smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=NNC(=O)[C@H](C)C[NH+]1CCCCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948747 609275434 /nfs/dbraw/zinc/27/54/34/609275434.db2.gz WBBFNQVSORFIGY-CYBMUJFWSA-N 0 3 387.463 2.358 20 50 GEGDHN CC(=NNC(=O)[C@H](C)C[NH+]1CCCCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948747 609275435 /nfs/dbraw/zinc/27/54/35/609275435.db2.gz WBBFNQVSORFIGY-CYBMUJFWSA-N 0 3 387.463 2.358 20 50 GEGDHN Cc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(OCC[NH+](C)C)c1 ZINC000826290806 608813512 /nfs/dbraw/zinc/81/35/12/608813512.db2.gz AOTSTUOVCSJJSN-UHFFFAOYSA-N 0 3 396.455 2.264 20 50 GEGDHN CN(C)Cc1c2ccccc2oc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825870427 607350383 /nfs/dbraw/zinc/35/03/83/607350383.db2.gz MADBVVMQVKLILK-UHFFFAOYSA-N 0 3 377.408 2.431 20 50 GEGDHN CC(=NNC(=O)[C@@H](C)C[NH+]1CCCCCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948411 609157489 /nfs/dbraw/zinc/15/74/89/609157489.db2.gz LHEPYTPSAKVEAC-ZDUSSCGKSA-N 0 3 387.463 2.358 20 50 GEGDHN CC(=NNC(=O)[C@@H](C)C[NH+]1CCCCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948411 609157491 /nfs/dbraw/zinc/15/74/91/609157491.db2.gz LHEPYTPSAKVEAC-ZDUSSCGKSA-N 0 3 387.463 2.358 20 50 GEGDHN CC(=NNC(=O)[C@H](C)C[NH+]1CCC(C)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948288 609275455 /nfs/dbraw/zinc/27/54/55/609275455.db2.gz JLUCUZDXNDXRDA-CYBMUJFWSA-N 0 3 387.463 2.214 20 50 GEGDHN CC(=NNC(=O)[C@H](C)C[NH+]1CCC(C)CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948288 609275456 /nfs/dbraw/zinc/27/54/56/609275456.db2.gz JLUCUZDXNDXRDA-CYBMUJFWSA-N 0 3 387.463 2.214 20 50 GEGDHN CC[NH+](CC)CCOc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825412074 607349358 /nfs/dbraw/zinc/34/93/58/607349358.db2.gz JHUPZXKVJJHCGY-UHFFFAOYSA-N 0 3 395.467 2.344 20 50 GEGDHN CC[NH+](CC)CCOc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825413233 607726172 /nfs/dbraw/zinc/72/61/72/607726172.db2.gz YTAHIVBYXRYYLE-UHFFFAOYSA-N 0 3 395.467 2.344 20 50 GEGDHN CC[NH+](CC)CCOc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825413233 607726174 /nfs/dbraw/zinc/72/61/74/607726174.db2.gz YTAHIVBYXRYYLE-UHFFFAOYSA-N 0 3 395.467 2.344 20 50 GEGDHN CC(=NNC(=O)[C@@H](C)C[NH+]1CCCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948675 608094477 /nfs/dbraw/zinc/09/44/77/608094477.db2.gz UHHTVZXEWDJNPK-LBPRGKRZSA-N 0 3 375.502 2.281 20 50 GEGDHN C[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824498619 609317591 /nfs/dbraw/zinc/31/75/91/609317591.db2.gz IYTAFLKMWAWCEX-UKRRQHHQSA-N 0 3 384.488 2.146 20 50 GEGDHN C[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824498619 609317592 /nfs/dbraw/zinc/31/75/92/609317592.db2.gz IYTAFLKMWAWCEX-UKRRQHHQSA-N 0 3 384.488 2.146 20 50 GEGDHN C[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824498619 609317594 /nfs/dbraw/zinc/31/75/94/609317594.db2.gz IYTAFLKMWAWCEX-UKRRQHHQSA-N 0 3 384.488 2.146 20 50 GEGDHN C[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824498619 609317596 /nfs/dbraw/zinc/31/75/96/609317596.db2.gz IYTAFLKMWAWCEX-UKRRQHHQSA-N 0 3 384.488 2.146 20 50 GEGDHN C[NH+](C)CCCOc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825866457 608811633 /nfs/dbraw/zinc/81/16/33/608811633.db2.gz YNZXDCCUFUOQSX-UHFFFAOYSA-N 0 3 396.455 2.346 20 50 GEGDHN C[NH+](C)CCCOc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825866457 608811635 /nfs/dbraw/zinc/81/16/35/608811635.db2.gz YNZXDCCUFUOQSX-UHFFFAOYSA-N 0 3 396.455 2.346 20 50 GEGDHN O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826448209 607725176 /nfs/dbraw/zinc/72/51/76/607725176.db2.gz MAEBQEISVGQLPI-KRWDZBQOSA-N 0 3 377.452 2.222 20 50 GEGDHN O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000826448209 607725178 /nfs/dbraw/zinc/72/51/78/607725178.db2.gz MAEBQEISVGQLPI-KRWDZBQOSA-N 0 3 377.452 2.222 20 50 GEGDHN O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826448209 607725180 /nfs/dbraw/zinc/72/51/80/607725180.db2.gz MAEBQEISVGQLPI-KRWDZBQOSA-N 0 3 377.452 2.222 20 50 GEGDHN O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000826448209 607725182 /nfs/dbraw/zinc/72/51/82/607725182.db2.gz MAEBQEISVGQLPI-KRWDZBQOSA-N 0 3 377.452 2.222 20 50 GEGDHN O=C(NNc1cccc(-c2nn[n-]n2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000826448513 607718160 /nfs/dbraw/zinc/71/81/60/607718160.db2.gz YJDQYSASZZXEEW-UHFFFAOYSA-N 0 3 377.452 2.222 20 50 GEGDHN C[C@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824498620 609317891 /nfs/dbraw/zinc/31/78/91/609317891.db2.gz IYTAFLKMWAWCEX-ZFWWWQNUSA-N 0 3 384.488 2.146 20 50 GEGDHN C[C@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824498620 609317894 /nfs/dbraw/zinc/31/78/94/609317894.db2.gz IYTAFLKMWAWCEX-ZFWWWQNUSA-N 0 3 384.488 2.146 20 50 GEGDHN C[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824498620 609317895 /nfs/dbraw/zinc/31/78/95/609317895.db2.gz IYTAFLKMWAWCEX-ZFWWWQNUSA-N 0 3 384.488 2.146 20 50 GEGDHN C[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824498620 609317897 /nfs/dbraw/zinc/31/78/97/609317897.db2.gz IYTAFLKMWAWCEX-ZFWWWQNUSA-N 0 3 384.488 2.146 20 50 GEGDHN CC(=NNC(=O)[C@@H](C)C[NH+]1CCC(C)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948418 608094282 /nfs/dbraw/zinc/09/42/82/608094282.db2.gz LOGXAUTYHWXASX-LBPRGKRZSA-N 0 3 375.502 2.136 20 50 GEGDHN CC(=NNC(=O)[C@H](C)C[NH+]1CCCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948670 608094322 /nfs/dbraw/zinc/09/43/22/608094322.db2.gz UHHTVZXEWDJNPK-GFCCVEGCSA-N 0 3 375.502 2.281 20 50 GEGDHN CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823954099 609515816 /nfs/dbraw/zinc/51/58/16/609515816.db2.gz YZZJFNBHBMWMCA-LJQANCHMSA-N 0 3 389.463 2.495 20 50 GEGDHN CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823954099 609515817 /nfs/dbraw/zinc/51/58/17/609515817.db2.gz YZZJFNBHBMWMCA-LJQANCHMSA-N 0 3 389.463 2.495 20 50 GEGDHN CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823954099 609515818 /nfs/dbraw/zinc/51/58/18/609515818.db2.gz YZZJFNBHBMWMCA-LJQANCHMSA-N 0 3 389.463 2.495 20 50 GEGDHN CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823954099 609515819 /nfs/dbraw/zinc/51/58/19/609515819.db2.gz YZZJFNBHBMWMCA-LJQANCHMSA-N 0 3 389.463 2.495 20 50 GEGDHN CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823948243 609516254 /nfs/dbraw/zinc/51/62/54/609516254.db2.gz IPUQBAIAJUMLEO-LJQANCHMSA-N 0 3 389.463 2.495 20 50 GEGDHN CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823948243 609516257 /nfs/dbraw/zinc/51/62/57/609516257.db2.gz IPUQBAIAJUMLEO-LJQANCHMSA-N 0 3 389.463 2.495 20 50 GEGDHN CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823948243 609516261 /nfs/dbraw/zinc/51/62/61/609516261.db2.gz IPUQBAIAJUMLEO-LJQANCHMSA-N 0 3 389.463 2.495 20 50 GEGDHN CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823948243 609516263 /nfs/dbraw/zinc/51/62/63/609516263.db2.gz IPUQBAIAJUMLEO-LJQANCHMSA-N 0 3 389.463 2.495 20 50 GEGDHN O=C(NNc1cc[nH+]cc1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826449836 609172919 /nfs/dbraw/zinc/17/29/19/609172919.db2.gz LRWUFINTVKXIDV-UHFFFAOYSA-N 0 3 391.366 2.372 20 50 GEGDHN CC(=NNC(=O)[C@H](C)C[NH+]1CCCCCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948410 609157272 /nfs/dbraw/zinc/15/72/72/609157272.db2.gz LHEPYTPSAKVEAC-CYBMUJFWSA-N 0 3 387.463 2.358 20 50 GEGDHN CC(=NNC(=O)[C@H](C)C[NH+]1CCCCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948410 609157274 /nfs/dbraw/zinc/15/72/74/609157274.db2.gz LHEPYTPSAKVEAC-CYBMUJFWSA-N 0 3 387.463 2.358 20 50 GEGDHN CC(=NNC(=O)[C@H](C)C[NH+]1CCC(C)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948389 609157421 /nfs/dbraw/zinc/15/74/21/609157421.db2.gz KOBVOOSEPGZJCY-CYBMUJFWSA-N 0 3 387.463 2.214 20 50 GEGDHN CC(=NNC(=O)[C@H](C)C[NH+]1CCC(C)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948389 609157422 /nfs/dbraw/zinc/15/74/22/609157422.db2.gz KOBVOOSEPGZJCY-CYBMUJFWSA-N 0 3 387.463 2.214 20 50 GEGDHN CC(=NNC(=O)[C@@H](C)C[NH+]1CCC(C)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948390 609157257 /nfs/dbraw/zinc/15/72/57/609157257.db2.gz KOBVOOSEPGZJCY-ZDUSSCGKSA-N 0 3 387.463 2.214 20 50 GEGDHN CC(=NNC(=O)[C@@H](C)C[NH+]1CCC(C)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948390 609157259 /nfs/dbraw/zinc/15/72/59/609157259.db2.gz KOBVOOSEPGZJCY-ZDUSSCGKSA-N 0 3 387.463 2.214 20 50 GEGDHN C[C@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824498617 609317613 /nfs/dbraw/zinc/31/76/13/609317613.db2.gz IYTAFLKMWAWCEX-DZGCQCFKSA-N 0 3 384.488 2.146 20 50 GEGDHN C[C@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824498617 609317615 /nfs/dbraw/zinc/31/76/15/609317615.db2.gz IYTAFLKMWAWCEX-DZGCQCFKSA-N 0 3 384.488 2.146 20 50 GEGDHN C[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824498617 609317617 /nfs/dbraw/zinc/31/76/17/609317617.db2.gz IYTAFLKMWAWCEX-DZGCQCFKSA-N 0 3 384.488 2.146 20 50 GEGDHN C[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824498617 609317619 /nfs/dbraw/zinc/31/76/19/609317619.db2.gz IYTAFLKMWAWCEX-DZGCQCFKSA-N 0 3 384.488 2.146 20 50 GEGDHN O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826448210 607725363 /nfs/dbraw/zinc/72/53/63/607725363.db2.gz MAEBQEISVGQLPI-QGZVFWFLSA-N 0 3 377.452 2.222 20 50 GEGDHN O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000826448210 607725365 /nfs/dbraw/zinc/72/53/65/607725365.db2.gz MAEBQEISVGQLPI-QGZVFWFLSA-N 0 3 377.452 2.222 20 50 GEGDHN O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826448210 607725367 /nfs/dbraw/zinc/72/53/67/607725367.db2.gz MAEBQEISVGQLPI-QGZVFWFLSA-N 0 3 377.452 2.222 20 50 GEGDHN O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000826448210 607725369 /nfs/dbraw/zinc/72/53/69/607725369.db2.gz MAEBQEISVGQLPI-QGZVFWFLSA-N 0 3 377.452 2.222 20 50 GEGDHN CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823948242 609515866 /nfs/dbraw/zinc/51/58/66/609515866.db2.gz IPUQBAIAJUMLEO-IBGZPJMESA-N 0 3 389.463 2.495 20 50 GEGDHN CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823948242 609515867 /nfs/dbraw/zinc/51/58/67/609515867.db2.gz IPUQBAIAJUMLEO-IBGZPJMESA-N 0 3 389.463 2.495 20 50 GEGDHN CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823948242 609515868 /nfs/dbraw/zinc/51/58/68/609515868.db2.gz IPUQBAIAJUMLEO-IBGZPJMESA-N 0 3 389.463 2.495 20 50 GEGDHN CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823948242 609515869 /nfs/dbraw/zinc/51/58/69/609515869.db2.gz IPUQBAIAJUMLEO-IBGZPJMESA-N 0 3 389.463 2.495 20 50 GEGDHN O=C(NNc1cccc(-c2nnn[n-]2)c1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000823281014 606198999 /nfs/dbraw/zinc/19/89/99/606198999.db2.gz LSNVJQJIZIJGEA-UHFFFAOYSA-N 0 3 384.488 2.290 20 50 GEGDHN O=C(NNc1cccc(-c2nn[n-]n2)c1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000823281014 606199001 /nfs/dbraw/zinc/19/90/01/606199001.db2.gz LSNVJQJIZIJGEA-UHFFFAOYSA-N 0 3 384.488 2.290 20 50 GEGDHN CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823954098 609516477 /nfs/dbraw/zinc/51/64/77/609516477.db2.gz YZZJFNBHBMWMCA-IBGZPJMESA-N 0 3 389.463 2.495 20 50 GEGDHN CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823954098 609516480 /nfs/dbraw/zinc/51/64/80/609516480.db2.gz YZZJFNBHBMWMCA-IBGZPJMESA-N 0 3 389.463 2.495 20 50 GEGDHN CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823954098 609516483 /nfs/dbraw/zinc/51/64/83/609516483.db2.gz YZZJFNBHBMWMCA-IBGZPJMESA-N 0 3 389.463 2.495 20 50 GEGDHN CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823954098 609516485 /nfs/dbraw/zinc/51/64/85/609516485.db2.gz YZZJFNBHBMWMCA-IBGZPJMESA-N 0 3 389.463 2.495 20 50 GEGDHN CC(C)[NH+]1CCC(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000824296244 607394383 /nfs/dbraw/zinc/39/43/83/607394383.db2.gz FTSHZORBMBNXEQ-UHFFFAOYSA-N 0 3 397.405 2.449 20 50 GEGDHN CC(C)[NH+]1CCC(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000824296244 607394385 /nfs/dbraw/zinc/39/43/85/607394385.db2.gz FTSHZORBMBNXEQ-UHFFFAOYSA-N 0 3 397.405 2.449 20 50 GEGDHN CC(=NNC(=O)[C@@H](C)C[NH+]1CCCCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948748 609275446 /nfs/dbraw/zinc/27/54/46/609275446.db2.gz WBBFNQVSORFIGY-ZDUSSCGKSA-N 0 3 387.463 2.358 20 50 GEGDHN CC(=NNC(=O)[C@@H](C)C[NH+]1CCCCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948748 609275447 /nfs/dbraw/zinc/27/54/47/609275447.db2.gz WBBFNQVSORFIGY-ZDUSSCGKSA-N 0 3 387.463 2.358 20 50 GEGDHN CCCC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000825282772 607921549 /nfs/dbraw/zinc/92/15/49/607921549.db2.gz ZRUWQRZHBPRCDG-UHFFFAOYSA-N 0 3 399.499 2.063 20 50 GEGDHN CCCC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000825282772 607921550 /nfs/dbraw/zinc/92/15/50/607921550.db2.gz ZRUWQRZHBPRCDG-UHFFFAOYSA-N 0 3 399.499 2.063 20 50 GEGDHN O=C(NNc1cccc(-c2nnn[n-]2)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000823280962 606163504 /nfs/dbraw/zinc/16/35/04/606163504.db2.gz JYGFPLOMDJKHNY-UHFFFAOYSA-N 0 3 384.488 2.290 20 50 GEGDHN O=C(NNc1cccc(-c2nn[n-]n2)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000823280962 606163505 /nfs/dbraw/zinc/16/35/05/606163505.db2.gz JYGFPLOMDJKHNY-UHFFFAOYSA-N 0 3 384.488 2.290 20 50 GEGDHN C[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824498618 609317846 /nfs/dbraw/zinc/31/78/46/609317846.db2.gz IYTAFLKMWAWCEX-HIFRSBDPSA-N 0 3 384.488 2.146 20 50 GEGDHN C[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824498618 609317847 /nfs/dbraw/zinc/31/78/47/609317847.db2.gz IYTAFLKMWAWCEX-HIFRSBDPSA-N 0 3 384.488 2.146 20 50 GEGDHN C[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824498618 609317848 /nfs/dbraw/zinc/31/78/48/609317848.db2.gz IYTAFLKMWAWCEX-HIFRSBDPSA-N 0 3 384.488 2.146 20 50 GEGDHN C[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824498618 609317849 /nfs/dbraw/zinc/31/78/49/609317849.db2.gz IYTAFLKMWAWCEX-HIFRSBDPSA-N 0 3 384.488 2.146 20 50 GEGDHN CC(=NNC(=O)[C@H](C)C[NH+]1CCC(C)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948417 608094307 /nfs/dbraw/zinc/09/43/07/608094307.db2.gz LOGXAUTYHWXASX-GFCCVEGCSA-N 0 3 375.502 2.136 20 50 GEGDHN CC(=NNC(=O)[C@@H](C)C[NH+]1CCC(C)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948290 609275336 /nfs/dbraw/zinc/27/53/36/609275336.db2.gz JLUCUZDXNDXRDA-ZDUSSCGKSA-N 0 3 387.463 2.214 20 50 GEGDHN CC(=NNC(=O)[C@@H](C)C[NH+]1CCC(C)CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948290 609275337 /nfs/dbraw/zinc/27/53/37/609275337.db2.gz JLUCUZDXNDXRDA-ZDUSSCGKSA-N 0 3 387.463 2.214 20 50 GEGDHN