/dbraw/zinc/16/56/08/384165608.db2.gz XANDWKVJPGVSQW-LLVKDONJSA-N 0 3 247.363 3.613 10 10 BHCEHN CC[C@H](NCc1ccc(N)cc1)c1ccccc1 ZINC000083368577 398278030 /nfs/dbraw/zinc/27/80/30/398278030.db2.gz JQEBGVBWHWQHCM-INIZCTEOSA-N 0 3 240.350 3.510 10 10 BHCEHN Cc1cccc(C[NH2+][C@@H](C)c2cccs2)c1[O-] ZINC000124660507 179097608 /nfs/dbraw/zinc/09/76/08/179097608.db2.gz KBWAYBVIPMCHPI-NSHDSACASA-N 0 3 247.363 3.613 10 10 BHCEHN Cc1cccc(C[NH2+][C@H](C)c2cccs2)c1[O-] ZINC000124660701 179099318 /nfs/dbraw/zinc/09/93/18/179099318.db2.gz KBWAYBVIPMCHPI-LLVKDONJSA-N 0 3 247.363 3.613 10 10 BHCEHN CCC1CCC([NH2+]Cc2cccc(C)c2[O-])CC1 ZINC000124717140 590076573 /nfs/dbraw/zinc/07/65/73/590076573.db2.gz HSFVVYYYWCNUIU-UHFFFAOYSA-N 0 3 247.382 3.759 10 10 BHCEHN Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2[O-])c1 ZINC000130444409 591473982 /nfs/dbraw/zinc/47/39/82/591473982.db2.gz WRWGVSSJVPHGGN-CYBMUJFWSA-N 0 3 241.334 3.551 10 10 BHCEHN Cc1cccc([C@H](C)[NH2+]Cc2ccccc2[O-])c1 ZINC000130444620 591473689 /nfs/dbraw/zinc/47/36/89/591473689.db2.gz WRWGVSSJVPHGGN-ZDUSSCGKSA-N 0 3 241.334 3.551 10 10 BHCEHN CCC[C@@H]1C[C@@H]1[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000156680721 632396874 /nfs/dbraw/zinc/39/68/74/632396874.db2.gz RQCILNHCHRMSJS-XBFCOCLRSA-N 0 3 233.355 3.622 10 10 BHCEHN CCC[C@@H]1C[C@H]1[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000156680990 632397792 /nfs/dbraw/zinc/39/77/92/632397792.db2.gz RQCILNHCHRMSJS-KWCYVHTRSA-N 0 3 233.355 3.622 10 10 BHCEHN CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000230667864 641078831 /nfs/dbraw/zinc/07/88/31/641078831.db2.gz MWIXFHXZDYWZOD-SCRDCRAPSA-N 0 3 233.355 3.540 10 10 BHCEHN CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000230667871 641077945 /nfs/dbraw/zinc/07/79/45/641077945.db2.gz MWIXFHXZDYWZOD-OUCADQQQSA-N 0 3 233.355 3.540 10 10 BHCEHN CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000300418960 592512369 /nfs/dbraw/zinc/51/23/69/592512369.db2.gz JNCSUDWBKHNUDP-BZPMIXESSA-N 0 3 233.355 3.540 10 10 BHCEHN CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000300418961 592512639 /nfs/dbraw/zinc/51/26/39/592512639.db2.gz JNCSUDWBKHNUDP-YRGRVCCFSA-N 0 3 233.355 3.540 10 10 BHCEHN CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000300419057 592512412 /nfs/dbraw/zinc/51/24/12/592512412.db2.gz MWIXFHXZDYWZOD-BZPMIXESSA-N 0 3 233.355 3.540 10 10 BHCEHN CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000300419058 592512655 /nfs/dbraw/zinc/51/26/55/592512655.db2.gz MWIXFHXZDYWZOD-YRGRVCCFSA-N 0 3 233.355 3.540 10 10 BHCEHN CCC[C@@H]1C[C@@H]1[NH2+][C@H](CC)c1ccccc1[O-] ZINC000300419829 592512270 /nfs/dbraw/zinc/51/22/70/592512270.db2.gz RQCILNHCHRMSJS-BNOWGMLFSA-N 0 3 233.355 3.622 10 10 BHCEHN CCC[C@@H]1C[C@H]1[NH2+][C@H](CC)c1ccccc1[O-] ZINC000300419830 592512731 /nfs/dbraw/zinc/51/27/31/592512731.db2.gz RQCILNHCHRMSJS-MRVWCRGKSA-N 0 3 233.355 3.622 10 10 BHCEHN CC[C@@H](NCc1ccc(N)cc1)c1ccccc1 ZINC000584595380 358252432 /nfs/dbraw/zinc/25/24/32/358252432.db2.gz JQEBGVBWHWQHCM-MRXNPFEDSA-N 0 3 240.350 3.510 10 10 BHCEHN CCCCc1ccc([O-])c([C@H]([NH3+])CCC)c1 ZINC000757132495 582506720 /nfs/dbraw/zinc/50/67/20/582506720.db2.gz GXASWLZZXCIELL-CYBMUJFWSA-N 0 3 221.344 3.535 10 10 BHCEHN CCCCc1ccc([O-])c([C@@H]([NH3+])CCC)c1 ZINC000757132530 582507332 /nfs/dbraw/zinc/50/73/32/582507332.db2.gz GXASWLZZXCIELL-ZDUSSCGKSA-N 0 3 221.344 3.535 10 10 BHCEHN CC(C)[C@H]([NH3+])c1cc(-c2ccccc2)ccc1[O-] ZINC000757132567 582507798 /nfs/dbraw/zinc/50/77/98/582507798.db2.gz HGWCHYSSVOAOHW-INIZCTEOSA-N 0 3 241.334 3.715 10 10 BHCEHN CC(C)[C@@H]([NH3+])c1cc(-c2ccccc2)ccc1[O-] ZINC000757132577 582507648 /nfs/dbraw/zinc/50/76/48/582507648.db2.gz HGWCHYSSVOAOHW-MRXNPFEDSA-N 0 3 241.334 3.715 10 10 BHCEHN CC[C@H](C)c1ccc([O-])c([C@@H]([NH3+])C(C)C)c1 ZINC000757132937 582508160 /nfs/dbraw/zinc/50/81/60/582508160.db2.gz NRIZFCXFISNNJK-HZMBPMFUSA-N 0 3 221.344 3.562 10 10 BHCEHN CC[C@H](C)c1ccc([O-])c([C@H]([NH3+])C(C)C)c1 ZINC000757132938 582508445 /nfs/dbraw/zinc/50/84/45/582508445.db2.gz NRIZFCXFISNNJK-IINYFYTJSA-N 0 3 221.344 3.562 10 10 BHCEHN CC[C@@H](C)c1ccc([O-])c([C@H]([NH3+])C(C)C)c1 ZINC000757132942 582508487 /nfs/dbraw/zinc/50/84/87/582508487.db2.gz NRIZFCXFISNNJK-QMTHXVAHSA-N 0 3 221.344 3.562 10 10 BHCEHN CC[C@@H](C)c1ccc([O-])c([C@@H]([NH3+])C(C)C)c1 ZINC000757132946 582508371 /nfs/dbraw/zinc/50/83/71/582508371.db2.gz NRIZFCXFISNNJK-YGRLFVJLSA-N 0 3 221.344 3.562 10 10 BHCEHN CC(C)(C)c1ccc([O-])c([C@H]([NH3+])C(C)(C)C)c1 ZINC000757132954 582508491 /nfs/dbraw/zinc/50/84/91/582508491.db2.gz NWJOJXOIDFBKGJ-ZDUSSCGKSA-N 0 3 235.371 3.736 10 10 BHCEHN CC[C@@H](C)c1ccc([O-])c([C@H]([NH3+])CC(C)C)c1 ZINC000757132955 582508398 /nfs/dbraw/zinc/50/83/98/582508398.db2.gz OXQIZISKZYORMQ-BXUZGUMPSA-N 0 3 235.371 3.952 10 10 BHCEHN CC[C@H](C)c1ccc([O-])c([C@@H]([NH3+])CC(C)C)c1 ZINC000757133281 582509618 /nfs/dbraw/zinc/50/96/18/582509618.db2.gz OXQIZISKZYORMQ-FZMZJTMJSA-N 0 3 235.371 3.952 10 10 BHCEHN CC[C@@H](C)c1ccc([O-])c([C@@H]([NH3+])CC(C)C)c1 ZINC000757133283 582509694 /nfs/dbraw/zinc/50/96/94/582509694.db2.gz OXQIZISKZYORMQ-RISCZKNCSA-N 0 3 235.371 3.952 10 10 BHCEHN CC[C@H](C)c1ccc([O-])c([C@H]([NH3+])CC(C)C)c1 ZINC000757133291 582509504 /nfs/dbraw/zinc/50/95/04/582509504.db2.gz OXQIZISKZYORMQ-SMDDNHRTSA-N 0 3 235.371 3.952 10 10 BHCEHN CCC[C@@H]([NH3+])c1cc(C(C)(C)CC)ccc1[O-] ZINC000757141592 586427879 /nfs/dbraw/zinc/42/78/79/586427879.db2.gz AKUOKWQQEFZOOO-CYBMUJFWSA-N 0 3 235.371 3.880 10 10 BHCEHN CCC[C@H]([NH3+])c1cc(C(C)(C)CC)ccc1[O-] ZINC000757141603 582522654 /nfs/dbraw/zinc/52/26/54/582522654.db2.gz AKUOKWQQEFZOOO-ZDUSSCGKSA-N 0 3 235.371 3.880 10 10 BHCEHN CCC[C@H]([NH3+])c1cc(-c2ccccc2)ccc1[O-] ZINC000757142477 582522998 /nfs/dbraw/zinc/52/29/98/582522998.db2.gz CJUDUMDHNROKPJ-HNNXBMFYSA-N 0 3 241.334 3.859 10 10 BHCEHN CCC[C@@H]([NH3+])c1cc(-c2ccccc2)ccc1[O-] ZINC000757142480 582522990 /nfs/dbraw/zinc/52/29/90/582522990.db2.gz CJUDUMDHNROKPJ-OAHLLOKOSA-N 0 3 241.334 3.859 10 10 BHCEHN CCC(C)(C)c1ccc([O-])c([C@@H]([NH3+])C(C)C)c1 ZINC000757142483 582522932 /nfs/dbraw/zinc/52/29/32/582522932.db2.gz CPJBGXQJSUHTET-AWEZNQCLSA-N 0 3 235.371 3.736 10 10 BHCEHN CCC(C)(C)c1ccc([O-])c([C@H]([NH3+])C(C)C)c1 ZINC000757142490 582522834 /nfs/dbraw/zinc/52/28/34/582522834.db2.gz CPJBGXQJSUHTET-CQSZACIVSA-N 0 3 235.371 3.736 10 10 BHCEHN CCC[C@@H]([NH3+])c1cc(C(C)(C)C)cc(C)c1[O-] ZINC000757142888 582523066 /nfs/dbraw/zinc/52/30/66/582523066.db2.gz DIXVJABXVIMOLS-CYBMUJFWSA-N 0 3 235.371 3.798 10 10 BHCEHN CCC[C@H]([NH3+])c1cc(C(C)(C)C)cc(C)c1[O-] ZINC000757142912 582523068 /nfs/dbraw/zinc/52/30/68/582523068.db2.gz DIXVJABXVIMOLS-ZDUSSCGKSA-N 0 3 235.371 3.798 10 10 BHCEHN Cc1cc([O-])c([C@@H]([NH3+])C(C)(C)C)c(C)c1Cl ZINC000757143619 582524002 /nfs/dbraw/zinc/52/40/02/582524002.db2.gz DZFANDPLJKQTNU-GFCCVEGCSA-N 0 3 241.762 3.708 10 10 BHCEHN Cc1cc([O-])c([C@H]([NH3+])C(C)(C)C)c(C)c1Cl ZINC000757143628 582523823 /nfs/dbraw/zinc/52/38/23/582523823.db2.gz DZFANDPLJKQTNU-LBPRGKRZSA-N 0 3 241.762 3.708 10 10 BHCEHN CC(C)C[C@@H]([NH3+])c1cc(C(C)C)ccc1[O-] ZINC000757143797 582524109 /nfs/dbraw/zinc/52/41/09/582524109.db2.gz FXCOOAVGOHOEPB-CYBMUJFWSA-N 0 3 221.344 3.562 10 10 BHCEHN CC(C)C[C@H]([NH3+])c1cc(C(C)C)ccc1[O-] ZINC000757143798 582524328 /nfs/dbraw/zinc/52/43/28/582524328.db2.gz FXCOOAVGOHOEPB-ZDUSSCGKSA-N 0 3 221.344 3.562 10 10 BHCEHN CC(C)c1ccc([O-])c([C@@H]([NH3+])C(C)(C)C)c1 ZINC000757145526 582528037 /nfs/dbraw/zinc/52/80/37/582528037.db2.gz ONMOQPHEJAAJIZ-CYBMUJFWSA-N 0 3 221.344 3.562 10 10 BHCEHN CC(C)c1ccc([O-])c([C@H]([NH3+])C(C)(C)C)c1 ZINC000757145533 582528116 /nfs/dbraw/zinc/52/81/16/582528116.db2.gz ONMOQPHEJAAJIZ-ZDUSSCGKSA-N 0 3 221.344 3.562 10 10 BHCEHN Cc1cc([O-])c([C@@H]([NH3+])CC(C)C)c(C)c1Cl ZINC000757145798 582528548 /nfs/dbraw/zinc/52/85/48/582528548.db2.gz PWROBBDQANPHNN-JTQLQIEISA-N 0 3 241.762 3.708 10 10 BHCEHN Cc1cc([O-])c([C@H]([NH3+])CC(C)C)c(C)c1Cl ZINC000757145804 582528475 /nfs/dbraw/zinc/52/84/75/582528475.db2.gz PWROBBDQANPHNN-SNVBAGLBSA-N 0 3 241.762 3.708 10 10 BHCEHN CCCCc1ccc([O-])c([C@@H]([NH3+])CC(C)C)c1 ZINC000757145826 582528531 /nfs/dbraw/zinc/52/85/31/582528531.db2.gz PYHMGAHFALKNDN-AWEZNQCLSA-N 0 3 235.371 3.781 10 10 BHCEHN CCCCc1ccc([O-])c([C@H]([NH3+])CC(C)C)c1 ZINC000757145834 582528645 /nfs/dbraw/zinc/52/86/45/582528645.db2.gz PYHMGAHFALKNDN-CQSZACIVSA-N 0 3 235.371 3.781 10 10 BHCEHN Cc1cc(C(C)(C)C)cc([C@H]([NH3+])C(C)C)c1[O-] ZINC000757145957 582528845 /nfs/dbraw/zinc/52/88/45/582528845.db2.gz QLTSWDPMAKBXKR-CYBMUJFWSA-N 0 3 235.371 3.654 10 10 BHCEHN Cc1cc(C(C)(C)C)cc([C@@H]([NH3+])C(C)C)c1[O-] ZINC000757145962 582528875 /nfs/dbraw/zinc/52/88/75/582528875.db2.gz QLTSWDPMAKBXKR-ZDUSSCGKSA-N 0 3 235.371 3.654 10 10 BHCEHN CC(C)c1ccc([O-])c([C@@H]([NH3+])c2ccccc2)c1 ZINC000757146750 582529805 /nfs/dbraw/zinc/52/98/05/582529805.db2.gz UWNQBSJKAZKKQV-INIZCTEOSA-N 0 3 241.334 3.564 10 10 BHCEHN CC(C)c1ccc([O-])c([C@H]([NH3+])c2ccccc2)c1 ZINC000757146764 582530599 /nfs/dbraw/zinc/53/05/99/582530599.db2.gz UWNQBSJKAZKKQV-MRXNPFEDSA-N 0 3 241.334 3.564 10 10 BHCEHN CC(C)C[C@@H]([NH3+])c1cc(C(C)(C)C)ccc1[O-] ZINC000757146816 586428651 /nfs/dbraw/zinc/42/86/51/586428651.db2.gz VDYFWHSWOJWERE-CYBMUJFWSA-N 0 3 235.371 3.736 10 10 BHCEHN CC(C)C[C@H]([NH3+])c1cc(C(C)(C)C)ccc1[O-] ZINC000757146818 586428794 /nfs/dbraw/zinc/42/87/94/586428794.db2.gz VDYFWHSWOJWERE-ZDUSSCGKSA-N 0 3 235.371 3.736 10 10 BHCEHN CCCCc1ccc([O-])c([C@H]([NH3+])C(C)(C)C)c1 ZINC000757146825 582530501 /nfs/dbraw/zinc/53/05/01/582530501.db2.gz VPYDMGLUPNKDSQ-AWEZNQCLSA-N 0 3 235.371 3.781 10 10 BHCEHN CCCCc1ccc([O-])c([C@@H]([NH3+])C(C)(C)C)c1 ZINC000757146826 582530539 /nfs/dbraw/zinc/53/05/39/582530539.db2.gz VPYDMGLUPNKDSQ-CQSZACIVSA-N 0 3 235.371 3.781 10 10 BHCEHN CC[C@H](C)c1ccc([O-])c([C@H]([NH3+])C(C)(C)C)c1 ZINC000757147030 582531004 /nfs/dbraw/zinc/53/10/04/582531004.db2.gz WLFZEMAZGUIIMD-HZMBPMFUSA-N 0 3 235.371 3.952 10 10 BHCEHN CC[C@H](C)c1ccc([O-])c([C@@H]([NH3+])C(C)(C)C)c1 ZINC000757147041 582530969 /nfs/dbraw/zinc/53/09/69/582530969.db2.gz WLFZEMAZGUIIMD-IINYFYTJSA-N 0 3 235.371 3.952 10 10 BHCEHN CC[C@@H](C)c1ccc([O-])c([C@@H]([NH3+])C(C)(C)C)c1 ZINC000757147046 582530963 /nfs/dbraw/zinc/53/09/63/582530963.db2.gz WLFZEMAZGUIIMD-QMTHXVAHSA-N 0 3 235.371 3.952 10 10 BHCEHN CC[C@@H](C)c1ccc([O-])c([C@H]([NH3+])C(C)(C)C)c1 ZINC000757147052 582530995 /nfs/dbraw/zinc/53/09/95/582530995.db2.gz WLFZEMAZGUIIMD-YGRLFVJLSA-N 0 3 235.371 3.952 10 10 BHCEHN