smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)C[C@H](CC)OCCP(=O)([O-])[O-] ZINC001224604564 973794685 /nfs/dbraw/zinc/79/46/85/973794685.db2.gz DTQXAYVKKYLHRD-UWVGGRQHSA-N -2 3 238.264 2.396 20 0 BEADHL CCC(CC)[C@H](CC)OCCP(=O)([O-])[O-] ZINC001224605911 973796449 /nfs/dbraw/zinc/79/64/49/973796449.db2.gz LAPCNWVUJIHLGA-JTQLQIEISA-N -2 3 238.264 2.396 20 0 BEADHL CC1(C)CCC[C@H](OCCP(=O)([O-])[O-])C1 ZINC001224602215 964799438 /nfs/dbraw/zinc/79/94/38/964799438.db2.gz OYHSONRKRYFKGW-VIFPVBQESA-N -2 3 236.248 2.150 20 0 BEADHL CC[C@H](C)CC[C@H](C)OCCP(=O)([O-])[O-] ZINC001224601020 973788410 /nfs/dbraw/zinc/78/84/10/973788410.db2.gz DAEQERNHTIRQNS-UWVGGRQHSA-N -2 3 238.264 2.396 20 0 BEADHL CCC[C@H](OCCP(=O)([O-])[O-])C(C)(C)C ZINC001224605923 973796872 /nfs/dbraw/zinc/79/68/72/973796872.db2.gz LCCAWJJTYHMUIF-VIFPVBQESA-N -2 3 238.264 2.396 20 0 BEADHL CC[C@H](OCCCCP(=O)([O-])[O-])C(C)C ZINC001225018891 974150952 /nfs/dbraw/zinc/15/09/52/974150952.db2.gz LAGLQLAQMOGOQC-JTQLQIEISA-N -2 3 238.264 2.396 20 0 BEADHL O=P([O-])([O-])CCCCO[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001225019473 974151145 /nfs/dbraw/zinc/15/11/45/974151145.db2.gz XALYGGXVGCUEIB-HBNTYKKESA-N -2 3 248.259 2.150 20 0 BEADHL CCc1nc(O[C@H](C)C2=CC=C[CH]2)cc(=O)[n-]1 ZINC001226473955 974920493 /nfs/dbraw/zinc/92/04/93/974920493.db2.gz CZOOBODWCMFPGD-SECBINFHSA-N -2 3 231.275 2.212 20 0 BEADHL O=C([O-])c1ccccc1-c1ccc(=S)[n-]n1 ZINC001242879499 984222232 /nfs/dbraw/zinc/22/22/32/984222232.db2.gz SNPCAGDWZKCGER-UHFFFAOYSA-N -2 3 232.264 2.131 20 0 BEADHL O=C(Nc1ccccc1[O-])c1ccccc1[O-] ZINC000000541261 182381027 /nfs/dbraw/zinc/38/10/27/182381027.db2.gz UGFGDRANRAQQKT-UHFFFAOYSA-N -2 3 229.235 2.350 20 0 BEADHL Cc1cccc(C(=O)Nc2ncccc2[O-])c1[O-] ZINC000078227603 325410244 /nfs/dbraw/zinc/41/02/44/325410244.db2.gz YYZYRROWXQOARZ-UHFFFAOYSA-N -2 3 244.250 2.054 20 0 BEADHL O=C([O-])c1cnc(C=Cc2ccsc2)[n-]c1=O ZINC000670370045 488107079 /nfs/dbraw/zinc/10/70/79/488107079.db2.gz SUFWAVYKDWPLTP-OWOJBTEDSA-N -2 3 248.263 2.112 20 0 BEADHL O=C([O-])c1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000740122479 585094277 /nfs/dbraw/zinc/09/42/77/585094277.db2.gz HCZCMTGRYBZUBN-ZZXKWVIFSA-N -2 3 242.234 2.051 20 0 BEADHL CC(C)OC(=O)c1ccc(NC(=O)[O-])c([O-])c1 ZINC000826995994 587367414 /nfs/dbraw/zinc/36/74/14/587367414.db2.gz QMJWMBQRDLSXLS-UHFFFAOYSA-N -2 3 239.227 2.047 20 0 BEADHL CCC[C@H](OCCP(=O)([O-])[O-])[C@H](C)CC ZINC001224606775 964800749 /nfs/dbraw/zinc/80/07/49/964800749.db2.gz RQCHHDQMGMDRHV-ZJUUUORDSA-N -2 3 238.264 2.396 20 0 BEADHL C[C@@H]1CC[C@@H](OCCP(=O)([O-])[O-])C[C@H]1C ZINC001224603651 973795472 /nfs/dbraw/zinc/79/54/72/973795472.db2.gz AWEXRQBUEFRRIT-OPRDCNLKSA-N -2 3 236.248 2.005 20 0 BEADHL C[C@@H]1CC[C@@H](C)[C@H](OCCP(=O)([O-])[O-])C1 ZINC001224607915 964804658 /nfs/dbraw/zinc/80/46/58/964804658.db2.gz WTXOPZHKUSGWNQ-OPRDCNLKSA-N -2 3 236.248 2.005 20 0 BEADHL CCCC/C=C/[C@H](C)OCCP(=O)([O-])[O-] ZINC001224602965 973788310 /nfs/dbraw/zinc/78/83/10/973788310.db2.gz ULLVQUSUMCVURN-FGEFZZPRSA-N -2 3 236.248 2.316 20 0 BEADHL C[C@@H]1CCC[C@H](OCCP(=O)([O-])[O-])[C@@H]1C ZINC001224601626 973788533 /nfs/dbraw/zinc/78/85/33/973788533.db2.gz ISPJPBPOWPZALX-BBBLOLIVSA-N -2 3 236.248 2.005 20 0 BEADHL CC(C)C[C@H](OCCP(=O)([O-])[O-])C(C)C ZINC001224604734 973793675 /nfs/dbraw/zinc/79/36/75/973793675.db2.gz FQYRPEIXAAJCNG-JTQLQIEISA-N -2 3 238.264 2.251 20 0 BEADHL Cc1nc(O[C@@H](C)C2=CC=C[CH]2)c(C)c(=O)[n-]1 ZINC001229685380 976945078 /nfs/dbraw/zinc/94/50/78/976945078.db2.gz MCNJXPCNWQDNPG-VIFPVBQESA-N -2 3 231.275 2.267 20 0 BEADHL O=C([O-])c1cccc(Nc2ncc(F)cc2[O-])c1 ZINC001175328381 977380160 /nfs/dbraw/zinc/38/01/60/977380160.db2.gz HVXFLNXEOJWXOM-UHFFFAOYSA-N -2 3 248.213 2.368 20 0 BEADHL Cc1cc(C(=O)[O-])cc(-c2ccc(=S)[n-]n2)c1 ZINC001243178056 984631765 /nfs/dbraw/zinc/63/17/65/984631765.db2.gz LIDOFOSVVQMKJS-UHFFFAOYSA-N -2 3 246.291 2.439 20 0 BEADHL O=C(Nc1ccccc1[O-])c1cc(F)ccc1[O-] ZINC000176987916 384844431 /nfs/dbraw/zinc/84/44/31/384844431.db2.gz AEKZGQIHQXAIPL-UHFFFAOYSA-N -2 3 247.225 2.489 20 0 BEADHL CCCO[N-]C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869086894 589586586 /nfs/dbraw/zinc/58/65/86/589586586.db2.gz XWFMUPTZQSLXPX-UHFFFAOYSA-N -2 3 243.690 2.046 20 0 BEADHL CC(C)C[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019003 1167648006 /nfs/dbraw/zinc/64/80/06/1167648006.db2.gz OAGZRBJEHYFBDO-SNVBAGLBSA-N -2 3 238.264 2.396 20 0 BEADHL O=P([O-])([O-])CCCCOC(C1CC1)C1CC1 ZINC001225019063 1167648089 /nfs/dbraw/zinc/64/80/89/1167648089.db2.gz PZANCPBIXDINTP-UHFFFAOYSA-N -2 3 248.259 2.150 20 0 BEADHL CC(C)=CCC[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224601857 973787880 /nfs/dbraw/zinc/78/78/80/973787880.db2.gz LTGQQLMXGJENFJ-SNVBAGLBSA-N -2 3 236.248 2.316 20 0 BEADHL CC(C)CC[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224605297 973793034 /nfs/dbraw/zinc/79/30/34/973793034.db2.gz HJIKDLQACLQEIE-SECBINFHSA-N -2 3 224.237 2.005 20 0 BEADHL CCC[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225023583 974150357 /nfs/dbraw/zinc/15/03/57/974150357.db2.gz YUELXUJQQSHZOO-SECBINFHSA-N -2 3 224.237 2.150 20 0 BEADHL CC1(C)CCC[C@@H](OCCP(=O)([O-])[O-])C1 ZINC001224602212 964800206 /nfs/dbraw/zinc/80/02/06/964800206.db2.gz OYHSONRKRYFKGW-SECBINFHSA-N -2 3 236.248 2.150 20 0 BEADHL CC[C@H]1CCCC[C@@H]1OCCP(=O)([O-])[O-] ZINC001224608038 964804562 /nfs/dbraw/zinc/80/45/62/964804562.db2.gz YEICMYJMIMFTDH-UWVGGRQHSA-N -2 3 236.248 2.150 20 0 BEADHL Cc1ccc([C@@H](C)OCCP(=O)([O-])[O-])cc1 ZINC001224603217 973790596 /nfs/dbraw/zinc/79/05/96/973790596.db2.gz WJOFPCJCHCQEJW-SNVBAGLBSA-N -2 3 244.227 2.250 20 0 BEADHL CC(C)C[C@@H](OCCP(=O)([O-])[O-])C(C)C ZINC001224604737 973791846 /nfs/dbraw/zinc/79/18/46/973791846.db2.gz FQYRPEIXAAJCNG-SNVBAGLBSA-N -2 3 238.264 2.251 20 0 BEADHL CC[C@H](C)S(=O)(=O)[N-]c1cccc(F)c1[O-] ZINC001260738045 992154907 /nfs/dbraw/zinc/15/49/07/992154907.db2.gz GITDFMJBZAHWOV-ZETCQYMHSA-N -2 3 247.291 2.072 20 0 BEADHL CC[C@H](C)[C@H]([N-]c1nc(C(C)C)no1)C(=O)[O-] ZINC000263413721 535984685 /nfs/dbraw/zinc/98/46/85/535984685.db2.gz NFCRMSAIGJHCQX-YUMQZZPRSA-N -2 3 241.291 2.104 20 0 BEADHL O=C([O-])c1csc(C=Cc2nccc(=O)[n-]2)c1 ZINC000782205725 585812177 /nfs/dbraw/zinc/81/21/77/585812177.db2.gz AIPWAJXHAWRVID-UPHRSURJSA-N -2 3 248.263 2.112 20 0 BEADHL CC[C@H](C)CC[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224601021 973787253 /nfs/dbraw/zinc/78/72/53/973787253.db2.gz DAEQERNHTIRQNS-VHSXEESVSA-N -2 3 238.264 2.396 20 0 BEADHL C[C@@H]1CCC[C@@H](OCCP(=O)([O-])[O-])[C@@H]1C ZINC001224601628 973788006 /nfs/dbraw/zinc/78/80/06/973788006.db2.gz ISPJPBPOWPZALX-OPRDCNLKSA-N -2 3 236.248 2.005 20 0 BEADHL CCCC[C@H](CC)OCCP(=O)([O-])[O-] ZINC001224606332 973792260 /nfs/dbraw/zinc/79/22/60/973792260.db2.gz OKFOVYKOTGSJSW-VIFPVBQESA-N -2 3 224.237 2.150 20 0 BEADHL CCC[C@@H](OCCP(=O)([O-])[O-])[C@H](C)CC ZINC001224606762 973792959 /nfs/dbraw/zinc/79/29/59/973792959.db2.gz RQCHHDQMGMDRHV-NXEZZACHSA-N -2 3 238.264 2.396 20 0 BEADHL Cc1cc([N-]c2nnco2)cc(C)c1C(=O)[O-] ZINC001216307390 971027715 /nfs/dbraw/zinc/02/77/15/971027715.db2.gz BXOWWFGCLCJMTD-UHFFFAOYSA-N -2 3 233.227 2.128 20 0 BEADHL CC/C=C(\C)[C@@H](CC)OCCP(=O)([O-])[O-] ZINC001224601455 973788686 /nfs/dbraw/zinc/78/86/86/973788686.db2.gz HJAVLQLMRMQYIY-OLKPEBQYSA-N -2 3 236.248 2.316 20 0 BEADHL CCC[C@@H](C)[C@@H](CC)OCCP(=O)([O-])[O-] ZINC001224601039 973788870 /nfs/dbraw/zinc/78/88/70/973788870.db2.gz DKXMRJGNKACDBE-NXEZZACHSA-N -2 3 238.264 2.396 20 0 BEADHL CC(C)CCC[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224607838 973790570 /nfs/dbraw/zinc/79/05/70/973790570.db2.gz WMYBMWSQPDAOQB-SNVBAGLBSA-N -2 3 238.264 2.396 20 0 BEADHL CC(C)C[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225022374 974147537 /nfs/dbraw/zinc/14/75/37/974147537.db2.gz OAGZRBJEHYFBDO-JTQLQIEISA-N -2 3 238.264 2.396 20 0 BEADHL O=C([O-])c1ccc(Nc2ncc(F)cc2[O-])cc1 ZINC001176709373 978173958 /nfs/dbraw/zinc/17/39/58/978173958.db2.gz KLTLGHPZQZNMEX-UHFFFAOYSA-N -2 3 248.213 2.368 20 0 BEADHL O=c1nc(-c2ccc([O-])cn2)[n-]c2ccsc21 ZINC000427457175 191075751 /nfs/dbraw/zinc/07/57/51/191075751.db2.gz CYWBPLQMNCQCJN-UHFFFAOYSA-N -2 3 245.263 2.165 20 0 BEADHL O=C(Nc1ccc(F)cc1[O-])c1ccccc1[O-] ZINC000436601322 201332398 /nfs/dbraw/zinc/33/23/98/201332398.db2.gz JUXYRLHEIUIPFC-UHFFFAOYSA-N -2 3 247.225 2.489 20 0 BEADHL O=Cc1ccc(-c2ccc(C(=O)[O-])cc2[O-])o1 ZINC000874971530 590158152 /nfs/dbraw/zinc/15/81/52/590158152.db2.gz LFEHGBKWVMBFNC-UHFFFAOYSA-N -2 3 232.191 2.163 20 0 BEADHL CCC[C@@H](C)[C@H](CC)OCCP(=O)([O-])[O-] ZINC001224601042 973786549 /nfs/dbraw/zinc/78/65/49/973786549.db2.gz DKXMRJGNKACDBE-ZJUUUORDSA-N -2 3 238.264 2.396 20 0 BEADHL C[C@@H](OCCP(=O)([O-])[O-])c1cccc(F)c1 ZINC001224601875 973789241 /nfs/dbraw/zinc/78/92/41/973789241.db2.gz LUTBHGOFJVUKLP-MRVPVSSYSA-N -2 3 248.190 2.081 20 0 BEADHL CCC(CC)[C@@H](CC)OCCP(=O)([O-])[O-] ZINC001224605913 973790915 /nfs/dbraw/zinc/79/09/15/973790915.db2.gz LAPCNWVUJIHLGA-SNVBAGLBSA-N -2 3 238.264 2.396 20 0 BEADHL CCC[C@H](OCCP(=O)([O-])[O-])C(C)C ZINC001224607912 973794753 /nfs/dbraw/zinc/79/47/53/973794753.db2.gz WQLPVNYGJQWQMN-VIFPVBQESA-N -2 3 224.237 2.005 20 0 BEADHL O=P([O-])([O-])CCCCOC1CCCCC1 ZINC001225023252 974147622 /nfs/dbraw/zinc/14/76/22/974147622.db2.gz WKYCWNNIPZMREK-UHFFFAOYSA-N -2 3 236.248 2.294 20 0 BEADHL C[C@@H](Oc1ccnc(=S)[n-]1)C1=CC=C[CH]1 ZINC001226940781 975165677 /nfs/dbraw/zinc/16/56/77/975165677.db2.gz VOSFQQJSKVDQSA-MRVPVSSYSA-N -2 3 219.289 2.233 20 0 BEADHL Cc1ccc(C(=O)[O-])cc1-c1ccc(=S)[n-]n1 ZINC001241000566 982082480 /nfs/dbraw/zinc/08/24/80/982082480.db2.gz PYDKBDKGTSRZJL-UHFFFAOYSA-N -2 3 246.291 2.439 20 0 BEADHL O=C(Nc1ccccc1[O-])c1ccc(F)cc1[O-] ZINC000123266144 360399475 /nfs/dbraw/zinc/39/94/75/360399475.db2.gz FZTMMDPPNMMQGD-UHFFFAOYSA-N -2 3 247.225 2.489 20 0 BEADHL O=C([O-])CCCNCc1cccc([O-])c1Cl ZINC000328218444 487630555 /nfs/dbraw/zinc/63/05/55/487630555.db2.gz KTYDOUBKEAVSHA-UHFFFAOYSA-N -2 3 243.690 2.000 20 0 BEADHL CC[C@@H]([N-]c1nc(-c2ccccc2)no1)C(=O)[O-] ZINC000668159572 487855494 /nfs/dbraw/zinc/85/54/94/487855494.db2.gz FFZLWPSGPMCLKD-SECBINFHSA-N -2 3 247.254 2.012 20 0 BEADHL O=C([O-])c1cnc(C=Cc2cccs2)[n-]c1=O ZINC000670369863 488105773 /nfs/dbraw/zinc/10/57/73/488105773.db2.gz GXRUBCYJGTZECV-ARJAWSKDSA-N -2 3 248.263 2.112 20 0 BEADHL O=C(Nc1c([O-])cccc1F)c1cccc([O-])c1 ZINC000679643851 488362168 /nfs/dbraw/zinc/36/21/68/488362168.db2.gz LJXZDHKWMNMRAH-UHFFFAOYSA-N -2 3 247.225 2.489 20 0 BEADHL O=Cc1ccc(-c2ncc(C(=O)[O-])cc2[O-])s1 ZINC000874971206 590158269 /nfs/dbraw/zinc/15/82/69/590158269.db2.gz VYRNIEXTONJFGR-UHFFFAOYSA-N -2 3 249.247 2.026 20 0 BEADHL O=C(Nc1ncccc1[O-])c1cc2occc2[n-]1 ZINC000132881079 591745107 /nfs/dbraw/zinc/74/51/07/591745107.db2.gz ZQVBYSDOOKSBNB-UHFFFAOYSA-N -2 3 243.222 2.114 20 0 BEADHL CCC[C@H](C)[C@@H](CC)OCCP(=O)([O-])[O-] ZINC001224601041 973785834 /nfs/dbraw/zinc/78/58/34/973785834.db2.gz DKXMRJGNKACDBE-VHSXEESVSA-N -2 3 238.264 2.396 20 0 BEADHL C[C@@H](OCCP(=O)([O-])[O-])c1cccs1 ZINC001224603739 973791019 /nfs/dbraw/zinc/79/10/19/973791019.db2.gz BPDDJXCWJFSTCZ-SSDOTTSWSA-N -2 3 236.229 2.003 20 0 BEADHL CC[C@@H](OCCP(=O)([O-])[O-])C(C)(C)C ZINC001224603566 973787174 /nfs/dbraw/zinc/78/71/74/973787174.db2.gz ABELWSVPKIEOEG-MRVPVSSYSA-N -2 3 224.237 2.005 20 0 BEADHL C[C@@H]1CCC[C@@H](OCCP(=O)([O-])[O-])[C@H]1C ZINC001224601627 973787316 /nfs/dbraw/zinc/78/73/16/973787316.db2.gz ISPJPBPOWPZALX-KXUCPTDWSA-N -2 3 236.248 2.005 20 0 BEADHL Cc1ccc([C@H](C)OCCP(=O)([O-])[O-])cc1 ZINC001224603216 973795418 /nfs/dbraw/zinc/79/54/18/973795418.db2.gz WJOFPCJCHCQEJW-JTQLQIEISA-N -2 3 244.227 2.250 20 0 BEADHL C[C@@H]1CC[C@H](OCCP(=O)([O-])[O-])C[C@H]1C ZINC001224603644 973791426 /nfs/dbraw/zinc/79/14/26/973791426.db2.gz AWEXRQBUEFRRIT-BBBLOLIVSA-N -2 3 236.248 2.005 20 0 BEADHL CC[C@@H](OCCP(=O)([O-])[O-])c1ccccc1 ZINC001224605384 973793805 /nfs/dbraw/zinc/79/38/05/973793805.db2.gz IIJOIPNCJHEUAU-LLVKDONJSA-N -2 3 244.227 2.332 20 0 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Cc1ccccc1[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224605457 964801081 /nfs/dbraw/zinc/80/10/81/964801081.db2.gz JHXKJUBTPZWENF-SNVBAGLBSA-N -2 3 244.227 2.250 20 0 BEADHL O=P([O-])([O-])CCOC1CCCCCCC1 ZINC001224602027 973788995 /nfs/dbraw/zinc/78/89/95/973788995.db2.gz NDWFPCYMNGXUTA-UHFFFAOYSA-N -2 3 236.248 2.294 20 0 BEADHL C[C@@H]1CCC[C@@H](C)C1OCCP(=O)([O-])[O-] ZINC001224601909 973787341 /nfs/dbraw/zinc/78/73/41/973787341.db2.gz MROMTQSJCMGYTF-RKDXNWHRSA-N -2 3 236.248 2.005 20 0 BEADHL CC(C)[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019692 974146761 /nfs/dbraw/zinc/14/67/61/974146761.db2.gz ZZSYTGWQLGXVFF-SECBINFHSA-N -2 3 224.237 2.005 20 0 BEADHL [O-]c1ccc(F)c([N-]c2nnco2)c1Cl ZINC001250228231 967540764 /nfs/dbraw/zinc/54/07/64/967540764.db2.gz RRAKKISJOMRGSG-UHFFFAOYSA-N -2 3 229.598 2.311 20 0 BEADHL CC[C@@H](C)CC[C@H](C)OCCP(=O)([O-])[O-] ZINC001224601022 973785964 /nfs/dbraw/zinc/78/59/64/973785964.db2.gz DAEQERNHTIRQNS-ZJUUUORDSA-N -2 3 238.264 2.396 20 0 BEADHL CCCC[C@@H](CC)OCCP(=O)([O-])[O-] ZINC001224606331 973793725 /nfs/dbraw/zinc/79/37/25/973793725.db2.gz OKFOVYKOTGSJSW-SECBINFHSA-N -2 3 224.237 2.150 20 0 BEADHL CCC[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019611 974149011 /nfs/dbraw/zinc/14/90/11/974149011.db2.gz YUELXUJQQSHZOO-VIFPVBQESA-N -2 3 224.237 2.150 20 0 BEADHL O=C([O-])c1cnc(Sc2ccccc2[O-])nc1 ZINC001602534920 979125899 /nfs/dbraw/zinc/12/58/99/979125899.db2.gz OOICQQFIMDNXEU-UHFFFAOYSA-N -2 3 248.263 2.032 20 0 BEADHL O=C(Nc1ncccc1[O-])c1cccc([S-])c1 ZINC001186130463 980336921 /nfs/dbraw/zinc/33/69/21/980336921.db2.gz UGALJTHOIVXGDL-UHFFFAOYSA-N -2 3 246.291 2.328 20 0 BEADHL O=C(Nc1c([O-])cccc1F)c1ccccc1[O-] ZINC000092551681 537800242 /nfs/dbraw/zinc/80/02/42/537800242.db2.gz UZYMRZVXSWQBKD-UHFFFAOYSA-N -2 3 247.225 2.489 20 0 BEADHL CC(C)(C)c1ccc([O-])c([N-]S(C)(=O)=O)c1 ZINC000035132924 188111607 /nfs/dbraw/zinc/11/16/07/188111607.db2.gz VXFSHHOHISJWBN-UHFFFAOYSA-N -2 3 243.328 2.061 20 0 BEADHL 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O=C([O-])c1cc(/C=C/c2cccc([O-])c2)ncn1 ZINC000677131892 487979484 /nfs/dbraw/zinc/97/94/84/487979484.db2.gz UFSNFDKYTVOTJE-SNAWJCMRSA-N -2 3 242.234 2.051 20 0 BEADHL O=C([O-])c1cnc(C=Cc2ccccc2)[n-]c1=O ZINC000670370148 488106880 /nfs/dbraw/zinc/10/68/80/488106880.db2.gz FMLTYONRHJLFHW-VOTSOKGWSA-N -2 3 242.234 2.051 20 0 BEADHL CCCCC[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224603728 964799571 /nfs/dbraw/zinc/79/95/71/964799571.db2.gz BLRCTCBRMVQTRQ-SECBINFHSA-N -2 3 224.237 2.150 20 0 BEADHL [O-]c1cc(F)c(-c2ccc(=S)[n-]n2)c(F)c1 ZINC001241119045 982239732 /nfs/dbraw/zinc/23/97/32/982239732.db2.gz DGCJULYVEGGGRQ-UHFFFAOYSA-N -2 3 240.234 2.416 20 0 BEADHL C[C@@H](OCCP(=O)([O-])[O-])c1ccc(F)cc1 ZINC001224606047 973794111 /nfs/dbraw/zinc/79/41/11/973794111.db2.gz LTXDUTZSWFEMHW-MRVPVSSYSA-N -2 3 248.190 2.081 20 0 BEADHL C[C@@H](OCCCCP(=O)([O-])[O-])c1ccco1 ZINC001225018771 974147665 /nfs/dbraw/zinc/14/76/65/974147665.db2.gz HJVLQHBHARIJHU-SECBINFHSA-N -2 3 248.215 2.315 20 0 BEADHL C[C@H](OCCP(=O)([O-])[O-])c1cccc(F)c1 ZINC001224606078 964797887 /nfs/dbraw/zinc/79/78/87/964797887.db2.gz LUTBHGOFJVUKLP-QMMMGPOBSA-N -2 3 248.190 2.081 20 0 BEADHL CC[C@H]1CCCC[C@H]1OCCP(=O)([O-])[O-] ZINC001224608042 964803791 /nfs/dbraw/zinc/80/37/91/964803791.db2.gz YEICMYJMIMFTDH-VHSXEESVSA-N -2 3 236.248 2.150 20 0 BEADHL Cc1nonc1[N-]c1cc([O-])c(F)c(F)c1F ZINC001249959041 967200479 /nfs/dbraw/zinc/20/04/79/967200479.db2.gz RXWDZERXHCPPTG-UHFFFAOYSA-N -2 3 245.160 2.245 20 0 BEADHL CC(C)CC[C@H](C)OCCP(=O)([O-])[O-] ZINC001224605299 973791804 /nfs/dbraw/zinc/79/18/04/973791804.db2.gz HJIKDLQACLQEIE-VIFPVBQESA-N -2 3 224.237 2.005 20 0 BEADHL CC[C@@H](C)C[C@H](CC)OCCP(=O)([O-])[O-] ZINC001224604572 973792619 /nfs/dbraw/zinc/79/26/19/973792619.db2.gz DTQXAYVKKYLHRD-ZJUUUORDSA-N -2 3 238.264 2.396 20 0 BEADHL C[C@@H]1CC[C@H](OCCCCP(=O)([O-])[O-])C1 ZINC001225023209 974148558 /nfs/dbraw/zinc/14/85/58/974148558.db2.gz VZOMBIBTWQPENY-ZJUUUORDSA-N -2 3 236.248 2.150 20 0 BEADHL CCCCC[C@H](CC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227568441 975553711 /nfs/dbraw/zinc/55/37/11/975553711.db2.gz MVGJRIFMTYGLJO-QMMMGPOBSA-N -2 3 241.291 2.021 20 0 BEADHL CCCCCC[C@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227568288 975554204 /nfs/dbraw/zinc/55/42/04/975554204.db2.gz MAFZMWRWRVXPBZ-QMMMGPOBSA-N -2 3 241.291 2.021 20 0 BEADHL CC(C)(C)CCCC(=O)[N-]OCCCC(=O)[O-] ZINC001589771869 988126456 /nfs/dbraw/zinc/12/64/56/988126456.db2.gz MIBNWXSUUPTSEX-UHFFFAOYSA-N -2 3 245.319 2.115 20 0 BEADHL O=C([O-])c1ccnc(Sc2ccccc2[O-])n1 ZINC001608954562 1170208964 /nfs/dbraw/zinc/20/89/64/1170208964.db2.gz VCZIDLBGFRHSBT-UHFFFAOYSA-N -2 3 248.263 2.032 20 0 BEADHL Cc1cnc(C(=O)Nc2ccccc2[O-])c([O-])c1 ZINC000436554105 201332058 /nfs/dbraw/zinc/33/20/58/201332058.db2.gz HQGFDBDQADGCPH-UHFFFAOYSA-N -2 3 244.250 2.054 20 0 BEADHL CC(C)O[N-]C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000868658836 589571137 /nfs/dbraw/zinc/57/11/37/589571137.db2.gz KQKFMEFFHAOPBV-UHFFFAOYSA-N -2 3 243.690 2.044 20 0 BEADHL CCCCC[C@H](C)OCCP(=O)([O-])[O-] ZINC001224600890 973786657 /nfs/dbraw/zinc/78/66/57/973786657.db2.gz BLRCTCBRMVQTRQ-VIFPVBQESA-N -2 3 224.237 2.150 20 0 BEADHL C[C@H](OCCP(=O)([O-])[O-])c1cccs1 ZINC001224603748 973794511 /nfs/dbraw/zinc/79/45/11/973794511.db2.gz BPDDJXCWJFSTCZ-ZETCQYMHSA-N -2 3 236.229 2.003 20 0 BEADHL CCC[C@@H](OCCP(=O)([O-])[O-])C(C)(C)C ZINC001224605920 973795123 /nfs/dbraw/zinc/79/51/23/973795123.db2.gz LCCAWJJTYHMUIF-SECBINFHSA-N -2 3 238.264 2.396 20 0 BEADHL C[C@@H]1CC[C@@H](OCCCCP(=O)([O-])[O-])C1 ZINC001225023200 974149741 /nfs/dbraw/zinc/14/97/41/974149741.db2.gz VZOMBIBTWQPENY-NXEZZACHSA-N -2 3 236.248 2.150 20 0 BEADHL CC[C@@H]1CCCC[C@H]1OCCP(=O)([O-])[O-] ZINC001224608037 964806931 /nfs/dbraw/zinc/80/69/31/964806931.db2.gz YEICMYJMIMFTDH-NXEZZACHSA-N -2 3 236.248 2.150 20 0 BEADHL C[C@@H]1CC[C@H](C)[C@H](OCCP(=O)([O-])[O-])C1 ZINC001224607914 964806884 /nfs/dbraw/zinc/80/68/84/964806884.db2.gz WTXOPZHKUSGWNQ-KXUCPTDWSA-N -2 3 236.248 2.005 20 0 BEADHL CC[C@H]1CC[C@H](OCCP(=O)([O-])[O-])CC1 ZINC001224601289 973786246 /nfs/dbraw/zinc/78/62/46/973786246.db2.gz FVDPTKBOICVNIL-MGCOHNPYSA-N -2 3 236.248 2.150 20 0 BEADHL C[C@H](OCCP(=O)([O-])[O-])c1ccccc1F ZINC001224604626 973796673 /nfs/dbraw/zinc/79/66/73/973796673.db2.gz FCCVWHKLPQSDHN-QMMMGPOBSA-N -2 3 248.190 2.081 20 0 BEADHL C[C@H]1CCC[C@H]1OCCCCP(=O)([O-])[O-] ZINC001225021748 974150922 /nfs/dbraw/zinc/15/09/22/974150922.db2.gz IILLWHARWILCMN-VHSXEESVSA-N -2 3 236.248 2.150 20 0 BEADHL [O-]c1c(F)cc(F)cc1-c1ccc(=S)[n-]n1 ZINC001243502056 985055696 /nfs/dbraw/zinc/05/56/96/985055696.db2.gz RBJPGAXYWGXPOI-UHFFFAOYSA-N -2 3 240.234 2.416 20 0 BEADHL O=C(Nc1ccccc1[O-])c1c([O-])cccc1F ZINC000132569205 344481918 /nfs/dbraw/zinc/48/19/18/344481918.db2.gz GTUNLEXJLVUBLO-UHFFFAOYSA-N -2 3 247.225 2.489 20 0 BEADHL O=C(Nc1cccc([O-])c1F)c1ccccc1[O-] ZINC000180019098 366355346 /nfs/dbraw/zinc/35/53/46/366355346.db2.gz DJJCRZVELNGJTM-UHFFFAOYSA-N -2 3 247.225 2.489 20 0 BEADHL Cc1ccc(-c2nc3cc([O-])ccc3c(=O)[n-]2)o1 ZINC000545887676 325242437 /nfs/dbraw/zinc/24/24/37/325242437.db2.gz GWNWAIHMRMIOQU-UHFFFAOYSA-N -2 3 242.234 2.197 20 0 BEADHL Cc1cccc([O-])c1NC(=O)c1ncccc1[O-] ZINC000133921487 325330572 /nfs/dbraw/zinc/33/05/72/325330572.db2.gz CNKYGJKHSJXKOG-UHFFFAOYSA-N -2 3 244.250 2.054 20 0 BEADHL O=C([O-])c1cnc(C=Cc2cccs2)[n-]c1=O ZINC000670369864 488105502 /nfs/dbraw/zinc/10/55/02/488105502.db2.gz GXRUBCYJGTZECV-ONEGZZNKSA-N -2 3 248.263 2.112 20 0 BEADHL O=Cc1ccc(-c2cc([O-])cc(C(=O)[O-])c2)o1 ZINC000874972261 590158063 /nfs/dbraw/zinc/15/80/63/590158063.db2.gz VSVGSYHMHHMRAJ-UHFFFAOYSA-N -2 3 232.191 2.163 20 0 BEADHL CC(C)C[C@@H]([N-]c1nc(C(C)C)no1)C(=O)[O-] ZINC000263510272 636665101 /nfs/dbraw/zinc/66/51/01/636665101.db2.gz NEGLLPGROJBQHZ-MRVPVSSYSA-N -2 3 241.291 2.104 20 0 BEADHL