smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([O-])c(/C=N/c2ccc3c4c(cccc42)CC3)c(C)c1Cl ZINC000000059962 209394728 /nfs/dbraw/zinc/39/47/28/209394728.db2.gz GAJDQKOEENCZOQ-FOKLQQMPSA-N -1 3 335.834 5.665 40 30 EKEBHM Cc1ccc2nc(-c3ccc(/N=C/c4cccc([O-])c4)cc3)sc2c1 ZINC000000225533 563999643 /nfs/dbraw/zinc/99/96/43/563999643.db2.gz YQOJCLZCRUMDRW-LPYMAVHISA-N -1 3 344.439 5.728 40 30 EKEBHM CC(C)(C)c1ccc([O-])c(/N=C/c2ccc(Br)cc2)c1 ZINC000000295937 563274726 /nfs/dbraw/zinc/27/47/26/563274726.db2.gz GMXGGMKGLJQQLY-YBFXNURJSA-N -1 3 332.241 5.203 40 30 EKEBHM Cc1cc2nc(-c3cccc(/N=C/c4ccccc4[O-])c3)oc2c(C)c1 ZINC000000326418 563996869 /nfs/dbraw/zinc/99/68/69/563996869.db2.gz IPSRZCWUMNUNDH-YDZHTSKRSA-N -1 3 342.398 5.568 40 30 EKEBHM Cc1ccc2oc(-c3ccc(/N=C/c4ccccc4[O-])c(C)c3)nc2c1 ZINC000000344785 563996814 /nfs/dbraw/zinc/99/68/14/563996814.db2.gz OJTNKZXGLKXKPM-YDZHTSKRSA-N -1 3 342.398 5.568 40 30 EKEBHM Cc1ccc2oc(-c3ccccc3/N=C/c3ccccc3[O-])nc2c1 ZINC000000345177 563996801 /nfs/dbraw/zinc/99/68/01/563996801.db2.gz DSGYCOPRZRJOQS-LPYMAVHISA-N -1 3 328.371 5.259 40 30 EKEBHM [O-]c1ccccc1/C=N/c1ccc2oc(-c3ccccc3F)nc2c1 ZINC000000345527 563996818 /nfs/dbraw/zinc/99/68/18/563996818.db2.gz PMMOFNZFINEODN-WSDLNYQXSA-N -1 3 332.334 5.090 40 30 EKEBHM Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccc([O-])cc3)cc1)C2 ZINC000000439149 564012623 /nfs/dbraw/zinc/01/26/23/564012623.db2.gz PBOLAGPFAYFWFJ-ZMOGYAJESA-N -1 3 342.442 5.280 40 30 EKEBHM CC[C@@H](C)c1ccccc1/N=C/c1cc(Br)cc(C)c1[O-] ZINC000000568993 564082838 /nfs/dbraw/zinc/08/28/38/564082838.db2.gz WOIVKIZIKMMMNP-ZICWZVMQSA-N -1 3 346.268 5.727 40 30 EKEBHM CC[C@H](C)c1ccccc1/N=C/c1cc(Br)cc(C)c1[O-] ZINC000000568995 564082847 /nfs/dbraw/zinc/08/28/47/564082847.db2.gz WOIVKIZIKMMMNP-DQAKUKQTSA-N -1 3 346.268 5.727 40 30 EKEBHM CC[C@@H](C)c1ccccc1/N=C/c1cc(Br)ccc1[O-] ZINC000000569002 564082821 /nfs/dbraw/zinc/08/28/21/564082821.db2.gz RQZDUHCWYVFBNB-ZGXHQARYSA-N -1 3 332.241 5.419 40 30 EKEBHM CC[C@H](C)c1ccccc1/N=C/c1cc(Br)ccc1[O-] ZINC000000569004 564082850 /nfs/dbraw/zinc/08/28/50/564082850.db2.gz RQZDUHCWYVFBNB-MKFNJMOCSA-N -1 3 332.241 5.419 40 30 EKEBHM CCOc1cc(Cl)cc(/C=N/c2ccccc2[C@H](C)CC)c1[O-] ZINC000000569016 564082825 /nfs/dbraw/zinc/08/28/25/564082825.db2.gz ODMBEAFHFHHVBY-LNOXHEFASA-N -1 3 331.843 5.708 40 30 EKEBHM CCOc1cc(Cl)cc(/C=N/c2ccccc2[C@@H](C)CC)c1[O-] ZINC000000569018 564082835 /nfs/dbraw/zinc/08/28/35/564082835.db2.gz ODMBEAFHFHHVBY-XMOVILSBSA-N -1 3 331.843 5.708 40 30 EKEBHM [O-]c1ccccc1/C=N/c1ccc(-c2ncc(-c3ccccc3)o2)cc1 ZINC000002801600 564065724 /nfs/dbraw/zinc/06/57/24/564065724.db2.gz ZNWDFQWYLRNDNJ-OEAKJJBVSA-N -1 3 340.382 5.465 40 30 EKEBHM [O-]c1ccc(-c2ccccc2)cc1/N=C/c1ccc(Cl)cc1Cl ZINC000003033592 564154525 /nfs/dbraw/zinc/15/45/25/564154525.db2.gz TUZREUGEWADMPZ-WSDLNYQXSA-N -1 3 342.225 6.117 40 30 EKEBHM [O-]c1ccc2ccccc2c1/C=N/c1nc2ccc(Cl)cc2s1 ZINC000003107655 563912478 /nfs/dbraw/zinc/91/24/78/563912478.db2.gz GAZRXZOKVSCTNY-KEBDBYFISA-N -1 3 338.819 5.559 40 30 EKEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccc(OC(F)(F)C(F)F)cc1 ZINC000003148433 564155513 /nfs/dbraw/zinc/15/55/13/564155513.db2.gz WFPCTJRDDNAPMI-ODCIPOBUSA-N -1 3 347.695 5.033 40 30 EKEBHM [O-]c1ccccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003896883 210086402 /nfs/dbraw/zinc/08/64/02/210086402.db2.gz UVJSOJIKXSUZMH-BUVRLJJBSA-N -1 3 331.459 5.611 40 30 EKEBHM [O-]c1ccccc1/C=N/c1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000005003840 210359274 /nfs/dbraw/zinc/35/92/74/210359274.db2.gz FGLYCLMIXYHFPL-WSDLNYQXSA-N -1 3 348.789 5.604 40 30 EKEBHM CCCCCCC(/C=N/N=C\c1ccccc1[O-])=C/c1ccccc1 ZINC000005030462 210366627 /nfs/dbraw/zinc/36/66/27/210366627.db2.gz UJUCPIUMNCWTEH-POVNFZEGSA-N -1 3 334.463 5.851 40 30 EKEBHM C/C(=C/C(=N\N=C/c1ccccc1[O-])c1ccccc1)c1ccccc1 ZINC000005030473 210367217 /nfs/dbraw/zinc/36/72/17/210367217.db2.gz KGFIXCIEGNPCNP-LZAYRFJISA-N -1 3 340.426 5.319 40 30 EKEBHM [O-]c1ccc2ccccc2c1/C=N/c1c2ccccc2nc2ccccc21 ZINC000005391074 564032091 /nfs/dbraw/zinc/03/20/91/564032091.db2.gz ULBIGKMEHNZPJG-MFKUBSTISA-N -1 3 348.405 5.997 40 30 EKEBHM CC/C(=N\OC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1[O-] ZINC000005523078 564070297 /nfs/dbraw/zinc/07/02/97/564070297.db2.gz GNSCNLFELWNPIU-BSYVCWPDSA-N -1 3 345.398 5.030 40 30 EKEBHM Cc1cc([O-])ccc1/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000005540206 563538162 /nfs/dbraw/zinc/53/81/62/563538162.db2.gz JAUWYJOTKVEQBD-YDZHTSKRSA-N -1 3 339.479 5.752 40 30 EKEBHM CC[C@H](C)c1ccc(/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000005665962 563544495 /nfs/dbraw/zinc/54/44/95/563544495.db2.gz LIDODSBVMRSMEU-MKFNJMOCSA-N -1 3 332.241 5.419 40 30 EKEBHM CC(C)(C)c1cc2oc3c(c2c(/C=N/c2ccccn2)c1[O-])CCCC3 ZINC000005726727 563547305 /nfs/dbraw/zinc/54/73/05/563547305.db2.gz KEHDVZDBLPDJAJ-ZMOGYAJESA-N -1 3 348.446 5.460 40 30 EKEBHM Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc([O-])cc3)cc1)C2 ZINC000005798758 525592569 /nfs/dbraw/zinc/59/25/69/525592569.db2.gz ILAQWSCXMRDYHW-ZMOGYAJESA-N -1 3 342.442 5.280 40 30 EKEBHM CSc1ccccc1/N=C/c1c2c(ccc1[O-])oc1c2CCCC1 ZINC000006182777 563560544 /nfs/dbraw/zinc/56/05/44/563560544.db2.gz KDAWNQDHZJYOJJ-CIAFOILYSA-N -1 3 337.444 5.490 40 30 EKEBHM [O-]c1ccc(Cc2ccccc2Cl)cc1C=NNc1ccccc1 ZINC000006240639 526345092 /nfs/dbraw/zinc/34/50/92/526345092.db2.gz RESLOSOOLIDUBQ-HYARGMPZSA-N -1 3 336.822 5.082 40 30 EKEBHM CCCCC(=O)Nc1cccc(/N=C/c2cc(Cl)cc(C)c2[O-])c1 ZINC000006396799 564034380 /nfs/dbraw/zinc/03/43/80/564034380.db2.gz VLRWLCDGFZPLTE-CIAFOILYSA-N -1 3 344.842 5.233 40 30 EKEBHM [O-]c1ccc(Cl)cc1/C=N/c1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000006554242 563571760 /nfs/dbraw/zinc/57/17/60/563571760.db2.gz VGHOXCKNVVOEDE-WSDLNYQXSA-N -1 3 347.805 5.340 40 30 EKEBHM N#C[C@@H](c1ccccc1)[C@H](C/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC000006575551 563573173 /nfs/dbraw/zinc/57/31/73/563573173.db2.gz LENXMXZDEOPCNP-RFZHNHFISA-N -1 3 340.426 5.346 40 30 EKEBHM N#C[C@@H](c1ccccc1)[C@@H](C/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC000006575706 563573231 /nfs/dbraw/zinc/57/32/31/563573231.db2.gz LENXMXZDEOPCNP-BGWGKYIPSA-N -1 3 340.426 5.346 40 30 EKEBHM Cc1cc(Cl)cc(/C=N/c2ccccc2N2CCCCC2)c1[O-] ZINC000006613123 563574767 /nfs/dbraw/zinc/57/47/67/563574767.db2.gz ZDWWNWCXAYOMNY-FYJGNVAPSA-N -1 3 328.843 5.095 40 30 EKEBHM Cc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2[O-])cc1Cl ZINC000006815208 563587471 /nfs/dbraw/zinc/58/74/71/563587471.db2.gz UOKCGLNIRQOSOJ-OEAKJJBVSA-N -1 3 335.834 5.695 40 30 EKEBHM CCOc1cc(Cl)cc(/C=N/c2ccc3ccccc3c2)c1[O-] ZINC000006892265 563590851 /nfs/dbraw/zinc/59/08/51/563590851.db2.gz HZTLWTDXKUTHAR-CIAFOILYSA-N -1 3 325.795 5.348 40 30 EKEBHM CCOc1cc(Cl)cc(/C=N/c2ccccc2C(F)(F)F)c1[O-] ZINC000006892266 563590936 /nfs/dbraw/zinc/59/09/36/563590936.db2.gz IXVKRGQRDXDDLD-ZVBGSRNCSA-N -1 3 343.732 5.214 40 30 EKEBHM C/C(=C\C(=N\N=C/c1ccccc1[O-])c1ccccc1)c1ccccc1 ZINC000008637431 563633984 /nfs/dbraw/zinc/63/39/84/563633984.db2.gz KGFIXCIEGNPCNP-QCDBHMOYSA-N -1 3 340.426 5.319 40 30 EKEBHM [O-]c1ccccc1/C=N\N=C(/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000008637737 563633923 /nfs/dbraw/zinc/63/39/23/563633923.db2.gz IRGXMSVMSRIOPZ-GEXFZYLTSA-N -1 3 344.389 5.068 40 30 EKEBHM [O-]c1ccccc1/C=N\N=C(\C=C\c1ccccc1)c1ccc(F)cc1 ZINC000008637739 563634029 /nfs/dbraw/zinc/63/40/29/563634029.db2.gz IRGXMSVMSRIOPZ-WYKHRQCBSA-N -1 3 344.389 5.068 40 30 EKEBHM [O-]c1ccc2ccccc2c1/C=N/Cc1c(O)ccc2ccccc21 ZINC000012671689 563667547 /nfs/dbraw/zinc/66/75/47/563667547.db2.gz FQPAVMLGOVHHFR-YDZHTSKRSA-N -1 3 327.383 5.023 40 30 in-vitro EKEBHM [O-]c1ccc(Cl)cc1C=NNc1c2ccccc2nc2ccccc21 ZINC000013284056 563693868 /nfs/dbraw/zinc/69/38/68/563693868.db2.gz NCKMTMWOCZXEPQ-WSDLNYQXSA-N -1 3 347.805 5.193 40 30 EKEBHM [O-]c1ccc(/N=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000016523989 563814002 /nfs/dbraw/zinc/81/40/02/563814002.db2.gz FJDWCVARPJEBGJ-BKUYFWCQSA-N -1 3 345.427 5.057 40 30 EKEBHM CC[C@@H](C)c1ccc(/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000016610494 563817825 /nfs/dbraw/zinc/81/78/25/563817825.db2.gz LIDODSBVMRSMEU-ZGXHQARYSA-N -1 3 332.241 5.419 40 30 EKEBHM CCCCCCC(=C\c1ccccc1)/C=N\N=C/c1ccccc1[O-] ZINC000016919617 563825751 /nfs/dbraw/zinc/82/57/51/563825751.db2.gz UJUCPIUMNCWTEH-FPJQFRICSA-N -1 3 334.463 5.851 40 30 EKEBHM CCCCCCC(/C=N/N=C\c1ccccc1[O-])=C\c1ccccc1 ZINC000016919622 563825708 /nfs/dbraw/zinc/82/57/08/563825708.db2.gz UJUCPIUMNCWTEH-WXPOLXEDSA-N -1 3 334.463 5.851 40 30 EKEBHM C/C(=C\C(=N/N=C\c1ccccc1[O-])c1ccccc1)c1ccccc1 ZINC000016919677 518416302 /nfs/dbraw/zinc/41/63/02/518416302.db2.gz KGFIXCIEGNPCNP-BEBMDQANSA-N -1 3 340.426 5.319 40 30 EKEBHM [O-]c1ccc2ccccc2c1/C=N\N=C1c2ccccc2-c2ccccc21 ZINC000016921084 563826094 /nfs/dbraw/zinc/82/60/94/563826094.db2.gz BOBDOSQGFIXBCS-MYYYXRDXSA-N -1 3 348.405 5.397 40 30 EKEBHM [O-]c1ccccc1/C=N\N=C(/C=C\c1ccccc1)c1ccc(F)cc1 ZINC000016922725 563826049 /nfs/dbraw/zinc/82/60/49/563826049.db2.gz IRGXMSVMSRIOPZ-GQMKYLCSSA-N -1 3 344.389 5.068 40 30 EKEBHM [O-]c1ccccc1/C=N\N=C(\C=C/c1ccccc1)c1ccc(F)cc1 ZINC000016922729 526370378 /nfs/dbraw/zinc/37/03/78/526370378.db2.gz IRGXMSVMSRIOPZ-QIZVARQCSA-N -1 3 344.389 5.068 40 30 EKEBHM CCCSc1nc2ccc(/N=C/c3ccccc3[O-])cc2s1 ZINC000017125639 563837605 /nfs/dbraw/zinc/83/76/05/563837605.db2.gz MITRFJAIWOSLBJ-WOJGMQOQSA-N -1 3 328.462 5.255 40 30 EKEBHM CCCCSc1nc2ccc(/N=C/c3ccccc3[O-])cc2s1 ZINC000017125644 563837698 /nfs/dbraw/zinc/83/76/98/563837698.db2.gz SFMBWKWAPIJOAS-XDHOZWIPSA-N -1 3 342.489 5.645 40 30 EKEBHM CC/C(=N\[O-])c1ccc2cc(Br)c3ccccc3c2c1 ZINC000017156044 563838857 /nfs/dbraw/zinc/83/88/57/563838857.db2.gz XGZRVOLTGCVKOT-HTXNQAPBSA-N -1 3 328.209 5.344 40 30 EKEBHM Cc1ccc(C(C)C)c(O)c1/N=C\c1cc(Br)ccc1[O-] ZINC000017312089 563842675 /nfs/dbraw/zinc/84/26/75/563842675.db2.gz MSASHQFQKVQVFT-OCKHKDLRSA-N -1 3 348.240 5.043 40 30 EKEBHM [O-]c1ccc(/C=N/c2cc3c4ccccc4ccc3c3ccccc23)cc1 ZINC000018099477 563848726 /nfs/dbraw/zinc/84/87/26/563848726.db2.gz IUSHYZSYYSOCDX-WGOQTCKBSA-N -1 3 347.417 6.602 40 30 EKEBHM Cc1cccc(/C=N/c2ccccc2/N=C/c2cccc(C)c2O)c1[O-] ZINC000018252351 563851997 /nfs/dbraw/zinc/85/19/97/563851997.db2.gz DNVUYVBRNCWGAK-RNIAWFEPSA-N -1 3 344.414 5.216 40 30 in-vitro EKEBHM [O-]c1c(/C=N/c2ccc(Br)cc2)ccc2ccccc12 ZINC000032101580 202221440 /nfs/dbraw/zinc/22/14/40/202221440.db2.gz GHNSLMGYVKZPQV-YBFXNURJSA-N -1 3 326.193 5.059 40 30 EKEBHM [O-]c1c(/C=N/c2cccc(Br)c2)ccc2ccccc12 ZINC000032101584 202221083 /nfs/dbraw/zinc/22/10/83/202221083.db2.gz NFTVASZWBBPDGV-YBFXNURJSA-N -1 3 326.193 5.059 40 30 EKEBHM [O-]c1c(/C=N/c2ccc(Oc3ccccc3)cc2)ccc2ccccc21 ZINC000032101631 202221878 /nfs/dbraw/zinc/22/18/78/202221878.db2.gz FBDYQLDIFTXMEX-LFVJCYFKSA-N -1 3 339.394 6.088 40 30 EKEBHM [O-]/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000033785574 564129875 /nfs/dbraw/zinc/12/98/75/564129875.db2.gz CFRAKHMKYRWUSO-CNHKJKLMSA-N -1 3 330.598 5.034 40 30 EKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(F)c(C(F)(F)F)c1 ZINC000039379105 563899891 /nfs/dbraw/zinc/89/98/91/563899891.db2.gz HTCDZDOHEUZFIE-AUEPDCJTSA-N -1 3 333.284 5.454 40 30 EKEBHM C=CCc1cc(/C=N/c2cc(Cl)ccc2C)cc(OCC)c1[O-] ZINC000059248870 564050544 /nfs/dbraw/zinc/05/05/44/564050544.db2.gz YXIWSLQWBWZXBT-CIAFOILYSA-N -1 3 329.827 5.232 40 30 EKEBHM C=CCc1cc(/C=N/c2cccc3ccccc32)cc(OCC)c1[O-] ZINC000059249001 564050580 /nfs/dbraw/zinc/05/05/80/564050580.db2.gz AIWVIHZLLVFQQI-HZHRSRAPSA-N -1 3 331.415 5.423 40 30 EKEBHM C=CCc1cc(/C=N/c2ccc([C@H](C)CC)cc2)cc(OCC)c1[O-] ZINC000059250465 257850522 /nfs/dbraw/zinc/85/05/22/257850522.db2.gz YRPKWQLDQGJOKR-LGVXEURYSA-N -1 3 337.463 5.784 40 30 EKEBHM C=CCc1cc(/C=N/c2ccc([C@@H](C)CC)cc2)cc(OCC)c1[O-] ZINC000059250466 564050585 /nfs/dbraw/zinc/05/05/85/564050585.db2.gz YRPKWQLDQGJOKR-PFRBSUFTSA-N -1 3 337.463 5.784 40 30 EKEBHM C=CCc1cc(/C=N/c2ccc(F)c(Cl)c2)cc(OCC)c1[O-] ZINC000059303213 257850589 /nfs/dbraw/zinc/85/05/89/257850589.db2.gz DZRLUHHTGSWEPS-SRZZPIQSSA-N -1 3 333.790 5.063 40 30 EKEBHM N#Cc1c(/N=C/c2ccc([O-])cc2)oc(-c2ccco2)c1-c1ccco1 ZINC000059490122 564050861 /nfs/dbraw/zinc/05/08/61/564050861.db2.gz QHVMBOYTLMHMHK-WSDLNYQXSA-N -1 3 344.326 5.127 40 30 EKEBHM C=CCc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(OCC)c1[O-] ZINC000059678291 257849745 /nfs/dbraw/zinc/84/97/45/257849745.db2.gz YREITUARECHCFZ-CIAFOILYSA-N -1 3 329.827 5.232 40 30 EKEBHM C=CCc1cc(/C=N/c2ccc(CCCC)cc2)cc(OCC)c1[O-] ZINC000059678458 564050980 /nfs/dbraw/zinc/05/09/80/564050980.db2.gz WREJHUBFWKHIBG-XQNSMLJCSA-N -1 3 337.463 5.613 40 30 EKEBHM C=CCc1cc(/C=N/c2cccc(Cl)c2C)cc(OCC)c1[O-] ZINC000059679243 257849674 /nfs/dbraw/zinc/84/96/74/257849674.db2.gz OMQKCJPYHHFZHI-CIAFOILYSA-N -1 3 329.827 5.232 40 30 EKEBHM CCCCCCCCCCC/C(=N/[O-])c1ccc(O)c2ncccc12 ZINC000073280017 563966540 /nfs/dbraw/zinc/96/65/40/563966540.db2.gz HGVLSCJIZJAIFB-NMWGTECJSA-N -1 3 342.483 6.040 40 30 EKEBHM [O-]c1ccc2ccccc2c1/C=N\c1ccc(Br)cc1 ZINC000086053385 563974070 /nfs/dbraw/zinc/97/40/70/563974070.db2.gz PXLPAZKKRLOYAO-ODLFYWEKSA-N -1 3 326.193 5.059 40 30 EKEBHM [O-]c1ccc2ccccc2c1/C=N\c1cccc(Br)c1 ZINC000096006210 563977919 /nfs/dbraw/zinc/97/79/19/563977919.db2.gz IFCQGLWWMCKCFN-ODLFYWEKSA-N -1 3 326.193 5.059 40 30 EKEBHM [O-]c1ccc2ccccc2c1/C=N\Cc1c(O)ccc2ccccc21 ZINC000096901458 563981173 /nfs/dbraw/zinc/98/11/73/563981173.db2.gz FQPAVMLGOVHHFR-QRVIBDJDSA-N -1 3 327.383 5.023 40 30 in-vitro EKEBHM CCCCCCCCCCCC(=O)c1c([O-])ccc2ccccc21 ZINC000100071414 563982335 /nfs/dbraw/zinc/98/23/35/563982335.db2.gz LGQPEUSEBNFGEC-UHFFFAOYSA-N -1 3 326.480 6.649 40 30 EKEBHM Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3cccc([O-])c3)cc1)C2 ZINC000100102529 206219096 /nfs/dbraw/zinc/21/90/96/206219096.db2.gz UPFGBZGPNOGBCB-ZMOGYAJESA-N -1 3 342.442 5.280 40 30 EKEBHM [O-]c1ccc2ccccc2c1/C=N\c1ccc(Oc2ccccc2)cc1 ZINC000100248266 563982449 /nfs/dbraw/zinc/98/24/49/563982449.db2.gz HPHAMBOJMRZCFU-JLPGSUDCSA-N -1 3 339.394 6.088 40 30 EKEBHM [O-]c1c(/C=N\c2ccc(Br)cc2)ccc2ccccc12 ZINC000100248412 563982462 /nfs/dbraw/zinc/98/24/62/563982462.db2.gz GHNSLMGYVKZPQV-ODLFYWEKSA-N -1 3 326.193 5.059 40 30 EKEBHM [O-]c1c(/C=N\c2cccc(Br)c2)ccc2ccccc12 ZINC000100248419 563982442 /nfs/dbraw/zinc/98/24/42/563982442.db2.gz NFTVASZWBBPDGV-ODLFYWEKSA-N -1 3 326.193 5.059 40 30 EKEBHM [O-]c1c(/C=N\c2ccc(Oc3ccccc3)cc2)ccc2ccccc21 ZINC000100248490 219095610 /nfs/dbraw/zinc/09/56/10/219095610.db2.gz FBDYQLDIFTXMEX-JLPGSUDCSA-N -1 3 339.394 6.088 40 30 EKEBHM CCCCCCCCCCCCOC(=O)c1ccc([O-])c(OC)c1 ZINC000100311125 563982553 /nfs/dbraw/zinc/98/25/53/563982553.db2.gz WUVQTCSYFYTZTM-UHFFFAOYSA-N -1 3 336.472 5.479 40 30 EKEBHM CCOc1ccc(/C=N/c2cc(C(C)C)c([O-])cc2C)cc1OCC ZINC000100344135 563992237 /nfs/dbraw/zinc/99/22/37/563992237.db2.gz XTKVXRGPRHAEQY-LPYMAVHISA-N -1 3 341.451 5.372 40 30 EKEBHM N#C[C@@H](c1ccccc1)[C@H](C/C(=N/[O-])c1ccccc1)c1ccccc1 ZINC000100367399 563982576 /nfs/dbraw/zinc/98/25/76/563982576.db2.gz LENXMXZDEOPCNP-MXYLMPPISA-N -1 3 340.426 5.346 40 30 EKEBHM N#C[C@@H](c1ccccc1)[C@@H](C/C(=N/[O-])c1ccccc1)c1ccccc1 ZINC000100367407 219097905 /nfs/dbraw/zinc/09/79/05/219097905.db2.gz LENXMXZDEOPCNP-QIJFPUFLSA-N -1 3 340.426 5.346 40 30 EKEBHM C=CCSc1nc2ccc(/N=C\c3ccccc3[O-])cc2s1 ZINC000100457706 219099842 /nfs/dbraw/zinc/09/98/42/219099842.db2.gz ZWPBLWYDADPJLU-WQRHYEAKSA-N -1 3 326.446 5.031 40 30 EKEBHM [O-]c1ccc2ccccc2c1[C@@H](/N=C\c1ccccc1)c1ccccc1 ZINC000100520875 219101502 /nfs/dbraw/zinc/10/15/02/219101502.db2.gz IBKFPODMQLEYRC-FDJRJZQMSA-N -1 3 337.422 5.754 40 30 EKEBHM [O-]c1ccc2ccccc2c1[C@H](/N=C\c1ccccc1)c1ccccc1 ZINC000100520877 219101278 /nfs/dbraw/zinc/10/12/78/219101278.db2.gz IBKFPODMQLEYRC-KRFWEUHSSA-N -1 3 337.422 5.754 40 30 EKEBHM [O-]c1ccc2ccccc2c1/C=N/CC12CC3C[C@H](C1)CC[C@@H](C3)C2 ZINC000100906952 219110842 /nfs/dbraw/zinc/11/08/42/219110842.db2.gz DOYBWORBPPFDRB-CUNQOXMESA-N -1 3 333.475 5.571 40 30 EKEBHM CCCCCCCCCCCCS(=O)(=O)[N-]c1ccccc1O ZINC000100922116 563982798 /nfs/dbraw/zinc/98/27/98/563982798.db2.gz AOERYILZWHVJIQ-UHFFFAOYSA-N -1 3 341.517 5.055 40 30 EKEBHM CCCCCCCCCCC/C(=N\[O-])c1ccc(OC)cc1OC ZINC000100923397 563982802 /nfs/dbraw/zinc/98/28/02/563982802.db2.gz UNVUERRJNIDPEW-XUTLUUPISA-N -1 3 335.488 5.803 40 30 EKEBHM CCCCCCCCCCCCOc1ccc(/C(C)=N/[O-])c(O)c1 ZINC000100925747 563982810 /nfs/dbraw/zinc/98/28/10/563982810.db2.gz WAUSDVTUNYNASN-HEHNFIMWSA-N -1 3 335.488 5.890 40 30 EKEBHM CCCCCCCCCC(=O)c1cc(CCCCCC)c([O-])cc1O ZINC000100925767 219112153 /nfs/dbraw/zinc/11/21/53/219112153.db2.gz VWPWRLLFFIQONK-UHFFFAOYSA-N -1 3 348.527 6.544 40 30 EKEBHM CCCCCCCCOc1cc([O-])c(C(C)=O)cc1Br ZINC000100927950 563982829 /nfs/dbraw/zinc/98/28/29/563982829.db2.gz LMGLVWGWMAPMRT-UHFFFAOYSA-N -1 3 343.261 5.097 40 30 EKEBHM CCCCCCC/C(=N\[O-])c1ccc(OCc2ccccc2)cc1O ZINC000100930231 219111668 /nfs/dbraw/zinc/11/16/68/219111668.db2.gz JFGLZRGAUDHWIW-LSDHQDQOSA-N -1 3 341.451 5.510 40 30 EKEBHM CCCCCCCC/C(=N\[O-])c1ccc(OCCCCCC)cc1O ZINC000100930239 219111555 /nfs/dbraw/zinc/11/15/55/219111555.db2.gz HMTDDFYTRKMQJU-LSDHQDQOSA-N -1 3 349.515 6.280 40 30 EKEBHM CCCCCCCCCCCCC/C(=N\O)c1ccc(OC)cc1[O-] ZINC000100930277 563982817 /nfs/dbraw/zinc/98/28/17/563982817.db2.gz CNJZQQPRVAVQDU-LSDHQDQOSA-N -1 3 349.515 6.280 40 30 EKEBHM CCCCCCCCCCCCC/C(=N\[O-])c1ccc(OC)cc1O ZINC000100930277 563982816 /nfs/dbraw/zinc/98/28/16/563982816.db2.gz CNJZQQPRVAVQDU-LSDHQDQOSA-N -1 3 349.515 6.280 40 30 EKEBHM CCCCCCCCCCCCN1CCN=C1c1ccccc1[O-] ZINC000100930295 219111893 /nfs/dbraw/zinc/11/18/93/219111893.db2.gz CLINQNKLPRZHAV-UHFFFAOYSA-N -1 3 330.516 5.375 40 30 EKEBHM CCCCCCCCCCCCC(=N\[O-])/C(=N/O)c1ccccc1 ZINC000100932731 563982868 /nfs/dbraw/zinc/98/28/68/563982868.db2.gz CXOBPNQNOVHSGX-FLFKKZLDSA-N -1 3 332.488 6.006 40 30 EKEBHM CCCCCCCCCCCC(=O)c1ccc2cccnc2c1[O-] ZINC000100935824 563982835 /nfs/dbraw/zinc/98/28/35/563982835.db2.gz DIYUKFALQUOEES-UHFFFAOYSA-N -1 3 327.468 6.044 40 30 EKEBHM CCCCCCCCCCCC(=O)c1ccc2ccc(C)nc2c1[O-] ZINC000100935826 563982855 /nfs/dbraw/zinc/98/28/55/563982855.db2.gz VXWVCNGEOMSYLB-UHFFFAOYSA-N -1 3 341.495 6.352 40 30 EKEBHM CCCCCCCCCCC(=O)c1ccc2ccc(C)nc2c1[O-] ZINC000100935828 563982851 /nfs/dbraw/zinc/98/28/51/563982851.db2.gz KTGKHRSYLCUUEY-UHFFFAOYSA-N -1 3 327.468 5.962 40 30 EKEBHM CCCCCCCCCCSCc1ccc([O-])c2ncccc12 ZINC000100935869 563982862 /nfs/dbraw/zinc/98/28/62/563982862.db2.gz UZIREWZRCKSMDQ-UHFFFAOYSA-N -1 3 331.525 6.314 40 30 EKEBHM CCCCCCCCC/C(=N\O)c1ccc2ccc(C)nc2c1[O-] ZINC000100935877 563982845 /nfs/dbraw/zinc/98/28/45/563982845.db2.gz WRJPQZUOKIDKPA-RELWKKBWSA-N -1 3 328.456 5.568 40 30 EKEBHM CCCCCCCCCCC/C(=N\O)c1ccc2cccnc2c1[O-] ZINC000100935878 563982841 /nfs/dbraw/zinc/98/28/41/563982841.db2.gz CZTKYFOZBDZFGO-FCDQGJHFSA-N -1 3 342.483 6.040 40 30 EKEBHM CCCCCCCCCCNC(=S)Nc1cc(Cl)ccc1[O-] ZINC000100950734 563982880 /nfs/dbraw/zinc/98/28/80/563982880.db2.gz UYWBOCPUIGJQAQ-UHFFFAOYSA-N -1 3 342.936 5.473 40 30 EKEBHM CCCCCCCCOc1ccc(/N=C/c2ccc([O-])cc2)cc1 ZINC000101004821 219113786 /nfs/dbraw/zinc/11/37/86/219113786.db2.gz CDDDUNMGHXGJLW-OQKWZONESA-N -1 3 325.452 5.882 40 30 EKEBHM Cc1ccc2nc(-c3ccc(/N=C\c4ccccc4[O-])cc3)sc2c1 ZINC000103295214 219285425 /nfs/dbraw/zinc/28/54/25/219285425.db2.gz NDTLSVIHPFXUNH-XKZIYDEJSA-N -1 3 344.439 5.728 40 30 EKEBHM CCCCCCCCCCC/C(=N\[O-])c1ccc(O)c2ncccc12 ZINC000103842497 563983454 /nfs/dbraw/zinc/98/34/54/563983454.db2.gz HGVLSCJIZJAIFB-FCDQGJHFSA-N -1 3 342.483 6.040 40 30 EKEBHM [O-]c1ccc(Cl)cc1C=NNc1c2ccccc2nc2ccccc21 ZINC000104093224 204096442 /nfs/dbraw/zinc/09/64/42/204096442.db2.gz NCKMTMWOCZXEPQ-UUYOSTAYSA-N -1 3 347.805 5.193 40 30 EKEBHM CCCCCCC(/C=N\N=C/c1ccccc1[O-])=C/c1ccccc1 ZINC000104099047 219347140 /nfs/dbraw/zinc/34/71/40/219347140.db2.gz UJUCPIUMNCWTEH-IRYCUDSLSA-N -1 3 334.463 5.851 40 30 EKEBHM C/C(=C/C(=N/N=C\c1ccccc1[O-])c1ccccc1)c1ccccc1 ZINC000104099072 219347496 /nfs/dbraw/zinc/34/74/96/219347496.db2.gz KGFIXCIEGNPCNP-MEKZSABGSA-N -1 3 340.426 5.319 40 30 EKEBHM CCCCCCCCCCCCCCCCCC[N-]C(=S)OC ZINC000104161387 204098388 /nfs/dbraw/zinc/09/83/88/204098388.db2.gz SGECOFXATPPNNW-UHFFFAOYSA-N -1 3 343.621 6.769 40 30 EKEBHM CCCCCCCCCCCCCCOC(=O)c1ccc([O-])cc1 ZINC000104206630 563983540 /nfs/dbraw/zinc/98/35/40/563983540.db2.gz DATMKDBMEZKPLP-UHFFFAOYSA-N -1 3 334.500 6.250 40 30 EKEBHM CCCSc1nc2ccc(/N=C\c3ccccc3[O-])cc2s1 ZINC000104213441 520568694 /nfs/dbraw/zinc/56/86/94/520568694.db2.gz MITRFJAIWOSLBJ-WQRHYEAKSA-N -1 3 328.462 5.255 40 30 EKEBHM CCCCSc1nc2ccc(/N=C\c3ccccc3[O-])cc2s1 ZINC000104213450 563983550 /nfs/dbraw/zinc/98/35/50/563983550.db2.gz SFMBWKWAPIJOAS-UNOMPAQXSA-N -1 3 342.489 5.645 40 30 EKEBHM CC(C)CSc1nc2ccc(/N=C\c3ccccc3[O-])cc2s1 ZINC000104213456 219362341 /nfs/dbraw/zinc/36/23/41/219362341.db2.gz JZPGURKWXUBQLP-GRSHGNNSSA-N -1 3 342.489 5.501 40 30 EKEBHM [O-]c1ccccc1/C=N\c1ccc2c(ccc3c4ccccc4ccc23)c1 ZINC000104220493 219362306 /nfs/dbraw/zinc/36/23/06/219362306.db2.gz KAPIDDRGFDXDOV-QQXSKIMKSA-N -1 3 347.417 6.602 40 30 EKEBHM CC/C(=N/[O-])c1ccc2cc(Br)c3ccccc3c2c1 ZINC000104249354 219365279 /nfs/dbraw/zinc/36/52/79/219365279.db2.gz XGZRVOLTGCVKOT-ZPHPHTNESA-N -1 3 328.209 5.344 40 30 EKEBHM CCCCCCCCCCCCCCCc1cc([O-])ccc1N=O ZINC000104251970 563983554 /nfs/dbraw/zinc/98/35/54/563983554.db2.gz AGUUICCLWAPXEB-UHFFFAOYSA-N -1 3 333.516 7.424 40 30 EKEBHM Cc1ccc(C(C)C)c(O)c1/N=C/c1cc(Br)ccc1[O-] ZINC000104372145 204107354 /nfs/dbraw/zinc/10/73/54/204107354.db2.gz MSASHQFQKVQVFT-DJKKODMXSA-N -1 3 348.240 5.043 40 30 EKEBHM Cc1cccc(/C=N\c2ccccc2/N=C\c2cccc(C)c2O)c1[O-] ZINC000104373703 204108379 /nfs/dbraw/zinc/10/83/79/204108379.db2.gz DNVUYVBRNCWGAK-GACBQCINSA-N -1 3 344.414 5.216 40 30 EKEBHM [O-]/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000110425392 220034852 /nfs/dbraw/zinc/03/48/52/220034852.db2.gz CFRAKHMKYRWUSO-WSVATBPTSA-N -1 3 330.598 5.034 40 30 EKEBHM C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc([O-])cc3)cc21 ZINC000198083938 241035753 /nfs/dbraw/zinc/03/57/53/241035753.db2.gz VYSJSSMGOKNOLJ-UMYHVIPVSA-N -1 3 342.870 5.518 40 30 EKEBHM C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc([O-])cc3)cc21 ZINC000198083947 241036165 /nfs/dbraw/zinc/03/61/65/241036165.db2.gz VYSJSSMGOKNOLJ-AEOXGOBCSA-N -1 3 342.870 5.518 40 30 EKEBHM CCN1c2cc(C)c(/C=N/c3ccc([O-])cc3)cc2[C@H](C)CC1(C)C ZINC000198100681 564130076 /nfs/dbraw/zinc/13/00/76/564130076.db2.gz IDDMCQZVLOBGHQ-BRABVMKYSA-N -1 3 336.479 5.563 40 30 EKEBHM CCN1c2cc(C)c(/C=N/c3ccc([O-])cc3)cc2[C@@H](C)CC1(C)C ZINC000198100692 535785151 /nfs/dbraw/zinc/78/51/51/535785151.db2.gz IDDMCQZVLOBGHQ-YQCVNYCESA-N -1 3 336.479 5.563 40 30 EKEBHM CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc([O-])cc3)cc21 ZINC000198150750 241037231 /nfs/dbraw/zinc/03/72/31/241037231.db2.gz AELSBUKQYCEUQX-WSDLNYQXSA-N -1 3 340.854 5.428 40 30 EKEBHM CCN1c2cc(C)c(/C=N/c3ccc([O-])cc3)cc2C(C)=CC1(C)C ZINC000198160441 535784980 /nfs/dbraw/zinc/78/49/80/535784980.db2.gz SQUIWBKVYBTOOT-OEAKJJBVSA-N -1 3 334.463 5.473 40 30 EKEBHM [O-]/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000216811595 241212833 /nfs/dbraw/zinc/21/28/33/241212833.db2.gz JPSOPAAFFKYZRA-WSVATBPTSA-N -1 3 330.598 5.034 40 30 EKEBHM [O-]/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000216848738 241214887 /nfs/dbraw/zinc/21/48/87/241214887.db2.gz NNNUELREXSCESX-CNHKJKLMSA-N -1 3 330.598 5.034 40 30 EKEBHM [O-]/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000216848781 241216199 /nfs/dbraw/zinc/21/61/99/241216199.db2.gz UTBBZZSPMLWLJT-CNHKJKLMSA-N -1 3 330.598 5.034 40 30 EKEBHM [O-]/N=C/c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Cl)c1 ZINC000216849034 241216395 /nfs/dbraw/zinc/21/63/95/241216395.db2.gz RPFUYGCITVSKPL-KPSZGOFPSA-N -1 3 348.588 5.173 40 30 EKEBHM [O-]/N=C\c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000216852386 241215497 /nfs/dbraw/zinc/21/54/97/241215497.db2.gz IMMRWCYTYVZQRY-FBHDLOMBSA-N -1 3 346.213 5.534 40 30 EKEBHM C[C@@]12C[C@H]3C[C@@H](C1)C[C@](C/N=C/c1c([O-])ccc4ccccc41)(C3)C2 ZINC000217557237 241259093 /nfs/dbraw/zinc/25/90/93/241259093.db2.gz FHOMMXBZDRGRMN-JCUJMBSESA-N -1 3 333.475 5.571 40 30 EKEBHM [O-]c1ccc2ccccc2c1/C=N/C[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)CC2 ZINC000217765751 241274647 /nfs/dbraw/zinc/27/46/47/241274647.db2.gz TYPJGUKCUWMYMK-WBPXPEFYSA-N -1 3 333.475 5.571 40 30 EKEBHM CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/c3ccc([O-])cc3)cc21 ZINC000223476699 241656760 /nfs/dbraw/zinc/65/67/60/241656760.db2.gz XXBQOPWFXSSNGV-OEAKJJBVSA-N -1 3 334.463 5.553 40 30 EKEBHM CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\c3ccccc3[O-])cc21 ZINC000223495219 564040255 /nfs/dbraw/zinc/04/02/55/564040255.db2.gz IZIOUZYEJDRYRH-UCQKPKSFSA-N -1 3 334.463 5.553 40 30 EKEBHM CCN1c2cc(C)c(/C=N\c3ccccc3[O-])cc2C(C)=CC1(C)C ZINC000223500104 564040249 /nfs/dbraw/zinc/04/02/49/564040249.db2.gz ZUUHOQIJTCKIBJ-UCQKPKSFSA-N -1 3 334.463 5.473 40 30 EKEBHM Cc1cc2c(cc1/C=N/c1ccc([O-])cc1)C(C)=CC(C)(C)N2C(C)C ZINC000223503002 564040286 /nfs/dbraw/zinc/04/02/86/564040286.db2.gz JDEYEPGVNODTJN-ZVHZXABRSA-N -1 3 348.490 5.862 40 30 EKEBHM Cc1cc2c(cc1/C=N\c1ccccc1[O-])C(C)=CC(C)(C)N2C(C)C ZINC000223520460 564040291 /nfs/dbraw/zinc/04/02/91/564040291.db2.gz XFZGKWPNMXUQEM-OYKKKHCWSA-N -1 3 348.490 5.862 40 30 EKEBHM CC(C)N1c2ccc(/C=N/c3ccc([O-])cc3)cc2[C@@H](C)CC1(C)C ZINC000223544061 564040333 /nfs/dbraw/zinc/04/03/33/564040333.db2.gz FIEVAPMUTGJVHN-YQCVNYCESA-N -1 3 336.479 5.643 40 30 EKEBHM CC(C)N1c2ccc(/C=N\c3ccccc3[O-])cc2[C@@H](C)CC1(C)C ZINC000223567416 564040371 /nfs/dbraw/zinc/04/03/71/564040371.db2.gz BCTJOVKHBKRMDC-ZGWJWYQGSA-N -1 3 336.479 5.643 40 30 EKEBHM CCN1c2cc(C)c(/C=N\c3ccccc3[O-])cc2[C@@H](C)CC1(C)C ZINC000223586126 564040388 /nfs/dbraw/zinc/04/03/88/564040388.db2.gz JDFOLMGGHHBLSU-ZGWJWYQGSA-N -1 3 336.479 5.563 40 30 EKEBHM C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\c3ccccc3[O-])cc21 ZINC000223620568 564040462 /nfs/dbraw/zinc/04/04/62/564040462.db2.gz KZKPFFJXPRYPKS-IKTNTUJMSA-N -1 3 342.870 5.518 40 30 EKEBHM C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\c3ccccc3[O-])cc21 ZINC000223620622 564040486 /nfs/dbraw/zinc/04/04/86/564040486.db2.gz KZKPFFJXPRYPKS-QGNWGPJTSA-N -1 3 342.870 5.518 40 30 EKEBHM [O-]/N=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000253566058 564132199 /nfs/dbraw/zinc/13/21/99/564132199.db2.gz IMMRWCYTYVZQRY-UFFVCSGVSA-N -1 3 346.213 5.534 40 30 EKEBHM [O-]/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000253567001 564132195 /nfs/dbraw/zinc/13/21/95/564132195.db2.gz JPSOPAAFFKYZRA-CNHKJKLMSA-N -1 3 330.598 5.034 40 30 EKEBHM [O-]c1ccc2ccccc2c1C=Nc1cccc(Br)c1 ZINC000254391090 564132243 /nfs/dbraw/zinc/13/22/43/564132243.db2.gz IFCQGLWWMCKCFN-UHFFFAOYSA-N -1 3 326.193 5.059 40 30 EKEBHM [O-]c1ccc2ccccc2c1C=Nc1ccc(Oc2ccccc2)cc1 ZINC000254510709 564132277 /nfs/dbraw/zinc/13/22/77/564132277.db2.gz HPHAMBOJMRZCFU-UHFFFAOYSA-N -1 3 339.394 6.088 40 30 EKEBHM CC(C)N1c2ccc(/C=N\c3ccccc3[O-])cc2[C@H](C)CC1(C)C ZINC000260562668 564132533 /nfs/dbraw/zinc/13/25/33/564132533.db2.gz BCTJOVKHBKRMDC-GMPVXANTSA-N -1 3 336.479 5.643 40 30 EKEBHM CC(C)N1c2ccc(/C=N/c3ccc([O-])cc3)cc2[C@H](C)CC1(C)C ZINC000260563056 564132552 /nfs/dbraw/zinc/13/25/52/564132552.db2.gz FIEVAPMUTGJVHN-BRABVMKYSA-N -1 3 336.479 5.643 40 30 EKEBHM CCN1c2cc(C)c(/C=N\c3ccccc3[O-])cc2[C@H](C)CC1(C)C ZINC000260565588 564132529 /nfs/dbraw/zinc/13/25/29/564132529.db2.gz JDFOLMGGHHBLSU-GMPVXANTSA-N -1 3 336.479 5.563 40 30 EKEBHM [O-]c1c(C=Nc2ccc(Oc3ccccc3)cc2)ccc2ccccc21 ZINC000260840566 564132596 /nfs/dbraw/zinc/13/25/96/564132596.db2.gz FBDYQLDIFTXMEX-UHFFFAOYSA-N -1 3 339.394 6.088 40 30 EKEBHM [O-]c1c(C=Nc2ccc(Br)cc2)ccc2ccccc12 ZINC000260840578 564132562 /nfs/dbraw/zinc/13/25/62/564132562.db2.gz GHNSLMGYVKZPQV-UHFFFAOYSA-N -1 3 326.193 5.059 40 30 EKEBHM [O-]c1c(C=Nc2cccc(Br)c2)ccc2ccccc12 ZINC000260840618 564132574 /nfs/dbraw/zinc/13/25/74/564132574.db2.gz NFTVASZWBBPDGV-UHFFFAOYSA-N -1 3 326.193 5.059 40 30 EKEBHM CCCCCCCCOc1c(Cl)cc(/C=N\[O-])cc1OCC ZINC000408539608 563862787 /nfs/dbraw/zinc/86/27/87/563862787.db2.gz IQAHFMDHQWTNEK-UYRXBGFRSA-N -1 3 327.852 5.286 40 30 EKEBHM COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccccc3[O-])c2c1 ZINC000408782353 564007237 /nfs/dbraw/zinc/00/72/37/564007237.db2.gz HUQQOVZMAKKQHD-OEAKJJBVSA-N -1 3 342.398 5.300 40 30 EKEBHM COc1ccc2[nH]c(-c3ccccc3)c(/C=N\c3ccc([O-])cc3)c2c1 ZINC000408782783 563883669 /nfs/dbraw/zinc/88/36/69/563883669.db2.gz YZWYEUINGHIPLP-UCQKPKSFSA-N -1 3 342.398 5.300 40 30 EKEBHM COc1cccc2c(/C=N\c3ccc([O-])cc3)c(-c3ccccc3)[nH]c21 ZINC000408830691 257888156 /nfs/dbraw/zinc/88/81/56/257888156.db2.gz OCQPZUPJYUUJKD-UCQKPKSFSA-N -1 3 342.398 5.300 40 30 EKEBHM COc1cccc2c(/C=N/c3ccccc3[O-])c(-c3ccccc3)[nH]c21 ZINC000408843980 563896282 /nfs/dbraw/zinc/89/62/82/563896282.db2.gz SYDFJXBITUHXQR-OEAKJJBVSA-N -1 3 342.398 5.300 40 30 EKEBHM CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccccc2[O-])c1C ZINC000408959534 517852173 /nfs/dbraw/zinc/85/21/73/517852173.db2.gz APICASRIBQLHBO-UCQKPKSFSA-N -1 3 332.447 5.421 40 30 EKEBHM Cc1cc(/C=N/c2ccc([O-])cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966959 564008429 /nfs/dbraw/zinc/00/84/29/564008429.db2.gz OGNRPGJRDFTDQB-BUVRLJJBSA-N -1 3 346.474 5.848 40 30 EKEBHM Cc1cc(/C=N/c2ccc([O-])cc2)c(C)n1-c1ccc2ncccc2c1 ZINC000408967494 564008421 /nfs/dbraw/zinc/00/84/21/564008421.db2.gz SOGQKGRUSAIATP-ZVHZXABRSA-N -1 3 341.414 5.099 40 30 EKEBHM Cc1cc(/C=N\c2ccccc2[O-])c(C)n1-c1ccc2ncccc2c1 ZINC000408967551 563918134 /nfs/dbraw/zinc/91/81/34/563918134.db2.gz UBSNXCGPAXVIFC-OYKKKHCWSA-N -1 3 341.414 5.099 40 30 EKEBHM Cc1cc(/C=N\c2ccccc2[O-])c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967840 563918249 /nfs/dbraw/zinc/91/82/49/563918249.db2.gz SJJBKAZUAJZQTN-IWIPYMOSSA-N -1 3 346.474 5.848 40 30 EKEBHM [O-]c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1 ZINC000409023620 564009034 /nfs/dbraw/zinc/00/90/34/564009034.db2.gz IZBYEIIVVFEYTC-YBFXNURJSA-N -1 3 345.876 6.009 40 30 EKEBHM [O-]c1ccccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409023940 563932622 /nfs/dbraw/zinc/93/26/22/563932622.db2.gz NXLUKLDNDPTBDT-ODLFYWEKSA-N -1 3 345.876 6.009 40 30 EKEBHM [O-]/N=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409045357 257881851 /nfs/dbraw/zinc/88/18/51/257881851.db2.gz GMGHIGIWHWOIJM-CNHKJKLMSA-N -1 3 330.598 5.034 40 30 EKEBHM [O-]c1c(/C=N/c2ccccc2Oc2ccccc2)ccc2ccccc21 ZINC000409053602 257881349 /nfs/dbraw/zinc/88/13/49/257881349.db2.gz GLQFUNZUDSNIKL-LFVJCYFKSA-N -1 3 339.394 6.088 40 30 EKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccccc1Oc1ccccc1 ZINC000409072782 563940831 /nfs/dbraw/zinc/94/08/31/563940831.db2.gz SKVFKZDICRAOPZ-LFVJCYFKSA-N -1 3 339.394 6.088 40 30 EKEBHM [O-]c1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 ZINC000409076799 564009464 /nfs/dbraw/zinc/00/94/64/564009464.db2.gz CHRZIAYKYNBGPR-ZVHZXABRSA-N -1 3 347.458 5.316 40 30 EKEBHM [O-]c1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=NNc1ccccc1 ZINC000409076995 563942716 /nfs/dbraw/zinc/94/27/16/563942716.db2.gz CEEVZMGFBAJJGB-IWIPYMOSSA-N -1 3 346.474 5.306 40 30 EKEBHM [O-]c1ccccc1/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000409078427 563944933 /nfs/dbraw/zinc/94/49/33/563944933.db2.gz CSYKQOPPBAVRGR-OYKKKHCWSA-N -1 3 347.458 5.316 40 30 EKEBHM CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc([O-])cc3)sc2C1 ZINC000409080894 563945358 /nfs/dbraw/zinc/94/53/58/563945358.db2.gz OIUUHZIBNUPIDK-LVCXCXRVSA-N -1 3 338.476 5.227 40 30 EKEBHM CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc([O-])cc3)sc2C1 ZINC000409080896 564009510 /nfs/dbraw/zinc/00/95/10/564009510.db2.gz OIUUHZIBNUPIDK-OFJBCHTGSA-N -1 3 338.476 5.227 40 30 EKEBHM [O-]c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000409094983 257879834 /nfs/dbraw/zinc/87/98/34/257879834.db2.gz GQOVFQWGWKLNOR-FYJGNVAPSA-N -1 3 339.847 5.947 40 30 EKEBHM [O-]c1ccccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409098226 563947739 /nfs/dbraw/zinc/94/77/39/563947739.db2.gz KLWGCLDWHSTPOZ-BKUYFWCQSA-N -1 3 339.847 5.947 40 30 EKEBHM [O-]c1c(/C=N/c2ccc(Nc3ccccc3)cc2)ccc2ccccc21 ZINC000409182096 563970419 /nfs/dbraw/zinc/97/04/19/563970419.db2.gz IUHQQQNUTRIZBU-LFVJCYFKSA-N -1 3 338.410 6.040 40 30 EKEBHM [O-]c1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409242669 257873450 /nfs/dbraw/zinc/87/34/50/257873450.db2.gz SCLVJZYIFVOJSH-OYKKKHCWSA-N -1 3 344.389 5.285 40 30 EKEBHM [O-]c1ccccc1/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409244784 564011293 /nfs/dbraw/zinc/01/12/93/564011293.db2.gz IRAFFBCZBZXFPU-ZVHZXABRSA-N -1 3 344.389 5.285 40 30 EKEBHM [O-]c1cccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 ZINC000409246174 563973278 /nfs/dbraw/zinc/97/32/78/563973278.db2.gz FZWIXYUMRQFEJO-ZVHZXABRSA-N -1 3 344.389 5.285 40 30 EKEBHM O=C(C1=C([O-])C(=Cc2ccccc2Cl)CCCC1)C(F)(F)F ZINC000409359156 563975063 /nfs/dbraw/zinc/97/50/63/563975063.db2.gz WHHWMOFTMISJAE-HTQMBMLDSA-N -1 3 330.733 5.241 40 30 EKEBHM