smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCCN(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000159795296 206264086 /nfs/dbraw/zinc/26/40/86/206264086.db2.gz UMDHDPYTTOODGI-QGZVFWFLSA-N 2 1 348.491 2.462 20 70 EEIDMP C[C@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+]1CCCCCC1 ZINC000160302356 311352563 /nfs/dbraw/zinc/35/25/63/311352563.db2.gz CSQTWCZKIBNLRP-QGZVFWFLSA-N 2 1 339.524 2.068 20 70 EEIDMP CCCC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC1 ZINC000160992672 311360961 /nfs/dbraw/zinc/36/09/61/311360961.db2.gz BQAPIOUMERYRFE-QGZVFWFLSA-N 2 1 341.565 2.394 20 70 EEIDMP CCCC[NH+](C)CC1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000160992672 311360962 /nfs/dbraw/zinc/36/09/62/311360962.db2.gz BQAPIOUMERYRFE-QGZVFWFLSA-N 2 1 341.565 2.394 20 70 EEIDMP CCCC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000160992672 311360965 /nfs/dbraw/zinc/36/09/65/311360965.db2.gz BQAPIOUMERYRFE-QGZVFWFLSA-N 2 1 341.565 2.394 20 70 EEIDMP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160639394 463357585 /nfs/dbraw/zinc/35/75/85/463357585.db2.gz VGOQUGRAKBBCEB-LJQANCHMSA-N 2 1 344.503 2.244 20 70 EEIDMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160642958 463358891 /nfs/dbraw/zinc/35/88/91/463358891.db2.gz RAITVKMFRDLWQU-MSOLQXFVSA-N 2 1 334.508 2.131 20 70 EEIDMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000159805546 527984121 /nfs/dbraw/zinc/98/41/21/527984121.db2.gz BWYVNVIPXAWLEO-QGZVFWFLSA-N 2 1 326.529 2.336 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000159844856 206267328 /nfs/dbraw/zinc/26/73/28/206267328.db2.gz MMNOEDDHJWIKQF-QGZVFWFLSA-N 2 1 332.492 2.244 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000159844856 206267332 /nfs/dbraw/zinc/26/73/32/206267332.db2.gz MMNOEDDHJWIKQF-QGZVFWFLSA-N 2 1 332.492 2.244 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000159844856 206267338 /nfs/dbraw/zinc/26/73/38/206267338.db2.gz MMNOEDDHJWIKQF-QGZVFWFLSA-N 2 1 332.492 2.244 20 70 EEIDMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000161488592 206351759 /nfs/dbraw/zinc/35/17/59/206351759.db2.gz DEVPXKQSDQBHDK-CYBMUJFWSA-N 2 1 325.478 2.193 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000160029337 463315795 /nfs/dbraw/zinc/31/57/95/463315795.db2.gz HDXQYHZAZVDSFX-PKOBYXMFSA-N 2 1 344.503 2.244 20 70 EEIDMP CC[NH+]1CCCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000160029337 463315796 /nfs/dbraw/zinc/31/57/96/463315796.db2.gz HDXQYHZAZVDSFX-PKOBYXMFSA-N 2 1 344.503 2.244 20 70 EEIDMP CC[NH+]1CCCN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000160029337 463315800 /nfs/dbraw/zinc/31/58/00/463315800.db2.gz HDXQYHZAZVDSFX-PKOBYXMFSA-N 2 1 344.503 2.244 20 70 EEIDMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cnn(C)c1 ZINC000160424291 206296407 /nfs/dbraw/zinc/29/64/07/206296407.db2.gz GXCXIJQLGSTDMH-LJQANCHMSA-N 2 1 328.460 2.493 20 70 EEIDMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@@H+](CC)CC1)c1ccco1 ZINC000159774722 206261952 /nfs/dbraw/zinc/26/19/52/206261952.db2.gz DJJABWASJWPCGR-MRXNPFEDSA-N 2 1 336.480 2.400 20 70 EEIDMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000160359649 311353657 /nfs/dbraw/zinc/35/36/57/311353657.db2.gz VUYLQANBVSXIGS-IEBWSBKVSA-N 2 1 344.503 2.387 20 70 EEIDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000161009894 463390301 /nfs/dbraw/zinc/39/03/01/463390301.db2.gz PXTGUDNJYXMHCD-QZTJIDSGSA-N 2 1 338.540 2.480 20 70 EEIDMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000161009894 463390308 /nfs/dbraw/zinc/39/03/08/463390308.db2.gz PXTGUDNJYXMHCD-QZTJIDSGSA-N 2 1 338.540 2.480 20 70 EEIDMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000161009894 463390313 /nfs/dbraw/zinc/39/03/13/463390313.db2.gz PXTGUDNJYXMHCD-QZTJIDSGSA-N 2 1 338.540 2.480 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000159735920 285210126 /nfs/dbraw/zinc/21/01/26/285210126.db2.gz ZDOSEBSVWKVBTR-IRXDYDNUSA-N 2 1 338.540 2.480 20 70 EEIDMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160642819 463357292 /nfs/dbraw/zinc/35/72/92/463357292.db2.gz RAITVKMFRDLWQU-QZTJIDSGSA-N 2 1 334.508 2.131 20 70 EEIDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000159854800 225291308 /nfs/dbraw/zinc/29/13/08/225291308.db2.gz SNHFYRMQKSWOAM-UHFFFAOYSA-N 2 1 347.503 2.179 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NCCC[NH+]2CCc3ccccc3C2)CC1 ZINC000159626915 529024287 /nfs/dbraw/zinc/02/42/87/529024287.db2.gz GHHAZEIWTGLKLI-UHFFFAOYSA-N 2 1 344.503 2.172 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000159626915 529024292 /nfs/dbraw/zinc/02/42/92/529024292.db2.gz GHHAZEIWTGLKLI-UHFFFAOYSA-N 2 1 344.503 2.172 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000159626915 529024299 /nfs/dbraw/zinc/02/42/99/529024299.db2.gz GHHAZEIWTGLKLI-UHFFFAOYSA-N 2 1 344.503 2.172 20 70 EEIDMP CC[NH+](CC)CCNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000161483416 311366573 /nfs/dbraw/zinc/36/65/73/311366573.db2.gz VOQIXFDGDTYSJX-SJLPKXTDSA-N 2 1 332.492 2.290 20 70 EEIDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)[C@H]2CCOC2)CC1 ZINC000160341682 529149928 /nfs/dbraw/zinc/14/99/28/529149928.db2.gz NRBXQURQSRTNIZ-XLIONFOSSA-N 2 1 331.504 2.339 20 70 EEIDMP Cc1noc(C)c1[C@@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000160438707 539522162 /nfs/dbraw/zinc/52/21/62/539522162.db2.gz AKIBBDZNQCHJEN-CXAGYDPISA-N 2 1 344.459 2.361 20 70 EEIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-n2cncn2)cc1 ZINC000160759135 463368153 /nfs/dbraw/zinc/36/81/53/463368153.db2.gz CBJYHIGFOFSUNV-QFBILLFUSA-N 2 1 343.475 2.155 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000159535224 529025501 /nfs/dbraw/zinc/02/55/01/529025501.db2.gz GASCVIUKSAPBIG-KRWDZBQOSA-N 2 1 336.455 2.166 20 70 EEIDMP Cc1noc(C)c1[C@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000160438851 539522129 /nfs/dbraw/zinc/52/21/29/539522129.db2.gz AKIBBDZNQCHJEN-SUMWQHHRSA-N 2 1 344.459 2.361 20 70 EEIDMP CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000159746274 463302605 /nfs/dbraw/zinc/30/26/05/463302605.db2.gz NZYUAXRKQOPNHV-QXAKKESOSA-N 2 1 344.503 2.290 20 70 EEIDMP CC[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159746274 463302612 /nfs/dbraw/zinc/30/26/12/463302612.db2.gz NZYUAXRKQOPNHV-QXAKKESOSA-N 2 1 344.503 2.290 20 70 EEIDMP CC[C@H](CSC)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160255196 463325928 /nfs/dbraw/zinc/32/59/28/463325928.db2.gz DAFSASVFDCCMKW-SJORKVTESA-N 2 1 337.533 2.479 20 70 EEIDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)[C@H](C)C1 ZINC000161169286 463406501 /nfs/dbraw/zinc/40/65/01/463406501.db2.gz FQDPGQRFYTVVGF-UTKZUKDTSA-N 3 1 345.531 2.463 20 70 EEIDMP CC[N@@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCC(O)CC2)[C@H](C)C1 ZINC000161169286 463406505 /nfs/dbraw/zinc/40/65/05/463406505.db2.gz FQDPGQRFYTVVGF-UTKZUKDTSA-N 2 1 345.531 2.463 20 70 EEIDMP CC[N@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCC(O)CC2)[C@H](C)C1 ZINC000161169286 463406510 /nfs/dbraw/zinc/40/65/10/463406510.db2.gz FQDPGQRFYTVVGF-UTKZUKDTSA-N 2 1 345.531 2.463 20 70 EEIDMP C[C@H]1C[C@H](NC(=O)N(C)CC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000160359524 311353688 /nfs/dbraw/zinc/35/36/88/311353688.db2.gz VUYLQANBVSXIGS-HKUYNNGSSA-N 2 1 344.503 2.387 20 70 EEIDMP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000160442191 311354360 /nfs/dbraw/zinc/35/43/60/311354360.db2.gz RYKONLADWAXLJQ-KRWDZBQOSA-N 2 1 336.524 2.234 20 70 EEIDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)CC1 ZINC000159826621 311346983 /nfs/dbraw/zinc/34/69/83/311346983.db2.gz LCALEJCRYQKRMZ-GOSISDBHSA-N 2 1 330.476 2.127 20 70 EEIDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)CC1 ZINC000159826621 311346985 /nfs/dbraw/zinc/34/69/85/311346985.db2.gz LCALEJCRYQKRMZ-GOSISDBHSA-N 2 1 330.476 2.127 20 70 EEIDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C)cn3)CC2)CC1 ZINC000160120477 463320398 /nfs/dbraw/zinc/32/03/98/463320398.db2.gz JUSWLWGSVQKYNE-UHFFFAOYSA-N 2 1 344.503 2.156 20 70 EEIDMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCCc4sccc43)cn2)CC1 ZINC000160966309 277114672 /nfs/dbraw/zinc/11/46/72/277114672.db2.gz KYZUHPQQJFSOKG-MRXNPFEDSA-N 2 1 343.500 2.457 20 70 EEIDMP C[NH+](Cc1ccccc1C[N@@H+](C)C[C@H](O)C1CC1)C[C@H](O)C1CC1 ZINC000160746284 539523254 /nfs/dbraw/zinc/52/32/54/539523254.db2.gz SJDOPSXQMFAFHP-PMACEKPBSA-N 2 1 332.488 2.092 20 70 EEIDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](COC)C2CC2)CC1 ZINC000160365717 463331753 /nfs/dbraw/zinc/33/17/53/463331753.db2.gz JFVFNHGSJUZQSG-HXUWFJFHSA-N 2 1 331.504 2.339 20 70 EEIDMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000160787907 463371291 /nfs/dbraw/zinc/37/12/91/463371291.db2.gz QMSYONGCTXLYLZ-MRXNPFEDSA-N 2 1 334.508 2.273 20 70 EEIDMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[NH+](CC)CC2)c1 ZINC000159780842 527842227 /nfs/dbraw/zinc/84/22/27/527842227.db2.gz FXGGJELXSMGJMM-UHFFFAOYSA-N 2 1 332.492 2.376 20 70 EEIDMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@H+](CC)CC2)c1 ZINC000159780842 527842232 /nfs/dbraw/zinc/84/22/32/527842232.db2.gz FXGGJELXSMGJMM-UHFFFAOYSA-N 2 1 332.492 2.376 20 70 EEIDMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@@H+](CC)CC2)c1 ZINC000159780842 527842234 /nfs/dbraw/zinc/84/22/34/527842234.db2.gz FXGGJELXSMGJMM-UHFFFAOYSA-N 2 1 332.492 2.376 20 70 EEIDMP CCC(CC)(C[NH3+])C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000161278033 463415722 /nfs/dbraw/zinc/41/57/22/463415722.db2.gz IMWQWFXFVHKJSY-IYBDPMFKSA-N 2 1 339.524 2.099 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000159863905 529024815 /nfs/dbraw/zinc/02/48/15/529024815.db2.gz QPOFUPUTRPPBMI-IBGZPJMESA-N 2 1 344.503 2.388 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000159863905 529024820 /nfs/dbraw/zinc/02/48/20/529024820.db2.gz QPOFUPUTRPPBMI-IBGZPJMESA-N 2 1 344.503 2.388 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000159863905 529024825 /nfs/dbraw/zinc/02/48/25/529024825.db2.gz QPOFUPUTRPPBMI-IBGZPJMESA-N 2 1 344.503 2.388 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000159639449 279285268 /nfs/dbraw/zinc/28/52/68/279285268.db2.gz GCHJXTUBBQLSSH-ROUUACIJSA-N 2 1 338.540 2.482 20 70 EEIDMP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000159948683 463311146 /nfs/dbraw/zinc/31/11/46/463311146.db2.gz WPXMJCUDJAKYJR-MJGOQNOKSA-N 2 1 346.519 2.489 20 70 EEIDMP [NH3+][C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000160288698 225380947 /nfs/dbraw/zinc/38/09/47/225380947.db2.gz DTOMTJINFDEVNY-GDBMZVCRSA-N 2 1 341.377 2.001 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000159620598 463296596 /nfs/dbraw/zinc/29/65/96/463296596.db2.gz OEQJLLHBEVFWID-GOSISDBHSA-N 2 1 338.540 2.480 20 70 EEIDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC1CC[NH+](C)CC1 ZINC000159663622 463297792 /nfs/dbraw/zinc/29/77/92/463297792.db2.gz XGIFVYYYCDZIIH-APWZRJJASA-N 2 1 344.503 2.148 20 70 EEIDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cnn(C)c2)CC1 ZINC000160352096 529149902 /nfs/dbraw/zinc/14/99/02/529149902.db2.gz ZGQFKVOIVDWKGZ-KRWDZBQOSA-N 2 1 341.503 2.408 20 70 EEIDMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161230724 463411742 /nfs/dbraw/zinc/41/17/42/463411742.db2.gz PQWMHXVKAMXIDW-UHFFFAOYSA-N 2 1 346.471 2.294 20 70 EEIDMP CC[NH2+]CC1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000161070520 463397606 /nfs/dbraw/zinc/39/76/06/463397606.db2.gz LBVPBBUWSRTGBS-MRXNPFEDSA-N 2 1 329.488 2.281 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC000159672036 529025627 /nfs/dbraw/zinc/02/56/27/529025627.db2.gz PGCFJYXIECJVMD-QGZVFWFLSA-N 2 1 344.503 2.170 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000159672036 529025635 /nfs/dbraw/zinc/02/56/35/529025635.db2.gz PGCFJYXIECJVMD-QGZVFWFLSA-N 2 1 344.503 2.170 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000159672036 529025641 /nfs/dbraw/zinc/02/56/41/529025641.db2.gz PGCFJYXIECJVMD-QGZVFWFLSA-N 2 1 344.503 2.170 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NCCC[NH+](C)Cc2ccccc2)CC1 ZINC000159556883 529025712 /nfs/dbraw/zinc/02/57/12/529025712.db2.gz YUQRPZIRAYISLQ-UHFFFAOYSA-N 2 1 332.492 2.246 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000159556883 529025719 /nfs/dbraw/zinc/02/57/19/529025719.db2.gz YUQRPZIRAYISLQ-UHFFFAOYSA-N 2 1 332.492 2.246 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000159556883 529025723 /nfs/dbraw/zinc/02/57/23/529025723.db2.gz YUQRPZIRAYISLQ-UHFFFAOYSA-N 2 1 332.492 2.246 20 70 EEIDMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000160868447 311359566 /nfs/dbraw/zinc/35/95/66/311359566.db2.gz ROLTUJSXWQTVSQ-GOSISDBHSA-N 2 1 338.540 2.482 20 70 EEIDMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160704752 463363430 /nfs/dbraw/zinc/36/34/30/463363430.db2.gz ACYPDXDLBJLBPP-ROUUACIJSA-N 2 1 334.508 2.131 20 70 EEIDMP CN1CC[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C1=O ZINC000161190447 206334335 /nfs/dbraw/zinc/33/43/35/206334335.db2.gz LEAKYCGUHRBNKG-SFHVURJKSA-N 2 1 330.476 2.107 20 70 EEIDMP C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160802319 463372770 /nfs/dbraw/zinc/37/27/70/463372770.db2.gz XBHVBOSZOLOFDY-QGZVFWFLSA-N 2 1 336.524 2.377 20 70 EEIDMP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000161344161 463422769 /nfs/dbraw/zinc/42/27/69/463422769.db2.gz CGDBDOYIBMYSJA-FUHWJXTLSA-N 2 1 333.451 2.248 20 70 EEIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160460156 288105005 /nfs/dbraw/zinc/10/50/05/288105005.db2.gz MKXWWFJTMYDOJD-HLIPFELVSA-N 2 1 331.504 2.337 20 70 EEIDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000159602224 311343304 /nfs/dbraw/zinc/34/33/04/311343304.db2.gz IJOCJETUFXQIBL-UHFFFAOYSA-N 2 1 347.503 2.179 20 70 EEIDMP Cc1cccc(CN(CC[NH+](C)C)C(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000159637126 311343779 /nfs/dbraw/zinc/34/37/79/311343779.db2.gz KDHRVPUPTIVSCI-SFHVURJKSA-N 2 1 349.544 2.323 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000159774006 206262768 /nfs/dbraw/zinc/26/27/68/206262768.db2.gz SXRVJIXSOALTQN-SFHVURJKSA-N 2 1 332.492 2.335 20 70 EEIDMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCCc4sccc43)cn2)CC1 ZINC000160966415 277114760 /nfs/dbraw/zinc/11/47/60/277114760.db2.gz KYZUHPQQJFSOKG-INIZCTEOSA-N 2 1 343.500 2.457 20 70 EEIDMP CC[N@@H+]1CCCN(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000159533206 463291312 /nfs/dbraw/zinc/29/13/12/463291312.db2.gz KDXQRRGWFUEOFK-QGZVFWFLSA-N 2 1 348.491 2.035 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000159533206 463291319 /nfs/dbraw/zinc/29/13/19/463291319.db2.gz KDXQRRGWFUEOFK-QGZVFWFLSA-N 2 1 348.491 2.035 20 70 EEIDMP CC[NH2+]CC1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000161002190 463389369 /nfs/dbraw/zinc/38/93/69/463389369.db2.gz KJFDSFWDXBPSRT-UHFFFAOYSA-N 2 1 344.503 2.455 20 70 EEIDMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@@H+](CC)CC1)CC(C)C ZINC000159585644 255796890 /nfs/dbraw/zinc/79/68/90/255796890.db2.gz FJOPGJIHBQGQLP-QGZVFWFLSA-N 2 1 326.529 2.480 20 70 EEIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160597430 311356629 /nfs/dbraw/zinc/35/66/29/311356629.db2.gz PHRXKEXZVJPSLA-MBOZVWFJSA-N 2 1 331.504 2.337 20 70 EEIDMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000160307325 311352877 /nfs/dbraw/zinc/35/28/77/311352877.db2.gz WKEBXULVLIOTCY-QGZVFWFLSA-N 2 1 338.540 2.482 20 70 EEIDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000160902646 463380785 /nfs/dbraw/zinc/38/07/85/463380785.db2.gz KSPNNVUPOZOBGI-QGZVFWFLSA-N 2 1 326.529 2.479 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000159864043 529027263 /nfs/dbraw/zinc/02/72/63/529027263.db2.gz QPOFUPUTRPPBMI-LJQANCHMSA-N 2 1 344.503 2.388 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000159864043 529027266 /nfs/dbraw/zinc/02/72/66/529027266.db2.gz QPOFUPUTRPPBMI-LJQANCHMSA-N 2 1 344.503 2.388 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000159864043 529027272 /nfs/dbraw/zinc/02/72/72/529027272.db2.gz QPOFUPUTRPPBMI-LJQANCHMSA-N 2 1 344.503 2.388 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)CC1 ZINC000159977421 529029988 /nfs/dbraw/zinc/02/99/88/529029988.db2.gz CUXJNLMOXKMNGS-PKOBYXMFSA-N 2 1 344.503 2.387 20 70 EEIDMP CC[NH+]1CCCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000159977421 529029993 /nfs/dbraw/zinc/02/99/93/529029993.db2.gz CUXJNLMOXKMNGS-PKOBYXMFSA-N 2 1 344.503 2.387 20 70 EEIDMP CC[NH+]1CCCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000159977421 529029998 /nfs/dbraw/zinc/02/99/98/529029998.db2.gz CUXJNLMOXKMNGS-PKOBYXMFSA-N 2 1 344.503 2.387 20 70 EEIDMP Cc1cccc(CN(CC[NH+](C)C)C(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000159636974 311343947 /nfs/dbraw/zinc/34/39/47/311343947.db2.gz KDHRVPUPTIVSCI-GOSISDBHSA-N 2 1 349.544 2.323 20 70 EEIDMP CCC(CC)[C@@H](CNC(=O)C(CC)(CC)C[NH3+])[NH+]1CCOCC1 ZINC000161266313 311364060 /nfs/dbraw/zinc/36/40/60/311364060.db2.gz CVPLPIPZSAFBQD-MRXNPFEDSA-N 2 1 327.513 2.005 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000159535695 463291162 /nfs/dbraw/zinc/29/11/62/463291162.db2.gz JWKQOEVBAPEQIF-SFHVURJKSA-N 2 1 348.491 2.035 20 70 EEIDMP CC[NH+](CC)CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000159457562 463287548 /nfs/dbraw/zinc/28/75/48/463287548.db2.gz MDSFDCHUNLIUGC-WMZOPIPTSA-N 2 1 332.492 2.148 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000159672556 463298445 /nfs/dbraw/zinc/29/84/45/463298445.db2.gz JWKGRKKSWYKUHJ-IBGZPJMESA-N 2 1 344.503 2.388 20 70 EEIDMP CC[NH+]1CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000159672556 463298451 /nfs/dbraw/zinc/29/84/51/463298451.db2.gz JWKGRKKSWYKUHJ-IBGZPJMESA-N 2 1 344.503 2.388 20 70 EEIDMP CC[NH+]1CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000159672556 463298456 /nfs/dbraw/zinc/29/84/56/463298456.db2.gz JWKGRKKSWYKUHJ-IBGZPJMESA-N 2 1 344.503 2.388 20 70 EEIDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC[NH+]1CCCC1 ZINC000159952306 463311299 /nfs/dbraw/zinc/31/12/99/463311299.db2.gz WTWNEGVZNPYYKD-HKUYNNGSSA-N 2 1 344.503 2.244 20 70 EEIDMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCSC1)[NH+]1CCC(C)CC1 ZINC000160004416 311348694 /nfs/dbraw/zinc/34/86/94/311348694.db2.gz DISGCKKZAXFVBD-IAGOWNOFSA-N 2 1 341.565 2.296 20 70 EEIDMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160966853 311360601 /nfs/dbraw/zinc/36/06/01/311360601.db2.gz MUZSMJFJUSNOMJ-ROUUACIJSA-N 2 1 336.524 2.377 20 70 EEIDMP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000161344045 463423169 /nfs/dbraw/zinc/42/31/69/463423169.db2.gz CGDBDOYIBMYSJA-WMZOPIPTSA-N 2 1 333.451 2.248 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)N[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000160029480 463315738 /nfs/dbraw/zinc/31/57/38/463315738.db2.gz HDXQYHZAZVDSFX-HKUYNNGSSA-N 2 1 344.503 2.244 20 70 EEIDMP CC[NH+]1CCCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000160029480 463315745 /nfs/dbraw/zinc/31/57/45/463315745.db2.gz HDXQYHZAZVDSFX-HKUYNNGSSA-N 2 1 344.503 2.244 20 70 EEIDMP CC[NH+]1CCCN(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000160029480 463315752 /nfs/dbraw/zinc/31/57/52/463315752.db2.gz HDXQYHZAZVDSFX-HKUYNNGSSA-N 2 1 344.503 2.244 20 70 EEIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160597513 311356381 /nfs/dbraw/zinc/35/63/81/311356381.db2.gz PHRXKEXZVJPSLA-FUHIMQAGSA-N 2 1 331.504 2.337 20 70 EEIDMP CC(C)[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCSC1)[NH+]1CCC(C)CC1 ZINC000160004283 311348841 /nfs/dbraw/zinc/34/88/41/311348841.db2.gz DISGCKKZAXFVBD-SJORKVTESA-N 2 1 341.565 2.296 20 70 EEIDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC[NH+]1CCCC1 ZINC000159952167 463312063 /nfs/dbraw/zinc/31/20/63/463312063.db2.gz WTWNEGVZNPYYKD-MJGOQNOKSA-N 2 1 344.503 2.244 20 70 EEIDMP CC[C@@H](CSC)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160255057 529527737 /nfs/dbraw/zinc/52/77/37/529527737.db2.gz DAFSASVFDCCMKW-IRXDYDNUSA-N 2 1 337.533 2.479 20 70 EEIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCO2 ZINC000160713922 463364909 /nfs/dbraw/zinc/36/49/09/463364909.db2.gz MZOAEPKMAAVFII-DOTOQJQBSA-N 2 1 334.460 2.345 20 70 EEIDMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000161010034 463390885 /nfs/dbraw/zinc/39/08/85/463390885.db2.gz PXTGUDNJYXMHCD-MSOLQXFVSA-N 2 1 338.540 2.480 20 70 EEIDMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000161010034 463390887 /nfs/dbraw/zinc/39/08/87/463390887.db2.gz PXTGUDNJYXMHCD-MSOLQXFVSA-N 2 1 338.540 2.480 20 70 EEIDMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000161010034 463390892 /nfs/dbraw/zinc/39/08/92/463390892.db2.gz PXTGUDNJYXMHCD-MSOLQXFVSA-N 2 1 338.540 2.480 20 70 EEIDMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160704622 463363623 /nfs/dbraw/zinc/36/36/23/463363623.db2.gz ACYPDXDLBJLBPP-QZTJIDSGSA-N 2 1 334.508 2.131 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000159774161 529027397 /nfs/dbraw/zinc/02/73/97/529027397.db2.gz SXRVJIXSOALTQN-GOSISDBHSA-N 2 1 332.492 2.335 20 70 EEIDMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)o1 ZINC000160609308 463355503 /nfs/dbraw/zinc/35/55/03/463355503.db2.gz CYQOOVOOSCADLA-QGZVFWFLSA-N 2 1 348.491 2.146 20 70 EEIDMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000159526384 225233495 /nfs/dbraw/zinc/23/34/95/225233495.db2.gz IRZDLIITVVYVEU-CABCVRRESA-N 2 1 326.868 2.272 20 70 EEIDMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000159526384 225233497 /nfs/dbraw/zinc/23/34/97/225233497.db2.gz IRZDLIITVVYVEU-CABCVRRESA-N 2 1 326.868 2.272 20 70 EEIDMP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cncs1 ZINC000161232455 463412800 /nfs/dbraw/zinc/41/28/00/463412800.db2.gz GRBKZIOGYNXBQT-CYBMUJFWSA-N 2 1 332.473 2.285 20 70 EEIDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](COC)C3CC3)cc2)CC1 ZINC000160333435 463328495 /nfs/dbraw/zinc/32/84/95/463328495.db2.gz ZWMLBYRXXSFNCB-FQEVSTJZSA-N 2 1 331.504 2.339 20 70 EEIDMP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000161343786 463423099 /nfs/dbraw/zinc/42/30/99/463423099.db2.gz CGDBDOYIBMYSJA-AEFFLSMTSA-N 2 1 333.451 2.248 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000159535393 529027919 /nfs/dbraw/zinc/02/79/19/529027919.db2.gz GASCVIUKSAPBIG-QGZVFWFLSA-N 2 1 336.455 2.166 20 70 EEIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc([S@@](C)=O)cc1 ZINC000160723397 311357855 /nfs/dbraw/zinc/35/78/55/311357855.db2.gz FDNPGVPHDXSJIB-JCEJCQQGSA-N 2 1 338.517 2.312 20 70 EEIDMP Cc1cccc2nc(CNC(=O)N3CCN(C)C[C@@H]3C(C)C)cn21 ZINC000159544827 463291428 /nfs/dbraw/zinc/29/14/28/463291428.db2.gz BHNHYKRCQDLNBG-MRXNPFEDSA-N 2 1 329.448 2.124 20 70 EEIDMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161130942 463401838 /nfs/dbraw/zinc/40/18/38/463401838.db2.gz NWIXPNRJLPTYLR-IMJJTQAJSA-N 2 1 339.505 2.118 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000159845009 529027942 /nfs/dbraw/zinc/02/79/42/529027942.db2.gz MMNOEDDHJWIKQF-KRWDZBQOSA-N 2 1 332.492 2.244 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000159845009 529027947 /nfs/dbraw/zinc/02/79/47/529027947.db2.gz MMNOEDDHJWIKQF-KRWDZBQOSA-N 2 1 332.492 2.244 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000159845009 529027950 /nfs/dbraw/zinc/02/79/50/529027950.db2.gz MMNOEDDHJWIKQF-KRWDZBQOSA-N 2 1 332.492 2.244 20 70 EEIDMP [NH3+][C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000160288844 225381956 /nfs/dbraw/zinc/38/19/56/225381956.db2.gz DTOMTJINFDEVNY-ZBFHGGJFSA-N 2 1 341.377 2.001 20 70 EEIDMP CCOCCCNC(=O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000160546234 463349596 /nfs/dbraw/zinc/34/95/96/463349596.db2.gz DAIQJUKLBVSMHU-UHFFFAOYSA-N 2 1 339.524 2.117 20 70 EEIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-n2cncn2)cc1 ZINC000160759274 463367783 /nfs/dbraw/zinc/36/77/83/463367783.db2.gz CBJYHIGFOFSUNV-VQIMIIECSA-N 2 1 343.475 2.155 20 70 EEIDMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@H](c2ccccc2)C1 ZINC000160619782 463356670 /nfs/dbraw/zinc/35/66/70/463356670.db2.gz KOFKOPHUADLYJJ-MOPGFXCFSA-N 2 1 342.487 2.169 20 70 EEIDMP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@H](c2ccccc2)C1 ZINC000160619782 463356677 /nfs/dbraw/zinc/35/66/77/463356677.db2.gz KOFKOPHUADLYJJ-MOPGFXCFSA-N 2 1 342.487 2.169 20 70 EEIDMP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@H](c2ccccc2)C1 ZINC000160619782 463356681 /nfs/dbraw/zinc/35/66/81/463356681.db2.gz KOFKOPHUADLYJJ-MOPGFXCFSA-N 2 1 342.487 2.169 20 70 EEIDMP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)[C@H](c2ccccc2)C1 ZINC000160619782 463356687 /nfs/dbraw/zinc/35/66/87/463356687.db2.gz KOFKOPHUADLYJJ-MOPGFXCFSA-N 2 1 342.487 2.169 20 70 EEIDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000160341545 529149953 /nfs/dbraw/zinc/14/99/53/529149953.db2.gz NRBXQURQSRTNIZ-PXNSSMCTSA-N 2 1 331.504 2.339 20 70 EEIDMP Cc1noc(C)c1[C@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160438586 539522088 /nfs/dbraw/zinc/52/20/88/539522088.db2.gz AKIBBDZNQCHJEN-GUYCJALGSA-N 2 1 344.459 2.361 20 70 EEIDMP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000161343919 463423565 /nfs/dbraw/zinc/42/35/65/463423565.db2.gz CGDBDOYIBMYSJA-SJLPKXTDSA-N 2 1 333.451 2.248 20 70 EEIDMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160643067 463358738 /nfs/dbraw/zinc/35/87/38/463358738.db2.gz RAITVKMFRDLWQU-ZWKOTPCHSA-N 2 1 334.508 2.131 20 70 EEIDMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160643190 463358799 /nfs/dbraw/zinc/35/87/99/463358799.db2.gz RAITVKMFRDLWQU-ROUUACIJSA-N 2 1 334.508 2.131 20 70 EEIDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)[C@H]3CCOC3)cc2)CC1 ZINC000160310900 206289888 /nfs/dbraw/zinc/28/98/88/206289888.db2.gz PSAKFXXFDJNZKI-XLIONFOSSA-N 2 1 331.504 2.339 20 70 EEIDMP CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000161339284 311364777 /nfs/dbraw/zinc/36/47/77/311364777.db2.gz NZZZDLLRCCVPFW-UHFFFAOYSA-N 2 1 332.492 2.455 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC000159672204 206258178 /nfs/dbraw/zinc/25/81/78/206258178.db2.gz PGCFJYXIECJVMD-KRWDZBQOSA-N 2 1 344.503 2.170 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000159672204 206258183 /nfs/dbraw/zinc/25/81/83/206258183.db2.gz PGCFJYXIECJVMD-KRWDZBQOSA-N 2 1 344.503 2.170 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000159672204 206258187 /nfs/dbraw/zinc/25/81/87/206258187.db2.gz PGCFJYXIECJVMD-KRWDZBQOSA-N 2 1 344.503 2.170 20 70 EEIDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000160020511 463316328 /nfs/dbraw/zinc/31/63/28/463316328.db2.gz XUOJTRRVWJYZNO-NEWSRXKRSA-N 2 1 344.503 2.243 20 70 EEIDMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000160619910 463356738 /nfs/dbraw/zinc/35/67/38/463356738.db2.gz KOFKOPHUADLYJJ-RTBURBONSA-N 2 1 342.487 2.169 20 70 EEIDMP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000160619910 463356739 /nfs/dbraw/zinc/35/67/39/463356739.db2.gz KOFKOPHUADLYJJ-RTBURBONSA-N 2 1 342.487 2.169 20 70 EEIDMP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000160619910 463356744 /nfs/dbraw/zinc/35/67/44/463356744.db2.gz KOFKOPHUADLYJJ-RTBURBONSA-N 2 1 342.487 2.169 20 70 EEIDMP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000160619910 463356752 /nfs/dbraw/zinc/35/67/52/463356752.db2.gz KOFKOPHUADLYJJ-RTBURBONSA-N 2 1 342.487 2.169 20 70 EEIDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)[C@@H]3CCOC3)cc2)CC1 ZINC000160310680 206290470 /nfs/dbraw/zinc/29/04/70/206290470.db2.gz PSAKFXXFDJNZKI-YLJYHZDGSA-N 2 1 331.504 2.339 20 70 EEIDMP CC[NH+](CC)CCNC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000161483165 311366702 /nfs/dbraw/zinc/36/67/02/311366702.db2.gz VOQIXFDGDTYSJX-FUHWJXTLSA-N 2 1 332.492 2.290 20 70 EEIDMP Cc1cccc2nc(CNC(=O)N3CCN(C)C[C@H]3C(C)C)cn21 ZINC000159544962 463291017 /nfs/dbraw/zinc/29/10/17/463291017.db2.gz BHNHYKRCQDLNBG-INIZCTEOSA-N 2 1 329.448 2.124 20 70 EEIDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000161148465 463404183 /nfs/dbraw/zinc/40/41/83/463404183.db2.gz LSVYWKRMFFKPPS-APWZRJJASA-N 3 1 331.504 2.216 20 70 EEIDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCN1C ZINC000161148465 463404187 /nfs/dbraw/zinc/40/41/87/463404187.db2.gz LSVYWKRMFFKPPS-APWZRJJASA-N 2 1 331.504 2.216 20 70 EEIDMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cnn(C)c1 ZINC000160424149 463336853 /nfs/dbraw/zinc/33/68/53/463336853.db2.gz GXCXIJQLGSTDMH-IBGZPJMESA-N 2 1 328.460 2.493 20 70 EEIDMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160704889 463363378 /nfs/dbraw/zinc/36/33/78/463363378.db2.gz ACYPDXDLBJLBPP-ZWKOTPCHSA-N 2 1 334.508 2.131 20 70 EEIDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)[C@@H]3CCOC3)cc2)CC1 ZINC000160310545 529149138 /nfs/dbraw/zinc/14/91/38/529149138.db2.gz PSAKFXXFDJNZKI-FXAWDEMLSA-N 2 1 331.504 2.339 20 70 EEIDMP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000159746400 463302806 /nfs/dbraw/zinc/30/28/06/463302806.db2.gz NZYUAXRKQOPNHV-YTQUADARSA-N 2 1 344.503 2.290 20 70 EEIDMP CC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159746400 463302810 /nfs/dbraw/zinc/30/28/10/463302810.db2.gz NZYUAXRKQOPNHV-YTQUADARSA-N 2 1 344.503 2.290 20 70 EEIDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)[C@H](C)C1 ZINC000161169415 463407084 /nfs/dbraw/zinc/40/70/84/463407084.db2.gz FQDPGQRFYTVVGF-DYESRHJHSA-N 3 1 345.531 2.463 20 70 EEIDMP CC[N@@H+]1CC[C@@H](NCc2ccccc2C[NH+]2CCC(O)CC2)[C@H](C)C1 ZINC000161169415 463407086 /nfs/dbraw/zinc/40/70/86/463407086.db2.gz FQDPGQRFYTVVGF-DYESRHJHSA-N 2 1 345.531 2.463 20 70 EEIDMP CC[N@H+]1CC[C@@H](NCc2ccccc2C[NH+]2CCC(O)CC2)[C@H](C)C1 ZINC000161169415 463407089 /nfs/dbraw/zinc/40/70/89/463407089.db2.gz FQDPGQRFYTVVGF-DYESRHJHSA-N 2 1 345.531 2.463 20 70 EEIDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000160504345 539522319 /nfs/dbraw/zinc/52/23/19/539522319.db2.gz ZMVOGLWJOYPMGE-QGZVFWFLSA-N 3 1 331.504 2.339 20 70 EEIDMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[NH+]2CC(C)C)C1 ZINC000160902924 279034933 /nfs/dbraw/zinc/03/49/33/279034933.db2.gz NGHVOLKOUKCIMO-ROUUACIJSA-N 2 1 338.540 2.480 20 70 EEIDMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000160902924 279034935 /nfs/dbraw/zinc/03/49/35/279034935.db2.gz NGHVOLKOUKCIMO-ROUUACIJSA-N 2 1 338.540 2.480 20 70 EEIDMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000160902924 279034937 /nfs/dbraw/zinc/03/49/37/279034937.db2.gz NGHVOLKOUKCIMO-ROUUACIJSA-N 2 1 338.540 2.480 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159639286 463296883 /nfs/dbraw/zinc/29/68/83/463296883.db2.gz GCHJXTUBBQLSSH-HDICACEKSA-N 2 1 338.540 2.482 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159639286 463296886 /nfs/dbraw/zinc/29/68/86/463296886.db2.gz GCHJXTUBBQLSSH-HDICACEKSA-N 2 1 338.540 2.482 20 70 EEIDMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161131343 463402115 /nfs/dbraw/zinc/40/21/15/463402115.db2.gz NWIXPNRJLPTYLR-KBMXLJTQSA-N 2 1 339.505 2.118 20 70 EEIDMP CCC(CC)(C[NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000161275871 463416076 /nfs/dbraw/zinc/41/60/76/463416076.db2.gz BIYFIOLMSWLGCG-INIZCTEOSA-N 2 1 347.503 2.289 20 70 EEIDMP CCC(CC)(C[NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000161275871 463416082 /nfs/dbraw/zinc/41/60/82/463416082.db2.gz BIYFIOLMSWLGCG-INIZCTEOSA-N 2 1 347.503 2.289 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000159620455 463296077 /nfs/dbraw/zinc/29/60/77/463296077.db2.gz OEQJLLHBEVFWID-SFHVURJKSA-N 2 1 338.540 2.480 20 70 EEIDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](COC)C3CC3)cc2)CC1 ZINC000160333555 463329252 /nfs/dbraw/zinc/32/92/52/463329252.db2.gz ZWMLBYRXXSFNCB-HXUWFJFHSA-N 2 1 331.504 2.339 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000159795136 529025178 /nfs/dbraw/zinc/02/51/78/529025178.db2.gz UMDHDPYTTOODGI-KRWDZBQOSA-N 2 1 348.491 2.462 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000159711181 529027813 /nfs/dbraw/zinc/02/78/13/529027813.db2.gz BDAKGVRZXRPRGY-QGZVFWFLSA-N 2 1 336.455 2.166 20 70 EEIDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000160504230 539521963 /nfs/dbraw/zinc/52/19/63/539521963.db2.gz ZMVOGLWJOYPMGE-KRWDZBQOSA-N 3 1 331.504 2.339 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000159535813 463291735 /nfs/dbraw/zinc/29/17/35/463291735.db2.gz JWKQOEVBAPEQIF-GOSISDBHSA-N 2 1 348.491 2.035 20 70 EEIDMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161131070 463401795 /nfs/dbraw/zinc/40/17/95/463401795.db2.gz NWIXPNRJLPTYLR-BMFZPTHFSA-N 2 1 339.505 2.118 20 70 EEIDMP C[C@@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+]1CCCCCC1 ZINC000160302230 311352735 /nfs/dbraw/zinc/35/27/35/311352735.db2.gz CSQTWCZKIBNLRP-KRWDZBQOSA-N 2 1 339.524 2.068 20 70 EEIDMP CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000159533055 463290901 /nfs/dbraw/zinc/29/09/01/463290901.db2.gz KDXQRRGWFUEOFK-KRWDZBQOSA-N 2 1 348.491 2.035 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000159533055 463290904 /nfs/dbraw/zinc/29/09/04/463290904.db2.gz KDXQRRGWFUEOFK-KRWDZBQOSA-N 2 1 348.491 2.035 20 70 EEIDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160966737 311360359 /nfs/dbraw/zinc/36/03/59/311360359.db2.gz MUZSMJFJUSNOMJ-MSOLQXFVSA-N 2 1 336.524 2.377 20 70 EEIDMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000160868584 311359751 /nfs/dbraw/zinc/35/97/51/311359751.db2.gz ROLTUJSXWQTVSQ-SFHVURJKSA-N 2 1 338.540 2.482 20 70 EEIDMP CC[NH+](CC)CC(=O)N1CC[NH+](CCCc2cccc(OC)c2)CC1 ZINC000160580179 463352467 /nfs/dbraw/zinc/35/24/67/463352467.db2.gz QICXVNTXKVWWDJ-UHFFFAOYSA-N 2 1 347.503 2.114 20 70 EEIDMP COc1cc(C)c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1OC ZINC000161307675 463418360 /nfs/dbraw/zinc/41/83/60/463418360.db2.gz WPKAYQQVAIIXFT-UHFFFAOYSA-N 2 1 335.492 2.082 20 70 EEIDMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000160902755 463380740 /nfs/dbraw/zinc/38/07/40/463380740.db2.gz KSPNNVUPOZOBGI-KRWDZBQOSA-N 2 1 326.529 2.479 20 70 EEIDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cnn(C)c2)CC1 ZINC000160352214 529149749 /nfs/dbraw/zinc/14/97/49/529149749.db2.gz ZGQFKVOIVDWKGZ-QGZVFWFLSA-N 2 1 341.503 2.408 20 70 EEIDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC1CC[NH+](C)CC1 ZINC000159663758 463298694 /nfs/dbraw/zinc/29/86/94/463298694.db2.gz XGIFVYYYCDZIIH-LPHOPBHVSA-N 2 1 344.503 2.148 20 70 EEIDMP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)o1 ZINC000160609418 463354734 /nfs/dbraw/zinc/35/47/34/463354734.db2.gz CYQOOVOOSCADLA-KRWDZBQOSA-N 2 1 348.491 2.146 20 70 EEIDMP CC(=O)NC1CCC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000161255082 463414097 /nfs/dbraw/zinc/41/40/97/463414097.db2.gz ZCGYRWUFMHOFRT-UHFFFAOYSA-N 2 1 329.488 2.472 20 70 EEIDMP CC(=O)NC1CCC([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000161255082 463414103 /nfs/dbraw/zinc/41/41/03/463414103.db2.gz ZCGYRWUFMHOFRT-UHFFFAOYSA-N 2 1 329.488 2.472 20 70 EEIDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)CC1 ZINC000159826743 311346935 /nfs/dbraw/zinc/34/69/35/311346935.db2.gz LCALEJCRYQKRMZ-SFHVURJKSA-N 2 1 330.476 2.127 20 70 EEIDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)CC1 ZINC000159826743 311346938 /nfs/dbraw/zinc/34/69/38/311346938.db2.gz LCALEJCRYQKRMZ-SFHVURJKSA-N 2 1 330.476 2.127 20 70 EEIDMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000161017314 463391926 /nfs/dbraw/zinc/39/19/26/463391926.db2.gz DCVADPNEJBXFFW-ROUUACIJSA-N 2 1 334.508 2.153 20 70 EEIDMP CC(=O)NC1CCC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000161230592 311363753 /nfs/dbraw/zinc/36/37/53/311363753.db2.gz SYPVWOFYBOVDDU-UHFFFAOYSA-N 2 1 345.487 2.056 20 70 EEIDMP CCC(CC)[C@H](CNC(=O)C(CC)(CC)C[NH3+])[NH+]1CCOCC1 ZINC000161266429 311364016 /nfs/dbraw/zinc/36/40/16/311364016.db2.gz CVPLPIPZSAFBQD-INIZCTEOSA-N 2 1 327.513 2.005 20 70 EEIDMP O=C1CCCN1CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000159496433 225228160 /nfs/dbraw/zinc/22/81/60/225228160.db2.gz HSCUTZSGDBTCBA-UHFFFAOYSA-N 2 1 329.488 2.296 20 70 EEIDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cn1 ZINC000161024612 463391829 /nfs/dbraw/zinc/39/18/29/463391829.db2.gz GKYAXSCZHAIMBK-UHFFFAOYSA-N 2 1 328.416 2.351 20 70 EEIDMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000161148367 206330554 /nfs/dbraw/zinc/33/05/54/206330554.db2.gz LSVYWKRMFFKPPS-QFBILLFUSA-N 3 1 331.504 2.216 20 70 EEIDMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCN1C ZINC000161148367 206330559 /nfs/dbraw/zinc/33/05/59/206330559.db2.gz LSVYWKRMFFKPPS-QFBILLFUSA-N 2 1 331.504 2.216 20 70 EEIDMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@@H+](CC)CC1)CC(C)C ZINC000159585810 255796724 /nfs/dbraw/zinc/79/67/24/255796724.db2.gz FJOPGJIHBQGQLP-KRWDZBQOSA-N 2 1 326.529 2.480 20 70 EEIDMP C[C@@H]1C[C@H](NC(=O)N(C)CC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000160359411 311353522 /nfs/dbraw/zinc/35/35/22/311353522.db2.gz VUYLQANBVSXIGS-MJGOQNOKSA-N 2 1 344.503 2.387 20 70 EEIDMP CCC(CC)(C[NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000161275734 463415980 /nfs/dbraw/zinc/41/59/80/463415980.db2.gz BIYFIOLMSWLGCG-MRXNPFEDSA-N 2 1 347.503 2.289 20 70 EEIDMP CCC(CC)(C[NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000161275734 463415984 /nfs/dbraw/zinc/41/59/84/463415984.db2.gz BIYFIOLMSWLGCG-MRXNPFEDSA-N 2 1 347.503 2.289 20 70 EEIDMP CC[NH+](CC)CCNC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000161483532 311366633 /nfs/dbraw/zinc/36/66/33/311366633.db2.gz VOQIXFDGDTYSJX-AEFFLSMTSA-N 2 1 332.492 2.290 20 70 EEIDMP CC[NH2+]CC1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000161070638 463397227 /nfs/dbraw/zinc/39/72/27/463397227.db2.gz LBVPBBUWSRTGBS-INIZCTEOSA-N 2 1 329.488 2.281 20 70 EEIDMP Cc1noc(C)c1[C@@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160438456 539521137 /nfs/dbraw/zinc/52/11/37/539521137.db2.gz AKIBBDZNQCHJEN-DYVFJYSZSA-N 2 1 344.459 2.361 20 70 EEIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCO2 ZINC000160714057 206310322 /nfs/dbraw/zinc/31/03/22/206310322.db2.gz MZOAEPKMAAVFII-NVXWUHKLSA-N 2 1 334.460 2.345 20 70 EEIDMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000161488723 206350781 /nfs/dbraw/zinc/35/07/81/206350781.db2.gz DEVPXKQSDQBHDK-ZDUSSCGKSA-N 2 1 325.478 2.193 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159735775 463302903 /nfs/dbraw/zinc/30/29/03/463302903.db2.gz ZDOSEBSVWKVBTR-CALCHBBNSA-N 2 1 338.540 2.480 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159735775 463302909 /nfs/dbraw/zinc/30/29/09/463302909.db2.gz ZDOSEBSVWKVBTR-CALCHBBNSA-N 2 1 338.540 2.480 20 70 EEIDMP CC[NH+]1CCCN(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159735775 463302912 /nfs/dbraw/zinc/30/29/12/463302912.db2.gz ZDOSEBSVWKVBTR-CALCHBBNSA-N 2 1 338.540 2.480 20 70 EEIDMP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000159948757 463311353 /nfs/dbraw/zinc/31/13/53/463311353.db2.gz WPXMJCUDJAKYJR-HKUYNNGSSA-N 2 1 346.519 2.489 20 70 EEIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160460542 463341615 /nfs/dbraw/zinc/34/16/15/463341615.db2.gz MKXWWFJTMYDOJD-FUHIMQAGSA-N 2 1 331.504 2.337 20 70 EEIDMP C[C@H]1C[C@@H](NC(=O)N(C)CC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000160359775 311353606 /nfs/dbraw/zinc/35/36/06/311353606.db2.gz VUYLQANBVSXIGS-PKOBYXMFSA-N 2 1 344.503 2.387 20 70 EEIDMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160704503 463363906 /nfs/dbraw/zinc/36/39/06/463363906.db2.gz ACYPDXDLBJLBPP-MSOLQXFVSA-N 2 1 334.508 2.131 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000159956985 463312892 /nfs/dbraw/zinc/31/28/92/463312892.db2.gz BHHFKVXZDKVKIP-UHFFFAOYSA-N 2 1 338.540 2.482 20 70 EEIDMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000161148564 463404597 /nfs/dbraw/zinc/40/45/97/463404597.db2.gz LSVYWKRMFFKPPS-LPHOPBHVSA-N 3 1 331.504 2.216 20 70 EEIDMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCN1C ZINC000161148564 463404598 /nfs/dbraw/zinc/40/45/98/463404598.db2.gz LSVYWKRMFFKPPS-LPHOPBHVSA-N 2 1 331.504 2.216 20 70 EEIDMP C[C@H]([NH2+]CCN1CCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000159362086 539516120 /nfs/dbraw/zinc/51/61/20/539516120.db2.gz XALSTCOEKIKMLW-IBGZPJMESA-N 2 1 344.547 2.124 20 70 EEIDMP C[NH+](C)C1CCN(CCNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000160156734 463321031 /nfs/dbraw/zinc/32/10/31/463321031.db2.gz VEJKQQOFBLJECR-UHFFFAOYSA-N 2 1 336.568 2.399 20 70 EEIDMP CC(=O)NC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000161024464 463392001 /nfs/dbraw/zinc/39/20/01/463392001.db2.gz IDOWUIKKEZNPHN-UHFFFAOYSA-N 2 1 327.432 2.113 20 70 EEIDMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161131180 463402497 /nfs/dbraw/zinc/40/24/97/463402497.db2.gz NWIXPNRJLPTYLR-BPUTZDHNSA-N 2 1 339.505 2.118 20 70 EEIDMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000159805697 527971893 /nfs/dbraw/zinc/97/18/93/527971893.db2.gz BWYVNVIPXAWLEO-KRWDZBQOSA-N 2 1 326.529 2.336 20 70 EEIDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)[C@@H]2CCOC2)CC1 ZINC000160341440 529149687 /nfs/dbraw/zinc/14/96/87/529149687.db2.gz NRBXQURQSRTNIZ-YLJYHZDGSA-N 2 1 331.504 2.339 20 70 EEIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160597314 311356358 /nfs/dbraw/zinc/35/63/58/311356358.db2.gz PHRXKEXZVJPSLA-UWVAXJGDSA-N 2 1 331.504 2.337 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)N[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)CC1 ZINC000159977557 529031735 /nfs/dbraw/zinc/03/17/35/529031735.db2.gz CUXJNLMOXKMNGS-HKUYNNGSSA-N 2 1 344.503 2.387 20 70 EEIDMP CC[NH+]1CCCN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000159977557 529031741 /nfs/dbraw/zinc/03/17/41/529031741.db2.gz CUXJNLMOXKMNGS-HKUYNNGSSA-N 2 1 344.503 2.387 20 70 EEIDMP CC[NH+]1CCCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000159977557 529031745 /nfs/dbraw/zinc/03/17/45/529031745.db2.gz CUXJNLMOXKMNGS-HKUYNNGSSA-N 2 1 344.503 2.387 20 70 EEIDMP C[C@@H]([NH2+]CCN1CCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000159362236 539516023 /nfs/dbraw/zinc/51/60/23/539516023.db2.gz XALSTCOEKIKMLW-LJQANCHMSA-N 2 1 344.547 2.124 20 70 EEIDMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@@H+](CC)CC1)c1ccco1 ZINC000159774574 463304421 /nfs/dbraw/zinc/30/44/21/463304421.db2.gz DJJABWASJWPCGR-INIZCTEOSA-N 2 1 336.480 2.400 20 70 EEIDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](COC)C2CC2)CC1 ZINC000160365603 279363768 /nfs/dbraw/zinc/36/37/68/279363768.db2.gz JFVFNHGSJUZQSG-FQEVSTJZSA-N 2 1 331.504 2.339 20 70 EEIDMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000159715666 311344959 /nfs/dbraw/zinc/34/49/59/311344959.db2.gz FJSYGJRPVFFDTA-GOSISDBHSA-N 2 1 336.524 2.378 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000159672335 463298944 /nfs/dbraw/zinc/29/89/44/463298944.db2.gz JWKGRKKSWYKUHJ-LJQANCHMSA-N 2 1 344.503 2.388 20 70 EEIDMP CC[NH+]1CCCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000159672335 463298948 /nfs/dbraw/zinc/29/89/48/463298948.db2.gz JWKGRKKSWYKUHJ-LJQANCHMSA-N 2 1 344.503 2.388 20 70 EEIDMP CC[NH+]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000159672335 463298951 /nfs/dbraw/zinc/29/89/51/463298951.db2.gz JWKGRKKSWYKUHJ-LJQANCHMSA-N 2 1 344.503 2.388 20 70 EEIDMP C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000160442320 311354366 /nfs/dbraw/zinc/35/43/66/311354366.db2.gz RYKONLADWAXLJQ-QGZVFWFLSA-N 2 1 336.524 2.234 20 70 EEIDMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000159526258 225233603 /nfs/dbraw/zinc/23/36/03/225233603.db2.gz IRZDLIITVVYVEU-HUUCEWRRSA-N 2 1 326.868 2.272 20 70 EEIDMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000159526258 225233606 /nfs/dbraw/zinc/23/36/06/225233606.db2.gz IRZDLIITVVYVEU-HUUCEWRRSA-N 2 1 326.868 2.272 20 70 EEIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc([S@](C)=O)cc1 ZINC000160723129 311357928 /nfs/dbraw/zinc/35/79/28/311357928.db2.gz FDNPGVPHDXSJIB-XSSDXNQZSA-N 2 1 338.517 2.312 20 70 EEIDMP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160639532 463357629 /nfs/dbraw/zinc/35/76/29/463357629.db2.gz VGOQUGRAKBBCEB-IBGZPJMESA-N 2 1 344.503 2.244 20 70 EEIDMP CN1CC[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C1=O ZINC000161190556 463409613 /nfs/dbraw/zinc/40/96/13/463409613.db2.gz LEAKYCGUHRBNKG-GOSISDBHSA-N 2 1 330.476 2.107 20 70 EEIDMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000160788020 463371392 /nfs/dbraw/zinc/37/13/92/463371392.db2.gz QMSYONGCTXLYLZ-INIZCTEOSA-N 2 1 334.508 2.273 20 70 EEIDMP CC[NH+](CC)CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000159457435 463287522 /nfs/dbraw/zinc/28/75/22/463287522.db2.gz MDSFDCHUNLIUGC-FUHWJXTLSA-N 2 1 332.492 2.148 20 70 EEIDMP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160503829 463344201 /nfs/dbraw/zinc/34/42/01/463344201.db2.gz XNFIWZWRFJTGAA-IBGZPJMESA-N 2 1 340.471 2.420 20 70 EEIDMP C[NH+](C)CCC1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160802454 463372896 /nfs/dbraw/zinc/37/28/96/463372896.db2.gz XBHVBOSZOLOFDY-KRWDZBQOSA-N 2 1 336.524 2.377 20 70 EEIDMP CC[NH+](CC)CCNC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000161483285 311366608 /nfs/dbraw/zinc/36/66/08/311366608.db2.gz VOQIXFDGDTYSJX-WMZOPIPTSA-N 2 1 332.492 2.290 20 70 EEIDMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000161148248 463404608 /nfs/dbraw/zinc/40/46/08/463404608.db2.gz LSVYWKRMFFKPPS-VQIMIIECSA-N 3 1 331.504 2.216 20 70 EEIDMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCN1C ZINC000161148248 463404609 /nfs/dbraw/zinc/40/46/09/463404609.db2.gz LSVYWKRMFFKPPS-VQIMIIECSA-N 2 1 331.504 2.216 20 70 EEIDMP CC(C)N(CC[NH+](C)C)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000159436142 528895025 /nfs/dbraw/zinc/89/50/25/528895025.db2.gz AXLGEZANXCMMLN-UHFFFAOYSA-N 2 1 338.471 2.239 20 70 EEIDMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000160307450 311352836 /nfs/dbraw/zinc/35/28/36/311352836.db2.gz WKEBXULVLIOTCY-KRWDZBQOSA-N 2 1 338.540 2.482 20 70 EEIDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000160020675 463315359 /nfs/dbraw/zinc/31/53/59/463315359.db2.gz XUOJTRRVWJYZNO-WDSOQIARSA-N 2 1 344.503 2.243 20 70 EEIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160460287 463339511 /nfs/dbraw/zinc/33/95/11/463339511.db2.gz MKXWWFJTMYDOJD-UWVAXJGDSA-N 2 1 331.504 2.337 20 70 EEIDMP CC[N@@H+]1CCCN(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CC1 ZINC000159873361 529022921 /nfs/dbraw/zinc/02/29/21/529022921.db2.gz BCIBFRIXBKPRIF-UHFFFAOYSA-N 2 1 345.491 2.096 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CC1 ZINC000159873361 529022925 /nfs/dbraw/zinc/02/29/25/529022925.db2.gz BCIBFRIXBKPRIF-UHFFFAOYSA-N 2 1 345.491 2.096 20 70 EEIDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000161017188 277387326 /nfs/dbraw/zinc/38/73/26/277387326.db2.gz DCVADPNEJBXFFW-MSOLQXFVSA-N 2 1 334.508 2.153 20 70 EEIDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)[C@H]3CCOC3)cc2)CC1 ZINC000160310793 529149191 /nfs/dbraw/zinc/14/91/91/529149191.db2.gz PSAKFXXFDJNZKI-PXNSSMCTSA-N 2 1 331.504 2.339 20 70 EEIDMP Cc1nc2n(n1)C[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC000160385708 463332626 /nfs/dbraw/zinc/33/26/26/463332626.db2.gz XTHVEHXICKOBJJ-IBGZPJMESA-N 2 1 339.487 2.198 20 70 EEIDMP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160503699 463344286 /nfs/dbraw/zinc/34/42/86/463344286.db2.gz XNFIWZWRFJTGAA-LJQANCHMSA-N 2 1 340.471 2.420 20 70 EEIDMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[NH+]2CC(C)C)C1 ZINC000160903081 284351029 /nfs/dbraw/zinc/35/10/29/284351029.db2.gz NGHVOLKOUKCIMO-MSOLQXFVSA-N 2 1 338.540 2.480 20 70 EEIDMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000160903081 284351032 /nfs/dbraw/zinc/35/10/32/284351032.db2.gz NGHVOLKOUKCIMO-MSOLQXFVSA-N 2 1 338.540 2.480 20 70 EEIDMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000160903081 284351038 /nfs/dbraw/zinc/35/10/38/284351038.db2.gz NGHVOLKOUKCIMO-MSOLQXFVSA-N 2 1 338.540 2.480 20 70 EEIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160460411 463340592 /nfs/dbraw/zinc/34/05/92/463340592.db2.gz MKXWWFJTMYDOJD-MBOZVWFJSA-N 2 1 331.504 2.337 20 70 EEIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000159711051 529026004 /nfs/dbraw/zinc/02/60/04/529026004.db2.gz BDAKGVRZXRPRGY-KRWDZBQOSA-N 2 1 336.455 2.166 20 70 EEIDMP Cc1nc2n(n1)C[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC000160385582 463332748 /nfs/dbraw/zinc/33/27/48/463332748.db2.gz XTHVEHXICKOBJJ-LJQANCHMSA-N 2 1 339.487 2.198 20 70 EEIDMP COCC[N@@H+](C)CCCC1CC[NH+](CN2CC(C)(C)OC2=O)CC1 ZINC000159853345 311347121 /nfs/dbraw/zinc/34/71/21/311347121.db2.gz OUEBGFGCMINAKD-UHFFFAOYSA-N 2 1 341.496 2.245 20 70 EEIDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000160341328 529149804 /nfs/dbraw/zinc/14/98/04/529149804.db2.gz NRBXQURQSRTNIZ-FXAWDEMLSA-N 2 1 331.504 2.339 20 70 EEIDMP