smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(/[NH+]=C/C2=C3N(CCC2)c2ccccc2C3(C)C)c1 ZINC000000055619 209392869 /nfs/dbraw/zinc/39/28/69/209392869.db2.gz SXMTVXJSFQFYLH-HZHRSRAPSA-N 1 2 332.447 5.243 50 30 EKEALO C(=[NH+]/Cc1ccccc1)\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000000176787 518376645 /nfs/dbraw/zinc/37/66/45/518376645.db2.gz XSZFGZMXKLQXND-PXLXIMEGSA-N 1 2 343.455 5.220 50 30 EKEALO C(=[NH+]/Cc1ccccc1)\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000238001 563989075 /nfs/dbraw/zinc/98/90/75/563989075.db2.gz GFHCICQYWYWORY-JJIBRWJFSA-N 1 2 337.426 5.158 50 30 EKEALO C=CCn1c2ccccc2n2cc(-c3ccc(-c4ccccc4)cc3)[nH+]c21 ZINC000000499602 209636314 /nfs/dbraw/zinc/63/63/14/209636314.db2.gz YGJCDDKFBRKRDU-UHFFFAOYSA-N 1 2 349.437 5.809 50 30 EKEALO Cc1[nH+]c2cc(/N=C/c3cccs3)ccc2n1Cc1ccccc1 ZINC000000535341 564022102 /nfs/dbraw/zinc/02/21/02/564022102.db2.gz FIODOGRTKJYQAS-FYJGNVAPSA-N 1 2 331.444 5.205 50 30 EKEALO CCCCCCCn1c2ccccc2[nH+]c1NCc1ccccc1O ZINC000001789167 209794682 /nfs/dbraw/zinc/79/46/82/209794682.db2.gz FQDFQYVFOVBOBV-UHFFFAOYSA-N 1 2 337.467 5.324 50 30 EKEALO CCCCCCCNc1c2ccccc2[nH+]c2c1C(=O)CC(C)(C)C2 ZINC000002066264 563420789 /nfs/dbraw/zinc/42/07/89/563420789.db2.gz YUJBGCQKKLQSEG-UHFFFAOYSA-N 1 2 338.495 5.772 50 30 EKEALO CC(=O)Nc1ccc(/[NH+]=C/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000002067259 563420969 /nfs/dbraw/zinc/42/09/69/563420969.db2.gz IQDOQQVMDNAQIW-VXCFCLNRSA-N 1 2 333.218 5.368 50 30 EKEALO Cc1cc(/C=N/c2ccc(C)cc2C)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000002268884 563428129 /nfs/dbraw/zinc/42/81/29/563428129.db2.gz OVZXOTSRNFUXMV-BUVRLJJBSA-N 1 2 345.490 5.528 50 30 EKEALO COc1ccc(NC(=[NH+]C(C)(C)C)SCc2ccccc2)cc1 ZINC000002768754 563450173 /nfs/dbraw/zinc/45/01/73/563450173.db2.gz UOCZSPFMBPXAFI-UHFFFAOYSA-N 1 2 328.481 5.004 50 30 EKEALO Cc1ccc(-n2nc3ccc(/[NH+]=C/C=C/c4ccccc4)cc3n2)cc1 ZINC000003024826 209953701 /nfs/dbraw/zinc/95/37/01/209953701.db2.gz UVNJPGUGMPKZCU-NJXDKVMSSA-N 1 2 338.414 5.145 50 30 EKEALO Clc1ccc(N/C=[NH+]/c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000003086203 564076110 /nfs/dbraw/zinc/07/61/10/564076110.db2.gz YOCJXLMFXFMEFF-UHFFFAOYSA-N 1 2 334.033 6.072 50 30 EKEALO Cc1ccc2c(c1)-c1nc3c(C)cccc3cc1/C2=[NH+]\C1CCCCC1 ZINC000003112095 564155205 /nfs/dbraw/zinc/15/52/05/564155205.db2.gz GIPBGZIMNFSCLN-BZZOAKBMSA-N 1 2 340.470 6.002 50 30 EKEALO CN1c2ccccc2C(C)(C)/C1=C\C=[NH+]\c1cccc2ccccc21 ZINC000003194858 209976866 /nfs/dbraw/zinc/97/68/66/209976866.db2.gz TTZMOVMXSIIASU-JJOJRSAGSA-N 1 2 326.443 5.854 50 30 EKEALO CCCCCCCCn1c2ccccc2[nH+]c1NCc1cccs1 ZINC000003643126 210070771 /nfs/dbraw/zinc/07/07/71/210070771.db2.gz OQQJHPFXKKBQPF-UHFFFAOYSA-N 1 2 341.524 6.070 50 30 EKEALO Oc1cc2ccccc2cc1/C(Nc1ccccc1)=[NH+]\c1ccccc1 ZINC000003658852 564159282 /nfs/dbraw/zinc/15/92/82/564159282.db2.gz WJUBUZLRCVNOIT-UHFFFAOYSA-N 1 2 338.410 5.736 50 30 EKEALO Clc1cc(Cl)cc(N/C=[NH+]/c2cc(Cl)cc(Cl)c2)c1 ZINC000004323025 210170093 /nfs/dbraw/zinc/17/00/93/210170093.db2.gz PYNWASBQTXFRAI-UHFFFAOYSA-N 1 2 334.033 6.072 50 30 EKEALO CN(C)c1ccc(C=[NH+]Nc2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000004364001 210180417 /nfs/dbraw/zinc/18/04/17/210180417.db2.gz LHOPWQCIMYGYIU-DJKKODMXSA-N 1 2 342.657 5.159 50 30 EKEALO C[C@H](/[NH+]=C/c1c(O)ccc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000004750780 210270397 /nfs/dbraw/zinc/27/03/97/210270397.db2.gz RNZUDPKMBBZDPS-XZYWMSRZSA-N 1 2 333.475 5.569 50 30 EKEALO C[C@@H](/[NH+]=C/c1c(O)ccc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000004750781 563973143 /nfs/dbraw/zinc/97/31/43/563973143.db2.gz RNZUDPKMBBZDPS-VNSUDANBSA-N 1 2 333.475 5.569 50 30 EKEALO C(=C/c1ccccc1)\C=N\c1ccc(/[NH+]=C/C=C/c2ccccc2)cc1 ZINC000004775384 210275307 /nfs/dbraw/zinc/27/53/07/210275307.db2.gz WUURTKBHJVQPTP-YVLAXRKASA-N 1 2 336.438 6.518 50 30 EKEALO CN(C)c1ccc(C=[NH+]Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000004992034 563517879 /nfs/dbraw/zinc/51/78/79/563517879.db2.gz ATLSVEJAWPDLNJ-DJKKODMXSA-N 1 2 342.657 5.159 50 30 EKEALO O=C1c2ccccc2S/C1=C\c1c2ccccc2[nH+]c2ccccc21 ZINC000005016751 563519051 /nfs/dbraw/zinc/51/90/51/563519051.db2.gz RQAXHCNCZCILSB-BKUYFWCQSA-N 1 2 339.419 5.718 50 30 EKEALO O=C1c2ccccc2S/C1=C/c1c2ccccc2[nH+]c2ccccc21 ZINC000005338575 563527566 /nfs/dbraw/zinc/52/75/66/563527566.db2.gz RQAXHCNCZCILSB-FYJGNVAPSA-N 1 2 339.419 5.718 50 30 EKEALO FC(F)Oc1ccccc1/C=[NH+]/CCC12CC3CC(CC(C3)C1)C2 ZINC000005445222 564005986 /nfs/dbraw/zinc/00/59/86/564005986.db2.gz XEJMNJSJCJDMDJ-YDZHTSKRSA-N 1 2 333.422 5.313 50 30 EKEALO Cc1ccccc1N=C1NC(=[NH+]c2ccccc2C)c2ccccc21 ZINC000006079606 563558707 /nfs/dbraw/zinc/55/87/07/563558707.db2.gz GLRLYVKHSBPQTR-UHFFFAOYSA-N 1 2 325.415 5.254 50 30 EKEALO COc1ccc(/[NH+]=C/C=C/c2ccc(Cl)cc2Cl)cc1Cl ZINC000006995685 563593106 /nfs/dbraw/zinc/59/31/06/563593106.db2.gz QDBJCHQOEXCLBR-JUZSNXDQSA-N 1 2 340.637 6.071 50 30 EKEALO CCCCCCCCC(=O)Nc1c(C)c(CC)[nH+]c2ccccc21 ZINC000008397686 563629384 /nfs/dbraw/zinc/62/93/84/563629384.db2.gz SXZNSJPLMOVRDF-UHFFFAOYSA-N 1 2 326.484 5.795 50 30 EKEALO CCCCCCCCCCCn1c2ccccc2[nH+]c1CCCO ZINC000008440023 262520316 /nfs/dbraw/zinc/52/03/16/262520316.db2.gz UVQIZRNVGPIGHV-UHFFFAOYSA-N 1 2 330.516 5.492 50 30 EKEALO Cc1cc2c(c(C)c1)-c1nc3ccccc3cc1/C2=[NH+]\C1CCCCC1 ZINC000013301408 563694275 /nfs/dbraw/zinc/69/42/75/563694275.db2.gz DFOKRQCVEPUGJD-BZZOAKBMSA-N 1 2 340.470 6.002 50 30 EKEALO Clc1ccc(C(=CC=[NH+]c2ccccc2)Nc2ccccc2)cc1 ZINC000013466804 563698790 /nfs/dbraw/zinc/69/87/90/563698790.db2.gz TWVMXPVGCXFORD-YYRRSDCCSA-N 1 2 332.834 6.087 50 30 EKEALO Cc1cc2c(cc1C)/C(=[NH+]/C1CCCCC1)c1cc3ccccc3nc1-2 ZINC000013511793 563926663 /nfs/dbraw/zinc/92/66/63/563926663.db2.gz ZPZFSFCFBASIQK-BZZOAKBMSA-N 1 2 340.470 6.002 50 30 EKEALO C=CCc1cccc(CNc2[nH+]c3ccccc3n2CCCCC)c1O ZINC000013661278 536296651 /nfs/dbraw/zinc/29/66/51/536296651.db2.gz ZCKHMWBNXATSKZ-UHFFFAOYSA-N 1 2 349.478 5.273 50 30 EKEALO COc1ccc(CSC(Nc2ccccc2)=[NH+]C(C)(C)C)cc1 ZINC000015931823 563800398 /nfs/dbraw/zinc/80/03/98/563800398.db2.gz CTYLGCXWYULTBU-UHFFFAOYSA-N 1 2 328.481 5.004 50 30 EKEALO Cc1ccc2c(c1)/C(=[NH+]/C1CCCCC1)c1cc3ccccc3nc1-2 ZINC000015979623 563801524 /nfs/dbraw/zinc/80/15/24/563801524.db2.gz VXAWNYJOYYDGBG-VHXPQNKSSA-N 1 2 326.443 5.694 50 30 EKEALO Cc1ccc2c(c1)-c1nc3ccccc3cc1/C2=[NH+]\C1CCCCC1 ZINC000015989467 563801561 /nfs/dbraw/zinc/80/15/61/563801561.db2.gz YFJHKTJYZYSPQI-GYHWCHFESA-N 1 2 326.443 5.694 50 30 EKEALO CCN1c2ccccc2N(c2ccccc2)/C1=C\C=[NH+]\c1ccccc1 ZINC000016102008 563803648 /nfs/dbraw/zinc/80/36/48/563803648.db2.gz QECRDNRKWBIEHL-QFFDILLMSA-N 1 2 339.442 5.909 50 30 EKEALO Cc1ccc(C23C[C@H]4C[C@H](CC(C/[NH+]=C/c5cccs5)(C4)C2)C3)cc1 ZINC000017041177 563829769 /nfs/dbraw/zinc/82/97/69/563829769.db2.gz KPTAPSCVHQTHLI-LIXHNCIOSA-N 1 2 349.543 6.014 50 30 EKEALO Cc1ccc(/C=C2\C[NH+](C(C)C)C/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC000020115437 212103247 /nfs/dbraw/zinc/10/32/47/212103247.db2.gz LUBIJDGXPCHDAS-MSKUYSOUSA-N 1 2 345.486 5.064 50 30 EKEALO C[NH+]=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1 ZINC000020404800 212125398 /nfs/dbraw/zinc/12/53/98/212125398.db2.gz FLBXMTKZLLTQRY-UHFFFAOYSA-N 1 2 348.060 5.598 50 30 EKEALO CC1(C)CC(=CC=[NH+]c2ccccc2)C=C(C=CNc2ccccc2)C1 ZINC000044672318 563926523 /nfs/dbraw/zinc/92/65/23/563926523.db2.gz JTEKENXRFZWTRU-LMEGWDGOSA-N 1 2 342.486 6.688 50 30 EKEALO Cc1ccc(C[NH+]=C2Nc3ccccc3NC23CCCCCC3)cc1 ZINC000046153012 563362354 /nfs/dbraw/zinc/36/23/54/563362354.db2.gz DTSIKZLCJTXIJF-UHFFFAOYSA-N 1 2 333.479 5.524 50 30 EKEALO Cc1ccccc1C[NH+]=C1Nc2ccccc2NC12CCCCCC2 ZINC000046153018 563362371 /nfs/dbraw/zinc/36/23/71/563362371.db2.gz ZRUJBQNEOLHUEY-UHFFFAOYSA-N 1 2 333.479 5.524 50 30 EKEALO Fc1ccc(C[NH+]=C2Nc3ccccc3NC23CCCCCC3)cc1 ZINC000046153021 563362323 /nfs/dbraw/zinc/36/23/23/563362323.db2.gz UWMBJKGVKFMMQO-UHFFFAOYSA-N 1 2 337.442 5.355 50 30 EKEALO Cc1cccc(C[NH+]=C2Nc3ccccc3NC23CCCCCC3)c1 ZINC000046153036 563362348 /nfs/dbraw/zinc/36/23/48/563362348.db2.gz KJUHAAXEGDTGPW-UHFFFAOYSA-N 1 2 333.479 5.524 50 30 EKEALO Fc1cccc(C[NH+]=C2Nc3ccccc3NC23CCCCCC3)c1 ZINC000046153042 563362306 /nfs/dbraw/zinc/36/23/06/563362306.db2.gz CNQNHXXKVYPMRO-UHFFFAOYSA-N 1 2 337.442 5.355 50 30 EKEALO COc1cccc(C[NH+]=C2Nc3ccccc3NC23CCCCCC3)c1 ZINC000046153045 563362365 /nfs/dbraw/zinc/36/23/65/563362365.db2.gz FXWQYOWJTHTYEN-UHFFFAOYSA-N 1 2 349.478 5.224 50 30 EKEALO C=C(C)Cn1c(CCCCCCCCCCC)[nH+]c2ccccc21 ZINC000050704861 563991923 /nfs/dbraw/zinc/99/19/23/563991923.db2.gz VCUUNPSRLDGBJG-UHFFFAOYSA-N 1 2 326.528 6.686 50 30 EKEALO CCCCCCCCCC(=O)Nc1cc(N(C)C)[nH+]c2ccccc12 ZINC000097949432 568415434 /nfs/dbraw/zinc/41/54/34/568415434.db2.gz HTMLTJVZAKTDCV-UHFFFAOYSA-N 1 2 341.499 5.380 50 30 EKEALO CCCCCCC[C@@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000097966124 563982106 /nfs/dbraw/zinc/98/21/06/563982106.db2.gz XGOHLQCHAGLKHP-GPXNEJASSA-N 1 2 349.518 6.008 50 30 EKEALO CCCCCCC[C@@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000097966126 563982099 /nfs/dbraw/zinc/98/20/99/563982099.db2.gz XGOHLQCHAGLKHP-AOHZBQACSA-N 1 2 349.518 6.008 50 30 EKEALO Cc1ccc2cc3c(nc2c1)-c1ccccc1/C3=[NH+]/C1CCCCC1 ZINC000100044213 219088937 /nfs/dbraw/zinc/08/89/37/219088937.db2.gz ZIIRBUUNZBYCQV-GYHWCHFESA-N 1 2 326.443 5.694 50 30 EKEALO CCCCCCCCCCCCCCCc1[nH]c2ccccc2[nH+]1 ZINC000100069865 258068715 /nfs/dbraw/zinc/06/87/15/258068715.db2.gz ZXJQADBOFUIAFL-UHFFFAOYSA-N 1 2 328.544 7.197 50 30 EKEALO CCCCCCCCNc1ccc([NH2+]CCCCCCCC)cc1 ZINC000100089988 219090806 /nfs/dbraw/zinc/09/08/06/219090806.db2.gz DFNXHHNFURNWAF-UHFFFAOYSA-N 1 2 332.576 7.231 50 30 EKEALO CC12C[C@H]3C[C@@H](C1)CC(C/[NH+]=C/c1c(O)ccc4ccccc41)(C3)C2 ZINC000100100042 219091703 /nfs/dbraw/zinc/09/17/03/219091703.db2.gz FHOMMXBZDRGRMN-RKLVHNIUSA-N 1 2 333.475 5.571 50 30 EKEALO CCCCCCCCCCCCCCCC[NH+]1C=CC(=CN=O)C=C1 ZINC000100480733 563992601 /nfs/dbraw/zinc/99/26/01/563992601.db2.gz AUFXLGAHNYXCPW-UHFFFAOYSA-N 1 2 346.559 7.461 50 30 EKEALO Cc1ccc2c(c1)-c1nc3ccccc3cc1/C2=[NH+]/C1CCCCC1 ZINC000100612556 206252962 /nfs/dbraw/zinc/25/29/62/206252962.db2.gz YFJHKTJYZYSPQI-ZNTNEXAZSA-N 1 2 326.443 5.694 50 30 EKEALO Cc1cc2c(cc1C)/C(=[NH+]\C1CCCCC1)c1cc3ccccc3nc1-2 ZINC000100674360 219104166 /nfs/dbraw/zinc/10/41/66/219104166.db2.gz ZPZFSFCFBASIQK-WJTDDFOZSA-N 1 2 340.470 6.002 50 30 EKEALO Cc1ccccc1/N=C1\c2ccccc2/C(=[NH+]\c2ccccc2C)N1C ZINC000100705862 219105299 /nfs/dbraw/zinc/10/52/99/219105299.db2.gz VEXAFTXAMHVGTD-BQASJOSNSA-N 1 2 339.442 5.405 50 30 EKEALO Cc1ccccc1/[NH+]=C1\c2ccccc2/C(=[NH+]\c2ccccc2C)N1C ZINC000100705862 219105298 /nfs/dbraw/zinc/10/52/98/219105298.db2.gz VEXAFTXAMHVGTD-BQASJOSNSA-N 1 2 339.442 5.405 50 30 EKEALO CCCCCCCCCCCc1[nH+]c2ccccc2n1CCCC ZINC000100850424 564016959 /nfs/dbraw/zinc/01/69/59/564016959.db2.gz DICGSBUPWPTIRI-UHFFFAOYSA-N 1 2 328.544 6.910 50 30 EKEALO Clc1ccc(-c2[nH+]c(/C=N/c3ccccc3)c3ccccn32)cc1 ZINC000100859338 206259504 /nfs/dbraw/zinc/25/95/04/206259504.db2.gz QWEZQWLXQLOFQN-HYARGMPZSA-N 1 2 331.806 5.405 50 30 EKEALO CCCCCCCCCCn1c2ccccc2[nH+]c1CCCCC ZINC000100863888 219110189 /nfs/dbraw/zinc/11/01/89/219110189.db2.gz XFXFQTHAFGRIOT-UHFFFAOYSA-N 1 2 328.544 6.910 50 30 EKEALO CCCCCCC[C@@H]1C(=O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000100870695 219110008 /nfs/dbraw/zinc/11/00/08/219110008.db2.gz XGOHLQCHAGLKHP-CQOQZXRMSA-N 1 2 349.518 6.008 50 30 EKEALO Oc1ccc2ccccc2c1/C=[NH+]/CC12C[C@@H]3CC(C[C@@H](C3)C1)CC2 ZINC000100920792 219111612 /nfs/dbraw/zinc/11/16/12/219111612.db2.gz TYPJGUKCUWMYMK-XKINHMTFSA-N 1 2 333.475 5.571 50 30 EKEALO Clc1ccc(/C=N/CCCC/[NH+]=C/c2ccc(Cl)cc2)cc1 ZINC000100969233 219112987 /nfs/dbraw/zinc/11/29/87/219112987.db2.gz CWGFYCFZQFABTB-JFMUQQRKSA-N 1 2 333.262 5.312 50 30 EKEALO CCCCCCCCCCc1[nH+]c2ccccc2n1CCCCC ZINC000101433880 219127141 /nfs/dbraw/zinc/12/71/41/219127141.db2.gz VDDVXQHMESXKHC-UHFFFAOYSA-N 1 2 328.544 6.910 50 30 EKEALO CCCCCCCC/C=C/CCCCCCCOC(=O)C[NH2+]C ZINC000102320485 219194639 /nfs/dbraw/zinc/19/46/39/219194639.db2.gz IKVPZTWLWKWXLG-ZHACJKMWSA-N 1 2 325.537 5.396 50 30 EKEALO Cc1ccc2c(c1)/C(=[NH+]\C1CCCCC1)c1cc3cccc(C)c3nc1-2 ZINC000103541591 564022732 /nfs/dbraw/zinc/02/27/32/564022732.db2.gz SVSYXHITPXTFIS-OCOZRVBESA-N 1 2 340.470 6.002 50 30 EKEALO O=[N+]([O-])c1ccc(/C=C/C=[NH+]/c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000103613712 219317346 /nfs/dbraw/zinc/31/73/46/219317346.db2.gz HAOLKLICEFOBQW-OEFJELFNSA-N 1 2 340.382 5.582 50 30 EKEALO Clc1ccc(/C=N\CCCC/[NH+]=C\c2ccc(Cl)cc2)cc1 ZINC000103906626 564023339 /nfs/dbraw/zinc/02/33/39/564023339.db2.gz CWGFYCFZQFABTB-JZTLMNBPSA-N 1 2 333.262 5.312 50 30 EKEALO CC(N=Nc1ccccc1)=C(Cc1ccccc1)[NH2+]Nc1ccccc1 ZINC000108991081 564130126 /nfs/dbraw/zinc/13/01/26/564130126.db2.gz RDRVERKLPLIPSG-GVNZNIICSA-N 1 2 342.446 5.185 50 30 EKEALO CCCCCCCCCCCCCCC[NH+]1C=CC(=CN=O)C=C1 ZINC000136294396 564125573 /nfs/dbraw/zinc/12/55/73/564125573.db2.gz AWLGOKIBNAOLEP-UHFFFAOYSA-N 1 2 332.532 7.071 50 30 EKEALO Cc1cc([NH+]=C2CCCN2c2cccc(Cl)c2)c2ccccc2n1 ZINC000252594036 564121078 /nfs/dbraw/zinc/12/10/78/564121078.db2.gz BORYWMHAUCEUEO-UHFFFAOYSA-N 1 2 335.838 5.527 50 30 EKEALO O=[N+]([O-])c1ccc(/C=C/C=[NH+]c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000252607327 564121315 /nfs/dbraw/zinc/12/13/15/564121315.db2.gz HAOLKLICEFOBQW-MUBIYNESSA-N 1 2 340.382 5.582 50 30 EKEALO O=[N+]([O-])c1ccc(/C=C\C=[NH+]c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000252607328 564121311 /nfs/dbraw/zinc/12/13/11/564121311.db2.gz HAOLKLICEFOBQW-WUUNHUPKSA-N 1 2 340.382 5.582 50 30 EKEALO CC(=O)Nc1ccc([NH+]=C/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000252612203 564121853 /nfs/dbraw/zinc/12/18/53/564121853.db2.gz IQDOQQVMDNAQIW-AXUYBOFJSA-N 1 2 333.218 5.368 50 30 EKEALO CC(=O)Nc1ccc([NH+]=C/C=C\c2ccc(Cl)cc2Cl)cc1 ZINC000252612204 564121835 /nfs/dbraw/zinc/12/18/35/564121835.db2.gz IQDOQQVMDNAQIW-XVLOTLFPSA-N 1 2 333.218 5.368 50 30 EKEALO O=[N+]([O-])c1ccc(/C=C/C=[NH+]c2ccc(Nc3ccccc3)cc2)cc1 ZINC000252613496 564121957 /nfs/dbraw/zinc/12/19/57/564121957.db2.gz JCKLEQZPIDGMBP-CQMDYEAZSA-N 1 2 343.386 5.754 50 30 EKEALO O=[N+]([O-])c1ccc(/C=C\C=[NH+]c2ccc(Nc3ccccc3)cc2)cc1 ZINC000252613498 564121944 /nfs/dbraw/zinc/12/19/44/564121944.db2.gz JCKLEQZPIDGMBP-ZELSNSKJSA-N 1 2 343.386 5.754 50 30 EKEALO Clc1ccc(/C=C\C=[NH+]c2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000252614433 564122042 /nfs/dbraw/zinc/12/20/42/564122042.db2.gz JJFJRBWIAZDHRC-MQYHRXMWSA-N 1 2 334.202 5.180 50 30 EKEALO Clc1ccc(/C=C/C=[NH+]c2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000252614434 564122031 /nfs/dbraw/zinc/12/20/31/564122031.db2.gz JJFJRBWIAZDHRC-TULCCGIASA-N 1 2 334.202 5.180 50 30 EKEALO COc1ccc([NH+]=C/C=C\c2ccc(Cl)cc2Cl)cc1Cl ZINC000252625093 564123187 /nfs/dbraw/zinc/12/31/87/564123187.db2.gz QDBJCHQOEXCLBR-SAAZBQNISA-N 1 2 340.637 6.071 50 30 EKEALO COc1ccc([NH+]=C/C=C/c2ccc(Cl)cc2Cl)cc1Cl ZINC000252625094 564123183 /nfs/dbraw/zinc/12/31/83/564123183.db2.gz QDBJCHQOEXCLBR-VCXYJUHQSA-N 1 2 340.637 6.071 50 30 EKEALO CN1c2ccccc2C(C)(C)/C1=C\C=[NH+]c1cccc2ccccc21 ZINC000252628891 564123506 /nfs/dbraw/zinc/12/35/06/564123506.db2.gz TTZMOVMXSIIASU-HTTCRTGESA-N 1 2 326.443 5.854 50 30 EKEALO CN1c2ccccc2C(C)(C)/C1=C/C=[NH+]c1cccc2ccccc21 ZINC000252628892 564123499 /nfs/dbraw/zinc/12/34/99/564123499.db2.gz TTZMOVMXSIIASU-ULJAACLHSA-N 1 2 326.443 5.854 50 30 EKEALO Cc1ccc(-n2nc3ccc([NH+]=C/C=C/c4ccccc4)cc3n2)cc1 ZINC000252630141 564123562 /nfs/dbraw/zinc/12/35/62/564123562.db2.gz UVNJPGUGMPKZCU-IPJUHICJSA-N 1 2 338.414 5.145 50 30 EKEALO Cc1ccc(-n2nc3ccc([NH+]=C/C=C\c4ccccc4)cc3n2)cc1 ZINC000252630142 564123573 /nfs/dbraw/zinc/12/35/73/564123573.db2.gz UVNJPGUGMPKZCU-KCJIAACBSA-N 1 2 338.414 5.145 50 30 EKEALO CCN1c2ccccc2S/C1=C\C=C\C=C/C=[NH+]c1ccc(C)cc1 ZINC000334157631 521730925 /nfs/dbraw/zinc/73/09/25/521730925.db2.gz WGCLQTPIGNFXLN-HZHNSECJSA-N 1 2 346.499 6.283 50 30 EKEALO CCOc1ccc([NH+]=C/C=C/C=C2/C=Cc3ccccc3N2C)cc1 ZINC000409415886 563976115 /nfs/dbraw/zinc/97/61/15/563976115.db2.gz BIDSKIQXFJAHMF-ANHUVNEGSA-N 1 2 330.431 5.391 50 30 EKEALO CCOc1ccc([NH+]=C/C=C/C=C2\C=Cc3ccccc3N2C)cc1 ZINC000409415887 563976108 /nfs/dbraw/zinc/97/61/08/563976108.db2.gz BIDSKIQXFJAHMF-ONTFJJNTSA-N 1 2 330.431 5.391 50 30 EKEALO CN1c2ccccc2C=C/C1=C\C=C\C=[NH+]c1cccc2ccccc21 ZINC000409415888 563976126 /nfs/dbraw/zinc/97/61/26/563976126.db2.gz DNQCIQAVKRGCEA-DBGHPRNGSA-N 1 2 336.438 6.145 50 30 EKEALO CN1c2ccccc2C=C/C1=C\C=C/C=[NH+]c1cccc2ccccc21 ZINC000409415889 563976123 /nfs/dbraw/zinc/97/61/23/563976123.db2.gz DNQCIQAVKRGCEA-GEEHEUORSA-N 1 2 336.438 6.145 50 30 EKEALO CN1c2ccccc2C=C/C1=C\C=C\C=[NH+]c1ccc2ccccc2c1 ZINC000409415896 563976141 /nfs/dbraw/zinc/97/61/41/563976141.db2.gz IXPQPESCRPTHKT-GAZCRDPESA-N 1 2 336.438 6.145 50 30 EKEALO CN1c2ccccc2C=C/C1=C\C=C/C=[NH+]c1ccc2ccccc2c1 ZINC000409415897 563976136 /nfs/dbraw/zinc/97/61/36/563976136.db2.gz IXPQPESCRPTHKT-MKKUJURGSA-N 1 2 336.438 6.145 50 30 EKEALO