smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC[N@H+]1CCC[C@@]2(CCN(Cc3cc(C[NH+]4CCCCC4)cs3)C2)C1 ZINC000012073159 858787499 /nfs/dbraw/zinc/78/74/99/858787499.db2.gz PVNPRMWFDDWAMG-JOCHJYFZSA-N 3 1 391.625 3.668 50 0 GHAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000012197338 204380450 /nfs/dbraw/zinc/38/04/50/204380450.db2.gz BGYQPOVWMDJWEM-QGZVFWFLSA-N 2 1 398.016 3.994 50 0 GHAAMP CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC000058174143 205168040 /nfs/dbraw/zinc/16/80/40/205168040.db2.gz QRQJQLJLGUHPAB-NRFANRHFSA-N 2 1 386.584 3.557 50 0 GHAAMP CC(C)(C)[NH+]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000058174143 205168045 /nfs/dbraw/zinc/16/80/45/205168045.db2.gz QRQJQLJLGUHPAB-NRFANRHFSA-N 2 1 386.584 3.557 50 0 GHAAMP CC(C)(C)[NH+]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000058174143 205168048 /nfs/dbraw/zinc/16/80/48/205168048.db2.gz QRQJQLJLGUHPAB-NRFANRHFSA-N 2 1 386.584 3.557 50 0 GHAAMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc(OCCc3ccccc3)cc2)CC1 ZINC000072157107 205313707 /nfs/dbraw/zinc/31/37/07/205313707.db2.gz TVPZGXHSGUIFCP-DEOSSOPVSA-N 2 1 382.548 3.587 50 0 GHAAMP C[C@@H](c1cccc(C[N@H+]2CCCC23CCN(c2ncccn2)CC3)c1)[NH+](C)C ZINC000072463130 136171143 /nfs/dbraw/zinc/17/11/43/136171143.db2.gz ITCCWWUGHHJJCK-IBGZPJMESA-N 2 1 379.552 3.734 50 0 GHAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(c3cc(C)[nH+]c(NC)n3)CC2)C1 ZINC000095353111 136177931 /nfs/dbraw/zinc/17/79/31/136177931.db2.gz VOBRQEQQYJVEND-HXUWFJFHSA-N 2 1 379.552 3.923 50 0 GHAAMP CSc1ccc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000014981170 570869877 /nfs/dbraw/zinc/86/98/77/570869877.db2.gz CLXOMWIFFMCZEL-LJQANCHMSA-N 2 1 389.609 3.610 50 0 GHAAMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccc(OC)c2F)CC1 ZINC000192679921 904341140 /nfs/dbraw/zinc/34/11/40/904341140.db2.gz NMWZOABOQHTOFY-INIZCTEOSA-N 2 1 389.490 3.966 50 0 GHAAMP Cc1ccc([C@@H](C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)[NH+](C)C)cc1 ZINC000952965991 904644190 /nfs/dbraw/zinc/64/41/90/904644190.db2.gz HMUPSEJFGXIDBP-QFIPXVFZSA-N 2 1 381.520 3.709 50 0 GHAAMP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cccc(OCCO)c4)C3)C2)c1 ZINC000015064182 919357501 /nfs/dbraw/zinc/35/75/01/919357501.db2.gz SIMUEXBFLNPQMA-RUZDIDTESA-N 2 1 394.559 3.854 50 0 GHAAMP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cccc(OCCO)c4)C3)C2)c1 ZINC000015064182 919357515 /nfs/dbraw/zinc/35/75/15/919357515.db2.gz SIMUEXBFLNPQMA-RUZDIDTESA-N 2 1 394.559 3.854 50 0 GHAAMP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cccc(OCCO)c4)C3)C2)c1 ZINC000015064182 919357531 /nfs/dbraw/zinc/35/75/31/919357531.db2.gz SIMUEXBFLNPQMA-RUZDIDTESA-N 2 1 394.559 3.854 50 0 GHAAMP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cccc(OCCO)c4)C3)C2)c1 ZINC000015064182 919357550 /nfs/dbraw/zinc/35/75/50/919357550.db2.gz SIMUEXBFLNPQMA-RUZDIDTESA-N 2 1 394.559 3.854 50 0 GHAAMP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cccc(OCCO)c4)C3)C2)c1 ZINC000015064183 919358029 /nfs/dbraw/zinc/35/80/29/919358029.db2.gz SIMUEXBFLNPQMA-VWLOTQADSA-N 2 1 394.559 3.854 50 0 GHAAMP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cccc(OCCO)c4)C3)C2)c1 ZINC000015064183 919358042 /nfs/dbraw/zinc/35/80/42/919358042.db2.gz SIMUEXBFLNPQMA-VWLOTQADSA-N 2 1 394.559 3.854 50 0 GHAAMP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cccc(OCCO)c4)C3)C2)c1 ZINC000015064183 919358057 /nfs/dbraw/zinc/35/80/57/919358057.db2.gz SIMUEXBFLNPQMA-VWLOTQADSA-N 2 1 394.559 3.854 50 0 GHAAMP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cccc(OCCO)c4)C3)C2)c1 ZINC000015064183 919358071 /nfs/dbraw/zinc/35/80/71/919358071.db2.gz SIMUEXBFLNPQMA-VWLOTQADSA-N 2 1 394.559 3.854 50 0 GHAAMP Cc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c2ccccc2[nH+]1 ZINC000071575368 205285341 /nfs/dbraw/zinc/28/53/41/205285341.db2.gz ZRTGJSWDYTWLLQ-SFHVURJKSA-N 2 1 392.547 3.503 50 0 GHAAMP Cc1[nH+]c(N)ccc1-c1cccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000426435342 533594615 /nfs/dbraw/zinc/59/46/15/533594615.db2.gz HHZWDRUFQAUMJG-HXUWFJFHSA-N 2 1 378.520 3.560 50 0 GHAAMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)Cc2ccccc2C[NH+]2CCCC2)C1 ZINC000426620016 529020835 /nfs/dbraw/zinc/02/08/35/529020835.db2.gz JPEXPSVVBTWGAQ-HXUWFJFHSA-N 2 1 386.584 3.544 50 0 GHAAMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000072309464 570532558 /nfs/dbraw/zinc/53/25/58/570532558.db2.gz UWXCYLVKTQQDTC-QHCPKHFHSA-N 2 1 395.547 3.872 50 0 GHAAMP COc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cc2c1OCO2 ZINC000012596899 570689524 /nfs/dbraw/zinc/68/95/24/570689524.db2.gz NUBVSMHAKMZUFR-UHFFFAOYSA-N 2 1 386.492 3.669 50 0 GHAAMP Cc1cc(C)c(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1C ZINC000012717949 570705312 /nfs/dbraw/zinc/70/53/12/570705312.db2.gz VSJJCYUNECWJDC-HXUWFJFHSA-N 2 1 383.580 3.567 50 0 GHAAMP Cc1cc(C)c(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1C ZINC000012717949 570705314 /nfs/dbraw/zinc/70/53/14/570705314.db2.gz VSJJCYUNECWJDC-HXUWFJFHSA-N 2 1 383.580 3.567 50 0 GHAAMP Cc1[nH+]ccn1CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000019334769 570976140 /nfs/dbraw/zinc/97/61/40/570976140.db2.gz PDMIBAOMMQMBLH-JOCHJYFZSA-N 2 1 382.552 3.561 50 0 GHAAMP Cc1[nH+]ccn1CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000019334769 570976142 /nfs/dbraw/zinc/97/61/42/570976142.db2.gz PDMIBAOMMQMBLH-JOCHJYFZSA-N 2 1 382.552 3.561 50 0 GHAAMP COc1cccc(C[N@@H+]2CC[C@H](n3c(C)c[nH+]c3C3CCOCC3)C2)c1OC ZINC000575548819 866189102 /nfs/dbraw/zinc/18/91/02/866189102.db2.gz KAIHEDSUPKTHIU-IBGZPJMESA-N 2 1 385.508 3.550 50 0 GHAAMP COc1cccc(C[N@H+]2CC[C@H](n3c(C)c[nH+]c3C3CCOCC3)C2)c1OC ZINC000575548819 866189107 /nfs/dbraw/zinc/18/91/07/866189107.db2.gz KAIHEDSUPKTHIU-IBGZPJMESA-N 2 1 385.508 3.550 50 0 GHAAMP COCC[N@@H+]1CC[C@H](C[NH+](C)C2CCN(c3ccc(C)c(Cl)c3)CC2)C1 ZINC000952982212 904668202 /nfs/dbraw/zinc/66/82/02/904668202.db2.gz QRIIULMHHBMLRC-GOSISDBHSA-N 2 1 379.976 3.517 50 0 GHAAMP COCC[N@H+]1CC[C@H](C[NH+](C)C2CCN(c3ccc(C)c(Cl)c3)CC2)C1 ZINC000952982212 904668206 /nfs/dbraw/zinc/66/82/06/904668206.db2.gz QRIIULMHHBMLRC-GOSISDBHSA-N 2 1 379.976 3.517 50 0 GHAAMP COCC[NH+]1CC[C@H](C[N@H+](C)C2CCN(c3ccc(C)c(Cl)c3)CC2)C1 ZINC000952982212 904668212 /nfs/dbraw/zinc/66/82/12/904668212.db2.gz QRIIULMHHBMLRC-GOSISDBHSA-N 2 1 379.976 3.517 50 0 GHAAMP COCC[NH+]1CC[C@H](C[N@@H+](C)C2CCN(c3ccc(C)c(Cl)c3)CC2)C1 ZINC000952982212 904668217 /nfs/dbraw/zinc/66/82/17/904668217.db2.gz QRIIULMHHBMLRC-GOSISDBHSA-N 2 1 379.976 3.517 50 0 GHAAMP c1csc(C[N@@H+]2CCCN(C3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC000952988691 904674091 /nfs/dbraw/zinc/67/40/91/904674091.db2.gz UFLZMLAHTSBBSF-UHFFFAOYSA-N 2 1 383.605 3.963 50 0 GHAAMP CCn1ncc(C[N@@H+](C)CC2CC[NH+](CCc3ccccc3OC)CC2)c1C ZINC000426408884 231217079 /nfs/dbraw/zinc/21/70/79/231217079.db2.gz CZJWDBRQIRWYPC-UHFFFAOYSA-N 2 1 384.568 3.607 50 0 GHAAMP COc1ccc(-n2cc(C[NH2+]C3CC[NH+](C)CC3)c(-c3cccc(F)c3)n2)cc1 ZINC000011661252 204348226 /nfs/dbraw/zinc/34/82/26/204348226.db2.gz NZEIDBTTWSYLCM-UHFFFAOYSA-N 2 1 394.494 3.871 50 0 GHAAMP CC(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011766820 204351943 /nfs/dbraw/zinc/35/19/43/204351943.db2.gz RNMOQYZSPXKIQB-JOCHJYFZSA-N 2 1 385.596 3.868 50 0 GHAAMP CC(C)CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011766820 204351947 /nfs/dbraw/zinc/35/19/47/204351947.db2.gz RNMOQYZSPXKIQB-JOCHJYFZSA-N 2 1 385.596 3.868 50 0 GHAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+](CC[C@@H](C)c3ccc(C)o3)CC2)CC1 ZINC000011773169 204353145 /nfs/dbraw/zinc/35/31/45/204353145.db2.gz DMCYINWBBHCBCJ-LJQANCHMSA-N 2 1 389.584 3.738 50 0 GHAAMP C[NH+](C[C@@H](O)COc1cccc(C[N@H+](C)Cc2ccccn2)c1)C1CCCCC1 ZINC000012304665 204393265 /nfs/dbraw/zinc/39/32/65/204393265.db2.gz JBLOFZPWZSBROJ-HSZRJFAPSA-N 2 1 397.563 3.718 50 0 GHAAMP C[NH+](Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1)Cc1ccccn1 ZINC000012304665 204393268 /nfs/dbraw/zinc/39/32/68/204393268.db2.gz JBLOFZPWZSBROJ-HSZRJFAPSA-N 2 1 397.563 3.718 50 0 GHAAMP C[NH+](Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1)Cc1ccccn1 ZINC000012304665 204393272 /nfs/dbraw/zinc/39/32/72/204393272.db2.gz JBLOFZPWZSBROJ-HSZRJFAPSA-N 2 1 397.563 3.718 50 0 GHAAMP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC000067714017 205256532 /nfs/dbraw/zinc/25/65/32/205256532.db2.gz IYZCGJZESFQUBD-QFIPXVFZSA-N 2 1 391.559 3.795 50 0 GHAAMP O=C(NC1CC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC000067714017 205256537 /nfs/dbraw/zinc/25/65/37/205256537.db2.gz IYZCGJZESFQUBD-QFIPXVFZSA-N 2 1 391.559 3.795 50 0 GHAAMP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000067773722 205260651 /nfs/dbraw/zinc/26/06/51/205260651.db2.gz APSYTGPMAYFPCN-OAQYLSRUSA-N 2 1 391.559 3.795 50 0 GHAAMP O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000067773722 205260652 /nfs/dbraw/zinc/26/06/52/205260652.db2.gz APSYTGPMAYFPCN-OAQYLSRUSA-N 2 1 391.559 3.795 50 0 GHAAMP COCC[NH+]1CCC(C[N@@H+](Cc2nc(C(C)C)cs2)C[C@H]2CCCO2)CC1 ZINC000012075372 221148177 /nfs/dbraw/zinc/14/81/77/221148177.db2.gz UIIHVQQXWWHNHK-LJQANCHMSA-N 2 1 395.613 3.606 50 0 GHAAMP COCC[NH+]1CCC(C[N@H+](Cc2nc(C(C)C)cs2)C[C@H]2CCCO2)CC1 ZINC000012075372 221148180 /nfs/dbraw/zinc/14/81/80/221148180.db2.gz UIIHVQQXWWHNHK-LJQANCHMSA-N 2 1 395.613 3.606 50 0 GHAAMP Cc1cc(N2CCC3(CCC[N@@H+]3Cc3nccn3C)CC2)c2ccccc2[nH+]1 ZINC000072409500 136169567 /nfs/dbraw/zinc/16/95/67/136169567.db2.gz CXEGIQQLBNPCCF-UHFFFAOYSA-N 2 1 375.520 3.912 50 0 GHAAMP CC[NH+]1CCN(C(=O)c2cccc(-c3cccc(C[NH+]4CCCC4)c3)c2)CC1 ZINC000426474201 529135159 /nfs/dbraw/zinc/13/51/59/529135159.db2.gz HOALLOCOSPIYQZ-UHFFFAOYSA-N 2 1 377.532 3.727 50 0 GHAAMP Cc1cc(C[N@H+](C)[C@@H](C)Cc2ccccn2)c(C)c(C[NH+]2CCN(C)CC2)c1 ZINC000215095640 570285714 /nfs/dbraw/zinc/28/57/14/570285714.db2.gz KAMVGAOLBYIITO-FQEVSTJZSA-N 2 1 380.580 3.509 50 0 GHAAMP Cc1cc(CN2CC[NH+](C)CC2)c(C)c(C[N@@H+](C)[C@@H](C)Cc2ccccn2)c1 ZINC000215095640 570285716 /nfs/dbraw/zinc/28/57/16/570285716.db2.gz KAMVGAOLBYIITO-FQEVSTJZSA-N 2 1 380.580 3.509 50 0 GHAAMP Cc1cc(CN2CC[NH+](C)CC2)c(C)c(C[N@H+](C)[C@@H](C)Cc2ccccn2)c1 ZINC000215095640 570285718 /nfs/dbraw/zinc/28/57/18/570285718.db2.gz KAMVGAOLBYIITO-FQEVSTJZSA-N 2 1 380.580 3.509 50 0 GHAAMP COc1ccc2ccccc2c1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000023864568 570374215 /nfs/dbraw/zinc/37/42/15/570374215.db2.gz DCBUENSEFAUKIY-UHFFFAOYSA-N 2 1 376.500 3.970 50 0 GHAAMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)cc1O ZINC000012458519 570670286 /nfs/dbraw/zinc/67/02/86/570670286.db2.gz WPAFKKLMMRVJSA-HXUWFJFHSA-N 2 1 386.511 3.926 50 0 GHAAMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)cc1O ZINC000012458519 570670287 /nfs/dbraw/zinc/67/02/87/570670287.db2.gz WPAFKKLMMRVJSA-HXUWFJFHSA-N 2 1 386.511 3.926 50 0 GHAAMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cc1O ZINC000012458519 570670288 /nfs/dbraw/zinc/67/02/88/570670288.db2.gz WPAFKKLMMRVJSA-HXUWFJFHSA-N 2 1 386.511 3.926 50 0 GHAAMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)cc1O ZINC000012458519 570670289 /nfs/dbraw/zinc/67/02/89/570670289.db2.gz WPAFKKLMMRVJSA-HXUWFJFHSA-N 2 1 386.511 3.926 50 0 GHAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+](Cc3ccc(Cl)s3)CC2)CC1 ZINC000012466240 570671871 /nfs/dbraw/zinc/67/18/71/570671871.db2.gz SIJBNHXEZZLUOV-UHFFFAOYSA-N 2 1 383.989 3.558 50 0 GHAAMP Cc1c(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C2CC2)C3)cnn1C ZINC000095378531 571065856 /nfs/dbraw/zinc/06/58/56/571065856.db2.gz DHUYSSVVEHSDDR-OAQYLSRUSA-N 2 1 378.564 3.963 50 0 GHAAMP C[N@@H+](C[C@H](O)COc1cccc(C[NH+]2CCC(F)(F)CC2)c1)C1CCCCC1 ZINC000095527311 571091345 /nfs/dbraw/zinc/09/13/45/571091345.db2.gz AEFWPCVLDDHPGN-FQEVSTJZSA-N 2 1 396.522 3.922 50 0 GHAAMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(-c4cccc(Br)c4)n3)C[C@H]12 ZINC000253370066 854952052 /nfs/dbraw/zinc/95/20/52/854952052.db2.gz LNHZPVKUYWUQFS-VBNZEHGJSA-N 2 1 378.339 3.742 50 0 GHAAMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4cccc(Br)c4)n3)C[C@H]12 ZINC000253370066 854952058 /nfs/dbraw/zinc/95/20/58/854952058.db2.gz LNHZPVKUYWUQFS-VBNZEHGJSA-N 2 1 378.339 3.742 50 0 GHAAMP C[C@@H](c1ccc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)o1)[NH+]1CCCCC1 ZINC000952979131 904658306 /nfs/dbraw/zinc/65/83/06/904658306.db2.gz TYKUXPLAZMHHTR-INIZCTEOSA-N 2 1 398.507 3.579 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](C[C@@H]2CCCO2)C2CCN(C)CC2)CC1 ZINC000020450655 919639948 /nfs/dbraw/zinc/63/99/48/919639948.db2.gz GHMBWTPSAAHQBW-VWLOTQADSA-N 2 1 399.623 3.782 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](C[C@@H]2CCCO2)C2CC[NH+](C)CC2)CC1 ZINC000020450655 919639956 /nfs/dbraw/zinc/63/99/56/919639956.db2.gz GHMBWTPSAAHQBW-VWLOTQADSA-N 3 1 399.623 3.782 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](C[C@@H]2CCCO2)C2CC[NH+](C)CC2)CC1 ZINC000020450655 919639989 /nfs/dbraw/zinc/63/99/89/919639989.db2.gz GHMBWTPSAAHQBW-VWLOTQADSA-N 3 1 399.623 3.782 50 0 GHAAMP CCc1nc(C)c(C[N@@H+](C)CC2CC[NH+](CCc3ccccc3OC)CC2)[nH]1 ZINC000012199083 204380646 /nfs/dbraw/zinc/38/06/46/204380646.db2.gz CEFPVRDUEOKMQX-UHFFFAOYSA-N 2 1 384.568 3.676 50 0 GHAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3cccn3-c3ncccn3)CC2)o1 ZINC000012303113 204390288 /nfs/dbraw/zinc/39/02/88/204390288.db2.gz XBTPOGFEZRQEAQ-UHFFFAOYSA-N 2 1 379.508 3.513 50 0 GHAAMP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCC2)c1C ZINC000058160754 205962505 /nfs/dbraw/zinc/96/25/05/205962505.db2.gz QNZUVWNYVVPSPM-QGZVFWFLSA-N 2 1 381.520 3.791 50 0 GHAAMP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000095524295 136181375 /nfs/dbraw/zinc/18/13/75/136181375.db2.gz LZYHQSBJYIOQRU-OAHLLOKOSA-N 2 1 381.446 3.633 50 0 GHAAMP CC(=O)Nc1ccc2nc(C[NH+]3CCC(Cn4cc[nH+]c4C)CC3)ccc2c1 ZINC000097772915 570254606 /nfs/dbraw/zinc/25/46/06/570254606.db2.gz JKJTUAVDQTTYAO-UHFFFAOYSA-N 2 1 377.492 3.610 50 0 GHAAMP CC(C)Oc1ccc(C[NH+]2CCC(CO)(C[NH+]3CCCC3)CC2)cc1Cl ZINC000220687423 570390368 /nfs/dbraw/zinc/39/03/68/570390368.db2.gz DHHJVEDEAOARSB-UHFFFAOYSA-N 2 1 380.960 3.798 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC000012755481 570710101 /nfs/dbraw/zinc/71/01/01/570710101.db2.gz DKKRQCBAAVNXKC-UHFFFAOYSA-N 2 1 383.580 3.684 50 0 GHAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NC3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000014953860 570865796 /nfs/dbraw/zinc/86/57/96/570865796.db2.gz YEJQTXDLIRAUGJ-OJWZQRGQSA-N 2 1 387.612 3.512 50 0 GHAAMP O=C(c1ccco1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014961199 570866772 /nfs/dbraw/zinc/86/67/72/570866772.db2.gz INWQANQNCFKPAJ-FQEVSTJZSA-N 2 1 387.568 3.862 50 0 GHAAMP C[N@@H+](Cc1ccccc1)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000012702499 570966444 /nfs/dbraw/zinc/96/64/44/570966444.db2.gz ZLOHYVPNVQFBBM-HSZRJFAPSA-N 2 1 382.548 3.934 50 0 GHAAMP COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)cc2)c1 ZINC000095500061 571075986 /nfs/dbraw/zinc/07/59/86/571075986.db2.gz KHYZLTNGSKHAJS-HXUWFJFHSA-N 2 1 393.531 3.765 50 0 GHAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)C1CCCC1 ZINC000095501799 571076685 /nfs/dbraw/zinc/07/66/85/571076685.db2.gz JMZPUDKDJTYKIP-LJQANCHMSA-N 2 1 389.559 3.618 50 0 GHAAMP c1nc2c([nH]1)[C@H](C1CC[NH+](Cc3ccccc3)CC1)[N@H+](CC1CCOCC1)CC2 ZINC000675012395 840863734 /nfs/dbraw/zinc/86/37/34/840863734.db2.gz JQWLLJOXOWFKJI-DEOSSOPVSA-N 2 1 394.563 3.648 50 0 GHAAMP c1nc2c([nH]1)[C@H](C1CC[NH+](Cc3ccccc3)CC1)[N@@H+](CC1CCOCC1)CC2 ZINC000675012395 840863746 /nfs/dbraw/zinc/86/37/46/840863746.db2.gz JQWLLJOXOWFKJI-DEOSSOPVSA-N 2 1 394.563 3.648 50 0 GHAAMP CC(C)[NH+]1CCC(CC(=O)N2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)CC1 ZINC000012751343 919302329 /nfs/dbraw/zinc/30/23/29/919302329.db2.gz VMTQHETWAPWDJN-QHCPKHFHSA-N 2 1 385.596 3.662 50 0 GHAAMP c1cc2nonc2c(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000014950539 919347558 /nfs/dbraw/zinc/34/75/58/919347558.db2.gz AGLSCWSKLLFKKI-NRFANRHFSA-N 2 1 398.551 3.858 50 0 GHAAMP C[NH+](C[C@H](O)COc1cccc(C[N@@H+](C)Cc2cccnc2)c1)C1CCCCC1 ZINC000011663153 204349367 /nfs/dbraw/zinc/34/93/67/204349367.db2.gz CUPCGDMVGFQOST-QHCPKHFHSA-N 2 1 397.563 3.718 50 0 GHAAMP C[NH+](Cc1cccnc1)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000011663153 204349372 /nfs/dbraw/zinc/34/93/72/204349372.db2.gz CUPCGDMVGFQOST-QHCPKHFHSA-N 2 1 397.563 3.718 50 0 GHAAMP C[NH+](Cc1cccnc1)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000011663153 204349376 /nfs/dbraw/zinc/34/93/76/204349376.db2.gz CUPCGDMVGFQOST-QHCPKHFHSA-N 2 1 397.563 3.718 50 0 GHAAMP CC(C)Oc1ccc(C[N@@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)cc1 ZINC000055153642 205142555 /nfs/dbraw/zinc/14/25/55/205142555.db2.gz SDGMTGXKULAQHH-DEOSSOPVSA-N 2 1 398.547 3.638 50 0 GHAAMP CC(C)Oc1ccc(C[N@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)cc1 ZINC000055153642 205142561 /nfs/dbraw/zinc/14/25/61/205142561.db2.gz SDGMTGXKULAQHH-DEOSSOPVSA-N 2 1 398.547 3.638 50 0 GHAAMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246936947 206133294 /nfs/dbraw/zinc/13/32/94/206133294.db2.gz QOXMHYKRVXBPOR-HSALFYBXSA-N 2 1 379.589 3.830 50 0 GHAAMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246936947 206133297 /nfs/dbraw/zinc/13/32/97/206133297.db2.gz QOXMHYKRVXBPOR-HSALFYBXSA-N 2 1 379.589 3.830 50 0 GHAAMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246936947 206133301 /nfs/dbraw/zinc/13/33/01/206133301.db2.gz QOXMHYKRVXBPOR-HSALFYBXSA-N 2 1 379.589 3.830 50 0 GHAAMP Cc1[nH+]ccn1CC1CC[NH+](Cc2cnc(NCc3ccccc3)nc2)CC1 ZINC000215868668 570292835 /nfs/dbraw/zinc/29/28/35/570292835.db2.gz FSHVLAOEORQGIM-UHFFFAOYSA-N 2 1 376.508 3.506 50 0 GHAAMP CC[C@H](C)Oc1ccc(C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)cc1Cl ZINC000216417904 570301396 /nfs/dbraw/zinc/30/13/96/570301396.db2.gz IQGHEWQFGAZGMR-KRWDZBQOSA-N 2 1 380.960 3.940 50 0 GHAAMP Clc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000023864925 570333537 /nfs/dbraw/zinc/33/35/37/570333537.db2.gz CAMRNPJHHJBWQE-UHFFFAOYSA-N 2 1 396.922 3.852 50 0 GHAAMP C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000015072647 570877971 /nfs/dbraw/zinc/87/79/71/570877971.db2.gz ZYMCITQUOZSLAW-XMMPIXPASA-N 2 1 390.527 3.848 50 0 GHAAMP Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000252510187 570979261 /nfs/dbraw/zinc/97/92/61/570979261.db2.gz ZDFCYZYKWLKLBA-LJQANCHMSA-N 2 1 397.538 3.735 50 0 GHAAMP Cc1ccc(C[N@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000252510187 570979266 /nfs/dbraw/zinc/97/92/66/570979266.db2.gz ZDFCYZYKWLKLBA-LJQANCHMSA-N 2 1 397.538 3.735 50 0 GHAAMP CN(C1CC[NH+](Cc2ccco2)CC1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000019537803 571000458 /nfs/dbraw/zinc/00/04/58/571000458.db2.gz MBCZAJPMVGTDLT-HSZRJFAPSA-N 2 1 381.564 3.883 50 0 GHAAMP CN(C1CC[NH+](Cc2ccco2)CC1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000019537803 571000461 /nfs/dbraw/zinc/00/04/61/571000461.db2.gz MBCZAJPMVGTDLT-HSZRJFAPSA-N 2 1 381.564 3.883 50 0 GHAAMP CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(-c2nc3c(c(=O)[nH]2)C[NH2+]CC3)cc1 ZINC000023429932 837074674 /nfs/dbraw/zinc/07/46/74/837074674.db2.gz FNGFDGKNYJPAJX-QFIPXVFZSA-N 2 1 388.515 3.666 50 0 GHAAMP Cc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)cc1C ZINC000014954284 843616826 /nfs/dbraw/zinc/61/68/26/843616826.db2.gz BTRZZQJTPOMLDT-UHFFFAOYSA-N 2 1 383.580 3.602 50 0 GHAAMP CC(C)c1nnc([C@@H]2C[N@@H+](C)CC23CCN(Cc2c(F)cccc2F)CC3)o1 ZINC000257175736 859403308 /nfs/dbraw/zinc/40/33/08/859403308.db2.gz QPRNAZKRBODDIK-INIZCTEOSA-N 2 1 390.478 3.783 50 0 GHAAMP CC(C)c1nnc([C@@H]2C[N@H+](C)CC23CC[NH+](Cc2c(F)cccc2F)CC3)o1 ZINC000257175736 859403315 /nfs/dbraw/zinc/40/33/15/859403315.db2.gz QPRNAZKRBODDIK-INIZCTEOSA-N 2 1 390.478 3.783 50 0 GHAAMP CC(C)c1nnc([C@@H]2C[N@@H+](C)CC23CC[NH+](Cc2c(F)cccc2F)CC3)o1 ZINC000257175736 859403322 /nfs/dbraw/zinc/40/33/22/859403322.db2.gz QPRNAZKRBODDIK-INIZCTEOSA-N 2 1 390.478 3.783 50 0 GHAAMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000095941361 860709381 /nfs/dbraw/zinc/70/93/81/860709381.db2.gz VGLFMOVCZSFDAJ-DBXWQHBBSA-N 2 1 395.522 3.677 50 0 GHAAMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1([NH+]2CCCC2)CCCCC1 ZINC000827661249 865059013 /nfs/dbraw/zinc/05/90/13/865059013.db2.gz NMLOUVHPIKDPTP-QFIPXVFZSA-N 2 1 383.580 3.814 50 0 GHAAMP c1ccc2c(c1)CC([NH+]1CCC(C[N@H+](C[C@H]3CCCO3)C3CCOCC3)CC1)C2 ZINC000012707892 919300140 /nfs/dbraw/zinc/30/01/40/919300140.db2.gz GYWWWVLQUMXMCX-RUZDIDTESA-N 2 1 398.591 3.526 50 0 GHAAMP c1cc2nonc2c(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000014950543 919347588 /nfs/dbraw/zinc/34/75/88/919347588.db2.gz AGLSCWSKLLFKKI-OAQYLSRUSA-N 2 1 398.551 3.858 50 0 GHAAMP COc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cnn(C)c2)CC(C)C)CC1 ZINC000014959254 919349320 /nfs/dbraw/zinc/34/93/20/919349320.db2.gz BDPGOIGZMUPDRR-UHFFFAOYSA-N 2 1 384.568 3.799 50 0 GHAAMP O=C(CC[C@H]1CCC[N@H+](Cc2ccco2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011873706 204358683 /nfs/dbraw/zinc/35/86/83/204358683.db2.gz DBUALKCRVGCDOT-JOCHJYFZSA-N 2 1 395.547 3.616 50 0 GHAAMP O=C(CC[C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011873706 204358687 /nfs/dbraw/zinc/35/86/87/204358687.db2.gz DBUALKCRVGCDOT-JOCHJYFZSA-N 2 1 395.547 3.616 50 0 GHAAMP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCC2)cc1 ZINC000058160632 205165766 /nfs/dbraw/zinc/16/57/66/205165766.db2.gz XJMYYPWIYJOLRX-KRWDZBQOSA-N 2 1 379.504 3.602 50 0 GHAAMP O=C(NC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)Nc1cccc(F)c1 ZINC000084372619 205393814 /nfs/dbraw/zinc/39/38/14/205393814.db2.gz AEJXMCBETMYRDC-SFHVURJKSA-N 2 1 376.520 3.535 50 0 GHAAMP C[C@H](c1cccc(C[N@H+]2CCCC23CCN(c2ncccn2)CC3)c1)[NH+](C)C ZINC000072463131 136171073 /nfs/dbraw/zinc/17/10/73/136171073.db2.gz ITCCWWUGHHJJCK-LJQANCHMSA-N 2 1 379.552 3.734 50 0 GHAAMP O=C(CC[C@H]1CCC[N@H+](Cc2ccoc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012431573 570660297 /nfs/dbraw/zinc/66/02/97/570660297.db2.gz DJEYFVNLQUHUFP-JOCHJYFZSA-N 2 1 395.547 3.616 50 0 GHAAMP O=C(CC[C@H]1CCC[N@@H+](Cc2ccoc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012431573 570660301 /nfs/dbraw/zinc/66/03/01/570660301.db2.gz DJEYFVNLQUHUFP-JOCHJYFZSA-N 2 1 395.547 3.616 50 0 GHAAMP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1cccs1 ZINC000014196723 570828554 /nfs/dbraw/zinc/82/85/54/570828554.db2.gz HRDKVKSZSRHUOI-SFHVURJKSA-N 2 1 393.556 3.896 50 0 GHAAMP Cc1nnc(C[N@H+](C)CC2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)o1 ZINC000095524175 571089711 /nfs/dbraw/zinc/08/97/11/571089711.db2.gz AUKWZUZTQYMJED-UHFFFAOYSA-N 2 1 396.457 3.783 50 0 GHAAMP Cc1nnc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)o1 ZINC000095524175 571089713 /nfs/dbraw/zinc/08/97/13/571089713.db2.gz AUKWZUZTQYMJED-UHFFFAOYSA-N 2 1 396.457 3.783 50 0 GHAAMP O[C@H]1[C@H]([N@@H+]2CC=C(c3ccc(F)cc3)CC2)c2ccccc2C12CC[NH2+]CC2 ZINC000023581874 836483808 /nfs/dbraw/zinc/48/38/08/836483808.db2.gz GDEDKUBCRXWBRQ-PKTZIBPZSA-N 2 1 378.491 3.652 50 0 GHAAMP CC[NH+](CC)CCOc1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000253370760 854955285 /nfs/dbraw/zinc/95/52/85/854955285.db2.gz VPQMXCCVQTYPNG-WTIAFYNJSA-N 2 1 389.584 3.709 50 0 GHAAMP O=C(NC1CCCCC1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000014969562 919348875 /nfs/dbraw/zinc/34/88/75/919348875.db2.gz GZHCQDVREAICAK-OAQYLSRUSA-N 2 1 383.580 3.812 50 0 GHAAMP O=C(NC1CCCCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000014969562 919348892 /nfs/dbraw/zinc/34/88/92/919348892.db2.gz GZHCQDVREAICAK-OAQYLSRUSA-N 2 1 383.580 3.812 50 0 GHAAMP O=C(NC1CCCCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000014969562 919348899 /nfs/dbraw/zinc/34/88/99/919348899.db2.gz GZHCQDVREAICAK-OAQYLSRUSA-N 2 1 383.580 3.812 50 0 GHAAMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccc(OCCc3ccccc3)cc2)CC1 ZINC000072157108 205312657 /nfs/dbraw/zinc/31/26/57/205312657.db2.gz TVPZGXHSGUIFCP-XMMPIXPASA-N 2 1 382.548 3.587 50 0 GHAAMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246936908 206133411 /nfs/dbraw/zinc/13/34/11/206133411.db2.gz QOXMHYKRVXBPOR-AABGKKOBSA-N 2 1 379.589 3.830 50 0 GHAAMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246936908 206133414 /nfs/dbraw/zinc/13/34/14/206133414.db2.gz QOXMHYKRVXBPOR-AABGKKOBSA-N 2 1 379.589 3.830 50 0 GHAAMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246936908 206133420 /nfs/dbraw/zinc/13/34/20/206133420.db2.gz QOXMHYKRVXBPOR-AABGKKOBSA-N 2 1 379.589 3.830 50 0 GHAAMP O=C(NC(C1CC1)C1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012711328 570702550 /nfs/dbraw/zinc/70/25/50/570702550.db2.gz ARCRLOOGBIWSQI-JOCHJYFZSA-N 2 1 395.591 3.668 50 0 GHAAMP O=C(NC(C1CC1)C1CC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012711328 570702553 /nfs/dbraw/zinc/70/25/53/570702553.db2.gz ARCRLOOGBIWSQI-JOCHJYFZSA-N 2 1 395.591 3.668 50 0 GHAAMP CC1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000014972667 570868047 /nfs/dbraw/zinc/86/80/47/570868047.db2.gz CEVYRYPKPIBVKB-HSZRJFAPSA-N 2 1 397.607 3.664 50 0 GHAAMP CC1CCN(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000014972667 570868049 /nfs/dbraw/zinc/86/80/49/570868049.db2.gz CEVYRYPKPIBVKB-HSZRJFAPSA-N 2 1 397.607 3.664 50 0 GHAAMP C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000015072649 570877976 /nfs/dbraw/zinc/87/79/76/570877976.db2.gz ZYMCITQUOZSLAW-DEOSSOPVSA-N 2 1 390.527 3.848 50 0 GHAAMP COCC[NH+]1CCC(C[N@H+](Cc2ccc(Cl)s2)C[C@@H]2CCCO2)CC1 ZINC000015077203 570879097 /nfs/dbraw/zinc/87/90/97/570879097.db2.gz TWLRRYLXJRLYEK-KRWDZBQOSA-N 2 1 386.989 3.741 50 0 GHAAMP COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)cc2)c1 ZINC000095500062 571075716 /nfs/dbraw/zinc/07/57/16/571075716.db2.gz KHYZLTNGSKHAJS-FQEVSTJZSA-N 2 1 393.531 3.765 50 0 GHAAMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3csc4ccccc34)CC2)CC1 ZINC000066568520 836296067 /nfs/dbraw/zinc/29/60/67/836296067.db2.gz MMHFKAFSWIZAEV-UHFFFAOYSA-N 2 1 385.577 3.668 50 0 GHAAMP Cc1cc(N2CCC[N@@H+](Cc3cnc(NCc4ccccc4)nc3)CC2)cc[nH+]1 ZINC000825281222 864363866 /nfs/dbraw/zinc/36/38/66/864363866.db2.gz QYPYQTYADIGKHC-UHFFFAOYSA-N 2 1 388.519 3.504 50 0 GHAAMP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000011767745 204353231 /nfs/dbraw/zinc/35/32/31/204353231.db2.gz MYXZFMCCSGUWPV-HXUWFJFHSA-N 2 1 379.548 3.606 50 0 GHAAMP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000011767745 204353234 /nfs/dbraw/zinc/35/32/34/204353234.db2.gz MYXZFMCCSGUWPV-HXUWFJFHSA-N 2 1 379.548 3.606 50 0 GHAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCc1cccc3ccccc31)CC[NH+](C)CC2 ZINC000072475044 222265760 /nfs/dbraw/zinc/26/57/60/222265760.db2.gz FTGJFAFKDZFDAE-JOCHJYFZSA-N 2 1 379.548 3.652 50 0 GHAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ccc(C(=O)NC)o3)CC2)C1 ZINC000096180375 570218732 /nfs/dbraw/zinc/21/87/32/570218732.db2.gz BQIPPBLYANFOHA-FQEVSTJZSA-N 2 1 395.547 3.731 50 0 GHAAMP Cc1ccc(C[N@H+](C)Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)o1 ZINC000012473726 570821037 /nfs/dbraw/zinc/82/10/37/570821037.db2.gz JCQHFZGCDHGLEC-OAQYLSRUSA-N 2 1 386.536 3.836 50 0 GHAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3ccc4nonc4c3)CC2)cc1 ZINC000015073697 570877901 /nfs/dbraw/zinc/87/79/01/570877901.db2.gz QCPHTWSEFDYFPK-UHFFFAOYSA-N 2 1 394.519 3.618 50 0 GHAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+](Cc3cc4ccccc4o3)CC2)CC1 ZINC000019224478 570963877 /nfs/dbraw/zinc/96/38/77/570963877.db2.gz RVYNMQDWAZGVGO-UHFFFAOYSA-N 2 1 383.536 3.589 50 0 GHAAMP CSc1ncc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)cn1 ZINC000091745451 571028309 /nfs/dbraw/zinc/02/83/09/571028309.db2.gz BVUDPCWLGOBYSY-FQEVSTJZSA-N 2 1 382.577 3.900 50 0 GHAAMP Cc1noc(C)c1COc1ccc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000585084601 897164490 /nfs/dbraw/zinc/16/44/90/897164490.db2.gz LQYCPNDYGIWUOF-LJQANCHMSA-N 2 1 380.492 3.761 50 0 GHAAMP Cc1noc(C)c1COc1ccc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000585084601 897164501 /nfs/dbraw/zinc/16/45/01/897164501.db2.gz LQYCPNDYGIWUOF-LJQANCHMSA-N 2 1 380.492 3.761 50 0 GHAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3cnc(N4CCCC4)s3)CC2)o1 ZINC000019335576 919577471 /nfs/dbraw/zinc/57/74/71/919577471.db2.gz TZUYDWSYBYOPRN-UHFFFAOYSA-N 2 1 388.581 3.989 50 0 GHAAMP C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000019758348 919595374 /nfs/dbraw/zinc/59/53/74/919595374.db2.gz LUJUIJZTRMUMDR-DEOSSOPVSA-N 2 1 378.564 3.642 50 0 GHAAMP C[NH+](C[C@@H](O)COc1cccc(C[N@@H+](C)Cc2cccnc2)c1)C1CCCCC1 ZINC000011663152 204348926 /nfs/dbraw/zinc/34/89/26/204348926.db2.gz CUPCGDMVGFQOST-HSZRJFAPSA-N 2 1 397.563 3.718 50 0 GHAAMP C[NH+](Cc1cccnc1)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000011663152 204348930 /nfs/dbraw/zinc/34/89/30/204348930.db2.gz CUPCGDMVGFQOST-HSZRJFAPSA-N 2 1 397.563 3.718 50 0 GHAAMP C[NH+](Cc1cccnc1)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000011663152 204348933 /nfs/dbraw/zinc/34/89/33/204348933.db2.gz CUPCGDMVGFQOST-HSZRJFAPSA-N 2 1 397.563 3.718 50 0 GHAAMP C[N@H+](Cc1ccc2nonc2c1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000011874144 204359800 /nfs/dbraw/zinc/35/98/00/204359800.db2.gz ZVBMRFMVBUECGY-UHFFFAOYSA-N 2 1 382.483 3.748 50 0 GHAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+](Cc3cccc(SC)c3)CC2)CC1 ZINC000012050092 204368171 /nfs/dbraw/zinc/36/81/71/204368171.db2.gz MFVRJFNPRRMSMA-UHFFFAOYSA-N 2 1 389.609 3.565 50 0 GHAAMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000058297831 205172556 /nfs/dbraw/zinc/17/25/56/205172556.db2.gz OYADPGZGTKXMOQ-DEOSSOPVSA-N 2 1 391.559 3.850 50 0 GHAAMP Cc1c(C[NH+]2CCC3(CC2)C[N@@H+](C)CCN3C)c2ccccc2n1CC(C)C ZINC000067803949 205259715 /nfs/dbraw/zinc/25/97/15/205259715.db2.gz FNKFOIXEAYPFPK-UHFFFAOYSA-N 2 1 382.596 3.818 50 0 GHAAMP C[NH+](C)C[C@H](O)COc1ccc(C[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012074923 221148188 /nfs/dbraw/zinc/14/81/88/221148188.db2.gz MWJMKKNHIBAEGP-NRXKURHUSA-N 2 1 386.580 3.636 50 0 GHAAMP C[NH+]1CCC(C[N@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)CC1 ZINC000072459010 136171204 /nfs/dbraw/zinc/17/12/04/136171204.db2.gz USTPMLYJCIMOFO-UHFFFAOYSA-N 2 1 396.501 3.877 50 0 GHAAMP CCCNc1ncc(C[N@@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)cn1 ZINC000072478403 535206469 /nfs/dbraw/zinc/20/64/69/535206469.db2.gz NOUIREPWKDPGCT-UHFFFAOYSA-N 2 1 380.540 3.637 50 0 GHAAMP CCCNc1ncc(C[N@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)cn1 ZINC000072478403 535206477 /nfs/dbraw/zinc/20/64/77/535206477.db2.gz NOUIREPWKDPGCT-UHFFFAOYSA-N 2 1 380.540 3.637 50 0 GHAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+](Cc3ccc(SC)cc3)CC2)CC1 ZINC000012751121 570709655 /nfs/dbraw/zinc/70/96/55/570709655.db2.gz ZBHPGOYKOVAHFQ-UHFFFAOYSA-N 2 1 389.609 3.565 50 0 GHAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000106125960 570948583 /nfs/dbraw/zinc/94/85/83/570948583.db2.gz YCDCRNJTXIJYFS-IBGZPJMESA-N 2 1 392.547 3.526 50 0 GHAAMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000252512748 570982520 /nfs/dbraw/zinc/98/25/20/570982520.db2.gz VGLFMOVCZSFDAJ-JHBZICRXSA-N 2 1 395.522 3.677 50 0 GHAAMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000252512748 570982521 /nfs/dbraw/zinc/98/25/21/570982521.db2.gz VGLFMOVCZSFDAJ-JHBZICRXSA-N 2 1 395.522 3.677 50 0 GHAAMP Clc1ccc2nc(N3CCC([NH2+]CCCc4[nH]cc[nH+]4)CC3)sc2c1 ZINC000095517769 571084768 /nfs/dbraw/zinc/08/47/68/571084768.db2.gz TXUPQDAPGANWEQ-UHFFFAOYSA-N 2 1 375.929 3.864 50 0 GHAAMP COc1cc(C[N@H+]2CCCC2(C)C)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095521043 571087258 /nfs/dbraw/zinc/08/72/58/571087258.db2.gz PUEHJGBWOATAII-FQEVSTJZSA-N 2 1 390.568 3.685 50 0 GHAAMP Cc1cc(C)cc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000012204190 859302319 /nfs/dbraw/zinc/30/23/19/859302319.db2.gz JHOWALXUEKZYMO-OAQYLSRUSA-N 2 1 385.596 3.848 50 0 GHAAMP Cc1nc(COc2ccc(C[N@H+](C)C[C@H]3CCn4cc[nH+]c4C3)cc2)cs1 ZINC000952846316 904629294 /nfs/dbraw/zinc/62/92/94/904629294.db2.gz ZOCWVTAUFNDHQE-SFHVURJKSA-N 2 1 382.533 3.921 50 0 GHAAMP Cc1nc(COc2ccc(C[N@@H+](C)C[C@H]3CCn4cc[nH+]c4C3)cc2)cs1 ZINC000952846316 904629308 /nfs/dbraw/zinc/62/93/08/904629308.db2.gz ZOCWVTAUFNDHQE-SFHVURJKSA-N 2 1 382.533 3.921 50 0 GHAAMP Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000952982666 904668377 /nfs/dbraw/zinc/66/83/77/904668377.db2.gz QMFXDEJICZFDMD-OAQYLSRUSA-N 2 1 383.580 3.732 50 0 GHAAMP [NH3+]CC[C@@H]1C[N@H+](C2CCN(c3cccc(-c4cccc(F)c4)c3)CC2)CCO1 ZINC000020363396 919634247 /nfs/dbraw/zinc/63/42/47/919634247.db2.gz BMUPDBYRWBIJJE-HSZRJFAPSA-N 2 1 383.511 3.511 50 0 GHAAMP Cc1ccc(NC(=O)C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCCC2)cc1C ZINC000655720977 930488103 /nfs/dbraw/zinc/48/81/03/930488103.db2.gz KLKAEJNMYQNRLN-QFIPXVFZSA-N 2 1 399.579 3.645 50 0 GHAAMP CCn1ncc(C[N@H+](CC)C[C@H]2CCC[NH+](CCc3cccc(OC)c3)C2)c1C ZINC000011878326 204359906 /nfs/dbraw/zinc/35/99/06/204359906.db2.gz HHYIQVDEDBQOKS-JOCHJYFZSA-N 2 1 398.595 3.997 50 0 GHAAMP CCn1ncc(C[N@@H+](CC)C[C@H]2CCC[NH+](CCc3cccc(OC)c3)C2)c1C ZINC000011878326 204359909 /nfs/dbraw/zinc/35/99/09/204359909.db2.gz HHYIQVDEDBQOKS-JOCHJYFZSA-N 2 1 398.595 3.997 50 0 GHAAMP CCn1ncc(C[NH+](CC)C[C@H]2CCC[N@H+](CCc3cccc(OC)c3)C2)c1C ZINC000011878326 204359912 /nfs/dbraw/zinc/35/99/12/204359912.db2.gz HHYIQVDEDBQOKS-JOCHJYFZSA-N 2 1 398.595 3.997 50 0 GHAAMP CCn1ncc(C[NH+](CC)C[C@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)c1C ZINC000011878326 204359915 /nfs/dbraw/zinc/35/99/15/204359915.db2.gz HHYIQVDEDBQOKS-JOCHJYFZSA-N 2 1 398.595 3.997 50 0 GHAAMP C[N@@H+](C[C@@H](O)COc1cccc(C[NH+]2CCC(F)CC2)c1)C1CCCCC1 ZINC000095504353 571077874 /nfs/dbraw/zinc/07/78/74/571077874.db2.gz IQJLGRIRSUDJAV-OAQYLSRUSA-N 2 1 378.532 3.625 50 0 GHAAMP CCN1CCC[C@@H]1C[N@H+](Cc1cccc(C)c1)CC1CC[NH+](CCOC)CC1 ZINC000022919777 835539204 /nfs/dbraw/zinc/53/92/04/835539204.db2.gz HKCKHBAOKNOCJF-XMMPIXPASA-N 2 1 387.612 3.640 50 0 GHAAMP CC[N@@H+]1CCC[C@@H]1CN(Cc1cccc(C)c1)CC1CC[NH+](CCOC)CC1 ZINC000022919777 835539206 /nfs/dbraw/zinc/53/92/06/835539206.db2.gz HKCKHBAOKNOCJF-XMMPIXPASA-N 2 1 387.612 3.640 50 0 GHAAMP CC[N@H+]1CCC[C@@H]1CN(Cc1cccc(C)c1)CC1CC[NH+](CCOC)CC1 ZINC000022919777 835539208 /nfs/dbraw/zinc/53/92/08/835539208.db2.gz HKCKHBAOKNOCJF-XMMPIXPASA-N 2 1 387.612 3.640 50 0 GHAAMP Cc1c(C[N@H+](C)[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)[nH]c2ccccc12 ZINC000023580575 836470930 /nfs/dbraw/zinc/47/09/30/836470930.db2.gz YVOSCZYLPVIBMD-PKTZIBPZSA-N 2 1 375.516 3.645 50 0 GHAAMP C[N@H+]1CCC[C@@H](CNC(=O)N2C[C@@H]([NH3+])C[C@H]2c2ccccc2)[C@@H]1c1cccs1 ZINC000952852382 904629360 /nfs/dbraw/zinc/62/93/60/904629360.db2.gz HJTFZFIJOCEELA-VNYTWHDVSA-N 2 1 398.576 3.615 50 0 GHAAMP c1ccc(CC[N@@H+]2CCC[C@H](C[NH2+]Cc3cnc(-c4ccccn4)nc3)C2)cc1 ZINC000952976434 904655806 /nfs/dbraw/zinc/65/58/06/904655806.db2.gz ZJFNLUABLWFTQX-OAQYLSRUSA-N 2 1 387.531 3.583 50 0 GHAAMP c1ccc(CC[N@H+]2CCC[C@H](C[NH2+]Cc3cnc(-c4ccccn4)nc3)C2)cc1 ZINC000952976434 904655814 /nfs/dbraw/zinc/65/58/14/904655814.db2.gz ZJFNLUABLWFTQX-OAQYLSRUSA-N 2 1 387.531 3.583 50 0 GHAAMP CCC[N@@H+](Cc1ccc2c[nH]nc2c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000126510267 916520188 /nfs/dbraw/zinc/52/01/88/916520188.db2.gz VRKHTEVUXKRDQS-UHFFFAOYSA-N 2 1 378.524 3.851 50 0 GHAAMP CCC[N@H+](Cc1ccc2c[nH]nc2c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000126510267 916520201 /nfs/dbraw/zinc/52/02/01/916520201.db2.gz VRKHTEVUXKRDQS-UHFFFAOYSA-N 2 1 378.524 3.851 50 0 GHAAMP CCC[N@@H+](Cc1ccc2c[nH]nc2c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000126510267 916520207 /nfs/dbraw/zinc/52/02/07/916520207.db2.gz VRKHTEVUXKRDQS-UHFFFAOYSA-N 2 1 378.524 3.851 50 0 GHAAMP CCCn1ncc(C[N@@H+](CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)c1C ZINC000014949372 919347058 /nfs/dbraw/zinc/34/70/58/919347058.db2.gz PYWOGJVJDYOGSD-UHFFFAOYSA-N 2 1 398.595 3.997 50 0 GHAAMP C[N@H+](Cc1ccc2c[nH]nc2c1)[C@@H]1CCC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000660124832 930490496 /nfs/dbraw/zinc/49/04/96/930490496.db2.gz KXQKQJJQGJOUDF-OAQYLSRUSA-N 2 1 388.519 3.926 50 0 GHAAMP C[N@@H+](Cc1ccc2c[nH]nc2c1)[C@@H]1CCC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000660124832 930490505 /nfs/dbraw/zinc/49/05/05/930490505.db2.gz KXQKQJJQGJOUDF-OAQYLSRUSA-N 2 1 388.519 3.926 50 0 GHAAMP C[NH+](Cc1ccc2c[nH]nc2c1)[C@@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000660124832 930490509 /nfs/dbraw/zinc/49/05/09/930490509.db2.gz KXQKQJJQGJOUDF-OAQYLSRUSA-N 2 1 388.519 3.926 50 0 GHAAMP C[NH+](Cc1ccc2c[nH]nc2c1)[C@@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000660124832 930490515 /nfs/dbraw/zinc/49/05/15/930490515.db2.gz KXQKQJJQGJOUDF-OAQYLSRUSA-N 2 1 388.519 3.926 50 0 GHAAMP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000011767740 204352914 /nfs/dbraw/zinc/35/29/14/204352914.db2.gz MYXZFMCCSGUWPV-FQEVSTJZSA-N 2 1 379.548 3.606 50 0 GHAAMP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000011767740 204352916 /nfs/dbraw/zinc/35/29/16/204352916.db2.gz MYXZFMCCSGUWPV-FQEVSTJZSA-N 2 1 379.548 3.606 50 0 GHAAMP CCOc1ccc(C[N@H+]2CCN(c3cc[nH+]c4ccccc43)C[C@@H]2CCO)cc1 ZINC000072424116 136169898 /nfs/dbraw/zinc/16/98/98/136169898.db2.gz LADXQJDNSIPFQP-FQEVSTJZSA-N 2 1 391.515 3.707 50 0 GHAAMP Cn1c(C[NH+]2CCCCCC2)nnc1C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000096150165 570214909 /nfs/dbraw/zinc/21/49/09/570214909.db2.gz NMXOPCAZZYTBJM-UHFFFAOYSA-N 2 1 385.531 3.710 50 0 GHAAMP C[N@@H+](C[C@H]1CCOC1)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000095528887 571092000 /nfs/dbraw/zinc/09/20/00/571092000.db2.gz VDJACOJFQRZQCO-LJQANCHMSA-N 2 1 384.486 3.928 50 0 GHAAMP OCC[C@H]1CN(Cc2ccc(C[NH+]3CCCCC3)s2)CC[N@H+]1C1CCCC1 ZINC000023358160 836726794 /nfs/dbraw/zinc/72/67/94/836726794.db2.gz ILCPCKAVBLMKJW-FQEVSTJZSA-N 2 1 391.625 3.545 50 0 GHAAMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000179394742 858794001 /nfs/dbraw/zinc/79/40/01/858794001.db2.gz ZMRZTPKLUOAHKY-JOCHJYFZSA-N 2 1 396.510 3.565 50 0 GHAAMP CCn1ncc(C[N@@H+]2CC[C@H](Cc3[nH+]cc(C)n3Cc3ccccc3)C2)c1C ZINC000581805803 870026880 /nfs/dbraw/zinc/02/68/80/870026880.db2.gz GDIOANCYENQTSC-OAQYLSRUSA-N 2 1 377.536 3.829 50 0 GHAAMP CCn1ncc(C[N@H+]2CC[C@H](Cc3[nH+]cc(C)n3Cc3ccccc3)C2)c1C ZINC000581805803 870026896 /nfs/dbraw/zinc/02/68/96/870026896.db2.gz GDIOANCYENQTSC-OAQYLSRUSA-N 2 1 377.536 3.829 50 0 GHAAMP C[NH2+]CCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000057387119 205156478 /nfs/dbraw/zinc/15/64/78/205156478.db2.gz RAYZFBNKPXDRIQ-UHFFFAOYSA-N 2 1 393.325 3.736 50 0 GHAAMP CC(C)(C)CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071771015 205296540 /nfs/dbraw/zinc/29/65/40/205296540.db2.gz ROSKDYLSIRIBON-NRFANRHFSA-N 2 1 385.596 3.568 50 0 GHAAMP CC(C)(C)CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071771015 205296543 /nfs/dbraw/zinc/29/65/43/205296543.db2.gz ROSKDYLSIRIBON-NRFANRHFSA-N 2 1 385.596 3.568 50 0 GHAAMP CC(C)[NH2+][C@@H]1CC[C@@H]1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000072167969 205314772 /nfs/dbraw/zinc/31/47/72/205314772.db2.gz YQDYQCPMTSDIMX-PKTZIBPZSA-N 2 1 377.532 3.504 50 0 GHAAMP Cc1cc(C)c(C[N@@H+](Cc2ccccn2)C2CC2)cc1CN1CC[NH+](C)CC1 ZINC000216229065 570297351 /nfs/dbraw/zinc/29/73/51/570297351.db2.gz PFTDVHNCCMJHRY-UHFFFAOYSA-N 2 1 378.564 3.610 50 0 GHAAMP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)cc1 ZINC000012444742 570665719 /nfs/dbraw/zinc/66/57/19/570665719.db2.gz QYUJVROBMGMRGT-QHCPKHFHSA-N 2 1 380.536 3.783 50 0 GHAAMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)cc1 ZINC000012444742 570665722 /nfs/dbraw/zinc/66/57/22/570665722.db2.gz QYUJVROBMGMRGT-QHCPKHFHSA-N 2 1 380.536 3.783 50 0 GHAAMP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cc1 ZINC000012444742 570665726 /nfs/dbraw/zinc/66/57/26/570665726.db2.gz QYUJVROBMGMRGT-QHCPKHFHSA-N 2 1 380.536 3.783 50 0 GHAAMP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)cc1 ZINC000012444742 570665729 /nfs/dbraw/zinc/66/57/29/570665729.db2.gz QYUJVROBMGMRGT-QHCPKHFHSA-N 2 1 380.536 3.783 50 0 GHAAMP Cc1ccc([C@@H](C)CC[NH+]2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)o1 ZINC000012757205 570710239 /nfs/dbraw/zinc/71/02/39/570710239.db2.gz ATCBFPXMNGCMIQ-KRWDZBQOSA-N 2 1 387.568 3.537 50 0 GHAAMP C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000014957692 570866213 /nfs/dbraw/zinc/86/62/13/570866213.db2.gz CTJNUQULCGVKJJ-JOCHJYFZSA-N 2 1 386.511 3.683 50 0 GHAAMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000089904812 570919246 /nfs/dbraw/zinc/91/92/46/570919246.db2.gz ISDVVXGHEAQOSG-MAUKXSAKSA-N 2 1 385.474 3.747 50 0 GHAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000106125963 570948932 /nfs/dbraw/zinc/94/89/32/570948932.db2.gz YCDCRNJTXIJYFS-LJQANCHMSA-N 2 1 392.547 3.526 50 0 GHAAMP O=C(NC1CCCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000019229570 570964943 /nfs/dbraw/zinc/96/49/43/570964943.db2.gz XVGRSJYBZFHBKN-QFIPXVFZSA-N 2 1 397.607 3.854 50 0 GHAAMP O=C(NC1CCCCC1)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000019229570 570964954 /nfs/dbraw/zinc/96/49/54/570964954.db2.gz XVGRSJYBZFHBKN-QFIPXVFZSA-N 2 1 397.607 3.854 50 0 GHAAMP Cc1[nH+]ccn1[C@@H]1c2ccccc2C2(CC[NH+](Cc3cccs3)CC2)[C@H]1O ZINC000019642453 571022857 /nfs/dbraw/zinc/02/28/57/571022857.db2.gz MTROUSCZZBRCAI-RTWAWAEBSA-N 2 1 379.529 3.751 50 0 GHAAMP Cc1nnc([C@@H]2C[N@H+](CC(C)C)CC23CC[NH+](CCOc2ccccc2)CC3)o1 ZINC000675015013 840883938 /nfs/dbraw/zinc/88/39/38/840883938.db2.gz RVEVEVXWDHHXEZ-NRFANRHFSA-N 2 1 398.551 3.594 50 0 GHAAMP Cc1ccsc1C[N@@H+]1CCC[C@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000012431471 862338975 /nfs/dbraw/zinc/33/89/75/862338975.db2.gz JSIIKCGTOAOKDB-GOSISDBHSA-N 2 1 377.598 3.601 50 0 GHAAMP C[C@H]1CCC[N@H+](CCOc2ccccc2C[NH+]2CCN(c3cccnc3)CC2)C1 ZINC000822413186 862711456 /nfs/dbraw/zinc/71/14/56/862711456.db2.gz RPXXCPUVEFVAQQ-NRFANRHFSA-N 2 1 394.563 3.515 50 0 GHAAMP C[C@H]1CCC[N@@H+](CCOc2ccccc2C[NH+]2CCN(c3cccnc3)CC2)C1 ZINC000822413186 862711464 /nfs/dbraw/zinc/71/14/64/862711464.db2.gz RPXXCPUVEFVAQQ-NRFANRHFSA-N 2 1 394.563 3.515 50 0 GHAAMP O=C(NCc1ccccc1)[C@H]1CCC[N@H+](C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000014976380 919352390 /nfs/dbraw/zinc/35/23/90/919352390.db2.gz WRKDTFJERUMZPH-NRFANRHFSA-N 2 1 383.580 3.812 50 0 GHAAMP COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000006787586 204205758 /nfs/dbraw/zinc/20/57/58/204205758.db2.gz LPSZLGKSUSHCHR-SFHVURJKSA-N 2 1 381.520 3.667 50 0 GHAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3c3cccs3)cc2)CC1 ZINC000008165672 204264666 /nfs/dbraw/zinc/26/46/66/204264666.db2.gz KGIDAMYGLXBYLK-HXUWFJFHSA-N 2 1 398.576 3.666 50 0 GHAAMP CN(Cc1ccccc1C[NH+](C)C)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299784584 206189522 /nfs/dbraw/zinc/18/95/22/206189522.db2.gz UJKMNVPLBMERID-VXNXHJTFSA-N 2 1 391.559 3.932 50 0 GHAAMP O[C@]1(c2ccccc2)CC[N@@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C1 ZINC000216144410 570296239 /nfs/dbraw/zinc/29/62/39/570296239.db2.gz UUAHIIMVNKLIJT-XMMPIXPASA-N 2 1 380.532 3.645 50 0 GHAAMP O[C@H](COc1cccc(C[N@H+]2CCc3ccccc3C2)c1)C[NH+]1CCCCCC1 ZINC000014973409 570380246 /nfs/dbraw/zinc/38/02/46/570380246.db2.gz UMJUMTAACZAQPP-DEOSSOPVSA-N 2 1 394.559 3.861 50 0 GHAAMP CC[N@H+](CCCn1cccn1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012706041 570700540 /nfs/dbraw/zinc/70/05/40/570700540.db2.gz CLHLUBHFBMEXNC-JOCHJYFZSA-N 2 1 384.568 3.558 50 0 GHAAMP CC[N@@H+](CCCn1cccn1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012706041 570700541 /nfs/dbraw/zinc/70/05/41/570700541.db2.gz CLHLUBHFBMEXNC-JOCHJYFZSA-N 2 1 384.568 3.558 50 0 GHAAMP CC[NH+](CCCn1cccn1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012706041 570700543 /nfs/dbraw/zinc/70/05/43/570700543.db2.gz CLHLUBHFBMEXNC-JOCHJYFZSA-N 2 1 384.568 3.558 50 0 GHAAMP CC[NH+](CCCn1cccn1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012706041 570700545 /nfs/dbraw/zinc/70/05/45/570700545.db2.gz CLHLUBHFBMEXNC-JOCHJYFZSA-N 2 1 384.568 3.558 50 0 GHAAMP CC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000014972671 570868094 /nfs/dbraw/zinc/86/80/94/570868094.db2.gz CEVYRYPKPIBVKB-QHCPKHFHSA-N 2 1 397.607 3.664 50 0 GHAAMP CC1CCN(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000014972671 570868095 /nfs/dbraw/zinc/86/80/95/570868095.db2.gz CEVYRYPKPIBVKB-QHCPKHFHSA-N 2 1 397.607 3.664 50 0 GHAAMP CC[N@H+](Cc1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)cc1)C[C@H]1CC[NH+](C)C1 ZINC000023368047 836798950 /nfs/dbraw/zinc/79/89/50/836798950.db2.gz OJEGURQSKLKRGL-IBGZPJMESA-N 2 1 394.563 3.868 50 0 GHAAMP CC[NH+](Cc1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000023368047 836798957 /nfs/dbraw/zinc/79/89/57/836798957.db2.gz OJEGURQSKLKRGL-IBGZPJMESA-N 2 1 394.563 3.868 50 0 GHAAMP CC[NH+](Cc1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000023368047 836798963 /nfs/dbraw/zinc/79/89/63/836798963.db2.gz OJEGURQSKLKRGL-IBGZPJMESA-N 2 1 394.563 3.868 50 0 GHAAMP CN(C(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000230237256 861750945 /nfs/dbraw/zinc/75/09/45/861750945.db2.gz XXWRUWGTPKPTDN-GMKZXUHWSA-N 2 1 391.559 3.930 50 0 GHAAMP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCC2)c1C ZINC000058160755 862381454 /nfs/dbraw/zinc/38/14/54/862381454.db2.gz QNZUVWNYVVPSPM-KRWDZBQOSA-N 2 1 381.520 3.791 50 0 GHAAMP O[C@@H]1C[N@@H+](C2CCN(c3cccc(Cl)c3)CC2)CC[C@H]1[NH+]1CCCCCC1 ZINC000012307801 859190817 /nfs/dbraw/zinc/19/08/17/859190817.db2.gz SPYKFFVGLJIQET-FGZHOGPDSA-N 2 1 391.987 3.620 50 0 GHAAMP O[C@@H]1C[N@H+](C2CCN(c3cccc(Cl)c3)CC2)CC[C@H]1[NH+]1CCCCCC1 ZINC000012307801 859190821 /nfs/dbraw/zinc/19/08/21/859190821.db2.gz SPYKFFVGLJIQET-FGZHOGPDSA-N 2 1 391.987 3.620 50 0 GHAAMP COc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cc(OC)c1O ZINC000012583372 859437725 /nfs/dbraw/zinc/43/77/25/859437725.db2.gz XDFPWNQFSBPESS-UHFFFAOYSA-N 2 1 388.508 3.655 50 0 GHAAMP O[C@H](COc1cccc(C[NH2+]C2CCCC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000012760282 859562865 /nfs/dbraw/zinc/56/28/65/859562865.db2.gz FLMRMYVIIGZJSM-QHCPKHFHSA-N 2 1 380.532 3.517 50 0 GHAAMP C[C@H](c1ccc2c(c1)OCCO2)[N@@H+](C)Cc1ccc(OCCn2ccnc2)cc1 ZINC000952979565 904659689 /nfs/dbraw/zinc/65/96/89/904659689.db2.gz JIUGOUPKUXOEAQ-GOSISDBHSA-N 2 1 393.487 3.926 50 0 GHAAMP Cc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000004700231 204065655 /nfs/dbraw/zinc/06/56/55/204065655.db2.gz LXJCKRMQZJKUMA-UHFFFAOYSA-N 2 1 391.559 3.551 50 0 GHAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)CC1 ZINC000012302005 204391854 /nfs/dbraw/zinc/39/18/54/204391854.db2.gz BCAQBEOQWVHTHX-NRFANRHFSA-N 2 1 385.596 3.664 50 0 GHAAMP OCc1ccc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000012306156 204394318 /nfs/dbraw/zinc/39/43/18/204394318.db2.gz BMPJUASNBRDAEN-UHFFFAOYSA-N 2 1 383.536 3.824 50 0 GHAAMP OCc1ccc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000012306156 204394323 /nfs/dbraw/zinc/39/43/23/204394323.db2.gz BMPJUASNBRDAEN-UHFFFAOYSA-N 2 1 383.536 3.824 50 0 GHAAMP CSc1ccc2c(c1)CC[N@@H+]([C@@H]1c3ccccc3C3(CC[NH2+]CC3)[C@H]1O)C2 ZINC000064166776 205188172 /nfs/dbraw/zinc/18/81/72/205188172.db2.gz XMBJBUCWBQRFJR-YADHBBJMSA-N 2 1 380.557 3.504 50 0 GHAAMP CC(C)(C)CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071771013 205298078 /nfs/dbraw/zinc/29/80/78/205298078.db2.gz ROSKDYLSIRIBON-OAQYLSRUSA-N 2 1 385.596 3.568 50 0 GHAAMP CC(C)(C)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071771013 205298081 /nfs/dbraw/zinc/29/80/81/205298081.db2.gz ROSKDYLSIRIBON-OAQYLSRUSA-N 2 1 385.596 3.568 50 0 GHAAMP COc1cc(C[NH2+]C2CCCC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011815230 221127691 /nfs/dbraw/zinc/12/76/91/221127691.db2.gz BCVDODJZOAEKHH-NRFANRHFSA-N 2 1 390.568 3.732 50 0 GHAAMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)Cc2ccccc2C[NH+]2CCCC2)C1 ZINC000426620015 529010580 /nfs/dbraw/zinc/01/05/80/529010580.db2.gz JPEXPSVVBTWGAQ-FQEVSTJZSA-N 2 1 386.584 3.544 50 0 GHAAMP CCc1[nH+]ccn1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000020540155 570266829 /nfs/dbraw/zinc/26/68/29/570266829.db2.gz MAEUOEWEHFYQOY-QHCPKHFHSA-N 2 1 386.584 3.730 50 0 GHAAMP CCc1[nH+]ccn1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000020540155 570266831 /nfs/dbraw/zinc/26/68/31/570266831.db2.gz MAEUOEWEHFYQOY-QHCPKHFHSA-N 2 1 386.584 3.730 50 0 GHAAMP O=C(CCC1CC[NH+](Cc2ccoc2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012057726 570603087 /nfs/dbraw/zinc/60/30/87/570603087.db2.gz DJUXLJCNUBTWFP-QHCPKHFHSA-N 2 1 395.547 3.663 50 0 GHAAMP CCNc1ncc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)cn1 ZINC000091351218 571004530 /nfs/dbraw/zinc/00/45/30/571004530.db2.gz IGSKFHQVSTXWOL-NRFANRHFSA-N 2 1 379.552 3.610 50 0 GHAAMP COCC[N@@H+](C)C[C@@H]1C[NH+](Cc2cccc3c4ccccc4sc32)C[C@@H]1CO ZINC000091462312 571009271 /nfs/dbraw/zinc/00/92/71/571009271.db2.gz NAZMPTADPFGDAC-RTBURBONSA-N 2 1 398.572 3.673 50 0 GHAAMP CC1=CC[NH+](Cc2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000095502095 571076736 /nfs/dbraw/zinc/07/67/36/571076736.db2.gz JTFJPFVDVWOWCP-HSZRJFAPSA-N 2 1 380.532 3.710 50 0 GHAAMP CC1=CC[N@H+](Cc2ccc(OC[C@H](O)C[NH+](C)Cc3ccccc3)cc2)CC1 ZINC000095502095 571076738 /nfs/dbraw/zinc/07/67/38/571076738.db2.gz JTFJPFVDVWOWCP-HSZRJFAPSA-N 2 1 380.532 3.710 50 0 GHAAMP CC1=CC[N@@H+](Cc2ccc(OC[C@H](O)C[NH+](C)Cc3ccccc3)cc2)CC1 ZINC000095502095 571076740 /nfs/dbraw/zinc/07/67/40/571076740.db2.gz JTFJPFVDVWOWCP-HSZRJFAPSA-N 2 1 380.532 3.710 50 0 GHAAMP CCc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)C2)on1 ZINC000095515351 571083431 /nfs/dbraw/zinc/08/34/31/571083431.db2.gz UFYQRJHRRZNJDG-KRWDZBQOSA-N 2 1 393.491 3.582 50 0 GHAAMP CCc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)C2)on1 ZINC000095515351 571083434 /nfs/dbraw/zinc/08/34/34/571083434.db2.gz UFYQRJHRRZNJDG-KRWDZBQOSA-N 2 1 393.491 3.582 50 0 GHAAMP CC(C)C[N@@H+]1CCc2nc[nH]c2[C@H]1C1CC[NH+](CCOc2ccccc2)CC1 ZINC000675012578 840864405 /nfs/dbraw/zinc/86/44/05/840864405.db2.gz ONPSAGKCTDFAKT-HSZRJFAPSA-N 2 1 382.552 3.756 50 0 GHAAMP CC(C)C[N@H+]1CCc2nc[nH]c2[C@H]1C1CC[NH+](CCOc2ccccc2)CC1 ZINC000675012578 840864414 /nfs/dbraw/zinc/86/44/14/840864414.db2.gz ONPSAGKCTDFAKT-HSZRJFAPSA-N 2 1 382.552 3.756 50 0 GHAAMP CC(C)C[N@@H+]1CCc2nc[nH]c2[C@@H]1C1CC[NH+](CCOc2ccccc2)CC1 ZINC000675012579 840864815 /nfs/dbraw/zinc/86/48/15/840864815.db2.gz ONPSAGKCTDFAKT-QHCPKHFHSA-N 2 1 382.552 3.756 50 0 GHAAMP CC(C)C[N@H+]1CCc2nc[nH]c2[C@@H]1C1CC[NH+](CCOc2ccccc2)CC1 ZINC000675012579 840864824 /nfs/dbraw/zinc/86/48/24/840864824.db2.gz ONPSAGKCTDFAKT-QHCPKHFHSA-N 2 1 382.552 3.756 50 0 GHAAMP CC[NH+](CC)CCOc1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000253370759 854955082 /nfs/dbraw/zinc/95/50/82/854955082.db2.gz VPQMXCCVQTYPNG-UEVCKROQSA-N 2 1 389.584 3.709 50 0 GHAAMP COc1ccc(C[N@@H+]2CC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)cc1Cn1cccn1 ZINC000575548101 866187764 /nfs/dbraw/zinc/18/77/64/866187764.db2.gz GQDRLFOFWCPCHT-OAQYLSRUSA-N 2 1 391.519 3.769 50 0 GHAAMP COc1ccc(C[N@H+]2CC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)cc1Cn1cccn1 ZINC000575548101 866187770 /nfs/dbraw/zinc/18/77/70/866187770.db2.gz GQDRLFOFWCPCHT-OAQYLSRUSA-N 2 1 391.519 3.769 50 0 GHAAMP COc1ccc(C[N@@H+]2CC[C@H](n3c(C)c[nH+]c3C3CC3)C2)cc1Cn1cccn1 ZINC000575548098 866187834 /nfs/dbraw/zinc/18/78/34/866187834.db2.gz GQDRLFOFWCPCHT-NRFANRHFSA-N 2 1 391.519 3.769 50 0 GHAAMP COc1ccc(C[N@H+]2CC[C@H](n3c(C)c[nH+]c3C3CC3)C2)cc1Cn1cccn1 ZINC000575548098 866187841 /nfs/dbraw/zinc/18/78/41/866187841.db2.gz GQDRLFOFWCPCHT-NRFANRHFSA-N 2 1 391.519 3.769 50 0 GHAAMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc(OC)c2F)CC1 ZINC000192679906 904340734 /nfs/dbraw/zinc/34/07/34/904340734.db2.gz NMWZOABOQHTOFY-MRXNPFEDSA-N 2 1 389.490 3.966 50 0 GHAAMP CC(C)CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011766827 204352984 /nfs/dbraw/zinc/35/29/84/204352984.db2.gz RNMOQYZSPXKIQB-QFIPXVFZSA-N 2 1 385.596 3.868 50 0 GHAAMP CC(C)CCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011766827 204352988 /nfs/dbraw/zinc/35/29/88/204352988.db2.gz RNMOQYZSPXKIQB-QFIPXVFZSA-N 2 1 385.596 3.868 50 0 GHAAMP COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000011841112 204357227 /nfs/dbraw/zinc/35/72/27/204357227.db2.gz KPYYQKSWVUXFKY-UHFFFAOYSA-N 2 1 394.494 3.871 50 0 GHAAMP COc1cc(F)ccc1C[N@H+]1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012307748 204392429 /nfs/dbraw/zinc/39/24/29/204392429.db2.gz FJQFSQVHKISKLZ-FQEVSTJZSA-N 2 1 383.511 3.963 50 0 GHAAMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000058297834 205171561 /nfs/dbraw/zinc/17/15/61/205171561.db2.gz OYADPGZGTKXMOQ-XMMPIXPASA-N 2 1 391.559 3.850 50 0 GHAAMP Cc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c2ccccc2[nH+]1 ZINC000071575371 205286073 /nfs/dbraw/zinc/28/60/73/205286073.db2.gz ZRTGJSWDYTWLLQ-GOSISDBHSA-N 2 1 392.547 3.503 50 0 GHAAMP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000095524296 136181377 /nfs/dbraw/zinc/18/13/77/136181377.db2.gz LZYHQSBJYIOQRU-HNNXBMFYSA-N 2 1 381.446 3.633 50 0 GHAAMP C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H](c2ccccc2)C1 ZINC000030030802 570485799 /nfs/dbraw/zinc/48/57/99/570485799.db2.gz JXAMDACGUFRPMN-QHCPKHFHSA-N 2 1 377.532 3.801 50 0 GHAAMP C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H](c2ccccc2)C1 ZINC000030030802 570485803 /nfs/dbraw/zinc/48/58/03/570485803.db2.gz JXAMDACGUFRPMN-QHCPKHFHSA-N 2 1 377.532 3.801 50 0 GHAAMP CC1(C(=O)N(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC000015065422 570875818 /nfs/dbraw/zinc/87/58/18/570875818.db2.gz MZPUQPMZRBQFTL-HXUWFJFHSA-N 2 1 375.601 3.756 50 0 GHAAMP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3ccccc3-c3ccco3)C2)CC1 ZINC000015078538 570878805 /nfs/dbraw/zinc/87/88/05/570878805.db2.gz KYSNWKSOMJGGHD-FQEVSTJZSA-N 2 1 395.547 3.713 50 0 GHAAMP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+](Cc3ccccc3-c3ccco3)C2)CC1 ZINC000015078538 570878807 /nfs/dbraw/zinc/87/88/07/570878807.db2.gz KYSNWKSOMJGGHD-FQEVSTJZSA-N 2 1 395.547 3.713 50 0 GHAAMP C[N@@H+](Cc1ccccc1)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000012702493 570966427 /nfs/dbraw/zinc/96/64/27/570966427.db2.gz ZLOHYVPNVQFBBM-QHCPKHFHSA-N 2 1 382.548 3.934 50 0 GHAAMP C[N@@H+](C[C@@H](O)COc1cccc(C[NH+]2CCC(F)(F)CC2)c1)C1CCCCC1 ZINC000095527312 571091615 /nfs/dbraw/zinc/09/16/15/571091615.db2.gz AEFWPCVLDDHPGN-HXUWFJFHSA-N 2 1 396.522 3.922 50 0 GHAAMP Cc1ccc(-c2cccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2)c(N)[nH+]1 ZINC000426657044 231249836 /nfs/dbraw/zinc/24/98/36/231249836.db2.gz WEKQYTSZRVFCJS-UHFFFAOYSA-N 2 1 378.520 3.730 50 0 GHAAMP Cc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)C2)s1 ZINC000077011120 205356785 /nfs/dbraw/zinc/35/67/85/205356785.db2.gz MUCAQJRJCNPXTN-QGZVFWFLSA-N 2 1 395.532 3.796 50 0 GHAAMP Cc1ncc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)C2)s1 ZINC000077011120 205356788 /nfs/dbraw/zinc/35/67/88/205356788.db2.gz MUCAQJRJCNPXTN-QGZVFWFLSA-N 2 1 395.532 3.796 50 0 GHAAMP Cc1[nH+]c(N)ccc1-c1cccc(C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)c1 ZINC000426435340 533594492 /nfs/dbraw/zinc/59/44/92/533594492.db2.gz HHZWDRUFQAUMJG-FQEVSTJZSA-N 2 1 378.520 3.560 50 0 GHAAMP C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000012710196 570702079 /nfs/dbraw/zinc/70/20/79/570702079.db2.gz STUHIBFYWDTVLN-QHCPKHFHSA-N 2 1 382.548 3.981 50 0 GHAAMP O=C(NC1CC1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014743213 570858503 /nfs/dbraw/zinc/85/85/03/570858503.db2.gz VKYLKYORNGJEOU-NFBKMPQASA-N 2 1 391.559 3.652 50 0 GHAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)C1CCCC1 ZINC000095501800 571076778 /nfs/dbraw/zinc/07/67/78/571076778.db2.gz JMZPUDKDJTYKIP-IBGZPJMESA-N 2 1 389.559 3.618 50 0 GHAAMP C[N@@H+](C[C@@H](O)COc1ccccc1C[NH+]1CCC(F)(F)CC1)C1CCCCC1 ZINC000095516378 571083953 /nfs/dbraw/zinc/08/39/53/571083953.db2.gz BGSRLJQBWRCEAO-HXUWFJFHSA-N 2 1 396.522 3.922 50 0 GHAAMP O=C(c1ccc[nH]1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095518885 571085556 /nfs/dbraw/zinc/08/55/56/571085556.db2.gz PGZNMKHQBCASBH-FQEVSTJZSA-N 2 1 386.584 3.597 50 0 GHAAMP COCC[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(F)c1)Cc1ccccc1O2 ZINC000257193846 838978358 /nfs/dbraw/zinc/97/83/58/838978358.db2.gz SASRIZLOAMDTIN-UHFFFAOYSA-N 2 1 384.495 3.701 50 0 GHAAMP C[N@@H+](CCc1ccccc1)[C@H]1CCCN(C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000019741948 839830808 /nfs/dbraw/zinc/83/08/08/839830808.db2.gz FMYFFRSEYGPAEA-QHCPKHFHSA-N 2 1 381.564 3.883 50 0 GHAAMP CC[NH+](CC)CCOc1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000253370761 854955105 /nfs/dbraw/zinc/95/51/05/854955105.db2.gz VPQMXCCVQTYPNG-WWPVKYPJSA-N 2 1 389.584 3.709 50 0 GHAAMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1([NH+]2CCCC2)CCCCC1 ZINC000827661248 865058675 /nfs/dbraw/zinc/05/86/75/865058675.db2.gz NMLOUVHPIKDPTP-JOCHJYFZSA-N 2 1 383.580 3.814 50 0 GHAAMP CC(C)c1ccc(C[N@@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)cc1 ZINC000055225061 924038292 /nfs/dbraw/zinc/03/82/92/924038292.db2.gz MOZQKHLNAOLISV-DEOSSOPVSA-N 2 1 382.548 3.974 50 0 GHAAMP CC(C)c1ccc(C[N@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)cc1 ZINC000055225061 924038302 /nfs/dbraw/zinc/03/83/02/924038302.db2.gz MOZQKHLNAOLISV-DEOSSOPVSA-N 2 1 382.548 3.974 50 0 GHAAMP c1nn2cc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)cnc2c1-c1ccccc1 ZINC000067742591 926359826 /nfs/dbraw/zinc/35/98/26/926359826.db2.gz HFGSJHNDUIZLHY-UHFFFAOYSA-N 2 1 384.487 3.504 50 0 GHAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3nc(-c4ccccc4)no3)CC2)o1 ZINC000014972423 207037410 /nfs/dbraw/zinc/03/74/10/207037410.db2.gz CDKNWKIRBXDUHP-UHFFFAOYSA-N 2 1 380.492 3.982 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)CC1 ZINC000020920758 207220274 /nfs/dbraw/zinc/22/02/74/207220274.db2.gz CHFPQOJYMMPMRG-HXUWFJFHSA-N 2 1 397.607 3.930 50 0 GHAAMP O[C@H](COc1ccc(C[NH2+]C2CCCC2)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000023145839 207270839 /nfs/dbraw/zinc/27/08/39/207270839.db2.gz ZQXFYNQSSRJUNK-QHCPKHFHSA-N 2 1 380.532 3.517 50 0 GHAAMP O=C(NC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)Nc1cccc(F)c1 ZINC000084372621 208089621 /nfs/dbraw/zinc/08/96/21/208089621.db2.gz AEJXMCBETMYRDC-GOSISDBHSA-N 2 1 376.520 3.535 50 0 GHAAMP Cc1noc(C[N@H+](C)CC2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000095516793 208216704 /nfs/dbraw/zinc/21/67/04/208216704.db2.gz PMBBCWSIPXUIRA-UHFFFAOYSA-N 2 1 396.457 3.783 50 0 GHAAMP Cc1noc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000095516793 208216711 /nfs/dbraw/zinc/21/67/11/208216711.db2.gz PMBBCWSIPXUIRA-UHFFFAOYSA-N 2 1 396.457 3.783 50 0 GHAAMP Cc1ccc(C[N@@H+]2CCC3(CC[NH+](C(C)C)CC3)[C@@H](CO)C2)c2cccnc12 ZINC000097785637 208363303 /nfs/dbraw/zinc/36/33/03/208363303.db2.gz RQQJCARAKWWXGS-OAQYLSRUSA-N 2 1 381.564 3.848 50 0 GHAAMP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]c4c(C)cc(C)cc34)C[C@@H]2CCO)o1 ZINC000072476463 136171351 /nfs/dbraw/zinc/17/13/51/136171351.db2.gz ZFXIGXJBYGBZON-IBGZPJMESA-N 2 1 379.504 3.826 50 0 GHAAMP O[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C1 ZINC000216144368 570296262 /nfs/dbraw/zinc/29/62/62/570296262.db2.gz UUAHIIMVNKLIJT-DEOSSOPVSA-N 2 1 380.532 3.645 50 0 GHAAMP C[NH+](C)C[C@H](O)COc1ccc(C[N@@H+](C)Cc2ccccc2C(F)(F)F)cc1 ZINC000011753749 570580913 /nfs/dbraw/zinc/58/09/13/570580913.db2.gz NKOBIKYJICSBCM-SFHVURJKSA-N 2 1 396.453 3.639 50 0 GHAAMP C[NH+](C[C@H](O)COc1cccc(C[N@H+](C)Cc2ccccn2)c1)C1CCCCC1 ZINC000012304664 570638216 /nfs/dbraw/zinc/63/82/16/570638216.db2.gz JBLOFZPWZSBROJ-QHCPKHFHSA-N 2 1 397.563 3.718 50 0 GHAAMP C[NH+](Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1)Cc1ccccn1 ZINC000012304664 570638218 /nfs/dbraw/zinc/63/82/18/570638218.db2.gz JBLOFZPWZSBROJ-QHCPKHFHSA-N 2 1 397.563 3.718 50 0 GHAAMP C[NH+](Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1)Cc1ccccn1 ZINC000012304664 570638220 /nfs/dbraw/zinc/63/82/20/570638220.db2.gz JBLOFZPWZSBROJ-QHCPKHFHSA-N 2 1 397.563 3.718 50 0 GHAAMP CCC[NH+]1CCC([N@H+]2CCC[C@H](Cn3c(C)cnc3-c3ccncc3)C2)CC1 ZINC000581807369 837680299 /nfs/dbraw/zinc/68/02/99/837680299.db2.gz IGICMMIKBYHKQQ-FQEVSTJZSA-N 2 1 381.568 3.840 50 0 GHAAMP C[N@H+](Cc1ccc2nonc2c1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012072650 858803987 /nfs/dbraw/zinc/80/39/87/858803987.db2.gz JDDLHDOUPFCSRX-UHFFFAOYSA-N 2 1 382.483 3.748 50 0 GHAAMP C[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2-c2ccccc2)CC1 ZINC000823783433 863203319 /nfs/dbraw/zinc/20/33/19/863203319.db2.gz UAACEXSATWZAMT-DEOSSOPVSA-N 2 1 391.559 3.776 50 0 GHAAMP C[N@H+]1CCC[C@H](CNC(=O)N2C[C@@H]([NH3+])C[C@H]2c2ccccc2)[C@@H]1c1cccs1 ZINC000952852383 904629878 /nfs/dbraw/zinc/62/98/78/904629878.db2.gz HJTFZFIJOCEELA-XODKDNOYSA-N 2 1 398.576 3.615 50 0 GHAAMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CCc3scnc3C)CC2)c1C ZINC000091708812 911222314 /nfs/dbraw/zinc/22/23/14/911222314.db2.gz LVCXASURSBPLMD-UHFFFAOYSA-N 2 1 388.581 3.611 50 0 GHAAMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CCc3scnc3C)CC2)c1C ZINC000091708812 911222322 /nfs/dbraw/zinc/22/23/22/911222322.db2.gz LVCXASURSBPLMD-UHFFFAOYSA-N 2 1 388.581 3.611 50 0 GHAAMP COCC[NH+]1CCC(C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@H]2CCCO2)CC1 ZINC000012716091 919299833 /nfs/dbraw/zinc/29/98/33/919299833.db2.gz HFDFXOXRDLTTAP-LJQANCHMSA-N 2 1 398.950 3.819 50 0 GHAAMP CN(C1CC[NH+](Cc2ccco2)CC1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000019537805 207130235 /nfs/dbraw/zinc/13/02/35/207130235.db2.gz MBCZAJPMVGTDLT-QHCPKHFHSA-N 2 1 381.564 3.883 50 0 GHAAMP CN(C1CC[NH+](Cc2ccco2)CC1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000019537805 207130238 /nfs/dbraw/zinc/13/02/38/207130238.db2.gz MBCZAJPMVGTDLT-QHCPKHFHSA-N 2 1 381.564 3.883 50 0 GHAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc4ccccc43)C[C@@H]2CCO)CC1 ZINC000020534942 207201475 /nfs/dbraw/zinc/20/14/75/207201475.db2.gz VTCPZZPZFUCXIJ-DEOSSOPVSA-N 2 1 395.591 3.581 50 0 GHAAMP O[C@@H](COc1ccc(C[NH2+]C2CCCC2)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000023145836 207269347 /nfs/dbraw/zinc/26/93/47/207269347.db2.gz ZQXFYNQSSRJUNK-HSZRJFAPSA-N 2 1 380.532 3.517 50 0 GHAAMP C[N@H+](Cc1cncnc1)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000095527661 208226552 /nfs/dbraw/zinc/22/65/52/208226552.db2.gz FOBNQFPHVPHSMA-UHFFFAOYSA-N 2 1 392.469 3.882 50 0 GHAAMP COc1ccc(C[NH2+]C2CCCC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012194001 570622833 /nfs/dbraw/zinc/62/28/33/570622833.db2.gz VVHJRYSTQJDXBE-QFIPXVFZSA-N 2 1 398.547 3.599 50 0 GHAAMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)NCc3ccccc3Cl)C[C@@H]2[C@H]1c1ccccc1 ZINC000106920675 570969173 /nfs/dbraw/zinc/96/91/73/570969173.db2.gz QYGUSLVJRGZLOY-ZRCGQRJVSA-N 2 1 397.950 3.581 50 0 GHAAMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)NCc3ccccc3Cl)C[C@@H]2[C@H]1c1ccccc1 ZINC000106920675 570969175 /nfs/dbraw/zinc/96/91/75/570969175.db2.gz QYGUSLVJRGZLOY-ZRCGQRJVSA-N 2 1 397.950 3.581 50 0 GHAAMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)Cc1cnc(C2OCCO2)s1 ZINC000252572602 570996392 /nfs/dbraw/zinc/99/63/92/570996392.db2.gz ZMEFNZHHUDLTBO-APWZRJJASA-N 2 1 387.549 3.531 50 0 GHAAMP CC/C=C(/C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000822293498 862645847 /nfs/dbraw/zinc/64/58/47/862645847.db2.gz SNAWLDPBNDUBGR-TYKUBWCYSA-N 2 1 383.580 3.650 50 0 GHAAMP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000952869653 904634254 /nfs/dbraw/zinc/63/42/54/904634254.db2.gz XYNLHXWXFHWIHB-HSZRJFAPSA-N 2 1 392.591 3.914 50 0 GHAAMP CC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000012759006 919301753 /nfs/dbraw/zinc/30/17/53/919301753.db2.gz IFTWUCQQAXRYDA-QFIPXVFZSA-N 2 1 383.580 3.622 50 0 GHAAMP CC1CCN(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000012759006 919301770 /nfs/dbraw/zinc/30/17/70/919301770.db2.gz IFTWUCQQAXRYDA-QFIPXVFZSA-N 2 1 383.580 3.622 50 0 GHAAMP CCC(CC)NC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091679722 208133345 /nfs/dbraw/zinc/13/33/45/208133345.db2.gz DHWUSBUWEZQFTK-NRFANRHFSA-N 2 1 397.607 3.635 50 0 GHAAMP Cc1cc2c(ncnc2N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)s1 ZINC000095523588 136181251 /nfs/dbraw/zinc/18/12/51/136181251.db2.gz VYCYCHUWKSCTLT-MRXNPFEDSA-N 2 1 384.553 3.532 50 0 GHAAMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3F)C2)ccc1O ZINC000012005207 570598321 /nfs/dbraw/zinc/59/83/21/570598321.db2.gz CTGLXJQZZPXNDN-LJQANCHMSA-N 2 1 386.511 3.926 50 0 GHAAMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3F)C2)ccc1O ZINC000012005207 570598322 /nfs/dbraw/zinc/59/83/22/570598322.db2.gz CTGLXJQZZPXNDN-LJQANCHMSA-N 2 1 386.511 3.926 50 0 GHAAMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)ccc1O ZINC000012005207 570598323 /nfs/dbraw/zinc/59/83/23/570598323.db2.gz CTGLXJQZZPXNDN-LJQANCHMSA-N 2 1 386.511 3.926 50 0 GHAAMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)ccc1O ZINC000012005207 570598325 /nfs/dbraw/zinc/59/83/25/570598325.db2.gz CTGLXJQZZPXNDN-LJQANCHMSA-N 2 1 386.511 3.926 50 0 GHAAMP CC(=O)NC1CC[NH+](C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC000585138579 570951150 /nfs/dbraw/zinc/95/11/50/570951150.db2.gz HCPZFRNYIFWLBH-QHCPKHFHSA-N 2 1 379.548 3.503 50 0 GHAAMP CC(=O)NC1CC[NH+](C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC000585138579 570951156 /nfs/dbraw/zinc/95/11/56/570951156.db2.gz HCPZFRNYIFWLBH-QHCPKHFHSA-N 2 1 379.548 3.503 50 0 GHAAMP CCCCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000014972983 207036724 /nfs/dbraw/zinc/03/67/24/207036724.db2.gz HBLRWHLMJMAOTO-QFIPXVFZSA-N 2 1 397.607 3.589 50 0 GHAAMP CC(C)(CN1CCOCC1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1CCCCC1)C2 ZINC000012073931 207279025 /nfs/dbraw/zinc/27/90/25/207279025.db2.gz VOTKVPYXHZVXPM-DEOSSOPVSA-N 2 1 391.644 3.713 50 0 GHAAMP CC(C)(CN1CCOCC1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012073931 207279028 /nfs/dbraw/zinc/27/90/28/207279028.db2.gz VOTKVPYXHZVXPM-DEOSSOPVSA-N 2 1 391.644 3.713 50 0 GHAAMP CC(C)(CN1CCOCC1)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000012073931 207279033 /nfs/dbraw/zinc/27/90/33/207279033.db2.gz VOTKVPYXHZVXPM-DEOSSOPVSA-N 2 1 391.644 3.713 50 0 GHAAMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cc1 ZINC000011946256 570595439 /nfs/dbraw/zinc/59/54/39/570595439.db2.gz FIAAZJPXOLLSIC-UHFFFAOYSA-N 2 1 398.522 3.999 50 0 GHAAMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1cnc(C2OCCO2)s1 ZINC000252572603 570996301 /nfs/dbraw/zinc/99/63/01/570996301.db2.gz ZMEFNZHHUDLTBO-VQIMIIECSA-N 2 1 387.549 3.531 50 0 GHAAMP CCCN(CC1CC1)C(=O)CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](C[NH+]1C)[C@@H]23 ZINC000257194516 838997430 /nfs/dbraw/zinc/99/74/30/838997430.db2.gz UFKPZYLYAANSNF-GNXKAVGDSA-N 2 1 375.601 3.610 50 0 GHAAMP CCCN(CC1CC1)C(=O)CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](C[NH+]1C)[C@@H]23 ZINC000257194516 838997439 /nfs/dbraw/zinc/99/74/39/838997439.db2.gz UFKPZYLYAANSNF-GNXKAVGDSA-N 2 1 375.601 3.610 50 0 GHAAMP CCCN(CC1CC1)C(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@@H+]1C)[C@@H]23 ZINC000257194516 838997444 /nfs/dbraw/zinc/99/74/44/838997444.db2.gz UFKPZYLYAANSNF-GNXKAVGDSA-N 2 1 375.601 3.610 50 0 GHAAMP CCCN(CC1CC1)C(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@H+]1C)[C@@H]23 ZINC000257194516 838997451 /nfs/dbraw/zinc/99/74/51/838997451.db2.gz UFKPZYLYAANSNF-GNXKAVGDSA-N 2 1 375.601 3.610 50 0 GHAAMP C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000012593205 859447826 /nfs/dbraw/zinc/44/78/26/859447826.db2.gz AGVFMTXZWGYUMA-JOCHJYFZSA-N 2 1 386.511 3.683 50 0 GHAAMP CCOC(=O)N1CCC([N@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)CC1 ZINC000055228237 924037689 /nfs/dbraw/zinc/03/76/89/924037689.db2.gz NDFCMPMIRJZCMB-XMMPIXPASA-N 2 1 399.579 3.904 50 0 GHAAMP CCOC(=O)N1CCC([NH+]2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)CC1 ZINC000055228237 924037710 /nfs/dbraw/zinc/03/77/10/924037710.db2.gz NDFCMPMIRJZCMB-XMMPIXPASA-N 2 1 399.579 3.904 50 0 GHAAMP CCOC(=O)N1CCC([NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(C)c2)C3)CC1 ZINC000055228237 924037719 /nfs/dbraw/zinc/03/77/19/924037719.db2.gz NDFCMPMIRJZCMB-XMMPIXPASA-N 2 1 399.579 3.904 50 0 GHAAMP CCn1cc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(OC)cc3)CC2)c(C)n1 ZINC000426615584 231247091 /nfs/dbraw/zinc/24/70/91/231247091.db2.gz SMDQXYDWKQXGFE-UHFFFAOYSA-N 2 1 384.568 3.607 50 0 GHAAMP CC1CC[NH+](Cc2ccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)cc2)CC1 ZINC000015769635 207059183 /nfs/dbraw/zinc/05/91/83/207059183.db2.gz BIBNGQDHRPWZPF-UHFFFAOYSA-N 2 1 382.508 3.755 50 0 GHAAMP CN(C1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000019835953 207165054 /nfs/dbraw/zinc/16/50/54/207165054.db2.gz WDUQFUXZXIYPSV-VWLOTQADSA-N 2 1 392.591 3.685 50 0 GHAAMP CN(C1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000019835953 207165056 /nfs/dbraw/zinc/16/50/56/207165056.db2.gz WDUQFUXZXIYPSV-VWLOTQADSA-N 2 1 392.591 3.685 50 0 GHAAMP CCn1c(Cn2cc[nH+]c2C)nnc1C1CC[NH+](Cc2ccc(C)s2)CC1 ZINC000096133169 208269836 /nfs/dbraw/zinc/26/98/36/208269836.db2.gz HBEXVNTUNNXKML-UHFFFAOYSA-N 2 1 384.553 3.601 50 0 GHAAMP Cn1c(SCC[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000299798889 209091471 /nfs/dbraw/zinc/09/14/71/209091471.db2.gz UKUWDIBLRZWIQQ-IBGZPJMESA-N 2 1 391.629 3.763 50 0 GHAAMP C[N@@H+](Cc1cccc(OCCN2CC[NH2+]CC2)c1)Cc1cccc2ccccc21 ZINC000299798381 209090318 /nfs/dbraw/zinc/09/03/18/209090318.db2.gz SSWOSZXQANICBT-UHFFFAOYSA-N 2 1 389.543 3.756 50 0 GHAAMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)NCc3ccccc3Cl)C[C@@H]2[C@@H]1c1ccccc1 ZINC000072304898 570516485 /nfs/dbraw/zinc/51/64/85/570516485.db2.gz QYGUSLVJRGZLOY-QTEQDKRBSA-N 2 1 397.950 3.581 50 0 GHAAMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)NCc3ccccc3Cl)C[C@@H]2[C@@H]1c1ccccc1 ZINC000072304898 570516489 /nfs/dbraw/zinc/51/64/89/570516489.db2.gz QYGUSLVJRGZLOY-QTEQDKRBSA-N 2 1 397.950 3.581 50 0 GHAAMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)NCc3ccccc3Cl)C[C@@H]2[C@@H]1c1ccccc1 ZINC000072304898 570516492 /nfs/dbraw/zinc/51/64/92/570516492.db2.gz QYGUSLVJRGZLOY-QTEQDKRBSA-N 2 1 397.950 3.581 50 0 GHAAMP COCC[NH+]1CCC(C[N@@H+](Cc2cc3ccccc3[nH]2)Cc2ccncc2)CC1 ZINC000011667855 570579377 /nfs/dbraw/zinc/57/93/77/570579377.db2.gz MGRMJWCMCMSKSO-UHFFFAOYSA-N 2 1 392.547 3.924 50 0 GHAAMP O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012476307 570673796 /nfs/dbraw/zinc/67/37/96/570673796.db2.gz JGTYFYOHQBCLAP-HSZRJFAPSA-N 2 1 391.559 3.679 50 0 GHAAMP O=C(NCc1ccccc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012476307 570673798 /nfs/dbraw/zinc/67/37/98/570673798.db2.gz JGTYFYOHQBCLAP-HSZRJFAPSA-N 2 1 391.559 3.679 50 0 GHAAMP COCC[N@@H+](CC1CC[NH+](Cc2ccccc2OC)CC1)C1CCSCC1 ZINC000012199262 570963516 /nfs/dbraw/zinc/96/35/16/570963516.db2.gz CCRPTZMKJFDKQS-UHFFFAOYSA-N 2 1 392.609 3.751 50 0 GHAAMP O[C@@H](COc1cccc(C[NH2+]C2CCCCC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000012437563 862366530 /nfs/dbraw/zinc/36/65/30/862366530.db2.gz TYTXRFZYZKRIJJ-XMMPIXPASA-N 2 1 394.559 3.907 50 0 GHAAMP CC(C)=CC[N@@H+]1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012596509 859448965 /nfs/dbraw/zinc/44/89/65/859448965.db2.gz XYLOLJQGSTWFTC-HSZRJFAPSA-N 2 1 383.580 3.789 50 0 GHAAMP CC(C)=CC[N@H+]1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012596509 859448971 /nfs/dbraw/zinc/44/89/71/859448971.db2.gz XYLOLJQGSTWFTC-HSZRJFAPSA-N 2 1 383.580 3.789 50 0 GHAAMP CC[NH+]1CCC([NH+]2CCC(Cc3ccc(CCC(=O)NC4CC4)cc3)CC2)CC1 ZINC000581813773 870057082 /nfs/dbraw/zinc/05/70/82/870057082.db2.gz ITGIQGFDPCNZEB-UHFFFAOYSA-N 2 1 397.607 3.637 50 0 GHAAMP COc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)cc1C[NH+]1CCCC1 ZINC000952988602 904674062 /nfs/dbraw/zinc/67/40/62/904674062.db2.gz NJSRNDUUQDKQFH-UHFFFAOYSA-N 3 1 394.563 3.707 50 0 GHAAMP Cc1oc(-c2ccc3ccccc3c2)nc1C[N@H+]1CC[C@@H](C[NH+](C)C)[C@H](O)C1 ZINC000071753424 926386862 /nfs/dbraw/zinc/38/68/62/926386862.db2.gz FPHSMZXFRHCJAP-RBBKRZOGSA-N 2 1 379.504 3.548 50 0 GHAAMP Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+]1CC[C@@H](C[NH+](C)C)[C@H](O)C1 ZINC000071753424 926386873 /nfs/dbraw/zinc/38/68/73/926386873.db2.gz FPHSMZXFRHCJAP-RBBKRZOGSA-N 2 1 379.504 3.548 50 0 GHAAMP C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000023361170 207276271 /nfs/dbraw/zinc/27/62/71/207276271.db2.gz KABAHLIVUIANLA-RUZDIDTESA-N 2 1 392.591 3.685 50 0 GHAAMP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]c4c(C)cc(C)cc34)C[C@H]2CCO)o1 ZINC000107003059 136201669 /nfs/dbraw/zinc/20/16/69/136201669.db2.gz ZFXIGXJBYGBZON-LJQANCHMSA-N 2 1 379.504 3.826 50 0 GHAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cnn(C(C)C)c3)CC2)cc1 ZINC000012457206 570669803 /nfs/dbraw/zinc/66/98/03/570669803.db2.gz AVUJOWKMIXEICA-UHFFFAOYSA-N 2 1 384.568 3.859 50 0 GHAAMP O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012476311 570673809 /nfs/dbraw/zinc/67/38/09/570673809.db2.gz JGTYFYOHQBCLAP-QHCPKHFHSA-N 2 1 391.559 3.679 50 0 GHAAMP O=C(NCc1ccccc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012476311 570673811 /nfs/dbraw/zinc/67/38/11/570673811.db2.gz JGTYFYOHQBCLAP-QHCPKHFHSA-N 2 1 391.559 3.679 50 0 GHAAMP C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000019741946 839830991 /nfs/dbraw/zinc/83/09/91/839830991.db2.gz FMYFFRSEYGPAEA-HSZRJFAPSA-N 2 1 381.564 3.883 50 0 GHAAMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)o1 ZINC000012432061 855580994 /nfs/dbraw/zinc/58/09/94/855580994.db2.gz WUSONBRRXNUGIM-QHCPKHFHSA-N 2 1 399.510 3.609 50 0 GHAAMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)o1 ZINC000012432061 855581000 /nfs/dbraw/zinc/58/10/00/855581000.db2.gz WUSONBRRXNUGIM-QHCPKHFHSA-N 2 1 399.510 3.609 50 0 GHAAMP CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000040121844 856670539 /nfs/dbraw/zinc/67/05/39/856670539.db2.gz MGYXQMBMOKYVKV-RTBURBONSA-N 2 1 389.588 3.769 50 0 GHAAMP O[C@@H](COc1cccc(C[NH2+]C2CCCC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000012760276 859563077 /nfs/dbraw/zinc/56/30/77/859563077.db2.gz FLMRMYVIIGZJSM-HSZRJFAPSA-N 2 1 380.532 3.517 50 0 GHAAMP COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)Cc2ccc(OC)c(C)c2)CC1 ZINC000012318490 859896407 /nfs/dbraw/zinc/89/64/07/859896407.db2.gz IGWGJJBQTKXXJX-UHFFFAOYSA-N 2 1 397.563 3.759 50 0 GHAAMP COc1ccc(C[N@@H+]2CC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)cc1Cn1ccnc1 ZINC000575548957 866188824 /nfs/dbraw/zinc/18/88/24/866188824.db2.gz LRHSMVCWCSCQPX-OAQYLSRUSA-N 2 1 391.519 3.769 50 0 GHAAMP COc1ccc(C[N@H+]2CC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)cc1Cn1ccnc1 ZINC000575548957 866188830 /nfs/dbraw/zinc/18/88/30/866188830.db2.gz LRHSMVCWCSCQPX-OAQYLSRUSA-N 2 1 391.519 3.769 50 0 GHAAMP c1ccc(CC[N@@H+]2CCC[C@@H](C[NH2+]Cc3cnc(-c4ccccn4)nc3)C2)cc1 ZINC000952976411 904656453 /nfs/dbraw/zinc/65/64/53/904656453.db2.gz ZJFNLUABLWFTQX-NRFANRHFSA-N 2 1 387.531 3.583 50 0 GHAAMP c1ccc(CC[N@H+]2CCC[C@@H](C[NH2+]Cc3cnc(-c4ccccn4)nc3)C2)cc1 ZINC000952976411 904656463 /nfs/dbraw/zinc/65/64/63/904656463.db2.gz ZJFNLUABLWFTQX-NRFANRHFSA-N 2 1 387.531 3.583 50 0 GHAAMP C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000014957688 207033361 /nfs/dbraw/zinc/03/33/61/207033361.db2.gz CTJNUQULCGVKJJ-QFIPXVFZSA-N 2 1 386.511 3.683 50 0 GHAAMP O=C(N[C@@H]1CCC[N@H+](C2CCCCCC2)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000014979578 207036265 /nfs/dbraw/zinc/03/62/65/207036265.db2.gz VVIUMCRPPKRXNM-HXUWFJFHSA-N 2 1 387.568 3.795 50 0 GHAAMP CCOC(=O)N1CCC([N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCCCC2)C3)CC1 ZINC000015073702 207044501 /nfs/dbraw/zinc/04/45/01/207044501.db2.gz RMSYFWUYLOBOJF-QHCPKHFHSA-N 2 1 391.600 3.976 50 0 GHAAMP CCOC(=O)N1CCC([NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)CC1 ZINC000015073702 207044507 /nfs/dbraw/zinc/04/45/07/207044507.db2.gz RMSYFWUYLOBOJF-QHCPKHFHSA-N 2 1 391.600 3.976 50 0 GHAAMP CCOC(=O)N1CCC([NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)CC1 ZINC000015073702 207044509 /nfs/dbraw/zinc/04/45/09/207044509.db2.gz RMSYFWUYLOBOJF-QHCPKHFHSA-N 2 1 391.600 3.976 50 0 GHAAMP Cn1cncc1C[N@@H+](C)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000095524356 208223724 /nfs/dbraw/zinc/22/37/24/208223724.db2.gz DFPXZUVDLMYYQJ-UHFFFAOYSA-N 2 1 394.485 3.825 50 0 GHAAMP Cc1cc(N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C2CC2)C3)nc(N)[nH+]1 ZINC000095379010 136178634 /nfs/dbraw/zinc/17/86/34/136178634.db2.gz GXQGFZHNNNBSGU-LJQANCHMSA-N 2 1 377.536 3.606 50 0 GHAAMP CCOc1ccc(C[N@@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)cc1CO ZINC000012581680 570683841 /nfs/dbraw/zinc/68/38/41/570683841.db2.gz LRRWFLPFHPFGNV-HSZRJFAPSA-N 2 1 396.575 3.964 50 0 GHAAMP CCOc1ccc(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)cc1CO ZINC000012581680 570683846 /nfs/dbraw/zinc/68/38/46/570683846.db2.gz LRRWFLPFHPFGNV-HSZRJFAPSA-N 2 1 396.575 3.964 50 0 GHAAMP CCOc1ccc(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@@H+](C)C2)cc1CO ZINC000012581680 570683850 /nfs/dbraw/zinc/68/38/50/570683850.db2.gz LRRWFLPFHPFGNV-HSZRJFAPSA-N 2 1 396.575 3.964 50 0 GHAAMP Cc1ccc(C[NH2+]Cc2ccccc2OC[C@@H](O)C[N@@H+](C)C2CCCCC2)o1 ZINC000012589049 570686054 /nfs/dbraw/zinc/68/60/54/570686054.db2.gz XWLUTNKTVMOSDV-NRFANRHFSA-N 2 1 386.536 3.882 50 0 GHAAMP Cc1ccc(C[NH2+]Cc2ccccc2OC[C@@H](O)C[N@H+](C)C2CCCCC2)o1 ZINC000012589049 570686057 /nfs/dbraw/zinc/68/60/57/570686057.db2.gz XWLUTNKTVMOSDV-NRFANRHFSA-N 2 1 386.536 3.882 50 0 GHAAMP CC(C)Oc1ccc(C[N@@H+]2CC[C@]3(CO)C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177571 838718759 /nfs/dbraw/zinc/71/87/59/838718759.db2.gz XEWOBNKPCRNHMM-UKILVPOCSA-N 2 1 394.559 3.790 50 0 GHAAMP CC(C)Oc1ccc(C[N@H+]2CC[C@]3(CO)C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177571 838718769 /nfs/dbraw/zinc/71/87/69/838718769.db2.gz XEWOBNKPCRNHMM-UKILVPOCSA-N 2 1 394.559 3.790 50 0 GHAAMP CC(C)Oc1ccc(C[NH+]2CC[C@]3(CO)C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177571 838718779 /nfs/dbraw/zinc/71/87/79/838718779.db2.gz XEWOBNKPCRNHMM-UKILVPOCSA-N 2 1 394.559 3.790 50 0 GHAAMP CC(C)Oc1ccc(C[NH+]2CC[C@]3(CO)C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177571 838718790 /nfs/dbraw/zinc/71/87/90/838718790.db2.gz XEWOBNKPCRNHMM-UKILVPOCSA-N 2 1 394.559 3.790 50 0 GHAAMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000289656271 839560470 /nfs/dbraw/zinc/56/04/70/839560470.db2.gz ODUONUVZUJKKMJ-KRWDZBQOSA-N 2 1 380.467 3.736 50 0 GHAAMP CCc1nc(C)c(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000011664546 856873188 /nfs/dbraw/zinc/87/31/88/856873188.db2.gz ZOFLLMGZXFPVHO-NRFANRHFSA-N 2 1 388.600 3.916 50 0 GHAAMP O[C@@H](COc1ccc(C[NH2+]C2CCCCC2)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000011945357 858197819 /nfs/dbraw/zinc/19/78/19/858197819.db2.gz PNUVFOOWTKUGCG-XMMPIXPASA-N 2 1 394.559 3.907 50 0 GHAAMP CC(C)=CC[N@@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012596503 859448982 /nfs/dbraw/zinc/44/89/82/859448982.db2.gz XYLOLJQGSTWFTC-QHCPKHFHSA-N 2 1 383.580 3.789 50 0 GHAAMP CC(C)=CC[N@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012596503 859448983 /nfs/dbraw/zinc/44/89/83/859448983.db2.gz XYLOLJQGSTWFTC-QHCPKHFHSA-N 2 1 383.580 3.789 50 0 GHAAMP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000952869666 904634303 /nfs/dbraw/zinc/63/43/03/904634303.db2.gz XYNLHXWXFHWIHB-QHCPKHFHSA-N 2 1 392.591 3.914 50 0 GHAAMP COc1cc(OC)c(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)cc1Cl ZINC000952983748 904669673 /nfs/dbraw/zinc/66/96/73/904669673.db2.gz QNLHMXOATIDKLE-UHFFFAOYSA-N 2 1 375.900 3.773 50 0 GHAAMP COc1cc(OC)c(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)cc1Cl ZINC000952983748 904669676 /nfs/dbraw/zinc/66/96/76/904669676.db2.gz QNLHMXOATIDKLE-UHFFFAOYSA-N 2 1 375.900 3.773 50 0 GHAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000014959803 207034715 /nfs/dbraw/zinc/03/47/15/207034715.db2.gz HESLXWUDIHPFMI-UHFFFAOYSA-N 2 1 387.612 3.612 50 0 GHAAMP COc1cc(C[N@@H+](C)CC2CC[NH+](CCc3ccccc3F)CC2)ccc1O ZINC000015073986 207043930 /nfs/dbraw/zinc/04/39/30/207043930.db2.gz LXQUMYLOSNUNTK-UHFFFAOYSA-N 2 1 386.511 3.926 50 0 GHAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1ccccc1 ZINC000095521311 208220762 /nfs/dbraw/zinc/22/07/62/208220762.db2.gz WEGYIEZTFRXBMH-HXUWFJFHSA-N 2 1 397.538 3.742 50 0 GHAAMP OCC[C@H]1CN(c2cc[nH+]c3ccccc32)CC[N@H+]1CCCc1ccccc1 ZINC000072453589 136170960 /nfs/dbraw/zinc/17/09/60/136170960.db2.gz LZGAKGXFEONAAJ-NRFANRHFSA-N 2 1 375.516 3.741 50 0 GHAAMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)cc1O ZINC000012458518 570670317 /nfs/dbraw/zinc/67/03/17/570670317.db2.gz WPAFKKLMMRVJSA-FQEVSTJZSA-N 2 1 386.511 3.926 50 0 GHAAMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)cc1O ZINC000012458518 570670321 /nfs/dbraw/zinc/67/03/21/570670321.db2.gz WPAFKKLMMRVJSA-FQEVSTJZSA-N 2 1 386.511 3.926 50 0 GHAAMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cc1O ZINC000012458518 570670323 /nfs/dbraw/zinc/67/03/23/570670323.db2.gz WPAFKKLMMRVJSA-FQEVSTJZSA-N 2 1 386.511 3.926 50 0 GHAAMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)cc1O ZINC000012458518 570670327 /nfs/dbraw/zinc/67/03/27/570670327.db2.gz WPAFKKLMMRVJSA-FQEVSTJZSA-N 2 1 386.511 3.926 50 0 GHAAMP C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(-c3cccc4c(N)cc[nH+]c43)c1)C2 ZINC000534660555 570915440 /nfs/dbraw/zinc/91/54/40/570915440.db2.gz NIFVHHUHFDHABK-RBUKOAKNSA-N 2 1 386.499 3.623 50 0 GHAAMP C[N@H+]1CC2(C[C@@H]1C(=O)Nc1ccccc1)CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000675009774 840851259 /nfs/dbraw/zinc/85/12/59/840851259.db2.gz FPTJROZATVQMJG-OAQYLSRUSA-N 2 1 399.485 3.890 50 0 GHAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000012432044 862338436 /nfs/dbraw/zinc/33/84/36/862338436.db2.gz ZKNLMOVPWUNOJC-SFHVURJKSA-N 2 1 391.987 3.885 50 0 GHAAMP CCOCC[NH+](CCOCC)Cc1ccccc1OCC[N@H+]1CCC[C@H](C)C1 ZINC000823324738 863034486 /nfs/dbraw/zinc/03/44/86/863034486.db2.gz YWSYYQCDNOGNTR-NRFANRHFSA-N 2 1 392.584 3.672 50 0 GHAAMP O=C(c1ccncc1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012574421 859427457 /nfs/dbraw/zinc/42/74/57/859427457.db2.gz NOMMQGUCGJFSLN-NRFANRHFSA-N 2 1 398.595 3.664 50 0 GHAAMP C[NH+](C)CCOc1cccc(C[N@H+](C)Cc2cnc([C@@H]3CCCO3)s2)c1 ZINC000585084628 897171948 /nfs/dbraw/zinc/17/19/48/897171948.db2.gz VBRDYPPGJOIHLF-IBGZPJMESA-N 2 1 375.538 3.567 50 0 GHAAMP C[NH+](C)CCOc1cccc(C[N@@H+](C)Cc2cnc([C@@H]3CCCO3)s2)c1 ZINC000585084628 897171954 /nfs/dbraw/zinc/17/19/54/897171954.db2.gz VBRDYPPGJOIHLF-IBGZPJMESA-N 2 1 375.538 3.567 50 0 GHAAMP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCCCCC1 ZINC000014980445 919351400 /nfs/dbraw/zinc/35/14/00/919351400.db2.gz RMNYKUUDABEDQM-HSZRJFAPSA-N 2 1 397.607 3.808 50 0 GHAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCCCCC1 ZINC000014980445 919351411 /nfs/dbraw/zinc/35/14/11/919351411.db2.gz RMNYKUUDABEDQM-HSZRJFAPSA-N 2 1 397.607 3.808 50 0 GHAAMP COc1ccc(CC[N@H+](Cc2cccc3nonc32)CC2CC[NH+](C)CC2)cc1 ZINC000011753643 206226851 /nfs/dbraw/zinc/22/68/51/206226851.db2.gz POWCQJFJTBENMU-UHFFFAOYSA-N 2 1 394.519 3.618 50 0 GHAAMP COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)Cc2cc(F)cc(F)c2)CC1 ZINC000015065284 207041816 /nfs/dbraw/zinc/04/18/16/207041816.db2.gz OTCHWWGBSOSFMP-UHFFFAOYSA-N 2 1 389.490 3.720 50 0 GHAAMP COc1cc(C[N@H+]2CCCC2(C)C)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095521042 208221037 /nfs/dbraw/zinc/22/10/37/208221037.db2.gz PUEHJGBWOATAII-HXUWFJFHSA-N 2 1 390.568 3.685 50 0 GHAAMP CCc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1 ZINC000012228275 570629080 /nfs/dbraw/zinc/62/90/80/570629080.db2.gz UIGIWLDVCLITRB-NRFANRHFSA-N 2 1 385.596 3.794 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2nccn2C)C[C@H]2CCCO2)CC1 ZINC000012434091 570661728 /nfs/dbraw/zinc/66/17/28/570661728.db2.gz DWJQMDQNVUQGQG-HSZRJFAPSA-N 2 1 396.579 3.622 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2nccn2C)C[C@H]2CCCO2)CC1 ZINC000012434091 570661729 /nfs/dbraw/zinc/66/17/29/570661729.db2.gz DWJQMDQNVUQGQG-HSZRJFAPSA-N 2 1 396.579 3.622 50 0 GHAAMP Cc1ccc(C)c(C[N@H+]2CCOc3ccc(C[NH+]4CCC(O)CC4)cc3C2)c1 ZINC000055042546 570680056 /nfs/dbraw/zinc/68/00/56/570680056.db2.gz NACUANNZFYBNRO-UHFFFAOYSA-N 2 1 380.532 3.655 50 0 GHAAMP CC[C@@H](C)CNC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000055054755 570680669 /nfs/dbraw/zinc/68/06/69/570680669.db2.gz NAJRBHQFIYALEQ-LJQANCHMSA-N 2 1 385.596 3.834 50 0 GHAAMP OC1(c2cccc(OC(F)(F)F)c2)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000170091647 570805136 /nfs/dbraw/zinc/80/51/36/570805136.db2.gz QRSVIFISKROERR-UHFFFAOYSA-N 2 1 386.458 3.745 50 0 GHAAMP Cc1cccc(C)c1C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071749021 570846268 /nfs/dbraw/zinc/84/62/68/570846268.db2.gz LRPOEKPVESNYOZ-NRFANRHFSA-N 2 1 383.580 3.602 50 0 GHAAMP Cc1cccc(C)c1C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071749021 570846273 /nfs/dbraw/zinc/84/62/73/570846273.db2.gz LRPOEKPVESNYOZ-NRFANRHFSA-N 2 1 383.580 3.602 50 0 GHAAMP COCC[NH+]1CCC(C[N@H+](Cc2cccc(SC)c2)C[C@H]2CCCO2)CC1 ZINC000012583356 570879852 /nfs/dbraw/zinc/87/98/52/570879852.db2.gz CJEIOMQITJCXDC-OAQYLSRUSA-N 2 1 392.609 3.748 50 0 GHAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012592678 570884114 /nfs/dbraw/zinc/88/41/14/570884114.db2.gz DRXWBTLUMCLSSF-OAQYLSRUSA-N 2 1 391.987 3.933 50 0 GHAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000012432045 862339295 /nfs/dbraw/zinc/33/92/95/862339295.db2.gz ZKNLMOVPWUNOJC-GOSISDBHSA-N 2 1 391.987 3.885 50 0 GHAAMP CSCCC[NH2+]Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011814799 858950228 /nfs/dbraw/zinc/95/02/28/858950228.db2.gz WMNVBPXXRBRNGW-HXUWFJFHSA-N 2 1 380.598 3.534 50 0 GHAAMP CC[NH+]1CCC(CC(=O)N2CCC[C@@H]2CCc2[nH+]cc(C)n2CC2CC2)CC1 ZINC000257187412 859840887 /nfs/dbraw/zinc/84/08/87/859840887.db2.gz AZKXWPWXWBAWHS-OAQYLSRUSA-N 2 1 386.584 3.647 50 0 GHAAMP CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)[C@H](c1cccc(F)c1)[NH+](C)C ZINC000823646289 863135919 /nfs/dbraw/zinc/13/59/19/863135919.db2.gz JKYMURYAPYKGDV-QFIPXVFZSA-N 2 1 383.511 3.683 50 0 GHAAMP c1cncc(-c2noc([C@@H]3CCC[N@@H+](C4CCC5(CC[NH2+]CC5)CC4)C3)n2)c1 ZINC000067604279 888476844 /nfs/dbraw/zinc/47/68/44/888476844.db2.gz CCFLHPMHVBQDQX-GOSISDBHSA-N 2 1 381.524 3.623 50 0 GHAAMP COc1cccc(N2CCC([N@H+]3CCCN(c4cc[nH+]cc4C)CC3)CC2)c1 ZINC000952969392 904647261 /nfs/dbraw/zinc/64/72/61/904647261.db2.gz BCGKZBXQTYIQGJ-UHFFFAOYSA-N 2 1 380.536 3.580 50 0 GHAAMP COC[C@H](C)[NH+]1CCC([C@@H](Cc2ccccc2)[N@@H+](C)Cc2ccncc2)CC1 ZINC000015000260 919353476 /nfs/dbraw/zinc/35/34/76/919353476.db2.gz WMKHFZPWKGHSBL-GBXCKJPGSA-N 2 1 381.564 3.872 50 0 GHAAMP COC[C@@H](C)[NH+]1CCC([C@H](Cc2ccccc2)[N@@H+](C)Cc2ccncc2)CC1 ZINC000015000262 919353631 /nfs/dbraw/zinc/35/36/31/919353631.db2.gz WMKHFZPWKGHSBL-YKSBVNFPSA-N 2 1 381.564 3.872 50 0 GHAAMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000019758345 919595482 /nfs/dbraw/zinc/59/54/82/919595482.db2.gz LUJUIJZTRMUMDR-XMMPIXPASA-N 2 1 378.564 3.642 50 0 GHAAMP CC(C)Oc1ccc(C[N@@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)cc1 ZINC000055153640 924036567 /nfs/dbraw/zinc/03/65/67/924036567.db2.gz SDGMTGXKULAQHH-XMMPIXPASA-N 2 1 398.547 3.638 50 0 GHAAMP CC(C)Oc1ccc(C[N@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)cc1 ZINC000055153640 924036581 /nfs/dbraw/zinc/03/65/81/924036581.db2.gz SDGMTGXKULAQHH-XMMPIXPASA-N 2 1 398.547 3.638 50 0 GHAAMP CCC[NH+]1CCC([NH+]2CCC(O)(c3ccc(Br)cc3)CC2)CC1 ZINC000000757905 206320335 /nfs/dbraw/zinc/32/03/35/206320335.db2.gz BEMCOOVNTUWGNV-UHFFFAOYSA-N 2 1 381.358 3.607 50 0 GHAAMP O=C(NCc1ccccc1)[C@H]1CCC[N@H+](C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000015071472 207045278 /nfs/dbraw/zinc/04/52/78/207045278.db2.gz FUXOBWAKANHNQA-QFIPXVFZSA-N 2 1 383.580 3.669 50 0 GHAAMP O=C(NC1CCCCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000019229569 207109337 /nfs/dbraw/zinc/10/93/37/207109337.db2.gz XVGRSJYBZFHBKN-JOCHJYFZSA-N 2 1 397.607 3.854 50 0 GHAAMP O=C(NC1CCCCC1)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000019229569 207109341 /nfs/dbraw/zinc/10/93/41/207109341.db2.gz XVGRSJYBZFHBKN-JOCHJYFZSA-N 2 1 397.607 3.854 50 0 GHAAMP CC(C)=CC[N@@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C[C@@H]1CCO ZINC000020598917 207205004 /nfs/dbraw/zinc/20/50/04/207205004.db2.gz JQZFJNWJQLJTLO-FQEVSTJZSA-N 2 1 391.625 3.569 50 0 GHAAMP CC(C)=CC[N@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C[C@@H]1CCO ZINC000020598917 207205009 /nfs/dbraw/zinc/20/50/09/207205009.db2.gz JQZFJNWJQLJTLO-FQEVSTJZSA-N 2 1 391.625 3.569 50 0 GHAAMP COCC[NH+]1CCC(C[N@H+](Cc2ccc(SC)cc2)C[C@H]2CCCO2)CC1 ZINC000012303262 207288327 /nfs/dbraw/zinc/28/83/27/207288327.db2.gz PZISGRYADNKUAW-OAQYLSRUSA-N 2 1 392.609 3.748 50 0 GHAAMP Cc1nn(C)cc1C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095378920 208173943 /nfs/dbraw/zinc/17/39/43/208173943.db2.gz SETWYODBOYNLBY-OAQYLSRUSA-N 2 1 378.564 3.963 50 0 GHAAMP O=C(c1cccnc1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095517159 208215547 /nfs/dbraw/zinc/21/55/47/208215547.db2.gz NCYYAGQPBFIGIJ-NRFANRHFSA-N 2 1 398.595 3.664 50 0 GHAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cnc(COC)nc3)CC2)C1 ZINC000096162286 208281851 /nfs/dbraw/zinc/28/18/51/208281851.db2.gz DQVXFOYGAZQOES-JOCHJYFZSA-N 2 1 394.563 3.715 50 0 GHAAMP Cc1ccc(C[NH+]2CCC3(CC2)CC[N@@H+](Cc2cccnc2)C[C@H]3CO)s1 ZINC000097425018 208354441 /nfs/dbraw/zinc/35/44/41/208354441.db2.gz FORISTLTXGKYOG-FQEVSTJZSA-N 2 1 385.577 3.548 50 0 GHAAMP CC(C)CC[NH+]1CCC2(CC1)CC[N@@H+](Cc1ccncc1Cl)C[C@@H]2CO ZINC000097602605 208356403 /nfs/dbraw/zinc/35/64/03/208356403.db2.gz FRMSXIQTGNGMOI-LJQANCHMSA-N 2 1 379.976 3.678 50 0 GHAAMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246936966 209026010 /nfs/dbraw/zinc/02/60/10/209026010.db2.gz QOXMHYKRVXBPOR-VAMGGRTRSA-N 2 1 379.589 3.830 50 0 GHAAMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246936966 209026014 /nfs/dbraw/zinc/02/60/14/209026014.db2.gz QOXMHYKRVXBPOR-VAMGGRTRSA-N 2 1 379.589 3.830 50 0 GHAAMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246936966 209026020 /nfs/dbraw/zinc/02/60/20/209026020.db2.gz QOXMHYKRVXBPOR-VAMGGRTRSA-N 2 1 379.589 3.830 50 0 GHAAMP Cc1cc(C)c2[nH+]ccc(N3CC[N@@H+](Cc4ccsc4)[C@H](CCO)C3)c2c1 ZINC000072479072 136171327 /nfs/dbraw/zinc/17/13/27/136171327.db2.gz FICCLHIXVHNFKE-LJQANCHMSA-N 2 1 381.545 3.986 50 0 GHAAMP Cc1cc(C(F)(F)F)cc(N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)[nH+]1 ZINC000095531234 136181945 /nfs/dbraw/zinc/18/19/45/136181945.db2.gz RLOSJBUMRGOKBD-HNNXBMFYSA-N 2 1 381.446 3.551 50 0 GHAAMP OCC[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[N@H+]1CCCc1ccccc1 ZINC000106985767 136191677 /nfs/dbraw/zinc/19/16/77/136191677.db2.gz LZGAKGXFEONAAJ-OAQYLSRUSA-N 2 1 375.516 3.741 50 0 GHAAMP CC(C)[NH+]1CCC([N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)CC1 ZINC000011662284 570264102 /nfs/dbraw/zinc/26/41/02/570264102.db2.gz AOVRGTAPUMGCQC-UHFFFAOYSA-N 3 1 375.576 3.885 50 0 GHAAMP CC(C)N1CCC([N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)CC1 ZINC000011662284 570264105 /nfs/dbraw/zinc/26/41/05/570264105.db2.gz AOVRGTAPUMGCQC-UHFFFAOYSA-N 2 1 375.576 3.885 50 0 GHAAMP CC(C)N1CCC([N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)CC1 ZINC000011662284 570264111 /nfs/dbraw/zinc/26/41/11/570264111.db2.gz AOVRGTAPUMGCQC-UHFFFAOYSA-N 2 1 375.576 3.885 50 0 GHAAMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000225567236 570588737 /nfs/dbraw/zinc/58/87/37/570588737.db2.gz SBEHPXXFVYHFCC-WIYYLYMNSA-N 2 1 380.536 3.549 50 0 GHAAMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000225567236 570588739 /nfs/dbraw/zinc/58/87/39/570588739.db2.gz SBEHPXXFVYHFCC-WIYYLYMNSA-N 2 1 380.536 3.549 50 0 GHAAMP O=C(CC[C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011873705 570589189 /nfs/dbraw/zinc/58/91/89/570589189.db2.gz DBUALKCRVGCDOT-QFIPXVFZSA-N 2 1 395.547 3.616 50 0 GHAAMP O=C(CC[C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011873705 570589192 /nfs/dbraw/zinc/58/91/92/570589192.db2.gz DBUALKCRVGCDOT-QFIPXVFZSA-N 2 1 395.547 3.616 50 0 GHAAMP O=C(CC[C@@H]1CCC[N@H+](Cc2ccoc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012431572 570660167 /nfs/dbraw/zinc/66/01/67/570660167.db2.gz DJEYFVNLQUHUFP-QFIPXVFZSA-N 2 1 395.547 3.616 50 0 GHAAMP O=C(CC[C@@H]1CCC[N@@H+](Cc2ccoc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012431572 570660169 /nfs/dbraw/zinc/66/01/69/570660169.db2.gz DJEYFVNLQUHUFP-QFIPXVFZSA-N 2 1 395.547 3.616 50 0 GHAAMP COCC[N@H+](Cc1cccc(O)c1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012577892 570683026 /nfs/dbraw/zinc/68/30/26/570683026.db2.gz PCHNCAIYTJIGBL-UHFFFAOYSA-N 2 1 386.511 3.892 50 0 GHAAMP Cc1cccc(C[NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000004700514 570853714 /nfs/dbraw/zinc/85/37/14/570853714.db2.gz ZCLBUEJCUKOVGP-UHFFFAOYSA-N 2 1 391.559 3.551 50 0 GHAAMP CC[NH+]1CCC(CC(=O)N2CCC[C@H]2CCc2[nH+]cc(C)n2CC2CC2)CC1 ZINC000257187411 838887634 /nfs/dbraw/zinc/88/76/34/838887634.db2.gz AZKXWPWXWBAWHS-NRFANRHFSA-N 2 1 386.584 3.647 50 0 GHAAMP O=C(C[NH+]1CCCCCC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012022697 858539512 /nfs/dbraw/zinc/53/95/12/858539512.db2.gz RMBYCTBPJJWXIH-HSZRJFAPSA-N 2 1 387.543 3.516 50 0 GHAAMP COCC[NH+]1CCC(C[N@H+](Cc2cccc(Cl)c2)C[C@H]2CCCO2)CC1 ZINC000012298256 859761455 /nfs/dbraw/zinc/76/14/55/859761455.db2.gz PAQYLOQUJFBYBW-OAQYLSRUSA-N 2 1 380.960 3.679 50 0 GHAAMP COCC[N@@H+](C)Cc1ccc(CC2CC[NH+](Cc3scnc3C)CC2)cc1 ZINC000575553081 866192448 /nfs/dbraw/zinc/19/24/48/866192448.db2.gz UPNDYMSBUZBWIK-UHFFFAOYSA-N 2 1 387.593 3.984 50 0 GHAAMP C[NH+](C)CCOc1cccc(C[N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000585084640 897174795 /nfs/dbraw/zinc/17/47/95/897174795.db2.gz YHTHINCLWFCBIL-UHFFFAOYSA-N 2 1 382.483 3.788 50 0 GHAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+](CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)CC1 ZINC000012764371 919301532 /nfs/dbraw/zinc/30/15/32/919301532.db2.gz SBHQOIMSZQZWTF-VXKWHMMOSA-N 2 1 387.612 3.635 50 0 GHAAMP C[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)CC1 ZINC000014968612 207035171 /nfs/dbraw/zinc/03/51/71/207035171.db2.gz HXJQSXZGLWTVQT-QHCPKHFHSA-N 2 1 375.601 3.613 50 0 GHAAMP COc1ccc(C[NH+]2CCCCC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000095525074 208223564 /nfs/dbraw/zinc/22/35/64/208223564.db2.gz DPZZYJJDGUGNTD-QFIPXVFZSA-N 2 1 398.547 3.553 50 0 GHAAMP COCC[NH+]1CCC(C[N@@H+](Cc2nc(C(C)C)cs2)C[C@@H]2CCCO2)CC1 ZINC000012075369 570605007 /nfs/dbraw/zinc/60/50/07/570605007.db2.gz UIIHVQQXWWHNHK-IBGZPJMESA-N 2 1 395.613 3.606 50 0 GHAAMP COCC[NH+]1CCC(C[N@H+](Cc2nc(C(C)C)cs2)C[C@@H]2CCCO2)CC1 ZINC000012075369 570605010 /nfs/dbraw/zinc/60/50/10/570605010.db2.gz UIIHVQQXWWHNHK-IBGZPJMESA-N 2 1 395.613 3.606 50 0 GHAAMP Cc1oc2c(c1C(=O)NCCC[NH+]1CCCCC1)C[N@@H+](Cc1ccccc1)CC2 ZINC000065289670 570785292 /nfs/dbraw/zinc/78/52/92/570785292.db2.gz REAOARLUXMGHNG-UHFFFAOYSA-N 2 1 395.547 3.752 50 0 GHAAMP Cc1oc2c(c1C(=O)NCCC[NH+]1CCCCC1)C[N@H+](Cc1ccccc1)CC2 ZINC000065289670 570785297 /nfs/dbraw/zinc/78/52/97/570785297.db2.gz REAOARLUXMGHNG-UHFFFAOYSA-N 2 1 395.547 3.752 50 0 GHAAMP C[NH+]1CCC(C[N@H+]2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)CC1 ZINC000067772853 570790750 /nfs/dbraw/zinc/79/07/50/570790750.db2.gz GKANLSYOKOWIKJ-UHFFFAOYSA-N 2 1 387.911 3.644 50 0 GHAAMP Cc1ccc(C[N@H+](C)Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)o1 ZINC000012473718 570821075 /nfs/dbraw/zinc/82/10/75/570821075.db2.gz JCQHFZGCDHGLEC-NRFANRHFSA-N 2 1 386.536 3.836 50 0 GHAAMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000289300042 838449633 /nfs/dbraw/zinc/44/96/33/838449633.db2.gz RYOZEOGLAQCGJK-IBGZPJMESA-N 2 1 387.499 3.928 50 0 GHAAMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)o1 ZINC000012432060 862338654 /nfs/dbraw/zinc/33/86/54/862338654.db2.gz WUSONBRRXNUGIM-HSZRJFAPSA-N 2 1 399.510 3.609 50 0 GHAAMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)o1 ZINC000012432060 862338676 /nfs/dbraw/zinc/33/86/76/862338676.db2.gz WUSONBRRXNUGIM-HSZRJFAPSA-N 2 1 399.510 3.609 50 0 GHAAMP O=C(Nc1ccccc1C[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000827733150 865096883 /nfs/dbraw/zinc/09/68/83/865096883.db2.gz GONCRLUOPCFGNW-FQEVSTJZSA-N 2 1 385.552 3.502 50 0 GHAAMP OCC[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)s2)CC[N@H+]1C1CCCC1 ZINC000023358157 207274949 /nfs/dbraw/zinc/27/49/49/207274949.db2.gz ILCPCKAVBLMKJW-HXUWFJFHSA-N 2 1 391.625 3.545 50 0 GHAAMP CCCC[N@@H+](C)Cc1ccccc1OC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000011879350 857863804 /nfs/dbraw/zinc/86/38/04/857863804.db2.gz NCPPAJZUCAMYRV-QHCPKHFHSA-N 2 1 382.548 3.717 50 0 GHAAMP CCCC[NH+](C)Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000011879350 857863808 /nfs/dbraw/zinc/86/38/08/857863808.db2.gz NCPPAJZUCAMYRV-QHCPKHFHSA-N 2 1 382.548 3.717 50 0 GHAAMP CCCC[NH+](C)Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000011879350 857863812 /nfs/dbraw/zinc/86/38/12/857863812.db2.gz NCPPAJZUCAMYRV-QHCPKHFHSA-N 2 1 382.548 3.717 50 0 GHAAMP c1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc2nonc12 ZINC000012703200 919298692 /nfs/dbraw/zinc/29/86/92/919298692.db2.gz PVKGSKRMVOBPSV-OAQYLSRUSA-N 2 1 398.551 3.858 50 0 GHAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc(Cl)c1 ZINC000019223607 207108988 /nfs/dbraw/zinc/10/89/88/207108988.db2.gz VEWNHQPZTMMKEB-UHFFFAOYSA-N 2 1 377.960 3.608 50 0 GHAAMP C[N@@H+](CCc1ccccc1)[C@H]1CCCN(C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000020996324 207222932 /nfs/dbraw/zinc/22/29/32/207222932.db2.gz JQBYTZXUXSQJLX-VWLOTQADSA-N 2 1 392.591 3.685 50 0 GHAAMP Cn1ncc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)c1C1CC1 ZINC000096130249 208266744 /nfs/dbraw/zinc/26/67/44/208266744.db2.gz OBCZCQMFWWGJNG-NRFANRHFSA-N 2 1 378.564 3.999 50 0 GHAAMP Cc1sc2cc(C(=O)N3CC[NH+](C(C)C)CC3)[nH]c2c1C[NH+]1CCCCC1 ZINC000097088901 208334957 /nfs/dbraw/zinc/33/49/57/208334957.db2.gz PJPJHSFUEDZWLX-UHFFFAOYSA-N 2 1 388.581 3.690 50 0 GHAAMP CC(C)CC[NH+]1CCC2(CC1)CC[N@@H+](Cc1ccncc1Cl)C[C@H]2CO ZINC000097602607 208357322 /nfs/dbraw/zinc/35/73/22/208357322.db2.gz FRMSXIQTGNGMOI-IBGZPJMESA-N 2 1 379.976 3.678 50 0 GHAAMP O=C([C@H]1CCC[N@H+](C2CCN(c3cc[nH+]c4ccccc43)CC2)C1)N1CCCC1 ZINC000071745529 136165917 /nfs/dbraw/zinc/16/59/17/136165917.db2.gz JWTBRFUIQDPYHD-IBGZPJMESA-N 2 1 392.547 3.538 50 0 GHAAMP C(=C/c1ccccc1)\C[NH+]1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000022455649 570538522 /nfs/dbraw/zinc/53/85/22/570538522.db2.gz ISDDDDBBZMEXNB-KPKJPENVSA-N 2 1 375.560 3.982 50 0 GHAAMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000225567210 570588887 /nfs/dbraw/zinc/58/88/87/570588887.db2.gz SBEHPXXFVYHFCC-GHTZIAJQSA-N 2 1 380.536 3.549 50 0 GHAAMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000225567210 570588891 /nfs/dbraw/zinc/58/88/91/570588891.db2.gz SBEHPXXFVYHFCC-GHTZIAJQSA-N 2 1 380.536 3.549 50 0 GHAAMP CCc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1 ZINC000012228281 570628907 /nfs/dbraw/zinc/62/89/07/570628907.db2.gz UIGIWLDVCLITRB-OAQYLSRUSA-N 2 1 385.596 3.794 50 0 GHAAMP CC[NH+](CC)CCOc1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000170592397 570851369 /nfs/dbraw/zinc/85/13/69/570851369.db2.gz VPQMXCCVQTYPNG-AJSBUHFISA-N 2 1 389.584 3.709 50 0 GHAAMP Cc1ccccc1[C@H](C(=O)NCC[NH+]1CCC(c2ccccc2)CC1)[NH+](C)C ZINC000825235617 864347896 /nfs/dbraw/zinc/34/78/96/864347896.db2.gz VQPOZNZPWGDCGC-HSZRJFAPSA-N 2 1 379.548 3.594 50 0 GHAAMP C[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)CC1 ZINC000014968608 207034824 /nfs/dbraw/zinc/03/48/24/207034824.db2.gz HXJQSXZGLWTVQT-HSZRJFAPSA-N 2 1 375.601 3.613 50 0 GHAAMP COCC[NH+]1CCC(C[N@H+](Cc2cc3ccccc3o2)C[C@H]2CCCO2)CC1 ZINC000012431320 207308960 /nfs/dbraw/zinc/30/89/60/207308960.db2.gz WMDNAQVYBVGSCL-OAQYLSRUSA-N 2 1 386.536 3.772 50 0 GHAAMP O[C@H](COc1ccc(Cl)cc1C[NH+]1CCC(F)CC1)C[NH+]1CCCCCC1 ZINC000095500088 208201392 /nfs/dbraw/zinc/20/13/92/208201392.db2.gz IMGQXKGYFFACTO-FQEVSTJZSA-N 2 1 398.950 3.890 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ncccn2)C[C@@H]2CCCO2)CC1 ZINC000095521035 208218969 /nfs/dbraw/zinc/21/89/69/208218969.db2.gz GLMKQFZEMWMLFN-QHCPKHFHSA-N 2 1 394.563 3.678 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ncccn2)C[C@@H]2CCCO2)CC1 ZINC000095521035 208218972 /nfs/dbraw/zinc/21/89/72/208218972.db2.gz GLMKQFZEMWMLFN-QHCPKHFHSA-N 2 1 394.563 3.678 50 0 GHAAMP Fc1cccc(C[NH+]2CCC([C@@H]3CC[N@H+](CCCn4cccn4)C3)CC2)c1F ZINC000012203927 570625697 /nfs/dbraw/zinc/62/56/97/570625697.db2.gz WDVCSJDEWSKRAT-LJQANCHMSA-N 2 1 388.506 3.786 50 0 GHAAMP Fc1cccc(C[NH+]2CCC([C@@H]3CC[N@@H+](CCCn4cccn4)C3)CC2)c1F ZINC000012203927 570625698 /nfs/dbraw/zinc/62/56/98/570625698.db2.gz WDVCSJDEWSKRAT-LJQANCHMSA-N 2 1 388.506 3.786 50 0 GHAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@H](C)c3cccs3)cc2)CC1 ZINC000012558405 570860638 /nfs/dbraw/zinc/86/06/38/570860638.db2.gz IGBWIRQBRIUKLD-QGZVFWFLSA-N 2 1 386.565 3.522 50 0 GHAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@H](C)c3cccs3)cc2)CC1 ZINC000012558405 570860641 /nfs/dbraw/zinc/86/06/41/570860641.db2.gz IGBWIRQBRIUKLD-QGZVFWFLSA-N 2 1 386.565 3.522 50 0 GHAAMP CCc1cc(N2CCC([NH2+]Cc3cccc(N4CCCC4)c3)CC2)nc(C)[nH+]1 ZINC000095523386 571088824 /nfs/dbraw/zinc/08/88/24/571088824.db2.gz OMLNBVQDOLHGHH-UHFFFAOYSA-N 2 1 379.552 3.706 50 0 GHAAMP C[N@@H+](CCCNC(=O)c1ccc(CC2CC[NH+](C)CC2)cc1)C1CCCCC1 ZINC000581806307 870029416 /nfs/dbraw/zinc/02/94/16/870029416.db2.gz ZJRZTCUJRYZKRG-UHFFFAOYSA-N 2 1 385.596 3.955 50 0 GHAAMP Cc1cc(C)n2ncc(C[NH2+]CC[C@H]3CCCC[N@@H+]3Cc3ccccc3)c2n1 ZINC000952990736 904677320 /nfs/dbraw/zinc/67/73/20/904677320.db2.gz YOYHORCIQAIIGN-JOCHJYFZSA-N 2 1 377.536 3.881 50 0 GHAAMP Cc1cc(C)n2ncc(C[NH2+]CC[C@H]3CCCC[N@H+]3Cc3ccccc3)c2n1 ZINC000952990736 904677327 /nfs/dbraw/zinc/67/73/27/904677327.db2.gz YOYHORCIQAIIGN-JOCHJYFZSA-N 2 1 377.536 3.881 50 0 GHAAMP Cn1c2ccccc2nc1C[N@@H+](CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000023312272 207273388 /nfs/dbraw/zinc/27/33/88/207273388.db2.gz CUPYZTMSPQQDKL-UHFFFAOYSA-N 2 1 376.548 3.960 50 0 GHAAMP CCc1[nH+]ccn1CC[NH2+]C1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000095511230 208212983 /nfs/dbraw/zinc/21/29/83/208212983.db2.gz MXGVNTFUGMEHGV-UHFFFAOYSA-N 2 1 389.956 3.967 50 0 GHAAMP C[NH+]1CCC(O)(c2ccc3c(c2)C[N@H+](CC2=CC[C@H]4C[C@@H]2C4(C)C)CCO3)CC1 ZINC000299757427 209083128 /nfs/dbraw/zinc/08/31/28/209083128.db2.gz JMMHQVWVGXCBMH-UNMCSNQZSA-N 2 1 396.575 3.787 50 0 GHAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](CCCc2ccccc2)CC1 ZINC000011879251 570591379 /nfs/dbraw/zinc/59/13/79/570591379.db2.gz SUZMKNQZDGGYOQ-HSZRJFAPSA-N 2 1 385.596 3.712 50 0 GHAAMP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000006787587 570593091 /nfs/dbraw/zinc/59/30/91/570593091.db2.gz LPSZLGKSUSHCHR-GOSISDBHSA-N 2 1 381.520 3.667 50 0 GHAAMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc4c(c3)OCO4)CC2)cs1 ZINC000161795171 834754825 /nfs/dbraw/zinc/75/48/25/834754825.db2.gz KJJMOUIDOLHNPI-HNNXBMFYSA-N 2 1 387.549 3.997 50 0 GHAAMP c1nc2c([nH]1)[C@@H](C1CC[NH+](Cc3ccccc3)CC1)[N@H+](CC1CCOCC1)CC2 ZINC000675012396 840863545 /nfs/dbraw/zinc/86/35/45/840863545.db2.gz JQWLLJOXOWFKJI-XMMPIXPASA-N 2 1 394.563 3.648 50 0 GHAAMP c1nc2c([nH]1)[C@@H](C1CC[NH+](Cc3ccccc3)CC1)[N@@H+](CC1CCOCC1)CC2 ZINC000675012396 840863558 /nfs/dbraw/zinc/86/35/58/840863558.db2.gz JQWLLJOXOWFKJI-XMMPIXPASA-N 2 1 394.563 3.648 50 0 GHAAMP C(C[NH+]1CCCCC1)N(C[C@@H]1CCC[N@H+](C2CCCC2)C1)C1CCOCC1 ZINC000022916437 846896737 /nfs/dbraw/zinc/89/67/37/846896737.db2.gz YUMNJSANMIPQQD-OAQYLSRUSA-N 2 1 377.617 3.608 50 0 GHAAMP COC(=O)c1ccc(C[N@@H+](CCc2ccccc2)CC2CC[NH+](C)CC2)cc1 ZINC000012574382 858837243 /nfs/dbraw/zinc/83/72/43/858837243.db2.gz QLFCTMNSYBZZJO-UHFFFAOYSA-N 2 1 380.532 3.860 50 0 GHAAMP C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000012593201 859447854 /nfs/dbraw/zinc/44/78/54/859447854.db2.gz AGVFMTXZWGYUMA-QFIPXVFZSA-N 2 1 386.511 3.683 50 0 GHAAMP Cc1nn(C)c(Oc2cccnc2)c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192919947 904347489 /nfs/dbraw/zinc/34/74/89/904347489.db2.gz PUAXNEHQNJLWNB-HXUWFJFHSA-N 2 1 391.519 3.528 50 0 GHAAMP Cc1nn(C)c(Oc2cccnc2)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192919947 904347501 /nfs/dbraw/zinc/34/75/01/904347501.db2.gz PUAXNEHQNJLWNB-HXUWFJFHSA-N 2 1 391.519 3.528 50 0 GHAAMP c1coc(-c2ncc(C[NH2+]C[C@H]3CCC[N@@H+](CCc4ccccc4)C3)cn2)c1 ZINC000952988450 904674152 /nfs/dbraw/zinc/67/41/52/904674152.db2.gz RJALSZMVIYTHCD-HXUWFJFHSA-N 2 1 376.504 3.781 50 0 GHAAMP c1coc(-c2ncc(C[NH2+]C[C@H]3CCC[N@H+](CCc4ccccc4)C3)cn2)c1 ZINC000952988450 904674158 /nfs/dbraw/zinc/67/41/58/904674158.db2.gz RJALSZMVIYTHCD-HXUWFJFHSA-N 2 1 376.504 3.781 50 0 GHAAMP O=C(NCc1ccccc1)[C@@H]1CCC[N@H+](C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000014976377 919352473 /nfs/dbraw/zinc/35/24/73/919352473.db2.gz WRKDTFJERUMZPH-OAQYLSRUSA-N 2 1 383.580 3.812 50 0 GHAAMP CC(C)(CN1CCOCC1)C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1CCCCC1)C2 ZINC000012073929 207280347 /nfs/dbraw/zinc/28/03/47/207280347.db2.gz VOTKVPYXHZVXPM-XMMPIXPASA-N 2 1 391.644 3.713 50 0 GHAAMP CC(C)(CN1CCOCC1)C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012073929 207280351 /nfs/dbraw/zinc/28/03/51/207280351.db2.gz VOTKVPYXHZVXPM-XMMPIXPASA-N 2 1 391.644 3.713 50 0 GHAAMP CC(C)(CN1CCOCC1)C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000012073929 207280356 /nfs/dbraw/zinc/28/03/56/207280356.db2.gz VOTKVPYXHZVXPM-XMMPIXPASA-N 2 1 391.644 3.713 50 0 GHAAMP Cc1cc2c(ncnc2N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)s1 ZINC000095510170 136180264 /nfs/dbraw/zinc/18/02/64/136180264.db2.gz RYGLRKWAFPAKEQ-UHFFFAOYSA-N 2 1 384.553 3.532 50 0 GHAAMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(Br)o3)CC2)nc(C)[nH+]1 ZINC000097105313 136188064 /nfs/dbraw/zinc/18/80/64/136188064.db2.gz AMJODIFGHKSLAB-LBPRGKRZSA-N 2 1 379.302 3.769 50 0 GHAAMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(Br)o3)CC2)nc(C)[nH+]1 ZINC000097105316 136188099 /nfs/dbraw/zinc/18/80/99/136188099.db2.gz AMJODIFGHKSLAB-GFCCVEGCSA-N 2 1 379.302 3.769 50 0 GHAAMP CCCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000039438065 570591381 /nfs/dbraw/zinc/59/13/81/570591381.db2.gz QQQZSAHEMIPLIG-JOCHJYFZSA-N 2 1 385.596 3.664 50 0 GHAAMP CCCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000039438065 570591383 /nfs/dbraw/zinc/59/13/83/570591383.db2.gz QQQZSAHEMIPLIG-JOCHJYFZSA-N 2 1 385.596 3.664 50 0 GHAAMP CSc1ncc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000055153565 570684966 /nfs/dbraw/zinc/68/49/66/570684966.db2.gz PHFQPJPDAZZXHS-UHFFFAOYSA-N 2 1 388.556 3.724 50 0 GHAAMP C[N@H+](Cc1ccc2c[nH]nc2c1)[C@H]1CCC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000660124831 840305013 /nfs/dbraw/zinc/30/50/13/840305013.db2.gz KXQKQJJQGJOUDF-NRFANRHFSA-N 2 1 388.519 3.926 50 0 GHAAMP C[N@@H+](Cc1ccc2c[nH]nc2c1)[C@H]1CCC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000660124831 840305025 /nfs/dbraw/zinc/30/50/25/840305025.db2.gz KXQKQJJQGJOUDF-NRFANRHFSA-N 2 1 388.519 3.926 50 0 GHAAMP C[NH+](Cc1ccc2c[nH]nc2c1)[C@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000660124831 840305038 /nfs/dbraw/zinc/30/50/38/840305038.db2.gz KXQKQJJQGJOUDF-NRFANRHFSA-N 2 1 388.519 3.926 50 0 GHAAMP C[NH+](Cc1ccc2c[nH]nc2c1)[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000660124831 840305052 /nfs/dbraw/zinc/30/50/52/840305052.db2.gz KXQKQJJQGJOUDF-NRFANRHFSA-N 2 1 388.519 3.926 50 0 GHAAMP O=C(C[N@H+]1CCC[C@H]1c1cccs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000008341057 856131669 /nfs/dbraw/zinc/13/16/69/856131669.db2.gz KTDMKRMUGHALRX-FQEVSTJZSA-N 2 1 383.561 3.666 50 0 GHAAMP COc1ccc(C[NH2+]CCCC2CCCC2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012594082 858997004 /nfs/dbraw/zinc/99/70/04/858997004.db2.gz PCGMWYVDPQMPKA-OAQYLSRUSA-N 2 1 392.584 3.835 50 0 GHAAMP COCC[NH+]1CCC(C[N@@H+](C/C=C/c2ccccc2)Cc2ccncc2)CC1 ZINC000012318453 859896065 /nfs/dbraw/zinc/89/60/65/859896065.db2.gz HGMPAGKVHYWHMD-VMPITWQZSA-N 2 1 379.548 3.955 50 0 GHAAMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000823712738 863166116 /nfs/dbraw/zinc/16/61/16/863166116.db2.gz RHMOYWPPWRKUNN-JOCHJYFZSA-N 2 1 383.511 3.731 50 0 GHAAMP CC(C)[NH+]1CCC(CC(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CC1 ZINC000012751340 919301897 /nfs/dbraw/zinc/30/18/97/919301897.db2.gz VMTQHETWAPWDJN-HSZRJFAPSA-N 2 1 385.596 3.662 50 0 GHAAMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(OCc3cn4ccccc4n3)cc2)CC1 ZINC000015569240 210159128 /nfs/dbraw/zinc/15/91/28/210159128.db2.gz UHHSBGNTQUHRNC-UHFFFAOYSA-N 2 1 378.520 3.876 50 0 GHAAMP Cc1cc(N2CCC([C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)CC2)nc(N)[nH+]1 ZINC000072159255 136167275 /nfs/dbraw/zinc/16/72/75/136167275.db2.gz MNPQUXCKURRYBK-SFHVURJKSA-N 2 1 385.943 3.759 50 0 GHAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N3CC=C(c4ccccc4)CC3)C2)CC1 ZINC000019219647 519670287 /nfs/dbraw/zinc/67/02/87/519670287.db2.gz VSZKIEMCMYXRHK-HSZRJFAPSA-N 2 1 395.591 3.887 50 0 GHAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](CCCc2ccccc2)CC1 ZINC000011879252 570591280 /nfs/dbraw/zinc/59/12/80/570591280.db2.gz SUZMKNQZDGGYOQ-QHCPKHFHSA-N 2 1 385.596 3.712 50 0 GHAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000012197348 570623542 /nfs/dbraw/zinc/62/35/42/570623542.db2.gz BGYQPOVWMDJWEM-KRWDZBQOSA-N 2 1 398.016 3.994 50 0 GHAAMP C[C@H]1CCC[N@@H+](CCOc2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)C1 ZINC000055211998 570688005 /nfs/dbraw/zinc/68/80/05/570688005.db2.gz IWEKLEIKWOMILL-SFHVURJKSA-N 2 1 382.504 3.816 50 0 GHAAMP C[NH+](C)CCOc1cccc(CN2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000023375477 836834778 /nfs/dbraw/zinc/83/47/78/836834778.db2.gz RSXKMOORNUMZDH-XMMPIXPASA-N 2 1 395.591 3.766 50 0 GHAAMP CC(C)c1nnc([C@H]2C[N@H+](C)CC23CC[NH+](Cc2c(F)cccc2F)CC3)o1 ZINC000257175737 838696606 /nfs/dbraw/zinc/69/66/06/838696606.db2.gz QPRNAZKRBODDIK-MRXNPFEDSA-N 2 1 390.478 3.783 50 0 GHAAMP CC(C)c1nnc([C@H]2C[N@@H+](C)CC23CC[NH+](Cc2c(F)cccc2F)CC3)o1 ZINC000257175737 838696611 /nfs/dbraw/zinc/69/66/11/838696611.db2.gz QPRNAZKRBODDIK-MRXNPFEDSA-N 2 1 390.478 3.783 50 0 GHAAMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000172806510 856618264 /nfs/dbraw/zinc/61/82/64/856618264.db2.gz QOXMHYKRVXBPOR-AQNXPRMDSA-N 2 1 379.589 3.830 50 0 GHAAMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000172806510 856618287 /nfs/dbraw/zinc/61/82/87/856618287.db2.gz QOXMHYKRVXBPOR-AQNXPRMDSA-N 2 1 379.589 3.830 50 0 GHAAMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000172806510 856618289 /nfs/dbraw/zinc/61/82/89/856618289.db2.gz QOXMHYKRVXBPOR-AQNXPRMDSA-N 2 1 379.589 3.830 50 0 GHAAMP CCc1nc(C)c(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000011664547 856874195 /nfs/dbraw/zinc/87/41/95/856874195.db2.gz ZOFLLMGZXFPVHO-OAQYLSRUSA-N 2 1 388.600 3.916 50 0 GHAAMP O=C(Nc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000827733151 865097380 /nfs/dbraw/zinc/09/73/80/865097380.db2.gz GONCRLUOPCFGNW-HXUWFJFHSA-N 2 1 385.552 3.502 50 0 GHAAMP CCn1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]cc(C)n3Cc3ccccc3)C2)cn1 ZINC000575317677 865992402 /nfs/dbraw/zinc/99/24/02/865992402.db2.gz VTEJMILJBRHRGY-NRFANRHFSA-N 2 1 377.536 3.911 50 0 GHAAMP CCn1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]cc(C)n3Cc3ccccc3)C2)cn1 ZINC000575317677 865992408 /nfs/dbraw/zinc/99/24/08/865992408.db2.gz VTEJMILJBRHRGY-NRFANRHFSA-N 2 1 377.536 3.911 50 0 GHAAMP COc1ccc(C[NH2+]C2CCCCCC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000014980745 210139620 /nfs/dbraw/zinc/13/96/20/210139620.db2.gz ACBPJXJBVGGJAU-FQEVSTJZSA-N 2 1 378.557 3.588 50 0 GHAAMP C[N@@H+](C[C@H](O)COc1cccc(C[NH+]2CCC(F)CC2)c1)C1CCCCC1 ZINC000095504352 211255023 /nfs/dbraw/zinc/25/50/23/211255023.db2.gz IQJLGRIRSUDJAV-NRFANRHFSA-N 2 1 378.532 3.625 50 0 GHAAMP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C1CC[NH+](C)CC1 ZINC000011873114 221133580 /nfs/dbraw/zinc/13/35/80/221133580.db2.gz ZHSUUGMAQLZNQQ-KRWDZBQOSA-N 2 1 393.522 3.510 50 0 GHAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C1CC[NH+](C)CC1 ZINC000011873114 221133582 /nfs/dbraw/zinc/13/35/82/221133582.db2.gz ZHSUUGMAQLZNQQ-KRWDZBQOSA-N 2 1 393.522 3.510 50 0 GHAAMP O[C@H](COc1ccccc1C[NH2+]Cc1ccccc1Cl)C[NH+]1CCCCC1 ZINC000012755120 221225523 /nfs/dbraw/zinc/22/55/23/221225523.db2.gz BVLOFUCYGIWIRR-FQEVSTJZSA-N 2 1 388.939 3.855 50 0 GHAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)N3CC=C(c4ccccc4)CC3)C2)CC1 ZINC000019219652 519670511 /nfs/dbraw/zinc/67/05/11/519670511.db2.gz VSZKIEMCMYXRHK-QHCPKHFHSA-N 2 1 395.591 3.887 50 0 GHAAMP [NH3+]C1CC[NH+](Cc2ccc(-c3nc(-c4ccccc4Cl)cc(=O)[nH]3)cc2)CC1 ZINC000048175541 570655569 /nfs/dbraw/zinc/65/55/69/570655569.db2.gz ZXFGIMBKMRPEOR-UHFFFAOYSA-N 2 1 394.906 3.680 50 0 GHAAMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000240902843 570685684 /nfs/dbraw/zinc/68/56/84/570685684.db2.gz IVTQBEBPAHBWTN-KDURUIRLSA-N 2 1 388.987 3.785 50 0 GHAAMP CCn1cc(C[N@@H+](CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)c(C)n1 ZINC000012596630 570689740 /nfs/dbraw/zinc/68/97/40/570689740.db2.gz OGPMZCIWRQGGFN-UHFFFAOYSA-N 2 1 384.568 3.607 50 0 GHAAMP CCc1[nH+]ccn1CCC(=O)NCC1CC[NH+](CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 ZINC000823557290 863134486 /nfs/dbraw/zinc/13/44/86/863134486.db2.gz JPEBBOJETAUSMY-SFTDATJTSA-N 2 1 398.595 3.656 50 0 GHAAMP Cc1cc(C)n2ncc(C[NH2+]CC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)c2n1 ZINC000952990742 904677489 /nfs/dbraw/zinc/67/74/89/904677489.db2.gz YOYHORCIQAIIGN-QFIPXVFZSA-N 2 1 377.536 3.881 50 0 GHAAMP Cc1cc(C)n2ncc(C[NH2+]CC[C@@H]3CCCC[N@H+]3Cc3ccccc3)c2n1 ZINC000952990742 904677502 /nfs/dbraw/zinc/67/75/02/904677502.db2.gz YOYHORCIQAIIGN-QFIPXVFZSA-N 2 1 377.536 3.881 50 0 GHAAMP CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNC2CC[NH+](CC)CC2)C[C@@]1(C)CO ZINC000015073614 210151223 /nfs/dbraw/zinc/15/12/23/210151223.db2.gz DAWUHHLWBIAURV-COPCDDAFSA-N 2 1 394.003 3.548 50 0 GHAAMP Cc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)C2)s1 ZINC000077011126 211127910 /nfs/dbraw/zinc/12/79/10/211127910.db2.gz MUCAQJRJCNPXTN-KRWDZBQOSA-N 2 1 395.532 3.796 50 0 GHAAMP Cc1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)C2)s1 ZINC000077011126 211127915 /nfs/dbraw/zinc/12/79/15/211127915.db2.gz MUCAQJRJCNPXTN-KRWDZBQOSA-N 2 1 395.532 3.796 50 0 GHAAMP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000095508481 136180596 /nfs/dbraw/zinc/18/05/96/136180596.db2.gz WBWXUVFHCMKNLF-HNNXBMFYSA-N 2 1 381.446 3.633 50 0 GHAAMP CC(C)CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000039538060 570593205 /nfs/dbraw/zinc/59/32/05/570593205.db2.gz KQMXIOGJIVHOPN-JOCHJYFZSA-N 2 1 385.596 3.520 50 0 GHAAMP CC(C)CN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000039538060 570593208 /nfs/dbraw/zinc/59/32/08/570593208.db2.gz KQMXIOGJIVHOPN-JOCHJYFZSA-N 2 1 385.596 3.520 50 0 GHAAMP C[NH+](C)C[C@H](O)COc1ccc(C[N@@H+](C)Cc2cccc3ccccc32)cc1 ZINC000012580619 570684065 /nfs/dbraw/zinc/68/40/65/570684065.db2.gz VMOAPTGKHYILHO-QFIPXVFZSA-N 2 1 378.516 3.773 50 0 GHAAMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](Cn3c(C)cnc3-c3ccncc3)C2)CC1 ZINC000581807374 837680246 /nfs/dbraw/zinc/68/02/46/837680246.db2.gz IGICMMIKBYHKQQ-HXUWFJFHSA-N 2 1 381.568 3.840 50 0 GHAAMP C[NH+](C)CCOc1cccc(CN2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000023375479 836834534 /nfs/dbraw/zinc/83/45/34/836834534.db2.gz RSXKMOORNUMZDH-DEOSSOPVSA-N 2 1 395.591 3.766 50 0 GHAAMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCC[NH+](C)C)cc1 ZINC000057303575 861950907 /nfs/dbraw/zinc/95/09/07/861950907.db2.gz ORCXIFMQHLEVMV-UHFFFAOYSA-N 2 1 378.520 3.648 50 0 GHAAMP CC/C=C(/C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000822293497 862645691 /nfs/dbraw/zinc/64/56/91/862645691.db2.gz SNAWLDPBNDUBGR-KWIXBXSFSA-N 2 1 383.580 3.650 50 0 GHAAMP O=C(c1ccncc1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012574417 859427396 /nfs/dbraw/zinc/42/73/96/859427396.db2.gz NOMMQGUCGJFSLN-OAQYLSRUSA-N 2 1 398.595 3.664 50 0 GHAAMP Cn1cc(C[NH+]2CCC(N3CCSCC3)CC2)c(-c2cccc(Cl)c2)n1 ZINC000012386625 861094517 /nfs/dbraw/zinc/09/45/17/861094517.db2.gz NVBRPHZCKBRFPR-UHFFFAOYSA-N 2 1 390.984 3.754 50 0 GHAAMP CCn1ncc(C[N@@H+]2CC[C@@H](Cc3[nH+]cc(C)n3Cc3ccccc3)C2)c1C ZINC000581805796 870027293 /nfs/dbraw/zinc/02/72/93/870027293.db2.gz GDIOANCYENQTSC-NRFANRHFSA-N 2 1 377.536 3.829 50 0 GHAAMP CCn1ncc(C[N@H+]2CC[C@@H](Cc3[nH+]cc(C)n3Cc3ccccc3)C2)c1C ZINC000581805796 870027309 /nfs/dbraw/zinc/02/73/09/870027309.db2.gz GDIOANCYENQTSC-NRFANRHFSA-N 2 1 377.536 3.829 50 0 GHAAMP Cn1c(SCC[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000299798895 212038787 /nfs/dbraw/zinc/03/87/87/212038787.db2.gz UKUWDIBLRZWIQQ-LJQANCHMSA-N 2 1 391.629 3.763 50 0 GHAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cnc(COC)nc3)CC2)C1 ZINC000096162287 211314751 /nfs/dbraw/zinc/31/47/51/211314751.db2.gz DQVXFOYGAZQOES-QFIPXVFZSA-N 2 1 394.563 3.715 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ncc[nH]2)C[C@@H]2CCCO2)CC1 ZINC000095529254 211275344 /nfs/dbraw/zinc/27/53/44/211275344.db2.gz BFMGTCGRTJFKLV-QFIPXVFZSA-N 2 1 382.552 3.611 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ncc[nH]2)C[C@@H]2CCCO2)CC1 ZINC000095529254 211275345 /nfs/dbraw/zinc/27/53/45/211275345.db2.gz BFMGTCGRTJFKLV-QFIPXVFZSA-N 2 1 382.552 3.611 50 0 GHAAMP CC(C)=CC[NH+]1CCC(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095518110 211265172 /nfs/dbraw/zinc/26/51/72/211265172.db2.gz PANNDZILPHBJGH-QHCPKHFHSA-N 2 1 383.580 3.836 50 0 GHAAMP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC000067714018 211018016 /nfs/dbraw/zinc/01/80/16/211018016.db2.gz IYZCGJZESFQUBD-JOCHJYFZSA-N 2 1 391.559 3.795 50 0 GHAAMP O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC000067714018 211018018 /nfs/dbraw/zinc/01/80/18/211018018.db2.gz IYZCGJZESFQUBD-JOCHJYFZSA-N 2 1 391.559 3.795 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)CC1 ZINC000020920764 210368657 /nfs/dbraw/zinc/36/86/57/210368657.db2.gz CHFPQOJYMMPMRG-FQEVSTJZSA-N 2 1 397.607 3.930 50 0 GHAAMP Cc1cc(C)c2[nH+]ccc(N3CC[N@@H+](Cc4ccsc4)[C@@H](CCO)C3)c2c1 ZINC000107008671 136191632 /nfs/dbraw/zinc/19/16/32/136191632.db2.gz FICCLHIXVHNFKE-IBGZPJMESA-N 2 1 381.545 3.986 50 0 GHAAMP CC(C)=CC[N@@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C[C@H]1CCO ZINC000104368015 570257463 /nfs/dbraw/zinc/25/74/63/570257463.db2.gz JQZFJNWJQLJTLO-HXUWFJFHSA-N 2 1 391.625 3.569 50 0 GHAAMP CC(C)=CC[N@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C[C@H]1CCO ZINC000104368015 570257465 /nfs/dbraw/zinc/25/74/65/570257465.db2.gz JQZFJNWJQLJTLO-HXUWFJFHSA-N 2 1 391.625 3.569 50 0 GHAAMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC000064817929 570553054 /nfs/dbraw/zinc/55/30/54/570553054.db2.gz JCWXCYOZOQHXDL-UHFFFAOYSA-N 2 1 389.543 3.600 50 0 GHAAMP CCn1cc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000055100476 570682913 /nfs/dbraw/zinc/68/29/13/570682913.db2.gz PFKDAAFOLWXVBR-UHFFFAOYSA-N 2 1 381.568 3.955 50 0 GHAAMP CCn1cc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000055100476 570682918 /nfs/dbraw/zinc/68/29/18/570682918.db2.gz PFKDAAFOLWXVBR-UHFFFAOYSA-N 2 1 381.568 3.955 50 0 GHAAMP C[NH+](C)C[C@@H](O)COc1ccc(C[N@@H+](C)Cc2cccc3ccccc32)cc1 ZINC000012580613 570683986 /nfs/dbraw/zinc/68/39/86/570683986.db2.gz VMOAPTGKHYILHO-JOCHJYFZSA-N 2 1 378.516 3.773 50 0 GHAAMP C/C=C(\C)C[N@@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012582670 570684437 /nfs/dbraw/zinc/68/44/37/570684437.db2.gz GSCZOGCWCZNDEE-XODGKTMASA-N 2 1 383.580 3.789 50 0 GHAAMP C/C=C(\C)C[N@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012582670 570684440 /nfs/dbraw/zinc/68/44/40/570684440.db2.gz GSCZOGCWCZNDEE-XODGKTMASA-N 2 1 383.580 3.789 50 0 GHAAMP C[C@H]1CCC[N@@H+](CCCNC(=O)c2cc3c(s2)C[NH+](C2CCCC2)C3)C1 ZINC000065239012 570744032 /nfs/dbraw/zinc/74/40/32/570744032.db2.gz BMANKRFEGGFAKM-INIZCTEOSA-N 2 1 375.582 3.858 50 0 GHAAMP C[C@H]1CCC[NH+](CCCNC(=O)c2cc3c(s2)C[N@@H+](C2CCCC2)C3)C1 ZINC000065239012 570744035 /nfs/dbraw/zinc/74/40/35/570744035.db2.gz BMANKRFEGGFAKM-INIZCTEOSA-N 2 1 375.582 3.858 50 0 GHAAMP C[C@H]1CCC[NH+](CCCNC(=O)c2cc3c(s2)C[N@H+](C2CCCC2)C3)C1 ZINC000065239012 570744038 /nfs/dbraw/zinc/74/40/38/570744038.db2.gz BMANKRFEGGFAKM-INIZCTEOSA-N 2 1 375.582 3.858 50 0 GHAAMP CCN1CCC[C@@H]1C[N@H+](Cc1ccccc1C)CC1CC[NH+](CCOC)CC1 ZINC000019219238 855728352 /nfs/dbraw/zinc/72/83/52/855728352.db2.gz NWSLZYUPYNNGPT-XMMPIXPASA-N 2 1 387.612 3.640 50 0 GHAAMP CC[N@@H+](Cc1ccncc1)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000015066332 210149167 /nfs/dbraw/zinc/14/91/67/210149167.db2.gz QDULYCVMTJFITM-HSZRJFAPSA-N 2 1 397.563 3.719 50 0 GHAAMP Cc1c[nH]c(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000095505735 211257456 /nfs/dbraw/zinc/25/74/56/211257456.db2.gz BOBORDYTJAZCKN-NRFANRHFSA-N 2 1 387.616 3.661 50 0 GHAAMP CSc1ncc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)cn1 ZINC000091745450 211205318 /nfs/dbraw/zinc/20/53/18/211205318.db2.gz BVUDPCWLGOBYSY-HXUWFJFHSA-N 2 1 382.577 3.900 50 0 GHAAMP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2ccccc12 ZINC000048783015 570254153 /nfs/dbraw/zinc/25/41/53/570254153.db2.gz SMKPBDSFGPSUCM-UHFFFAOYSA-N 2 1 389.543 3.886 50 0 GHAAMP CC[C@@H](C)Oc1ccc(C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)cc1Cl ZINC000216417848 570301101 /nfs/dbraw/zinc/30/11/01/570301101.db2.gz IQGHEWQFGAZGMR-QGZVFWFLSA-N 2 1 380.960 3.940 50 0 GHAAMP CCCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000039438067 570591403 /nfs/dbraw/zinc/59/14/03/570591403.db2.gz QQQZSAHEMIPLIG-QFIPXVFZSA-N 2 1 385.596 3.664 50 0 GHAAMP CCCCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000039438067 570591404 /nfs/dbraw/zinc/59/14/04/570591404.db2.gz QQQZSAHEMIPLIG-QFIPXVFZSA-N 2 1 385.596 3.664 50 0 GHAAMP C[N@H+]1CC2(C[C@H]1C(=O)Nc1ccccc1)CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000675009770 840850862 /nfs/dbraw/zinc/85/08/62/840850862.db2.gz FPTJROZATVQMJG-NRFANRHFSA-N 2 1 399.485 3.890 50 0 GHAAMP COc1ccc(CC[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1 ZINC000104074592 898104564 /nfs/dbraw/zinc/10/45/64/898104564.db2.gz JOABWOVDAAGIOP-UHFFFAOYSA-N 2 1 397.563 3.855 50 0 GHAAMP COc1ccc(CC[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1 ZINC000104074592 898104570 /nfs/dbraw/zinc/10/45/70/898104570.db2.gz JOABWOVDAAGIOP-UHFFFAOYSA-N 2 1 397.563 3.855 50 0 GHAAMP Cc1nn(C)c(Oc2cccnc2)c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192919932 904346602 /nfs/dbraw/zinc/34/66/02/904346602.db2.gz PUAXNEHQNJLWNB-FQEVSTJZSA-N 2 1 391.519 3.528 50 0 GHAAMP Cc1nn(C)c(Oc2cccnc2)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192919932 904346617 /nfs/dbraw/zinc/34/66/17/904346617.db2.gz PUAXNEHQNJLWNB-FQEVSTJZSA-N 2 1 391.519 3.528 50 0 GHAAMP C[N@H+]1CCC[C@H](CNC(=O)N2C[C@@H]([NH3+])C[C@H]2c2ccccc2)[C@H]1c1cccs1 ZINC000952852381 904629678 /nfs/dbraw/zinc/62/96/78/904629678.db2.gz HJTFZFIJOCEELA-JKBKZWBZSA-N 2 1 398.576 3.615 50 0 GHAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1)C1CC[NH+](C)CC1 ZINC000014980943 919351660 /nfs/dbraw/zinc/35/16/60/919351660.db2.gz RFJMUCZQVFCCMV-MRXNPFEDSA-N 2 1 398.016 3.946 50 0 GHAAMP CC(C)c1ccc(C[N@@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)cc1 ZINC000055225060 924037513 /nfs/dbraw/zinc/03/75/13/924037513.db2.gz MOZQKHLNAOLISV-XMMPIXPASA-N 2 1 382.548 3.974 50 0 GHAAMP CC(C)c1ccc(C[N@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)cc1 ZINC000055225060 924037524 /nfs/dbraw/zinc/03/75/24/924037524.db2.gz MOZQKHLNAOLISV-XMMPIXPASA-N 2 1 382.548 3.974 50 0 GHAAMP COc1ccc(C[NH2+]C2CCCCCC2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000014980747 210138464 /nfs/dbraw/zinc/13/84/64/210138464.db2.gz ACBPJXJBVGGJAU-HXUWFJFHSA-N 2 1 378.557 3.588 50 0 GHAAMP O[C@@H](COc1cccc(C[N@H+]2CCc3ccccc3C2)c1)C[NH+]1CCCCCC1 ZINC000014973403 210136157 /nfs/dbraw/zinc/13/61/57/210136157.db2.gz UMJUMTAACZAQPP-XMMPIXPASA-N 2 1 394.559 3.861 50 0 GHAAMP CC[NH+](CC)C[C@H](O)COc1cc(C[N@H+]2CCC3(CCCC3)C2)ccc1OC ZINC000095505529 211257788 /nfs/dbraw/zinc/25/77/88/211257788.db2.gz OSKFXDNLEWOWSW-FQEVSTJZSA-N 2 1 390.568 3.543 50 0 GHAAMP CC[C@@H](C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000040121846 210776732 /nfs/dbraw/zinc/77/67/32/210776732.db2.gz MGYXQMBMOKYVKV-MOPGFXCFSA-N 2 1 389.588 3.769 50 0 GHAAMP Cc1cc(N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C2CC2)C3)nc(N)[nH+]1 ZINC000095379009 136178794 /nfs/dbraw/zinc/17/87/94/136178794.db2.gz GXQGFZHNNNBSGU-IBGZPJMESA-N 2 1 377.536 3.606 50 0 GHAAMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(-c4cccc(Br)c4)n3)C[C@@H]12 ZINC000221818458 570401908 /nfs/dbraw/zinc/40/19/08/570401908.db2.gz LNHZPVKUYWUQFS-APHBMKBZSA-N 2 1 378.339 3.742 50 0 GHAAMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4cccc(Br)c4)n3)C[C@@H]12 ZINC000221818458 570401909 /nfs/dbraw/zinc/40/19/09/570401909.db2.gz LNHZPVKUYWUQFS-APHBMKBZSA-N 2 1 378.339 3.742 50 0 GHAAMP C[NH+](C[C@@H](O)COc1ccccc1C[N@H+](C)Cc1ccccn1)C1CCCCC1 ZINC000011668014 570579468 /nfs/dbraw/zinc/57/94/68/570579468.db2.gz ARYAXZHRYPXLKK-HSZRJFAPSA-N 2 1 397.563 3.718 50 0 GHAAMP C[NH+](C[C@@H](O)COc1ccccc1C[N@@H+](C)Cc1ccccn1)C1CCCCC1 ZINC000011668014 570579472 /nfs/dbraw/zinc/57/94/72/570579472.db2.gz ARYAXZHRYPXLKK-HSZRJFAPSA-N 2 1 397.563 3.718 50 0 GHAAMP C[NH+](Cc1ccccn1)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011668014 570579473 /nfs/dbraw/zinc/57/94/73/570579473.db2.gz ARYAXZHRYPXLKK-HSZRJFAPSA-N 2 1 397.563 3.718 50 0 GHAAMP C[NH+](Cc1ccccn1)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011668014 570579476 /nfs/dbraw/zinc/57/94/76/570579476.db2.gz ARYAXZHRYPXLKK-HSZRJFAPSA-N 2 1 397.563 3.718 50 0 GHAAMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3F)C2)ccc1O ZINC000012005201 570598300 /nfs/dbraw/zinc/59/83/00/570598300.db2.gz CTGLXJQZZPXNDN-IBGZPJMESA-N 2 1 386.511 3.926 50 0 GHAAMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3F)C2)ccc1O ZINC000012005201 570598301 /nfs/dbraw/zinc/59/83/01/570598301.db2.gz CTGLXJQZZPXNDN-IBGZPJMESA-N 2 1 386.511 3.926 50 0 GHAAMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)ccc1O ZINC000012005201 570598302 /nfs/dbraw/zinc/59/83/02/570598302.db2.gz CTGLXJQZZPXNDN-IBGZPJMESA-N 2 1 386.511 3.926 50 0 GHAAMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)ccc1O ZINC000012005201 570598303 /nfs/dbraw/zinc/59/83/03/570598303.db2.gz CTGLXJQZZPXNDN-IBGZPJMESA-N 2 1 386.511 3.926 50 0 GHAAMP Cc1nn(C)c(Cl)c1C[N@H+](C)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012193173 570622081 /nfs/dbraw/zinc/62/20/81/570622081.db2.gz WNVQGMDNZNIAIO-UHFFFAOYSA-N 2 1 392.950 3.908 50 0 GHAAMP Cc1nn(C)c(Cl)c1C[N@@H+](C)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012193173 570622083 /nfs/dbraw/zinc/62/20/83/570622083.db2.gz WNVQGMDNZNIAIO-UHFFFAOYSA-N 2 1 392.950 3.908 50 0 GHAAMP O=C(NC(C1CC1)C1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012711331 570702652 /nfs/dbraw/zinc/70/26/52/570702652.db2.gz ARCRLOOGBIWSQI-QFIPXVFZSA-N 2 1 395.591 3.668 50 0 GHAAMP O=C(NC(C1CC1)C1CC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012711331 570702655 /nfs/dbraw/zinc/70/26/55/570702655.db2.gz ARCRLOOGBIWSQI-QFIPXVFZSA-N 2 1 395.591 3.668 50 0 GHAAMP CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCC2)cc1 ZINC000058160633 570712842 /nfs/dbraw/zinc/71/28/42/570712842.db2.gz XJMYYPWIYJOLRX-QGZVFWFLSA-N 2 1 379.504 3.602 50 0 GHAAMP Cc1ccccc1CNC(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@H+]1C)[C@@H]23 ZINC000257187915 838880595 /nfs/dbraw/zinc/88/05/95/838880595.db2.gz MEYWABSUMVUDMV-NXYDZRKXSA-N 2 1 383.580 3.586 50 0 GHAAMP Cc1ccccc1CNC(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@@H+]1C)[C@@H]23 ZINC000257187915 838880604 /nfs/dbraw/zinc/88/06/04/838880604.db2.gz MEYWABSUMVUDMV-NXYDZRKXSA-N 2 1 383.580 3.586 50 0 GHAAMP Cc1ccccc1CNC(=O)CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](C[NH+]1C)[C@@H]23 ZINC000257187915 838880611 /nfs/dbraw/zinc/88/06/11/838880611.db2.gz MEYWABSUMVUDMV-NXYDZRKXSA-N 2 1 383.580 3.586 50 0 GHAAMP Cc1ccccc1CNC(=O)CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](C[NH+]1C)[C@@H]23 ZINC000257187915 838880621 /nfs/dbraw/zinc/88/06/21/838880621.db2.gz MEYWABSUMVUDMV-NXYDZRKXSA-N 2 1 383.580 3.586 50 0 GHAAMP CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)CCn1cc[nH+]c1C ZINC000012301288 859823527 /nfs/dbraw/zinc/82/35/27/859823527.db2.gz AGYVJRGAMFAPKI-UHFFFAOYSA-N 2 1 396.579 3.693 50 0 GHAAMP CCn1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]cc(C)n3Cc3ccccc3)C2)cn1 ZINC000575317678 865992700 /nfs/dbraw/zinc/99/27/00/865992700.db2.gz VTEJMILJBRHRGY-OAQYLSRUSA-N 2 1 377.536 3.911 50 0 GHAAMP CCn1cc(C[N@H+]2CCC[C@H](Cc3[nH+]cc(C)n3Cc3ccccc3)C2)cn1 ZINC000575317678 865992709 /nfs/dbraw/zinc/99/27/09/865992709.db2.gz VTEJMILJBRHRGY-OAQYLSRUSA-N 2 1 377.536 3.911 50 0 GHAAMP C[NH+](C)CCOc1cccc(C[N@H+](C)Cc2cnc([C@H]3CCCO3)s2)c1 ZINC000585084629 897171447 /nfs/dbraw/zinc/17/14/47/897171447.db2.gz VBRDYPPGJOIHLF-LJQANCHMSA-N 2 1 375.538 3.567 50 0 GHAAMP C[NH+](C)CCOc1cccc(C[N@@H+](C)Cc2cnc([C@H]3CCCO3)s2)c1 ZINC000585084629 897171458 /nfs/dbraw/zinc/17/14/58/897171458.db2.gz VBRDYPPGJOIHLF-LJQANCHMSA-N 2 1 375.538 3.567 50 0 GHAAMP C[C@@H](c1ccc2c(c1)OCCO2)[N@@H+](C)Cc1ccc(OCCn2ccnc2)cc1 ZINC000952979578 904659505 /nfs/dbraw/zinc/65/95/05/904659505.db2.gz JIUGOUPKUXOEAQ-SFHVURJKSA-N 2 1 393.487 3.926 50 0 GHAAMP CC(C)c1[nH+]ccn1CCC[NH2+]Cc1ccccc1OCCCn1ccnc1 ZINC000952984005 904669700 /nfs/dbraw/zinc/66/97/00/904669700.db2.gz SZRCYFAMYASIHV-UHFFFAOYSA-N 2 1 381.524 3.852 50 0 GHAAMP Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000426518626 231234074 /nfs/dbraw/zinc/23/40/74/231234074.db2.gz BDYNRGYVBREQBT-HXUWFJFHSA-N 2 1 385.596 3.847 50 0 GHAAMP CSc1ccc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000014981172 210139197 /nfs/dbraw/zinc/13/91/97/210139197.db2.gz CLXOMWIFFMCZEL-IBGZPJMESA-N 2 1 389.609 3.610 50 0 GHAAMP O=C(c1cccnc1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095517158 211265335 /nfs/dbraw/zinc/26/53/35/211265335.db2.gz NCYYAGQPBFIGIJ-OAQYLSRUSA-N 2 1 398.595 3.664 50 0 GHAAMP CCN1C[C@]2(CCC[N@@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)CCC1=O ZINC000082099397 211160194 /nfs/dbraw/zinc/16/01/94/211160194.db2.gz GYHLRSFOLAVLFF-OAQYLSRUSA-N 2 1 375.582 3.568 50 0 GHAAMP CN(C1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000019835951 210303002 /nfs/dbraw/zinc/30/30/02/210303002.db2.gz WDUQFUXZXIYPSV-RUZDIDTESA-N 2 1 392.591 3.685 50 0 GHAAMP CN(C1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000019835951 210303008 /nfs/dbraw/zinc/30/30/08/210303008.db2.gz WDUQFUXZXIYPSV-RUZDIDTESA-N 2 1 392.591 3.685 50 0 GHAAMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)NCc3ccccc3Cl)C[C@H]2[C@H]1c1ccccc1 ZINC000106920672 570969028 /nfs/dbraw/zinc/96/90/28/570969028.db2.gz QYGUSLVJRGZLOY-TXTKFYIRSA-N 2 1 397.950 3.581 50 0 GHAAMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)NCc3ccccc3Cl)C[C@H]2[C@H]1c1ccccc1 ZINC000106920672 570969031 /nfs/dbraw/zinc/96/90/31/570969031.db2.gz QYGUSLVJRGZLOY-TXTKFYIRSA-N 2 1 397.950 3.581 50 0 GHAAMP CCC[NH+]1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000084755305 571035477 /nfs/dbraw/zinc/03/54/77/571035477.db2.gz OXCKSDCTAFWFGI-UHFFFAOYSA-N 2 1 383.330 3.574 50 0 GHAAMP COc1cc(C[NH2+]C2CCCCCCC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012592803 859448098 /nfs/dbraw/zinc/44/80/98/859448098.db2.gz QFLHEPOHBJNOEF-NRFANRHFSA-N 2 1 392.584 3.978 50 0 GHAAMP Cc1ccc([C@H](C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)[NH+](C)C)cc1 ZINC000952965957 904644033 /nfs/dbraw/zinc/64/40/33/904644033.db2.gz HMUPSEJFGXIDBP-JOCHJYFZSA-N 2 1 381.520 3.709 50 0 GHAAMP c1ccc2[nH]c(-c3ccc(C[NH2+]C4CC[NH+]([C@H]5CCOC5)CC4)cc3)nc2c1 ZINC000655715825 930487782 /nfs/dbraw/zinc/48/77/82/930487782.db2.gz OMXJZICPZGRLCU-FQEVSTJZSA-N 2 1 376.504 3.573 50 0 GHAAMP Nc1cc[nH+]c(-c2ccc(C(=O)N3CCC[N@H+](C4CCCCC4)CC3)cc2)c1 ZINC000426673951 231251496 /nfs/dbraw/zinc/25/14/96/231251496.db2.gz AFJPVEZXQIJLST-UHFFFAOYSA-N 2 1 378.520 3.811 50 0 GHAAMP Cc1[nH+]ccn1CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000019334772 210241383 /nfs/dbraw/zinc/24/13/83/210241383.db2.gz PDMIBAOMMQMBLH-QFIPXVFZSA-N 2 1 382.552 3.561 50 0 GHAAMP Cc1[nH+]ccn1CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000019334772 210241389 /nfs/dbraw/zinc/24/13/89/210241389.db2.gz PDMIBAOMMQMBLH-QFIPXVFZSA-N 2 1 382.552 3.561 50 0 GHAAMP O[C@@H]1C[N@@H+](C2CCN(c3ccccc3Cl)CC2)CC[C@H]1[NH+]1CCCCCC1 ZINC000067805424 211023788 /nfs/dbraw/zinc/02/37/88/211023788.db2.gz YJBCPIUQLQNBAD-FGZHOGPDSA-N 2 1 391.987 3.620 50 0 GHAAMP O[C@@H]1C[N@H+](C2CCN(c3ccccc3Cl)CC2)CC[C@H]1[NH+]1CCCCCC1 ZINC000067805424 211023790 /nfs/dbraw/zinc/02/37/90/211023790.db2.gz YJBCPIUQLQNBAD-FGZHOGPDSA-N 2 1 391.987 3.620 50 0 GHAAMP CN(C1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000020406338 210331886 /nfs/dbraw/zinc/33/18/86/210331886.db2.gz FOBCRSGZVSKFMD-RUZDIDTESA-N 2 1 392.591 3.685 50 0 GHAAMP CN(C1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000020406338 210331892 /nfs/dbraw/zinc/33/18/92/210331892.db2.gz FOBCRSGZVSKFMD-RUZDIDTESA-N 2 1 392.591 3.685 50 0 GHAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc4ccccc43)C[C@H]2CCO)CC1 ZINC000104513051 570259787 /nfs/dbraw/zinc/25/97/87/570259787.db2.gz VTCPZZPZFUCXIJ-XMMPIXPASA-N 2 1 395.591 3.581 50 0 GHAAMP O=C(C1CC[NH+](CC2CCCCC2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000005900260 570461099 /nfs/dbraw/zinc/46/10/99/570461099.db2.gz CWMATYPMEQNCGP-UHFFFAOYSA-N 2 1 383.580 3.623 50 0 GHAAMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000010691344 570572571 /nfs/dbraw/zinc/57/25/71/570572571.db2.gz GKBYMEVGYPPTGI-UHFFFAOYSA-N 2 1 377.532 3.631 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cnc[nH]2)C[C@@H]2CCCO2)CC1 ZINC000011936549 570594092 /nfs/dbraw/zinc/59/40/92/570594092.db2.gz UTFKQUXJHTZDHU-QHCPKHFHSA-N 2 1 382.552 3.611 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2c[nH]cn2)C[C@@H]2CCCO2)CC1 ZINC000011936549 570594094 /nfs/dbraw/zinc/59/40/94/570594094.db2.gz UTFKQUXJHTZDHU-QHCPKHFHSA-N 2 1 382.552 3.611 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2c[nH]cn2)C[C@@H]2CCCO2)CC1 ZINC000011936549 570594095 /nfs/dbraw/zinc/59/40/95/570594095.db2.gz UTFKQUXJHTZDHU-QHCPKHFHSA-N 2 1 382.552 3.611 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2nccn2C)C[C@@H]2CCCO2)CC1 ZINC000012434090 570661107 /nfs/dbraw/zinc/66/11/07/570661107.db2.gz DWJQMDQNVUQGQG-QHCPKHFHSA-N 2 1 396.579 3.622 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2nccn2C)C[C@@H]2CCCO2)CC1 ZINC000012434090 570661112 /nfs/dbraw/zinc/66/11/12/570661112.db2.gz DWJQMDQNVUQGQG-QHCPKHFHSA-N 2 1 396.579 3.622 50 0 GHAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1)C1CC[NH+](C)CC1 ZINC000012457178 570669535 /nfs/dbraw/zinc/66/95/35/570669535.db2.gz CKKHGXXHDNWUIP-LJQANCHMSA-N 2 1 397.563 3.978 50 0 GHAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1)C1CC[NH+](C)CC1 ZINC000012457176 570669557 /nfs/dbraw/zinc/66/95/57/570669557.db2.gz CKKHGXXHDNWUIP-IBGZPJMESA-N 2 1 397.563 3.978 50 0 GHAAMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000289300045 838449583 /nfs/dbraw/zinc/44/95/83/838449583.db2.gz RYOZEOGLAQCGJK-LJQANCHMSA-N 2 1 387.499 3.928 50 0 GHAAMP C[NH+](C)CCC[N@H+](C)[C@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000012438876 862368912 /nfs/dbraw/zinc/36/89/12/862368912.db2.gz OJBZWMJIDJFGBP-HNNXBMFYSA-N 2 1 386.462 3.585 50 0 GHAAMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000012438876 862368921 /nfs/dbraw/zinc/36/89/21/862368921.db2.gz OJBZWMJIDJFGBP-HNNXBMFYSA-N 2 1 386.462 3.585 50 0 GHAAMP c1cncc(-c2noc([C@H]3CCC[N@@H+](C4CCC5(CC[NH2+]CC5)CC4)C3)n2)c1 ZINC000067604281 888477298 /nfs/dbraw/zinc/47/72/98/888477298.db2.gz CCFLHPMHVBQDQX-SFHVURJKSA-N 2 1 381.524 3.623 50 0 GHAAMP CCOC(=O)N1CCC([N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCCCC2)C3)CC1 ZINC000015073701 210150728 /nfs/dbraw/zinc/15/07/28/210150728.db2.gz RMSYFWUYLOBOJF-HSZRJFAPSA-N 2 1 391.600 3.976 50 0 GHAAMP CCOC(=O)N1CCC([NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)CC1 ZINC000015073701 210150731 /nfs/dbraw/zinc/15/07/31/210150731.db2.gz RMSYFWUYLOBOJF-HSZRJFAPSA-N 2 1 391.600 3.976 50 0 GHAAMP CCOC(=O)N1CCC([NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)CC1 ZINC000015073701 210150733 /nfs/dbraw/zinc/15/07/33/210150733.db2.gz RMSYFWUYLOBOJF-HSZRJFAPSA-N 2 1 391.600 3.976 50 0 GHAAMP CC(C)(C)C[N@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C[C@@H]1CCO ZINC000039551951 570593682 /nfs/dbraw/zinc/59/36/82/570593682.db2.gz BEIJQDOEUYKRRN-IBGZPJMESA-N 2 1 393.641 3.649 50 0 GHAAMP O=C(CCC1CC[NH+](Cc2ccoc2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012057722 570603110 /nfs/dbraw/zinc/60/31/10/570603110.db2.gz DJUXLJCNUBTWFP-HSZRJFAPSA-N 2 1 395.547 3.663 50 0 GHAAMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+](CC)CCC(F)(F)F)cc1)C(C)C ZINC000170613047 570870893 /nfs/dbraw/zinc/87/08/93/570870893.db2.gz YDAAGJLRUBTXSO-UHFFFAOYSA-N 2 1 387.490 3.921 50 0 GHAAMP CC[NH+](CCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)CCC(F)(F)F ZINC000170613047 570870897 /nfs/dbraw/zinc/87/08/97/570870897.db2.gz YDAAGJLRUBTXSO-UHFFFAOYSA-N 2 1 387.490 3.921 50 0 GHAAMP CC[NH+](CCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1)CCC(F)(F)F ZINC000170613047 570870899 /nfs/dbraw/zinc/87/08/99/570870899.db2.gz YDAAGJLRUBTXSO-UHFFFAOYSA-N 2 1 387.490 3.921 50 0 GHAAMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000289656275 839560681 /nfs/dbraw/zinc/56/06/81/839560681.db2.gz ODUONUVZUJKKMJ-QGZVFWFLSA-N 2 1 380.467 3.736 50 0 GHAAMP C[C@@H]1CCC[N@H+](CCOc2ccccc2C[NH+]2CCN(c3cccnc3)CC2)C1 ZINC000822413187 862711885 /nfs/dbraw/zinc/71/18/85/862711885.db2.gz RPXXCPUVEFVAQQ-OAQYLSRUSA-N 2 1 394.563 3.515 50 0 GHAAMP C[C@@H]1CCC[N@@H+](CCOc2ccccc2C[NH+]2CCN(c3cccnc3)CC2)C1 ZINC000822413187 862711896 /nfs/dbraw/zinc/71/18/96/862711896.db2.gz RPXXCPUVEFVAQQ-OAQYLSRUSA-N 2 1 394.563 3.515 50 0 GHAAMP Cc1cc(-n2c(C)cc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)c2C)no1 ZINC000008345271 856133628 /nfs/dbraw/zinc/13/36/28/856133628.db2.gz ZSESUELENKNVKZ-UHFFFAOYSA-N 2 1 394.519 3.513 50 0 GHAAMP COCC[N@@H+](Cc1ccccc1OC[C@H](O)C[NH+](C)C1CCCCC1)C(C)C ZINC000012209110 859314148 /nfs/dbraw/zinc/31/41/48/859314148.db2.gz NSTLNQVSZDLUIT-JOCHJYFZSA-N 2 1 392.584 3.548 50 0 GHAAMP COCC[NH+](Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1)C(C)C ZINC000012209110 859314155 /nfs/dbraw/zinc/31/41/55/859314155.db2.gz NSTLNQVSZDLUIT-JOCHJYFZSA-N 2 1 392.584 3.548 50 0 GHAAMP COCC[NH+](Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1)C(C)C ZINC000012209110 859314160 /nfs/dbraw/zinc/31/41/60/859314160.db2.gz NSTLNQVSZDLUIT-JOCHJYFZSA-N 2 1 392.584 3.548 50 0 GHAAMP C[NH+]1CCN(Cc2ccc(CC3CC[NH+](Cc4ccc(O)cc4)CC3)cc2)CC1 ZINC000581810153 870041908 /nfs/dbraw/zinc/04/19/08/870041908.db2.gz BTUBGWCDKAXZAX-UHFFFAOYSA-N 2 1 393.575 3.594 50 0 GHAAMP Cc1[nH+]ccn1CC(=O)N1CCC(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000581810280 870042829 /nfs/dbraw/zinc/04/28/29/870042829.db2.gz KJVQSNVGRUVXGN-UHFFFAOYSA-N 2 1 394.563 3.659 50 0 GHAAMP Cc1cc(C[NH2+]Cc2cc3ccccc3[nH]2)c(C)c(CN2CC[NH+](C)CC2)c1 ZINC000952872496 904635627 /nfs/dbraw/zinc/63/56/27/904635627.db2.gz QNSKDGQIDYKUDF-UHFFFAOYSA-N 2 1 376.548 3.822 50 0 GHAAMP O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCC3)s2)C1)NC1CC1 ZINC000015066328 919357617 /nfs/dbraw/zinc/35/76/17/919357617.db2.gz ZQOJBHURTFZSGP-KRWDZBQOSA-N 2 1 375.582 3.615 50 0 GHAAMP C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CC[NH2+]CC2)cc1 ZINC000299779623 212037675 /nfs/dbraw/zinc/03/76/75/212037675.db2.gz KMYNTCRBXZWWEL-UHFFFAOYSA-N 2 1 395.572 3.817 50 0 GHAAMP Cn1ncc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)c1C1CC1 ZINC000096130250 211305114 /nfs/dbraw/zinc/30/51/14/211305114.db2.gz OBCZCQMFWWGJNG-OAQYLSRUSA-N 2 1 378.564 3.999 50 0 GHAAMP CC(C)=CC[NH+]1CCC(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095518109 211264317 /nfs/dbraw/zinc/26/43/17/211264317.db2.gz PANNDZILPHBJGH-HSZRJFAPSA-N 2 1 383.580 3.836 50 0 GHAAMP COc1ccc(C[NH+]2CCCCC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000095525075 211270871 /nfs/dbraw/zinc/27/08/71/211270871.db2.gz DPZZYJJDGUGNTD-JOCHJYFZSA-N 2 1 398.547 3.553 50 0 GHAAMP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@H+]2CCC3(CCCC3)C2)cc1OC ZINC000095498900 211252782 /nfs/dbraw/zinc/25/27/82/211252782.db2.gz UODKFSVBVSHZCM-FQEVSTJZSA-N 2 1 390.568 3.543 50 0 GHAAMP C[NH+](C)Cc1csc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)c1 ZINC000095382340 211231699 /nfs/dbraw/zinc/23/16/99/211231699.db2.gz IRNQTFQZKFVDPK-YLJYHZDGSA-N 2 1 383.561 3.546 50 0 GHAAMP Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(CC[NH3+])cc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095370606 211227162 /nfs/dbraw/zinc/22/71/62/211227162.db2.gz MQQAVNHQRUNOBV-ISJGIBHGSA-N 2 1 375.560 3.558 50 0 GHAAMP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000067773721 211021834 /nfs/dbraw/zinc/02/18/34/211021834.db2.gz APSYTGPMAYFPCN-NRFANRHFSA-N 2 1 391.559 3.795 50 0 GHAAMP O=C(NC1CC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000067773721 211021836 /nfs/dbraw/zinc/02/18/36/211021836.db2.gz APSYTGPMAYFPCN-NRFANRHFSA-N 2 1 391.559 3.795 50 0 GHAAMP Cc1nc2sccc2c(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)n1 ZINC000095524964 136181488 /nfs/dbraw/zinc/18/14/88/136181488.db2.gz JPBGXVLLWKIMFT-MRXNPFEDSA-N 2 1 384.553 3.532 50 0 GHAAMP CC(C)(C)C[N@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C[C@H]1CCO ZINC000105904076 570260525 /nfs/dbraw/zinc/26/05/25/570260525.db2.gz BEIJQDOEUYKRRN-LJQANCHMSA-N 2 1 393.641 3.649 50 0 GHAAMP CCc1cccc2c(C[NH2+]C[C@H](c3cccs3)N3CC[NH+](C)CC3)c[nH]c21 ZINC000022809905 570329652 /nfs/dbraw/zinc/32/96/52/570329652.db2.gz DIKNHGPJAKTYFY-HXUWFJFHSA-N 2 1 382.577 3.870 50 0 GHAAMP CC(C)CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000011813422 570583449 /nfs/dbraw/zinc/58/34/49/570583449.db2.gz WOWRFUZNTNRYFV-QFIPXVFZSA-N 2 1 385.596 3.568 50 0 GHAAMP CC(C)CCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000011813422 570583452 /nfs/dbraw/zinc/58/34/52/570583452.db2.gz WOWRFUZNTNRYFV-QFIPXVFZSA-N 2 1 385.596 3.568 50 0 GHAAMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000225567266 570588868 /nfs/dbraw/zinc/58/88/68/570588868.db2.gz SBEHPXXFVYHFCC-RXVVDRJESA-N 2 1 380.536 3.549 50 0 GHAAMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000225567266 570588871 /nfs/dbraw/zinc/58/88/71/570588871.db2.gz SBEHPXXFVYHFCC-RXVVDRJESA-N 2 1 380.536 3.549 50 0 GHAAMP Fc1ccccc1C[NH+]1CCC(C[N@@H+](C[C@H]2CCCO2)C2CCOCC2)CC1 ZINC000011873073 570589313 /nfs/dbraw/zinc/58/93/13/570589313.db2.gz YVNUKFDWJFDHBX-JOCHJYFZSA-N 2 1 390.543 3.698 50 0 GHAAMP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3ccc4nonc4c3)C2)cc1 ZINC000055182867 570686344 /nfs/dbraw/zinc/68/63/44/570686344.db2.gz OOXSVKXEELONRJ-HXUWFJFHSA-N 2 1 394.519 3.618 50 0 GHAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3ccc4nonc4c3)C2)cc1 ZINC000055182867 570686346 /nfs/dbraw/zinc/68/63/46/570686346.db2.gz OOXSVKXEELONRJ-HXUWFJFHSA-N 2 1 394.519 3.618 50 0 GHAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3ccc4nonc4c3)C2)cc1 ZINC000055182867 570686349 /nfs/dbraw/zinc/68/63/49/570686349.db2.gz OOXSVKXEELONRJ-HXUWFJFHSA-N 2 1 394.519 3.618 50 0 GHAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3ccc4nonc4c3)C2)cc1 ZINC000055182867 570686351 /nfs/dbraw/zinc/68/63/51/570686351.db2.gz OOXSVKXEELONRJ-HXUWFJFHSA-N 2 1 394.519 3.618 50 0 GHAAMP COCC[NH+]1CCC(C[N@H+](Cc2cccc(SC)c2)C[C@@H]2CCCO2)CC1 ZINC000012583349 570879982 /nfs/dbraw/zinc/87/99/82/570879982.db2.gz CJEIOMQITJCXDC-NRFANRHFSA-N 2 1 392.609 3.748 50 0 GHAAMP Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000252510186 570979082 /nfs/dbraw/zinc/97/90/82/570979082.db2.gz ZDFCYZYKWLKLBA-IBGZPJMESA-N 2 1 397.538 3.735 50 0 GHAAMP Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000252510186 570979087 /nfs/dbraw/zinc/97/90/87/570979087.db2.gz ZDFCYZYKWLKLBA-IBGZPJMESA-N 2 1 397.538 3.735 50 0 GHAAMP c1ccc2[nH]c(-c3ccc(C[NH2+]C4CC[NH+]([C@@H]5CCOC5)CC4)cc3)nc2c1 ZINC000655715828 837724460 /nfs/dbraw/zinc/72/44/60/837724460.db2.gz OMXJZICPZGRLCU-HXUWFJFHSA-N 2 1 376.504 3.573 50 0 GHAAMP CCN1CCC[C@@H]1C[N@@H+](C/C=C/c1ccccc1)CC1CC[NH+](CCOC)CC1 ZINC000023359157 836751157 /nfs/dbraw/zinc/75/11/57/836751157.db2.gz MXYIWOGWKVHMHF-XIHLAWMYSA-N 2 1 399.623 3.845 50 0 GHAAMP CC[N@@H+]1CCC[C@@H]1CN(C/C=C/c1ccccc1)CC1CC[NH+](CCOC)CC1 ZINC000023359157 836751162 /nfs/dbraw/zinc/75/11/62/836751162.db2.gz MXYIWOGWKVHMHF-XIHLAWMYSA-N 2 1 399.623 3.845 50 0 GHAAMP CC[N@H+]1CCC[C@@H]1CN(C/C=C/c1ccccc1)CC1CC[NH+](CCOC)CC1 ZINC000023359157 836751166 /nfs/dbraw/zinc/75/11/66/836751166.db2.gz MXYIWOGWKVHMHF-XIHLAWMYSA-N 2 1 399.623 3.845 50 0 GHAAMP CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(-c2nc3c(c(=O)[nH]2)C[NH2+]CC3)cc1 ZINC000023429927 837074325 /nfs/dbraw/zinc/07/43/25/837074325.db2.gz FNGFDGKNYJPAJX-JOCHJYFZSA-N 2 1 388.515 3.666 50 0 GHAAMP O[C@H](COc1cccc(C[NH2+]C2CCCCC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000012437565 862365911 /nfs/dbraw/zinc/36/59/11/862365911.db2.gz TYTXRFZYZKRIJJ-DEOSSOPVSA-N 2 1 394.559 3.907 50 0 GHAAMP COCc1ccc(C[N@@H+](CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)o1 ZINC000012475834 856011867 /nfs/dbraw/zinc/01/18/67/856011867.db2.gz SWSQDGHACDUWAJ-UHFFFAOYSA-N 2 1 386.536 3.821 50 0 GHAAMP CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000012613035 859215778 /nfs/dbraw/zinc/21/57/78/859215778.db2.gz NBABUGOEKPUTTH-HSZRJFAPSA-N 2 1 385.596 3.582 50 0 GHAAMP c1coc(-c2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](CCc4ccccc4)C3)cn2)c1 ZINC000952988437 904674330 /nfs/dbraw/zinc/67/43/30/904674330.db2.gz RJALSZMVIYTHCD-FQEVSTJZSA-N 2 1 376.504 3.781 50 0 GHAAMP c1coc(-c2ncc(C[NH2+]C[C@@H]3CCC[N@H+](CCc4ccccc4)C3)cn2)c1 ZINC000952988437 904674337 /nfs/dbraw/zinc/67/43/37/904674337.db2.gz RJALSZMVIYTHCD-FQEVSTJZSA-N 2 1 376.504 3.781 50 0 GHAAMP O=C(N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000015073088 210149477 /nfs/dbraw/zinc/14/94/77/210149477.db2.gz NSKFZRCZCOXGGN-OAQYLSRUSA-N 2 1 387.568 3.653 50 0 GHAAMP CC[N@@H+](C)C1(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[NH+]3CCC[C@H]23)CCCCC1 ZINC000299758241 212030877 /nfs/dbraw/zinc/03/08/77/212030877.db2.gz NKOXNOZHAFPUSZ-BDTNDASRSA-N 2 1 383.580 3.983 50 0 GHAAMP CC[NH+](C)C1(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CCCCC1 ZINC000299758241 212030881 /nfs/dbraw/zinc/03/08/81/212030881.db2.gz NKOXNOZHAFPUSZ-BDTNDASRSA-N 2 1 383.580 3.983 50 0 GHAAMP CC[NH+](C)C1(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)CCCCC1 ZINC000299758241 212030884 /nfs/dbraw/zinc/03/08/84/212030884.db2.gz NKOXNOZHAFPUSZ-BDTNDASRSA-N 2 1 383.580 3.983 50 0 GHAAMP O=C(c1ccc[nH]1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095518884 211264861 /nfs/dbraw/zinc/26/48/61/211264861.db2.gz PGZNMKHQBCASBH-HXUWFJFHSA-N 2 1 386.584 3.597 50 0 GHAAMP CCNc1ncc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)cn1 ZINC000091351219 211189425 /nfs/dbraw/zinc/18/94/25/211189425.db2.gz IGSKFHQVSTXWOL-OAQYLSRUSA-N 2 1 379.552 3.610 50 0 GHAAMP C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000030030801 570485467 /nfs/dbraw/zinc/48/54/67/570485467.db2.gz JXAMDACGUFRPMN-HSZRJFAPSA-N 2 1 377.532 3.801 50 0 GHAAMP C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000030030801 570485470 /nfs/dbraw/zinc/48/54/70/570485470.db2.gz JXAMDACGUFRPMN-HSZRJFAPSA-N 2 1 377.532 3.801 50 0 GHAAMP Fc1ccccc1C[NH+]1CCC(C[N@@H+](C[C@@H]2CCCO2)C2CCOCC2)CC1 ZINC000011873072 570589428 /nfs/dbraw/zinc/58/94/28/570589428.db2.gz YVNUKFDWJFDHBX-QFIPXVFZSA-N 2 1 390.543 3.698 50 0 GHAAMP CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC000011945475 570595147 /nfs/dbraw/zinc/59/51/47/570595147.db2.gz MVMPWFOBDSRGOX-HSZRJFAPSA-N 2 1 388.552 3.585 50 0 GHAAMP CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC000011945475 570595153 /nfs/dbraw/zinc/59/51/53/570595153.db2.gz MVMPWFOBDSRGOX-HSZRJFAPSA-N 2 1 388.552 3.585 50 0 GHAAMP Cc1cc(C)c(C[N@H+]2CCOc3ccc(C[NH+]4CCC(O)CC4)cc3C2)cc1C ZINC000055052806 570680026 /nfs/dbraw/zinc/68/00/26/570680026.db2.gz UANUOONSEJWLJC-UHFFFAOYSA-N 2 1 394.559 3.963 50 0 GHAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(SC)cc1 ZINC000012719107 570705766 /nfs/dbraw/zinc/70/57/66/570705766.db2.gz HWZMQVSVTZLNRR-UHFFFAOYSA-N 2 1 389.609 3.677 50 0 GHAAMP COc1ccccc1-c1nn(Cc2ccccc2)cc1C[NH2+]CCC[NH+](C)C ZINC000058170312 570714850 /nfs/dbraw/zinc/71/48/50/570714850.db2.gz VEKGRPMTXVBBDF-UHFFFAOYSA-N 2 1 378.520 3.648 50 0 GHAAMP Cc1oc2c(c1C(=O)NCC[NH+]1CCCCC1)C[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000065289691 570785304 /nfs/dbraw/zinc/78/53/04/570785304.db2.gz SHNYPBGUGNRPNW-UHFFFAOYSA-N 2 1 395.547 3.670 50 0 GHAAMP Cc1oc2c(c1C(=O)NCC[NH+]1CCCCC1)C[N@H+](Cc1ccc(C)cc1)CC2 ZINC000065289691 570785308 /nfs/dbraw/zinc/78/53/08/570785308.db2.gz SHNYPBGUGNRPNW-UHFFFAOYSA-N 2 1 395.547 3.670 50 0 GHAAMP c1ccc(C[N@H+]2C[C@H]3CCN(C4CC[NH+](Cc5ccccc5)CC4)C[C@H]32)cc1 ZINC000257193447 838974011 /nfs/dbraw/zinc/97/40/11/838974011.db2.gz RQCDDHABHXXMIN-ILBGXUMGSA-N 2 1 375.560 3.857 50 0 GHAAMP Cc1nnc([C@@H]2C[N@@H+](CCc3ccccc3)CC23CC[NH+](CC2CC2)CC3)o1 ZINC000675015238 840885113 /nfs/dbraw/zinc/88/51/13/840885113.db2.gz NHUYBMNVTBYENA-NRFANRHFSA-N 2 1 380.536 3.512 50 0 GHAAMP CSCCC[NH2+]Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011814797 858950391 /nfs/dbraw/zinc/95/03/91/858950391.db2.gz WMNVBPXXRBRNGW-FQEVSTJZSA-N 2 1 380.598 3.534 50 0 GHAAMP Cc1cc(C)c(-n2cccn2)c(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)c1 ZINC000952966891 904660838 /nfs/dbraw/zinc/66/08/38/904660838.db2.gz HFTSXBXYWOZCQY-UHFFFAOYSA-N 2 1 375.520 3.905 50 0 GHAAMP CSCCC[NH2+]Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000015069372 919357880 /nfs/dbraw/zinc/35/78/80/919357880.db2.gz FOVXJTJBFJWUGI-FQEVSTJZSA-N 2 1 380.598 3.534 50 0 GHAAMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccnc(-n4ccnc4)c3)cc2)C1 ZINC000131810032 231026032 /nfs/dbraw/zinc/02/60/32/231026032.db2.gz NAOAYIGAPSALQE-KRWDZBQOSA-N 2 1 375.476 3.752 50 0 GHAAMP Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000426518623 231234010 /nfs/dbraw/zinc/23/40/10/231234010.db2.gz BDYNRGYVBREQBT-FQEVSTJZSA-N 2 1 385.596 3.847 50 0 GHAAMP O=C(N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000015073089 210150023 /nfs/dbraw/zinc/15/00/23/210150023.db2.gz NSKFZRCZCOXGGN-NRFANRHFSA-N 2 1 387.568 3.653 50 0 GHAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NC3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000014953864 210133536 /nfs/dbraw/zinc/13/35/36/210133536.db2.gz YEJQTXDLIRAUGJ-WBOGLDCHSA-N 2 1 387.612 3.512 50 0 GHAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCc1cccc3ccccc31)CC[NH+](C)CC2 ZINC000072475045 211122514 /nfs/dbraw/zinc/12/25/14/211122514.db2.gz FTGJFAFKDZFDAE-QFIPXVFZSA-N 2 1 379.548 3.652 50 0 GHAAMP CN(C1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000020406340 210332124 /nfs/dbraw/zinc/33/21/24/210332124.db2.gz FOBCRSGZVSKFMD-VWLOTQADSA-N 2 1 392.591 3.685 50 0 GHAAMP CN(C1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000020406340 210332128 /nfs/dbraw/zinc/33/21/28/210332128.db2.gz FOBCRSGZVSKFMD-VWLOTQADSA-N 2 1 392.591 3.685 50 0 GHAAMP CCn1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000012049416 858682635 /nfs/dbraw/zinc/68/26/35/858682635.db2.gz IGZMSFRSEOBSFZ-HSZRJFAPSA-N 2 1 388.600 3.847 50 0 GHAAMP C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2)CC1 ZINC000823764828 863175768 /nfs/dbraw/zinc/17/57/68/863175768.db2.gz JIRFWIOFFFMLRB-QHCPKHFHSA-N 2 1 393.531 3.763 50 0 GHAAMP C[N@@H+](Cc1ncc[nH]1)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000095506892 211257063 /nfs/dbraw/zinc/25/70/63/211257063.db2.gz HAMXGJIDRRQJRH-UHFFFAOYSA-N 2 1 380.458 3.815 50 0 GHAAMP C[N@H+](Cc1ncc[nH]1)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000095506892 211257066 /nfs/dbraw/zinc/25/70/66/211257066.db2.gz HAMXGJIDRRQJRH-UHFFFAOYSA-N 2 1 380.458 3.815 50 0 GHAAMP Cc1oc(-c2ccc3ccccc3c2)nc1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000071714969 211052010 /nfs/dbraw/zinc/05/20/10/211052010.db2.gz KEVVORPVAWGPDA-UHFFFAOYSA-N 2 1 379.504 3.692 50 0 GHAAMP C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000020996322 210373161 /nfs/dbraw/zinc/37/31/61/210373161.db2.gz JQBYTZXUXSQJLX-RUZDIDTESA-N 2 1 392.591 3.685 50 0 GHAAMP CCc1[nH+]ccn1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000020540153 210345341 /nfs/dbraw/zinc/34/53/41/210345341.db2.gz MAEUOEWEHFYQOY-HSZRJFAPSA-N 2 1 386.584 3.730 50 0 GHAAMP CCc1[nH+]ccn1CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000020540153 210345345 /nfs/dbraw/zinc/34/53/45/210345345.db2.gz MAEUOEWEHFYQOY-HSZRJFAPSA-N 2 1 386.584 3.730 50 0 GHAAMP Cc1[nH+]ccn1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000020109495 210316520 /nfs/dbraw/zinc/31/65/20/210316520.db2.gz YWONZGMGKLVUKZ-HSZRJFAPSA-N 2 1 386.584 3.867 50 0 GHAAMP Cc1[nH+]ccn1CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000020109495 210316523 /nfs/dbraw/zinc/31/65/23/210316523.db2.gz YWONZGMGKLVUKZ-HSZRJFAPSA-N 2 1 386.584 3.867 50 0 GHAAMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000019865434 210304490 /nfs/dbraw/zinc/30/44/90/210304490.db2.gz UBMGGYQGPCAWDE-XMMPIXPASA-N 2 1 378.564 3.642 50 0 GHAAMP C[NH+](C)C[C@@H](O)COc1ccc(C[N@@H+](C)Cc2ccccc2C(F)(F)F)cc1 ZINC000011753748 570580906 /nfs/dbraw/zinc/58/09/06/570580906.db2.gz NKOBIKYJICSBCM-GOSISDBHSA-N 2 1 396.453 3.639 50 0 GHAAMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000225567294 570588762 /nfs/dbraw/zinc/58/87/62/570588762.db2.gz SBEHPXXFVYHFCC-NQIIRXRSSA-N 2 1 380.536 3.549 50 0 GHAAMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000225567294 570588764 /nfs/dbraw/zinc/58/87/64/570588764.db2.gz SBEHPXXFVYHFCC-NQIIRXRSSA-N 2 1 380.536 3.549 50 0 GHAAMP COc1ccc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cc1O ZINC000012467170 570671591 /nfs/dbraw/zinc/67/15/91/570671591.db2.gz CMLATOZLOCIBHJ-UHFFFAOYSA-N 2 1 386.511 3.926 50 0 GHAAMP CCCC[N@@H+](C)Cc1ccccc1OC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000011879351 857863585 /nfs/dbraw/zinc/86/35/85/857863585.db2.gz NCPPAJZUCAMYRV-HSZRJFAPSA-N 2 1 382.548 3.717 50 0 GHAAMP CCCC[NH+](C)Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000011879351 857863594 /nfs/dbraw/zinc/86/35/94/857863594.db2.gz NCPPAJZUCAMYRV-HSZRJFAPSA-N 2 1 382.548 3.717 50 0 GHAAMP CCCC[NH+](C)Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000011879351 857863601 /nfs/dbraw/zinc/86/36/01/857863601.db2.gz NCPPAJZUCAMYRV-HSZRJFAPSA-N 2 1 382.548 3.717 50 0 GHAAMP O=C(c1ccoc1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012578498 859434181 /nfs/dbraw/zinc/43/41/81/859434181.db2.gz UFAWRJXSCKONBN-FQEVSTJZSA-N 2 1 387.568 3.862 50 0 GHAAMP O[C@@H](COc1ccccc1C[NH2+]Cc1ccccc1Cl)C[NH+]1CCCCC1 ZINC000012755114 859557915 /nfs/dbraw/zinc/55/79/15/859557915.db2.gz BVLOFUCYGIWIRR-HXUWFJFHSA-N 2 1 388.939 3.855 50 0 GHAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2Cc3ccccc3C2)cc1 ZINC000012300981 859789342 /nfs/dbraw/zinc/78/93/42/859789342.db2.gz DTCWEPJDXRYCEL-QHCPKHFHSA-N 2 1 386.499 3.751 50 0 GHAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2Cc3ccccc3C2)cc1 ZINC000012300981 859789351 /nfs/dbraw/zinc/78/93/51/859789351.db2.gz DTCWEPJDXRYCEL-QHCPKHFHSA-N 2 1 386.499 3.751 50 0 GHAAMP CN(C)C(=O)CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](C[NH+]1Cc1ccccc1)[C@@H]23 ZINC000257187393 859839504 /nfs/dbraw/zinc/83/95/04/859839504.db2.gz LRPVJDGEUZXYOR-NXYDZRKXSA-N 2 1 383.580 3.620 50 0 GHAAMP CN(C)C(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@@H+]1Cc1ccccc1)[C@@H]23 ZINC000257187393 859839516 /nfs/dbraw/zinc/83/95/16/859839516.db2.gz LRPVJDGEUZXYOR-NXYDZRKXSA-N 2 1 383.580 3.620 50 0 GHAAMP CN(C)C(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@H+]1Cc1ccccc1)[C@@H]23 ZINC000257187393 859839525 /nfs/dbraw/zinc/83/95/25/859839525.db2.gz LRPVJDGEUZXYOR-NXYDZRKXSA-N 2 1 383.580 3.620 50 0 GHAAMP COCC[NH+]1CCC(C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@@H]2CCCO2)CC1 ZINC000012716087 919299289 /nfs/dbraw/zinc/29/92/89/919299289.db2.gz HFDFXOXRDLTTAP-IBGZPJMESA-N 2 1 398.950 3.819 50 0 GHAAMP Cc1cc(C[NH+]2CCC3(CN(CCC[N@H+](C)CC(C)C)C(=O)O3)CC2)oc1C ZINC000072473730 211122090 /nfs/dbraw/zinc/12/20/90/211122090.db2.gz LGABZNJCBFFYOJ-UHFFFAOYSA-N 2 1 391.556 3.661 50 0 GHAAMP CC(C)C[N@@H+](C)CCCN1CC2(CC[NH+](Cc3cccc(F)c3)CC2)OC1=O ZINC000072454787 211121612 /nfs/dbraw/zinc/12/16/12/211121612.db2.gz NEDSGGXKTRQEIR-UHFFFAOYSA-N 2 1 391.531 3.590 50 0 GHAAMP CO[C@H]1CC[C@@]2(OC)CC[N@@H+](Cc3cc(C[NH+]4CCCCC4)cs3)[C@H]2C1 ZINC000426661149 533262099 /nfs/dbraw/zinc/26/20/99/533262099.db2.gz ARNIYSCXDAYWFU-SESVDKBCSA-N 2 1 378.582 3.892 50 0 GHAAMP Cc1nc2sccc2c(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)n1 ZINC000095524963 136181492 /nfs/dbraw/zinc/18/14/92/136181492.db2.gz JPBGXVLLWKIMFT-INIZCTEOSA-N 2 1 384.553 3.532 50 0 GHAAMP C[C@H]1CCC[N@@H+](CCOc2ccccc2C[NH+]2CCC(c3ncc[nH]3)CC2)C1 ZINC000216127430 570296314 /nfs/dbraw/zinc/29/63/14/570296314.db2.gz MRKLCNOAYIHMPJ-IBGZPJMESA-N 2 1 382.552 3.900 50 0 GHAAMP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3ccc4nonc4c3)C2)cc1 ZINC000055182866 570686396 /nfs/dbraw/zinc/68/63/96/570686396.db2.gz OOXSVKXEELONRJ-FQEVSTJZSA-N 2 1 394.519 3.618 50 0 GHAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3ccc4nonc4c3)C2)cc1 ZINC000055182866 570686400 /nfs/dbraw/zinc/68/64/00/570686400.db2.gz OOXSVKXEELONRJ-FQEVSTJZSA-N 2 1 394.519 3.618 50 0 GHAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3ccc4nonc4c3)C2)cc1 ZINC000055182866 570686404 /nfs/dbraw/zinc/68/64/04/570686404.db2.gz OOXSVKXEELONRJ-FQEVSTJZSA-N 2 1 394.519 3.618 50 0 GHAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3ccc4nonc4c3)C2)cc1 ZINC000055182866 570686410 /nfs/dbraw/zinc/68/64/10/570686410.db2.gz OOXSVKXEELONRJ-FQEVSTJZSA-N 2 1 394.519 3.618 50 0 GHAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cnc2ccccc2c1 ZINC000012704723 570700175 /nfs/dbraw/zinc/70/01/75/570700175.db2.gz WYLFLHFHSXIPKE-UHFFFAOYSA-N 2 1 394.563 3.503 50 0 GHAAMP C[N@@H+](C[C@H](O)COc1ccccc1C[NH+]1CCC(F)(F)CC1)C1CCCCC1 ZINC000095516377 571083844 /nfs/dbraw/zinc/08/38/44/571083844.db2.gz BGSRLJQBWRCEAO-FQEVSTJZSA-N 2 1 396.522 3.922 50 0 GHAAMP Cc1nnc([C@H]2C[N@@H+](CCc3ccccc3)CC23CC[NH+](CC2CC2)CC3)o1 ZINC000675015246 840885308 /nfs/dbraw/zinc/88/53/08/840885308.db2.gz NHUYBMNVTBYENA-OAQYLSRUSA-N 2 1 380.536 3.512 50 0 GHAAMP CC[C@H](C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000040121847 856670409 /nfs/dbraw/zinc/67/04/09/856670409.db2.gz MGYXQMBMOKYVKV-OALUTQOASA-N 2 1 389.588 3.769 50 0 GHAAMP CCCN(CC1CC1)C(=O)CCC[C@H]1[NH2+]C[C@@H]2C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000257174920 859355005 /nfs/dbraw/zinc/35/50/05/859355005.db2.gz MAJQBMKPKWYACC-KMDXXIMOSA-N 2 1 397.607 3.915 50 0 GHAAMP CCc1oc(C(=O)N[C@H](C)C[N@H+]2CCc3ccccc3C2)cc1C[NH+]1CCCC1 ZINC000823570775 863127933 /nfs/dbraw/zinc/12/79/33/863127933.db2.gz QJGBXBUAGPTWRZ-GOSISDBHSA-N 2 1 395.547 3.614 50 0 GHAAMP COc1ccc(C[N@@H+]2CC[C@H](n3c(C)c[nH+]c3C3CC3)C2)cc1Cn1ccnc1 ZINC000575548956 866189013 /nfs/dbraw/zinc/18/90/13/866189013.db2.gz LRHSMVCWCSCQPX-NRFANRHFSA-N 2 1 391.519 3.769 50 0 GHAAMP COc1ccc(C[N@H+]2CC[C@H](n3c(C)c[nH+]c3C3CC3)C2)cc1Cn1ccnc1 ZINC000575548956 866189025 /nfs/dbraw/zinc/18/90/25/866189025.db2.gz LRHSMVCWCSCQPX-NRFANRHFSA-N 2 1 391.519 3.769 50 0 GHAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1)C1CC[NH+](C)CC1 ZINC000014980941 919351774 /nfs/dbraw/zinc/35/17/74/919351774.db2.gz RFJMUCZQVFCCMV-INIZCTEOSA-N 2 1 398.016 3.946 50 0 GHAAMP CCOC(=O)N1CCC([N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)CC1 ZINC000055228232 924038124 /nfs/dbraw/zinc/03/81/24/924038124.db2.gz NDFCMPMIRJZCMB-DEOSSOPVSA-N 2 1 399.579 3.904 50 0 GHAAMP CCOC(=O)N1CCC([NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)CC1 ZINC000055228232 924038136 /nfs/dbraw/zinc/03/81/36/924038136.db2.gz NDFCMPMIRJZCMB-DEOSSOPVSA-N 2 1 399.579 3.904 50 0 GHAAMP CCOC(=O)N1CCC([NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(C)c2)C3)CC1 ZINC000055228232 924038147 /nfs/dbraw/zinc/03/81/47/924038147.db2.gz NDFCMPMIRJZCMB-DEOSSOPVSA-N 2 1 399.579 3.904 50 0 GHAAMP CC1(C(=O)N(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC000015065423 210146237 /nfs/dbraw/zinc/14/62/37/210146237.db2.gz MZPUQPMZRBQFTL-FQEVSTJZSA-N 2 1 375.601 3.756 50 0 GHAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000095528787 211275553 /nfs/dbraw/zinc/27/55/53/211275553.db2.gz OVINNXCUSYBSPL-QGZVFWFLSA-N 2 1 381.948 3.526 50 0 GHAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1ccccc1 ZINC000095521312 211266909 /nfs/dbraw/zinc/26/69/09/211266909.db2.gz WEGYIEZTFRXBMH-FQEVSTJZSA-N 2 1 397.538 3.742 50 0 GHAAMP C[NH+](C)CCCn1cc[nH+]c1C1CCN(c2nccc(C3CCCC3)n2)CC1 ZINC000095520597 136181287 /nfs/dbraw/zinc/18/12/87/136181287.db2.gz RFQQRVQHPWPEHH-UHFFFAOYSA-N 2 1 382.556 3.666 50 0 GHAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3ccc(O)c(OC)c3)CC2)cc1 ZINC000012579860 570683343 /nfs/dbraw/zinc/68/33/43/570683343.db2.gz RBCRJFGVRMSITR-UHFFFAOYSA-N 2 1 398.547 3.796 50 0 GHAAMP Cc1ccc(C[N@H+](C)Cc2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)cc1 ZINC000023399500 836939842 /nfs/dbraw/zinc/93/98/42/836939842.db2.gz WRVNAQCJPMIPAK-HSZRJFAPSA-N 2 1 382.548 3.853 50 0 GHAAMP Cc1ccc(C[N@@H+]2CCOc3ccc(C[NH+]4CCC(O)CC4)cc3C2)cc1C ZINC000012055309 858707822 /nfs/dbraw/zinc/70/78/22/858707822.db2.gz WNVGFRMXTQMMPX-UHFFFAOYSA-N 2 1 380.532 3.655 50 0 GHAAMP Cc1ccc(C[N@H+]2CCOc3ccc(C[NH+]4CCC(O)CC4)cc3C2)cc1C ZINC000012055309 858707830 /nfs/dbraw/zinc/70/78/30/858707830.db2.gz WNVGFRMXTQMMPX-UHFFFAOYSA-N 2 1 380.532 3.655 50 0 GHAAMP C[C@H](c1ccc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)o1)[NH+]1CCCCC1 ZINC000952979139 904657664 /nfs/dbraw/zinc/65/76/64/904657664.db2.gz TYKUXPLAZMHHTR-MRXNPFEDSA-N 2 1 398.507 3.579 50 0 GHAAMP CC1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000012759002 919300843 /nfs/dbraw/zinc/30/08/43/919300843.db2.gz IFTWUCQQAXRYDA-JOCHJYFZSA-N 2 1 383.580 3.622 50 0 GHAAMP CC1CCN(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000012759002 919300855 /nfs/dbraw/zinc/30/08/55/919300855.db2.gz IFTWUCQQAXRYDA-JOCHJYFZSA-N 2 1 383.580 3.622 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cnn(C)c2)C[C@@H]2CCCO2)CC1 ZINC000012744995 919302462 /nfs/dbraw/zinc/30/24/62/919302462.db2.gz PQTRALSNJMTECP-DEOSSOPVSA-N 2 1 396.579 3.622 50 0 GHAAMP O=C(C1CCC1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014956388 919348318 /nfs/dbraw/zinc/34/83/18/919348318.db2.gz ONNXXNYBADSKCO-FQEVSTJZSA-N 2 1 375.601 3.756 50 0 GHAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)CC(C)(C)C ZINC000012701269 934397008 /nfs/dbraw/zinc/39/70/08/934397008.db2.gz KUZUAVOJCXZLCG-LJQANCHMSA-N 2 1 391.575 3.864 50 0 GHAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)C1=CCCC1 ZINC000015074790 210151295 /nfs/dbraw/zinc/15/12/95/210151295.db2.gz BMDOAQGWNVGLHJ-IBGZPJMESA-N 2 1 387.543 3.538 50 0 GHAAMP O=C(c1cc[nH]c1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095530774 211274765 /nfs/dbraw/zinc/27/47/65/211274765.db2.gz YWYKKISNHBEOIO-FQEVSTJZSA-N 2 1 386.584 3.597 50 0 GHAAMP Cc1c[nH]c(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000095505736 211257395 /nfs/dbraw/zinc/25/73/95/211257395.db2.gz BOBORDYTJAZCKN-OAQYLSRUSA-N 2 1 387.616 3.661 50 0 GHAAMP CC(C)Oc1ccc(C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cn1 ZINC000095462781 211243729 /nfs/dbraw/zinc/24/37/29/211243729.db2.gz MLGLRDOUEQORGM-FQEVSTJZSA-N 2 1 381.520 3.947 50 0 GHAAMP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](Oc2ccncc2)C1)c1ccc(Cl)cc1Cl ZINC000225736339 570611215 /nfs/dbraw/zinc/61/12/15/570611215.db2.gz VAQGBFRUJJAFOO-CZUORRHYSA-N 2 1 394.302 3.719 50 0 GHAAMP COc1ccc(C[NH2+]C2CCCC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012194012 570622872 /nfs/dbraw/zinc/62/28/72/570622872.db2.gz VVHJRYSTQJDXBE-JOCHJYFZSA-N 2 1 398.547 3.599 50 0 GHAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@@H](C)c3cccs3)cc2)CC1 ZINC000012558403 570860612 /nfs/dbraw/zinc/86/06/12/570860612.db2.gz IGBWIRQBRIUKLD-KRWDZBQOSA-N 2 1 386.565 3.522 50 0 GHAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@@H](C)c3cccs3)cc2)CC1 ZINC000012558403 570860613 /nfs/dbraw/zinc/86/06/13/570860613.db2.gz IGBWIRQBRIUKLD-KRWDZBQOSA-N 2 1 386.565 3.522 50 0 GHAAMP CCN1CCC[C@H]1C[N@@H+](C/C=C/c1ccccc1)CC1CC[NH+](CCOC)CC1 ZINC000023359160 836751032 /nfs/dbraw/zinc/75/10/32/836751032.db2.gz MXYIWOGWKVHMHF-JEVDYFGZSA-N 2 1 399.623 3.845 50 0 GHAAMP CC[N@@H+]1CCC[C@H]1CN(C/C=C/c1ccccc1)CC1CC[NH+](CCOC)CC1 ZINC000023359160 836751043 /nfs/dbraw/zinc/75/10/43/836751043.db2.gz MXYIWOGWKVHMHF-JEVDYFGZSA-N 2 1 399.623 3.845 50 0 GHAAMP CC[N@H+]1CCC[C@H]1CN(C/C=C/c1ccccc1)CC1CC[NH+](CCOC)CC1 ZINC000023359160 836751051 /nfs/dbraw/zinc/75/10/51/836751051.db2.gz MXYIWOGWKVHMHF-JEVDYFGZSA-N 2 1 399.623 3.845 50 0 GHAAMP Cc1nc(COc2ccc(C[N@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)cc2)cs1 ZINC000952846315 904629567 /nfs/dbraw/zinc/62/95/67/904629567.db2.gz ZOCWVTAUFNDHQE-GOSISDBHSA-N 2 1 382.533 3.921 50 0 GHAAMP Cc1nc(COc2ccc(C[N@@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)cc2)cs1 ZINC000952846315 904629573 /nfs/dbraw/zinc/62/95/73/904629573.db2.gz ZOCWVTAUFNDHQE-GOSISDBHSA-N 2 1 382.533 3.921 50 0 GHAAMP Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000952982662 904668819 /nfs/dbraw/zinc/66/88/19/904668819.db2.gz QMFXDEJICZFDMD-NRFANRHFSA-N 2 1 383.580 3.732 50 0 GHAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H]3c3cccs3)cc2)CC1 ZINC000008165679 221029314 /nfs/dbraw/zinc/02/93/14/221029314.db2.gz KGIDAMYGLXBYLK-FQEVSTJZSA-N 2 1 398.576 3.666 50 0 GHAAMP Cc1cc(C)c(C[N@@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)cc1C ZINC000011997508 221142597 /nfs/dbraw/zinc/14/25/97/221142597.db2.gz IWMIKGMQHIBEPT-XMMPIXPASA-N 2 1 382.548 3.776 50 0 GHAAMP COCC[N@H+]1CCC[C@]2(CCN(Cc3cc(C[NH+]4CCCCC4)cs3)C2)C1 ZINC000012073161 221147086 /nfs/dbraw/zinc/14/70/86/221147086.db2.gz PVNPRMWFDDWAMG-QFIPXVFZSA-N 2 1 391.625 3.668 50 0 GHAAMP Fc1cccc(C[NH+]2CCC([C@H]3CC[N@H+](CCCn4cccn4)C3)CC2)c1F ZINC000012203935 221168204 /nfs/dbraw/zinc/16/82/04/221168204.db2.gz WDVCSJDEWSKRAT-IBGZPJMESA-N 2 1 388.506 3.786 50 0 GHAAMP Fc1cccc(C[NH+]2CCC([C@H]3CC[N@@H+](CCCn4cccn4)C3)CC2)c1F ZINC000012203935 221168207 /nfs/dbraw/zinc/16/82/07/221168207.db2.gz WDVCSJDEWSKRAT-IBGZPJMESA-N 2 1 388.506 3.786 50 0 GHAAMP COc1cc(C[NH2+]C2CCCCCCC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012592809 221211828 /nfs/dbraw/zinc/21/18/28/221211828.db2.gz QFLHEPOHBJNOEF-OAQYLSRUSA-N 2 1 392.584 3.978 50 0 GHAAMP Cc1ccc([C@H](C)CC[NH+]2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)o1 ZINC000012757209 221226418 /nfs/dbraw/zinc/22/64/18/221226418.db2.gz ATCBFPXMNGCMIQ-QGZVFWFLSA-N 2 1 387.568 3.537 50 0 GHAAMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cc1CO ZINC000015070952 221331934 /nfs/dbraw/zinc/33/19/34/221331934.db2.gz UHUFYATZYFFARB-UHFFFAOYSA-N 2 1 386.536 3.823 50 0 GHAAMP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)(c2ccccc2)CC1 ZINC000015077744 221331407 /nfs/dbraw/zinc/33/14/07/221331407.db2.gz CHUIUOLQNPLLGK-QFIPXVFZSA-N 2 1 397.607 3.953 50 0 GHAAMP O=C([C@@H]1CCC[N@H+](C2CCN(c3cc[nH+]c4ccccc43)CC2)C1)N1CCCC1 ZINC000071745530 136166000 /nfs/dbraw/zinc/16/60/00/136166000.db2.gz JWTBRFUIQDPYHD-LJQANCHMSA-N 2 1 392.547 3.538 50 0 GHAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C(C)=C1c1ccccc1 ZINC000095520990 222347354 /nfs/dbraw/zinc/34/73/54/222347354.db2.gz HKMBICDYNTVWMF-XMMPIXPASA-N 2 1 395.591 3.745 50 0 GHAAMP Cc1cc(C[N@H+](C)[C@H](C)Cc2ccccn2)c(C)c(C[NH+]2CCN(C)CC2)c1 ZINC000215095687 570285652 /nfs/dbraw/zinc/28/56/52/570285652.db2.gz KAMVGAOLBYIITO-HXUWFJFHSA-N 2 1 380.580 3.509 50 0 GHAAMP Cc1cc(CN2CC[NH+](C)CC2)c(C)c(C[N@@H+](C)[C@H](C)Cc2ccccn2)c1 ZINC000215095687 570285655 /nfs/dbraw/zinc/28/56/55/570285655.db2.gz KAMVGAOLBYIITO-HXUWFJFHSA-N 2 1 380.580 3.509 50 0 GHAAMP Cc1cc(CN2CC[NH+](C)CC2)c(C)c(C[N@H+](C)[C@H](C)Cc2ccccn2)c1 ZINC000215095687 570285658 /nfs/dbraw/zinc/28/56/58/570285658.db2.gz KAMVGAOLBYIITO-HXUWFJFHSA-N 2 1 380.580 3.509 50 0 GHAAMP c1sc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1C[NH+]1CCCC1 ZINC000215977771 570293978 /nfs/dbraw/zinc/29/39/78/570293978.db2.gz NWHDRKGRKFUQTG-GOSISDBHSA-N 2 1 381.549 3.766 50 0 GHAAMP CC(C)CN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000039538061 570593474 /nfs/dbraw/zinc/59/34/74/570593474.db2.gz KQMXIOGJIVHOPN-QFIPXVFZSA-N 2 1 385.596 3.520 50 0 GHAAMP CC(C)CN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000039538061 570593477 /nfs/dbraw/zinc/59/34/77/570593477.db2.gz KQMXIOGJIVHOPN-QFIPXVFZSA-N 2 1 385.596 3.520 50 0 GHAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+](C3CCSCC3)C2)cc1 ZINC000039542142 570593605 /nfs/dbraw/zinc/59/36/05/570593605.db2.gz LLXVNFKQPQYLKJ-KRWDZBQOSA-N 2 1 384.549 3.727 50 0 GHAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+](C3CCSCC3)C2)cc1 ZINC000039542142 570593609 /nfs/dbraw/zinc/59/36/09/570593609.db2.gz LLXVNFKQPQYLKJ-KRWDZBQOSA-N 2 1 384.549 3.727 50 0 GHAAMP CCC(CC)NC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091679719 571025538 /nfs/dbraw/zinc/02/55/38/571025538.db2.gz DHWUSBUWEZQFTK-OAQYLSRUSA-N 2 1 397.607 3.635 50 0 GHAAMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc4c(c3)OCO4)CC2)cs1 ZINC000161795300 834755769 /nfs/dbraw/zinc/75/57/69/834755769.db2.gz KJJMOUIDOLHNPI-OAHLLOKOSA-N 2 1 387.549 3.997 50 0 GHAAMP C[N@@H+](C[C@H](O)COc1cccc(C[NH2+]CCc2ccco2)c1)C1CCCCC1 ZINC000011879439 857863409 /nfs/dbraw/zinc/86/34/09/857863409.db2.gz XCUWAYDHERXKEQ-NRFANRHFSA-N 2 1 386.536 3.616 50 0 GHAAMP c1sc(C[NH+]2CCN(c3ncnc4ccccc43)CC2)cc1C[NH+]1CCCC1 ZINC000670460393 893648778 /nfs/dbraw/zinc/64/87/78/893648778.db2.gz JESKJPOKRWQOEI-UHFFFAOYSA-N 2 1 393.560 3.609 50 0 GHAAMP C[NH+](C[C@H](O)COc1ccccc1C[N@H+](C)Cc1ccccn1)C1CCCCC1 ZINC000011668015 221120117 /nfs/dbraw/zinc/12/01/17/221120117.db2.gz ARYAXZHRYPXLKK-QHCPKHFHSA-N 2 1 397.563 3.718 50 0 GHAAMP C[NH+](C[C@H](O)COc1ccccc1C[N@@H+](C)Cc1ccccn1)C1CCCCC1 ZINC000011668015 221120121 /nfs/dbraw/zinc/12/01/21/221120121.db2.gz ARYAXZHRYPXLKK-QHCPKHFHSA-N 2 1 397.563 3.718 50 0 GHAAMP C[NH+](Cc1ccccn1)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011668015 221120122 /nfs/dbraw/zinc/12/01/22/221120122.db2.gz ARYAXZHRYPXLKK-QHCPKHFHSA-N 2 1 397.563 3.718 50 0 GHAAMP C[NH+](Cc1ccccn1)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011668015 221120126 /nfs/dbraw/zinc/12/01/26/221120126.db2.gz ARYAXZHRYPXLKK-QHCPKHFHSA-N 2 1 397.563 3.718 50 0 GHAAMP O[C@H](COc1ccc(C[NH2+]C2CCCCC2)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000011945365 221140103 /nfs/dbraw/zinc/14/01/03/221140103.db2.gz PNUVFOOWTKUGCG-DEOSSOPVSA-N 2 1 394.559 3.907 50 0 GHAAMP C/C(=C\c1cc(Cl)ccc1O)C[N@@H+]1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067982739 222171046 /nfs/dbraw/zinc/17/10/46/222171046.db2.gz KAARGWKEXPCQGB-GHRIWEEISA-N 2 1 377.960 3.551 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ncccn2)C[C@H]2CCCO2)CC1 ZINC000095521036 222347240 /nfs/dbraw/zinc/34/72/40/222347240.db2.gz GLMKQFZEMWMLFN-HSZRJFAPSA-N 2 1 394.563 3.678 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ncccn2)C[C@H]2CCCO2)CC1 ZINC000095521036 222347243 /nfs/dbraw/zinc/34/72/43/222347243.db2.gz GLMKQFZEMWMLFN-HSZRJFAPSA-N 2 1 394.563 3.678 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ncc[nH]2)C[C@H]2CCCO2)CC1 ZINC000095529255 222353450 /nfs/dbraw/zinc/35/34/50/222353450.db2.gz BFMGTCGRTJFKLV-JOCHJYFZSA-N 2 1 382.552 3.611 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ncc[nH]2)C[C@H]2CCCO2)CC1 ZINC000095529255 222353453 /nfs/dbraw/zinc/35/34/53/222353453.db2.gz BFMGTCGRTJFKLV-JOCHJYFZSA-N 2 1 382.552 3.611 50 0 GHAAMP Cc1c(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C2CC2)C3)cnn1C ZINC000095378530 571065867 /nfs/dbraw/zinc/06/58/67/571065867.db2.gz DHUYSSVVEHSDDR-NRFANRHFSA-N 2 1 378.564 3.963 50 0 GHAAMP c1cncc(OC2CC[NH+](Cc3ccc4c(c3)C[N@@H+](CC3CC3)CCO4)CC2)c1 ZINC000299789336 840783011 /nfs/dbraw/zinc/78/30/11/840783011.db2.gz ZSAPPQFUQTVXRS-UHFFFAOYSA-N 2 1 393.531 3.729 50 0 GHAAMP C(C[NH+]1CCCCC1)N(C[C@H]1CCC[N@H+](C2CCCC2)C1)C1CCOCC1 ZINC000022916442 846896216 /nfs/dbraw/zinc/89/62/16/846896216.db2.gz YUMNJSANMIPQQD-NRFANRHFSA-N 2 1 377.617 3.608 50 0 GHAAMP C[N@@H+](C[C@@H](O)COc1cccc(C[NH2+]CCc2ccco2)c1)C1CCCCC1 ZINC000011879438 857863886 /nfs/dbraw/zinc/86/38/86/857863886.db2.gz XCUWAYDHERXKEQ-OAQYLSRUSA-N 2 1 386.536 3.616 50 0 GHAAMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cn1 ZINC000095462780 860593046 /nfs/dbraw/zinc/59/30/46/860593046.db2.gz MLGLRDOUEQORGM-HXUWFJFHSA-N 2 1 381.520 3.947 50 0 GHAAMP COc1cc(C[N@H+](C)Cc2cc(C)cc(C)n2)ccc1OCC[NH+]1CCCC1 ZINC000952985034 904671651 /nfs/dbraw/zinc/67/16/51/904671651.db2.gz AJKSZGYZXAAJDL-UHFFFAOYSA-N 2 1 383.536 3.814 50 0 GHAAMP COc1cc(C[N@@H+](C)Cc2cc(C)cc(C)n2)ccc1OCC[NH+]1CCCC1 ZINC000952985034 904671654 /nfs/dbraw/zinc/67/16/54/904671654.db2.gz AJKSZGYZXAAJDL-UHFFFAOYSA-N 2 1 383.536 3.814 50 0 GHAAMP COCC[NH+]1CCC(C[N@H+](Cc2ccc(SC)cc2)C[C@@H]2CCCO2)CC1 ZINC000012303261 221177468 /nfs/dbraw/zinc/17/74/68/221177468.db2.gz PZISGRYADNKUAW-NRFANRHFSA-N 2 1 392.609 3.748 50 0 GHAAMP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1cccs1 ZINC000014196722 221303368 /nfs/dbraw/zinc/30/33/68/221303368.db2.gz HRDKVKSZSRHUOI-GOSISDBHSA-N 2 1 393.556 3.896 50 0 GHAAMP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3ccccc3-c3ccco3)C2)CC1 ZINC000015078540 221333004 /nfs/dbraw/zinc/33/30/04/221333004.db2.gz KYSNWKSOMJGGHD-HXUWFJFHSA-N 2 1 395.547 3.713 50 0 GHAAMP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@@H+](Cc3ccccc3-c3ccco3)C2)CC1 ZINC000015078540 221333007 /nfs/dbraw/zinc/33/30/07/221333007.db2.gz KYSNWKSOMJGGHD-HXUWFJFHSA-N 2 1 395.547 3.713 50 0 GHAAMP Cc1cc(N2CCC([C@@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)CC2)nc(N)[nH+]1 ZINC000072159254 136167288 /nfs/dbraw/zinc/16/72/88/136167288.db2.gz MNPQUXCKURRYBK-GOSISDBHSA-N 2 1 385.943 3.759 50 0 GHAAMP O[C@@H](COc1ccc(Cl)cc1C[NH+]1CCC(F)CC1)C[NH+]1CCCCCC1 ZINC000095500087 222333572 /nfs/dbraw/zinc/33/35/72/222333572.db2.gz IMGQXKGYFFACTO-HXUWFJFHSA-N 2 1 398.950 3.890 50 0 GHAAMP Cc1[nH+]ccn1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000020109496 570240424 /nfs/dbraw/zinc/24/04/24/570240424.db2.gz YWONZGMGKLVUKZ-QHCPKHFHSA-N 2 1 386.584 3.867 50 0 GHAAMP Cc1[nH+]ccn1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000020109496 570240427 /nfs/dbraw/zinc/24/04/27/570240427.db2.gz YWONZGMGKLVUKZ-QHCPKHFHSA-N 2 1 386.584 3.867 50 0 GHAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012386959 570375985 /nfs/dbraw/zinc/37/59/85/570375985.db2.gz WYNGNJQEAUYBBA-LNLBBOMNSA-N 2 1 383.580 3.793 50 0 GHAAMP CCCOc1ccc(C[N@@H+]2CC[C@]3(CO)C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177675 838719454 /nfs/dbraw/zinc/71/94/54/838719454.db2.gz XQTMQGNUNOCBSL-UKILVPOCSA-N 2 1 394.559 3.792 50 0 GHAAMP CCCOc1ccc(C[N@H+]2CC[C@]3(CO)C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177675 838719464 /nfs/dbraw/zinc/71/94/64/838719464.db2.gz XQTMQGNUNOCBSL-UKILVPOCSA-N 2 1 394.559 3.792 50 0 GHAAMP CCCOc1ccc(C[NH+]2CC[C@]3(CO)C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177675 838719478 /nfs/dbraw/zinc/71/94/78/838719478.db2.gz XQTMQGNUNOCBSL-UKILVPOCSA-N 2 1 394.559 3.792 50 0 GHAAMP CCCOc1ccc(C[NH+]2CC[C@]3(CO)C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177675 838719487 /nfs/dbraw/zinc/71/94/87/838719487.db2.gz XQTMQGNUNOCBSL-UKILVPOCSA-N 2 1 394.559 3.792 50 0 GHAAMP CCN1CCC[C@H]1C[N@H+](Cc1ccccc1C)CC1CC[NH+](CCOC)CC1 ZINC000019219243 855728662 /nfs/dbraw/zinc/72/86/62/855728662.db2.gz NWSLZYUPYNNGPT-DEOSSOPVSA-N 2 1 387.612 3.640 50 0 GHAAMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000179394757 858794379 /nfs/dbraw/zinc/79/43/79/858794379.db2.gz ZMRZTPKLUOAHKY-QFIPXVFZSA-N 2 1 396.510 3.565 50 0 GHAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2Cc3ccccc3C2)cc1 ZINC000012300983 859789184 /nfs/dbraw/zinc/78/91/84/859789184.db2.gz DTCWEPJDXRYCEL-HSZRJFAPSA-N 2 1 386.499 3.751 50 0 GHAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+]2C2Cc3ccccc3C2)cc1 ZINC000012300983 859789192 /nfs/dbraw/zinc/78/91/92/859789192.db2.gz DTCWEPJDXRYCEL-HSZRJFAPSA-N 2 1 386.499 3.751 50 0 GHAAMP CC[NH+]1CCN(CCOc2ccccc2C[N@@H+](C)Cc2sccc2C)CC1 ZINC000952963983 904642625 /nfs/dbraw/zinc/64/26/25/904642625.db2.gz MBNRAPGEGLCXNQ-UHFFFAOYSA-N 2 1 387.593 3.705 50 0 GHAAMP Cc1ccc(NC(=O)C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCCC2)cc1C ZINC000655720976 930487868 /nfs/dbraw/zinc/48/78/68/930487868.db2.gz KLKAEJNMYQNRLN-JOCHJYFZSA-N 2 1 399.579 3.645 50 0 GHAAMP CC(C)CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000011813421 221126519 /nfs/dbraw/zinc/12/65/19/221126519.db2.gz WOWRFUZNTNRYFV-JOCHJYFZSA-N 2 1 385.596 3.568 50 0 GHAAMP CC(C)CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000011813421 221126523 /nfs/dbraw/zinc/12/65/23/221126523.db2.gz WOWRFUZNTNRYFV-JOCHJYFZSA-N 2 1 385.596 3.568 50 0 GHAAMP CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)C[NH+]1CCCCC1 ZINC000011661669 221118806 /nfs/dbraw/zinc/11/88/06/221118806.db2.gz CLOHCXZHBOTHMM-HXUWFJFHSA-N 2 1 391.987 3.539 50 0 GHAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+]([C@H](C)CCc3ccccc3)CC2)CC1 ZINC000012302006 221177931 /nfs/dbraw/zinc/17/79/31/221177931.db2.gz BCAQBEOQWVHTHX-OAQYLSRUSA-N 2 1 385.596 3.664 50 0 GHAAMP CCOc1ccccc1C[N@H+](Cc1ccncc1)CC1CC[NH+](CCOC)CC1 ZINC000012194283 221165120 /nfs/dbraw/zinc/16/51/20/221165120.db2.gz XBRJHOAANJCHJA-UHFFFAOYSA-N 2 1 397.563 3.841 50 0 GHAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012592684 221211481 /nfs/dbraw/zinc/21/14/81/221211481.db2.gz DRXWBTLUMCLSSF-NRFANRHFSA-N 2 1 391.987 3.933 50 0 GHAAMP CCOc1ccc(C[N@H+]2CCN(c3cc[nH+]c4ccccc43)C[C@H]2CCO)cc1 ZINC000106946139 136196916 /nfs/dbraw/zinc/19/69/16/136196916.db2.gz LADXQJDNSIPFQP-HXUWFJFHSA-N 2 1 391.515 3.707 50 0 GHAAMP C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc3c(s2)C[NH+](C2CCCC2)C3)C1 ZINC000065239011 222114626 /nfs/dbraw/zinc/11/46/26/222114626.db2.gz BMANKRFEGGFAKM-MRXNPFEDSA-N 2 1 375.582 3.858 50 0 GHAAMP C[C@@H]1CCC[NH+](CCCNC(=O)c2cc3c(s2)C[N@@H+](C2CCCC2)C3)C1 ZINC000065239011 222114631 /nfs/dbraw/zinc/11/46/31/222114631.db2.gz BMANKRFEGGFAKM-MRXNPFEDSA-N 2 1 375.582 3.858 50 0 GHAAMP C[C@@H]1CCC[NH+](CCCNC(=O)c2cc3c(s2)C[N@H+](C2CCCC2)C3)C1 ZINC000065239011 222114635 /nfs/dbraw/zinc/11/46/35/222114635.db2.gz BMANKRFEGGFAKM-MRXNPFEDSA-N 2 1 375.582 3.858 50 0 GHAAMP Cc1noc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000095530953 222352113 /nfs/dbraw/zinc/35/21/13/222352113.db2.gz XDIVFZHWJAZULH-QFIPXVFZSA-N 2 1 398.551 3.580 50 0 GHAAMP Cc1noc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000095530953 222352115 /nfs/dbraw/zinc/35/21/15/222352115.db2.gz XDIVFZHWJAZULH-QFIPXVFZSA-N 2 1 398.551 3.580 50 0 GHAAMP C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000019865438 570226716 /nfs/dbraw/zinc/22/67/16/570226716.db2.gz UBMGGYQGPCAWDE-DEOSSOPVSA-N 2 1 378.564 3.642 50 0 GHAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC000095365299 571057923 /nfs/dbraw/zinc/05/79/23/571057923.db2.gz NVLRHVRIKTYBCZ-AKFKNWHVSA-N 2 1 397.563 3.507 50 0 GHAAMP C[N@@H+]1C[C@@H]2CCC[NH+]3CCC[C@H]([C@H]1CCCC(=O)NCCCc1ccccc1)[C@H]23 ZINC000257195433 838992049 /nfs/dbraw/zinc/99/20/49/838992049.db2.gz WCHGFZVDVRFKFT-KBOSCXGNSA-N 2 1 397.607 3.710 50 0 GHAAMP C[N@H+]1C[C@@H]2CCC[NH+]3CCC[C@H]([C@H]1CCCC(=O)NCCCc1ccccc1)[C@H]23 ZINC000257195433 838992059 /nfs/dbraw/zinc/99/20/59/838992059.db2.gz WCHGFZVDVRFKFT-KBOSCXGNSA-N 2 1 397.607 3.710 50 0 GHAAMP C[NH+]1C[C@@H]2CCC[N@@H+]3CCC[C@H]([C@H]1CCCC(=O)NCCCc1ccccc1)[C@H]23 ZINC000257195433 838992066 /nfs/dbraw/zinc/99/20/66/838992066.db2.gz WCHGFZVDVRFKFT-KBOSCXGNSA-N 2 1 397.607 3.710 50 0 GHAAMP C[NH+]1C[C@@H]2CCC[N@H+]3CCC[C@H]([C@H]1CCCC(=O)NCCCc1ccccc1)[C@H]23 ZINC000257195433 838992077 /nfs/dbraw/zinc/99/20/77/838992077.db2.gz WCHGFZVDVRFKFT-KBOSCXGNSA-N 2 1 397.607 3.710 50 0 GHAAMP CSCCC(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012477984 856008533 /nfs/dbraw/zinc/00/85/33/856008533.db2.gz DNZXQWFMLDAUDS-FQEVSTJZSA-N 2 1 395.657 3.709 50 0 GHAAMP COCC[N@@H+](Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1)C(C)C ZINC000012753099 919301329 /nfs/dbraw/zinc/30/13/29/919301329.db2.gz STQGFAIJKVQOIP-JOCHJYFZSA-N 2 1 392.584 3.548 50 0 GHAAMP COCC[NH+](Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1)C(C)C ZINC000012753099 919301342 /nfs/dbraw/zinc/30/13/42/919301342.db2.gz STQGFAIJKVQOIP-JOCHJYFZSA-N 2 1 392.584 3.548 50 0 GHAAMP COCC[NH+](Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1)C(C)C ZINC000012753099 919301375 /nfs/dbraw/zinc/30/13/75/919301375.db2.gz STQGFAIJKVQOIP-JOCHJYFZSA-N 2 1 392.584 3.548 50 0 GHAAMP Cc1ccc(C[NH2+]Cc2ccccc2OC[C@H](O)C[N@@H+](C)C2CCCCC2)o1 ZINC000012589042 221211142 /nfs/dbraw/zinc/21/11/42/221211142.db2.gz XWLUTNKTVMOSDV-OAQYLSRUSA-N 2 1 386.536 3.882 50 0 GHAAMP Cc1ccc(C[NH2+]Cc2ccccc2OC[C@H](O)C[N@H+](C)C2CCCCC2)o1 ZINC000012589042 221211144 /nfs/dbraw/zinc/21/11/44/221211144.db2.gz XWLUTNKTVMOSDV-OAQYLSRUSA-N 2 1 386.536 3.882 50 0 GHAAMP COc1cc(C[NH+]2CCCCC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000095519624 222347260 /nfs/dbraw/zinc/34/72/60/222347260.db2.gz HXWJMKPVJODLFG-OAQYLSRUSA-N 2 1 390.568 3.685 50 0 GHAAMP C[N@@H+](CCc1ccccc1)[C@H]1CCCN(C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000023361173 570356699 /nfs/dbraw/zinc/35/66/99/570356699.db2.gz KABAHLIVUIANLA-VWLOTQADSA-N 2 1 392.591 3.685 50 0 GHAAMP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCCCCC1 ZINC000006061166 570465485 /nfs/dbraw/zinc/46/54/85/570465485.db2.gz LFVDPVYUZWXEMZ-JOCHJYFZSA-N 2 1 383.580 3.766 50 0 GHAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCCCCC1 ZINC000006061166 570465488 /nfs/dbraw/zinc/46/54/88/570465488.db2.gz LFVDPVYUZWXEMZ-JOCHJYFZSA-N 2 1 383.580 3.766 50 0 GHAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012386958 570625700 /nfs/dbraw/zinc/62/57/00/570625700.db2.gz WYNGNJQEAUYBBA-PQCQUMGKSA-N 2 1 383.580 3.793 50 0 GHAAMP [NH3+]C1CC[NH+](Cc2cccc(-c3nc(-c4ccccc4Cl)cc(=O)[nH]3)c2)CC1 ZINC000048159169 570655833 /nfs/dbraw/zinc/65/58/33/570655833.db2.gz MKOXQHAOLSGTNI-UHFFFAOYSA-N 2 1 394.906 3.680 50 0 GHAAMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000252512749 570982094 /nfs/dbraw/zinc/98/20/94/570982094.db2.gz VGLFMOVCZSFDAJ-KXXHFCIOSA-N 2 1 395.522 3.677 50 0 GHAAMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000252512749 570982096 /nfs/dbraw/zinc/98/20/96/570982096.db2.gz VGLFMOVCZSFDAJ-KXXHFCIOSA-N 2 1 395.522 3.677 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cnn(C)c2)C[C@H]2CCCO2)CC1 ZINC000012744997 919300769 /nfs/dbraw/zinc/30/07/69/919300769.db2.gz PQTRALSNJMTECP-XMMPIXPASA-N 2 1 396.579 3.622 50 0 GHAAMP CSCCC[NH2+]Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000015069373 919356635 /nfs/dbraw/zinc/35/66/35/919356635.db2.gz FOVXJTJBFJWUGI-HXUWFJFHSA-N 2 1 380.598 3.534 50 0 GHAAMP O=C(C[N@H+]1CCC[C@@H]1c1cccs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000008341050 221038204 /nfs/dbraw/zinc/03/82/04/221038204.db2.gz KTDMKRMUGHALRX-HXUWFJFHSA-N 2 1 383.561 3.666 50 0 GHAAMP CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC000011945481 221141352 /nfs/dbraw/zinc/14/13/52/221141352.db2.gz MVMPWFOBDSRGOX-QHCPKHFHSA-N 2 1 388.552 3.585 50 0 GHAAMP CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC000011945481 221141354 /nfs/dbraw/zinc/14/13/54/221141354.db2.gz MVMPWFOBDSRGOX-QHCPKHFHSA-N 2 1 388.552 3.585 50 0 GHAAMP O=C(c1ccco1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014961193 221320743 /nfs/dbraw/zinc/32/07/43/221320743.db2.gz INWQANQNCFKPAJ-HXUWFJFHSA-N 2 1 387.568 3.862 50 0 GHAAMP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)(c2ccccc2)CC1 ZINC000015077742 221332075 /nfs/dbraw/zinc/33/20/75/221332075.db2.gz CHUIUOLQNPLLGK-JOCHJYFZSA-N 2 1 397.607 3.953 50 0 GHAAMP Cc1cccc(C)c1C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071749022 222189205 /nfs/dbraw/zinc/18/92/05/222189205.db2.gz LRPOEKPVESNYOZ-OAQYLSRUSA-N 2 1 383.580 3.602 50 0 GHAAMP Cc1cccc(C)c1C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071749022 222189207 /nfs/dbraw/zinc/18/92/07/222189207.db2.gz LRPOEKPVESNYOZ-OAQYLSRUSA-N 2 1 383.580 3.602 50 0 GHAAMP COc1cc(C[NH+]2CCCCC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000095519623 222347087 /nfs/dbraw/zinc/34/70/87/222347087.db2.gz HXWJMKPVJODLFG-NRFANRHFSA-N 2 1 390.568 3.685 50 0 GHAAMP CCOc1ccc(C[NH+]2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019842313 570225131 /nfs/dbraw/zinc/22/51/31/570225131.db2.gz WHUSAFQYOHHGSE-UHFFFAOYSA-N 2 1 393.575 3.868 50 0 GHAAMP CCc1cccc2c(C[NH2+]C[C@@H](c3cccs3)N3CC[NH+](C)CC3)c[nH]c21 ZINC000022809897 570329657 /nfs/dbraw/zinc/32/96/57/570329657.db2.gz DIKNHGPJAKTYFY-FQEVSTJZSA-N 2 1 382.577 3.870 50 0 GHAAMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000072309463 570532528 /nfs/dbraw/zinc/53/25/28/570532528.db2.gz UWXCYLVKTQQDTC-HSZRJFAPSA-N 2 1 395.547 3.872 50 0 GHAAMP CC[N@H+](Cc1ccc2ccccc2n1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000023339758 836652887 /nfs/dbraw/zinc/65/28/87/836652887.db2.gz ZXIVQLKLBPJLHR-UHFFFAOYSA-N 2 1 380.580 3.863 50 0 GHAAMP CC[N@@H+](Cc1ccc2ccccc2n1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000023339758 836652893 /nfs/dbraw/zinc/65/28/93/836652893.db2.gz ZXIVQLKLBPJLHR-UHFFFAOYSA-N 3 1 380.580 3.863 50 0 GHAAMP CC[N@H+](Cc1ccc2ccccc2n1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000023339758 836652898 /nfs/dbraw/zinc/65/28/98/836652898.db2.gz ZXIVQLKLBPJLHR-UHFFFAOYSA-N 3 1 380.580 3.863 50 0 GHAAMP O=C(CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](C[NH+]1Cc1ccccc1)[C@@H]23)NC1CC1 ZINC000257189400 838944439 /nfs/dbraw/zinc/94/44/39/838944439.db2.gz NUCQADKXCYXIMB-QSHYMPABSA-N 2 1 395.591 3.810 50 0 GHAAMP O=C(CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@@H+]1Cc1ccccc1)[C@@H]23)NC1CC1 ZINC000257189400 838944444 /nfs/dbraw/zinc/94/44/44/838944444.db2.gz NUCQADKXCYXIMB-QSHYMPABSA-N 2 1 395.591 3.810 50 0 GHAAMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4cccc(Br)c4)n3)C[C@H]12 ZINC000253370065 854952153 /nfs/dbraw/zinc/95/21/53/854952153.db2.gz LNHZPVKUYWUQFS-UHOFOFEASA-N 2 1 378.339 3.742 50 0 GHAAMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4cccc(Br)c4)n3)C[C@H]12 ZINC000253370065 854952156 /nfs/dbraw/zinc/95/21/56/854952156.db2.gz LNHZPVKUYWUQFS-UHOFOFEASA-N 2 1 378.339 3.742 50 0 GHAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(F)c(Cl)c1 ZINC000011879328 857863672 /nfs/dbraw/zinc/86/36/72/857863672.db2.gz TVEQFAIFTOSEOC-UHFFFAOYSA-N 2 1 395.950 3.747 50 0 GHAAMP COc1ccc(C[C@H](C)C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1F ZINC000185318497 865977366 /nfs/dbraw/zinc/97/73/66/865977366.db2.gz CNDJDSJBCRKJCB-HNNXBMFYSA-N 2 1 386.515 3.678 50 0 GHAAMP C[N@H+]1CCC[C@@H](CNC(=O)N2C[C@@H]([NH3+])C[C@H]2c2ccccc2)[C@H]1c1cccs1 ZINC000952852380 904629947 /nfs/dbraw/zinc/62/99/47/904629947.db2.gz HJTFZFIJOCEELA-IWFBPKFRSA-N 2 1 398.576 3.615 50 0 GHAAMP COCC[N@@H+](Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1)C(C)C ZINC000012753094 919300974 /nfs/dbraw/zinc/30/09/74/919300974.db2.gz STQGFAIJKVQOIP-QFIPXVFZSA-N 2 1 392.584 3.548 50 0 GHAAMP COCC[NH+](Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1)C(C)C ZINC000012753094 919300987 /nfs/dbraw/zinc/30/09/87/919300987.db2.gz STQGFAIJKVQOIP-QFIPXVFZSA-N 2 1 392.584 3.548 50 0 GHAAMP COCC[NH+](Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1)C(C)C ZINC000012753094 919301003 /nfs/dbraw/zinc/30/10/03/919301003.db2.gz STQGFAIJKVQOIP-QFIPXVFZSA-N 2 1 392.584 3.548 50 0 GHAAMP COc1cc(F)ccc1C[N@H+]1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012307747 221179318 /nfs/dbraw/zinc/17/93/18/221179318.db2.gz FJQFSQVHKISKLZ-HXUWFJFHSA-N 2 1 383.511 3.963 50 0 GHAAMP COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)Cc2cnn(C(C)C)c2)CC1 ZINC000012209902 221168391 /nfs/dbraw/zinc/16/83/91/221168391.db2.gz HTSQSUXFPPMLMW-UHFFFAOYSA-N 2 1 384.568 3.859 50 0 GHAAMP CC(C)CC[NH2+]Cc1cccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000012597311 221213165 /nfs/dbraw/zinc/21/31/65/221213165.db2.gz RMJFOFWLGOEFFU-HSZRJFAPSA-N 2 1 382.548 3.620 50 0 GHAAMP C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000012710192 221218956 /nfs/dbraw/zinc/21/89/56/221218956.db2.gz STUHIBFYWDTVLN-HSZRJFAPSA-N 2 1 382.548 3.981 50 0 GHAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)C1=CCCC1 ZINC000015074789 221330726 /nfs/dbraw/zinc/33/07/26/221330726.db2.gz BMDOAQGWNVGLHJ-LJQANCHMSA-N 2 1 387.543 3.538 50 0 GHAAMP Cc1cc(C(F)(F)F)cc(N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)[nH+]1 ZINC000095531235 136181958 /nfs/dbraw/zinc/18/19/58/136181958.db2.gz RLOSJBUMRGOKBD-OAHLLOKOSA-N 2 1 381.446 3.551 50 0 GHAAMP CCCC[NH+](CCCC)CCC[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000058357761 222051285 /nfs/dbraw/zinc/05/12/85/222051285.db2.gz VEWLVKAZOUSLHI-UHFFFAOYSA-N 2 1 378.561 3.926 50 0 GHAAMP CCN1C[C@@]2(CCC[N@@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)CCC1=O ZINC000082099394 222309404 /nfs/dbraw/zinc/30/94/04/222309404.db2.gz GYHLRSFOLAVLFF-NRFANRHFSA-N 2 1 375.582 3.568 50 0 GHAAMP C[N@H+](Cc1cnc[nH]1)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000095520966 222347025 /nfs/dbraw/zinc/34/70/25/222347025.db2.gz JKZYXVLGTDZLBP-UHFFFAOYSA-N 2 1 380.458 3.815 50 0 GHAAMP C[N@@H+](Cc1c[nH]cn1)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000095520966 222347028 /nfs/dbraw/zinc/34/70/28/222347028.db2.gz JKZYXVLGTDZLBP-UHFFFAOYSA-N 2 1 380.458 3.815 50 0 GHAAMP C[N@H+](Cc1c[nH]cn1)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000095520966 222347031 /nfs/dbraw/zinc/34/70/31/222347031.db2.gz JKZYXVLGTDZLBP-UHFFFAOYSA-N 2 1 380.458 3.815 50 0 GHAAMP CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC000058174146 570715938 /nfs/dbraw/zinc/71/59/38/570715938.db2.gz QRQJQLJLGUHPAB-OAQYLSRUSA-N 2 1 386.584 3.557 50 0 GHAAMP CC(C)(C)[NH+]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000058174146 570715940 /nfs/dbraw/zinc/71/59/40/570715940.db2.gz QRQJQLJLGUHPAB-OAQYLSRUSA-N 2 1 386.584 3.557 50 0 GHAAMP CC(C)(C)[NH+]1CCCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000058174146 570715943 /nfs/dbraw/zinc/71/59/43/570715943.db2.gz QRQJQLJLGUHPAB-OAQYLSRUSA-N 2 1 386.584 3.557 50 0 GHAAMP Cc1ccsc1C[N@@H+]1CCC[C@@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000012431470 862338041 /nfs/dbraw/zinc/33/80/41/862338041.db2.gz JSIIKCGTOAOKDB-SFHVURJKSA-N 2 1 377.598 3.601 50 0 GHAAMP CC[C@H](C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000040121845 856670354 /nfs/dbraw/zinc/67/03/54/856670354.db2.gz MGYXQMBMOKYVKV-RBUKOAKNSA-N 2 1 389.588 3.769 50 0 GHAAMP Cc1ccccc1[C@@H](C(=O)NCC[NH+]1CCC(c2ccccc2)CC1)[NH+](C)C ZINC000825235621 864348111 /nfs/dbraw/zinc/34/81/11/864348111.db2.gz VQPOZNZPWGDCGC-QHCPKHFHSA-N 2 1 379.548 3.594 50 0 GHAAMP COC[C@@H](C)[NH+]1CCC([C@@H](Cc2ccccc2)[N@@H+](C)Cc2ccncc2)CC1 ZINC000015000257 919353891 /nfs/dbraw/zinc/35/38/91/919353891.db2.gz WMKHFZPWKGHSBL-HYBUGGRVSA-N 2 1 381.564 3.872 50 0 GHAAMP [NH3+]C1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC2(CCC2)C1 ZINC000662727724 930491518 /nfs/dbraw/zinc/49/15/18/930491518.db2.gz BJPDEBCHJPTNFH-UHFFFAOYSA-N 2 1 396.362 3.736 50 0 GHAAMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)NCc3ccccc3Cl)C[C@H]2[C@@H]1c1ccccc1 ZINC000241738527 529823625 /nfs/dbraw/zinc/82/36/25/529823625.db2.gz QYGUSLVJRGZLOY-VIZSFHNOSA-N 2 1 397.950 3.581 50 0 GHAAMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)NCc3ccccc3Cl)C[C@H]2[C@@H]1c1ccccc1 ZINC000241738527 529823627 /nfs/dbraw/zinc/82/36/27/529823627.db2.gz QYGUSLVJRGZLOY-VIZSFHNOSA-N 2 1 397.950 3.581 50 0 GHAAMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)NCc3ccccc3Cl)C[C@H]2[C@@H]1c1ccccc1 ZINC000241738527 529823629 /nfs/dbraw/zinc/82/36/29/529823629.db2.gz QYGUSLVJRGZLOY-VIZSFHNOSA-N 2 1 397.950 3.581 50 0 GHAAMP CN(C)c1ncc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)s1 ZINC000011775194 221124125 /nfs/dbraw/zinc/12/41/25/221124125.db2.gz MRFLVGPPWSIYAO-UHFFFAOYSA-N 2 1 390.572 3.735 50 0 GHAAMP CN1CCC([NH+]2CCC(C[N@@H+](Cc3ccccc3)Cc3ccncc3)CC2)CC1 ZINC000012305157 221177619 /nfs/dbraw/zinc/17/76/19/221177619.db2.gz GKKLMDRZWSRCCL-UHFFFAOYSA-N 2 1 392.591 3.890 50 0 GHAAMP CC(C)CC[NH2+]Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000012597308 221212967 /nfs/dbraw/zinc/21/29/67/221212967.db2.gz RMJFOFWLGOEFFU-QHCPKHFHSA-N 2 1 382.548 3.620 50 0 GHAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)CC(C)(C)C ZINC000012701276 221217911 /nfs/dbraw/zinc/21/79/11/221217911.db2.gz KUZUAVOJCXZLCG-IBGZPJMESA-N 2 1 391.575 3.864 50 0 GHAAMP CCn1cc(C[N@H+](CC)C[C@H]2CCC[NH+](CCc3cccc(OC)c3)C2)cn1 ZINC000014962182 221321981 /nfs/dbraw/zinc/32/19/81/221321981.db2.gz GQUNFKVDJKPUNO-OAQYLSRUSA-N 2 1 384.568 3.688 50 0 GHAAMP CCn1cc(C[N@@H+](CC)C[C@H]2CCC[NH+](CCc3cccc(OC)c3)C2)cn1 ZINC000014962182 221321982 /nfs/dbraw/zinc/32/19/82/221321982.db2.gz GQUNFKVDJKPUNO-OAQYLSRUSA-N 2 1 384.568 3.688 50 0 GHAAMP CCn1cc(C[NH+](CC)C[C@H]2CCC[N@H+](CCc3cccc(OC)c3)C2)cn1 ZINC000014962182 221321986 /nfs/dbraw/zinc/32/19/86/221321986.db2.gz GQUNFKVDJKPUNO-OAQYLSRUSA-N 2 1 384.568 3.688 50 0 GHAAMP CCn1cc(C[NH+](CC)C[C@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)cn1 ZINC000014962182 221321988 /nfs/dbraw/zinc/32/19/88/221321988.db2.gz GQUNFKVDJKPUNO-OAQYLSRUSA-N 2 1 384.568 3.688 50 0 GHAAMP O=C(N[C@H]1CCC[N@H+](C2CCCCCC2)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000014979581 221323549 /nfs/dbraw/zinc/32/35/49/221323549.db2.gz VVIUMCRPPKRXNM-FQEVSTJZSA-N 2 1 387.568 3.795 50 0 GHAAMP CC[N@@H+](Cc1ccncc1)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000015066331 221330151 /nfs/dbraw/zinc/33/01/51/221330151.db2.gz QDULYCVMTJFITM-QHCPKHFHSA-N 2 1 397.563 3.719 50 0 GHAAMP CCCC[N@@H+](C)[C@@H]1c2ccccc2C2(CC[NH+](Cc3cccnc3)CC2)[C@H]1O ZINC000019148952 221399601 /nfs/dbraw/zinc/39/96/01/221399601.db2.gz JCYMKDRTWBLMFX-PKTZIBPZSA-N 2 1 379.548 3.763 50 0 GHAAMP O[C@H]1[C@H]([N@@H+]2CC=CCC2)c2ccccc2C12CC[NH+](Cc1cccs1)CC2 ZINC000020599773 570269557 /nfs/dbraw/zinc/26/95/57/570269557.db2.gz JXQXLTODZMFASW-YADHBBJMSA-N 2 1 380.557 3.959 50 0 GHAAMP C[C@@H]1CCC[N@@H+](CCOc2ccccc2C[NH+]2CCC(c3ncc[nH]3)CC2)C1 ZINC000216127388 570296001 /nfs/dbraw/zinc/29/60/01/570296001.db2.gz MRKLCNOAYIHMPJ-LJQANCHMSA-N 2 1 382.552 3.900 50 0 GHAAMP CC(=O)NC1CC[NH+](C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC000585138578 570951221 /nfs/dbraw/zinc/95/12/21/570951221.db2.gz HCPZFRNYIFWLBH-HSZRJFAPSA-N 2 1 379.548 3.503 50 0 GHAAMP CC(=O)NC1CC[NH+](C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC000585138578 570951223 /nfs/dbraw/zinc/95/12/23/570951223.db2.gz HCPZFRNYIFWLBH-HSZRJFAPSA-N 2 1 379.548 3.503 50 0 GHAAMP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000084398247 571017245 /nfs/dbraw/zinc/01/72/45/571017245.db2.gz AEQVCWSTRWZHTL-NRFANRHFSA-N 2 1 389.971 3.828 50 0 GHAAMP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000084398250 571017321 /nfs/dbraw/zinc/01/73/21/571017321.db2.gz AEQVCWSTRWZHTL-OAQYLSRUSA-N 2 1 389.971 3.828 50 0 GHAAMP Cc1nnc([C@H]2C[N@H+](CC(C)C)CC23CC[NH+](CCOc2ccccc2)CC3)o1 ZINC000675015015 840884288 /nfs/dbraw/zinc/88/42/88/840884288.db2.gz RVEVEVXWDHHXEZ-OAQYLSRUSA-N 2 1 398.551 3.594 50 0 GHAAMP CN(C(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000230237268 861751338 /nfs/dbraw/zinc/75/13/38/861751338.db2.gz XXWRUWGTPKPTDN-QPTUXGOLSA-N 2 1 391.559 3.930 50 0 GHAAMP COc1ccc(C[NH2+]CCCC2CCCC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012594075 858996934 /nfs/dbraw/zinc/99/69/34/858996934.db2.gz PCGMWYVDPQMPKA-NRFANRHFSA-N 2 1 392.584 3.835 50 0 GHAAMP C/C=C(\C)C[N@@H+]1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012582680 221209852 /nfs/dbraw/zinc/20/98/52/221209852.db2.gz GSCZOGCWCZNDEE-AFXGPORVSA-N 2 1 383.580 3.789 50 0 GHAAMP C/C=C(\C)C[N@H+]1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012582680 221209855 /nfs/dbraw/zinc/20/98/55/221209855.db2.gz GSCZOGCWCZNDEE-AFXGPORVSA-N 2 1 383.580 3.789 50 0 GHAAMP CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@H+]2CCC3(CCCC3)C2)cc1OC ZINC000095498901 222331544 /nfs/dbraw/zinc/33/15/44/222331544.db2.gz UODKFSVBVSHZCM-HXUWFJFHSA-N 2 1 390.568 3.543 50 0 GHAAMP CC1=CC[NH+](Cc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000095502096 222336518 /nfs/dbraw/zinc/33/65/18/222336518.db2.gz JTFJPFVDVWOWCP-QHCPKHFHSA-N 2 1 380.532 3.710 50 0 GHAAMP CC1=CC[N@H+](Cc2ccc(OC[C@@H](O)C[NH+](C)Cc3ccccc3)cc2)CC1 ZINC000095502096 222336520 /nfs/dbraw/zinc/33/65/20/222336520.db2.gz JTFJPFVDVWOWCP-QHCPKHFHSA-N 2 1 380.532 3.710 50 0 GHAAMP CC1=CC[N@@H+](Cc2ccc(OC[C@@H](O)C[NH+](C)Cc3ccccc3)cc2)CC1 ZINC000095502096 222336523 /nfs/dbraw/zinc/33/65/23/222336523.db2.gz JTFJPFVDVWOWCP-QHCPKHFHSA-N 2 1 380.532 3.710 50 0 GHAAMP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@H+]2CCC3(CCCC3)C2)ccc1OC ZINC000095505530 222337837 /nfs/dbraw/zinc/33/78/37/222337837.db2.gz OSKFXDNLEWOWSW-HXUWFJFHSA-N 2 1 390.568 3.543 50 0 GHAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3ccc(C(=O)NC)o3)CC2)C1 ZINC000096180374 222395178 /nfs/dbraw/zinc/39/51/78/222395178.db2.gz BQIPPBLYANFOHA-HXUWFJFHSA-N 2 1 395.547 3.731 50 0 GHAAMP CCn1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000012049414 858682128 /nfs/dbraw/zinc/68/21/28/858682128.db2.gz IGZMSFRSEOBSFZ-QHCPKHFHSA-N 2 1 388.600 3.847 50 0 GHAAMP CSCCC(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012477979 859335787 /nfs/dbraw/zinc/33/57/87/859335787.db2.gz DNZXQWFMLDAUDS-HXUWFJFHSA-N 2 1 395.657 3.709 50 0 GHAAMP COc1cccc(NC(=O)CCC[C@@H]2[C@H]3CCCN4CCC[C@@H](C[N@H+]2C)[C@@H]34)c1 ZINC000257187723 859826879 /nfs/dbraw/zinc/82/68/79/859826879.db2.gz MAKIAWXWHQVARB-HWLQVEPHSA-N 2 1 385.552 3.609 50 0 GHAAMP COc1cccc(NC(=O)CCC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](C[NH+]2C)[C@@H]34)c1 ZINC000257187723 859826885 /nfs/dbraw/zinc/82/68/85/859826885.db2.gz MAKIAWXWHQVARB-HWLQVEPHSA-N 2 1 385.552 3.609 50 0 GHAAMP COc1cccc(NC(=O)CCC[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](C[NH+]2C)[C@@H]34)c1 ZINC000257187723 859826891 /nfs/dbraw/zinc/82/68/91/859826891.db2.gz MAKIAWXWHQVARB-HWLQVEPHSA-N 2 1 385.552 3.609 50 0 GHAAMP COc1cccc(NC(=O)CCC[C@@H]2[C@H]3CCC[NH+]4CCC[C@@H](C[N@@H+]2C)[C@@H]34)c1 ZINC000257187723 859826897 /nfs/dbraw/zinc/82/68/97/859826897.db2.gz MAKIAWXWHQVARB-HWLQVEPHSA-N 2 1 385.552 3.609 50 0 GHAAMP COc1cccc(NC(=O)CCC[C@@H]2[C@H]3CCC[NH+]4CCC[C@@H](C[N@H+]2C)[C@@H]34)c1 ZINC000257187723 859826906 /nfs/dbraw/zinc/82/69/06/859826906.db2.gz MAKIAWXWHQVARB-HWLQVEPHSA-N 2 1 385.552 3.609 50 0 GHAAMP COc1cccc(C[N@@H+]2CC[C@@H](n3c(C)c[nH+]c3C3CCOCC3)C2)c1OC ZINC000575548821 866189154 /nfs/dbraw/zinc/18/91/54/866189154.db2.gz KAIHEDSUPKTHIU-LJQANCHMSA-N 2 1 385.508 3.550 50 0 GHAAMP COc1cccc(C[N@H+]2CC[C@@H](n3c(C)c[nH+]c3C3CCOCC3)C2)c1OC ZINC000575548821 866189159 /nfs/dbraw/zinc/18/91/59/866189159.db2.gz KAIHEDSUPKTHIU-LJQANCHMSA-N 2 1 385.508 3.550 50 0 GHAAMP Cc1noc(C)c1COc1ccc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000585084600 897164851 /nfs/dbraw/zinc/16/48/51/897164851.db2.gz LQYCPNDYGIWUOF-IBGZPJMESA-N 2 1 380.492 3.761 50 0 GHAAMP Cc1noc(C)c1COc1ccc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000585084600 897164858 /nfs/dbraw/zinc/16/48/58/897164858.db2.gz LQYCPNDYGIWUOF-IBGZPJMESA-N 2 1 380.492 3.761 50 0 GHAAMP O=C(NC1CCCCC1)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000014969566 919349520 /nfs/dbraw/zinc/34/95/20/919349520.db2.gz GZHCQDVREAICAK-NRFANRHFSA-N 2 1 383.580 3.812 50 0 GHAAMP O=C(NC1CCCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000014969566 919349555 /nfs/dbraw/zinc/34/95/55/919349555.db2.gz GZHCQDVREAICAK-NRFANRHFSA-N 2 1 383.580 3.812 50 0 GHAAMP O=C(NC1CCCCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000014969566 919349606 /nfs/dbraw/zinc/34/96/06/919349606.db2.gz GZHCQDVREAICAK-NRFANRHFSA-N 2 1 383.580 3.812 50 0 GHAAMP COCC[N@@H+](Cc1ccccc1OC[C@@H](O)C[NH+](C)C1CCCCC1)C(C)C ZINC000012209103 221168416 /nfs/dbraw/zinc/16/84/16/221168416.db2.gz NSTLNQVSZDLUIT-QFIPXVFZSA-N 2 1 392.584 3.548 50 0 GHAAMP COCC[NH+](Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1)C(C)C ZINC000012209103 221168418 /nfs/dbraw/zinc/16/84/18/221168418.db2.gz NSTLNQVSZDLUIT-QFIPXVFZSA-N 2 1 392.584 3.548 50 0 GHAAMP COCC[NH+](Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1)C(C)C ZINC000012209103 221168420 /nfs/dbraw/zinc/16/84/20/221168420.db2.gz NSTLNQVSZDLUIT-QFIPXVFZSA-N 2 1 392.584 3.548 50 0 GHAAMP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)cc1 ZINC000012444739 221196761 /nfs/dbraw/zinc/19/67/61/221196761.db2.gz QYUJVROBMGMRGT-HSZRJFAPSA-N 2 1 380.536 3.783 50 0 GHAAMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)cc1 ZINC000012444739 221196763 /nfs/dbraw/zinc/19/67/63/221196763.db2.gz QYUJVROBMGMRGT-HSZRJFAPSA-N 2 1 380.536 3.783 50 0 GHAAMP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)cc1 ZINC000012444739 221196767 /nfs/dbraw/zinc/19/67/67/221196767.db2.gz QYUJVROBMGMRGT-HSZRJFAPSA-N 2 1 380.536 3.783 50 0 GHAAMP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)cc1 ZINC000012444739 221196768 /nfs/dbraw/zinc/19/67/68/221196768.db2.gz QYUJVROBMGMRGT-HSZRJFAPSA-N 2 1 380.536 3.783 50 0 GHAAMP Cc1cc2c(ncnc2N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)s1 ZINC000095523587 136181227 /nfs/dbraw/zinc/18/12/27/136181227.db2.gz VYCYCHUWKSCTLT-INIZCTEOSA-N 2 1 384.553 3.532 50 0 GHAAMP CSc1ncc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cn1 ZINC000055226968 222018266 /nfs/dbraw/zinc/01/82/66/222018266.db2.gz LOSFHVMFTSGUID-UHFFFAOYSA-N 2 1 388.556 3.724 50 0 GHAAMP CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2cccc(O)c2)C[C@@]1(C)CO ZINC000019838663 570224316 /nfs/dbraw/zinc/22/43/16/570224316.db2.gz NYSRRDYDQNEYTH-COPCDDAFSA-N 2 1 388.939 3.969 50 0 GHAAMP CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2cccc(O)c2)C[C@@]1(C)CO ZINC000019838663 570224317 /nfs/dbraw/zinc/22/43/17/570224317.db2.gz NYSRRDYDQNEYTH-COPCDDAFSA-N 2 1 388.939 3.969 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cnc[nH]2)C[C@H]2CCCO2)CC1 ZINC000011936550 570594206 /nfs/dbraw/zinc/59/42/06/570594206.db2.gz UTFKQUXJHTZDHU-HSZRJFAPSA-N 2 1 382.552 3.611 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2c[nH]cn2)C[C@H]2CCCO2)CC1 ZINC000011936550 570594209 /nfs/dbraw/zinc/59/42/09/570594209.db2.gz UTFKQUXJHTZDHU-HSZRJFAPSA-N 2 1 382.552 3.611 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2c[nH]cn2)C[C@H]2CCCO2)CC1 ZINC000011936550 570594214 /nfs/dbraw/zinc/59/42/14/570594214.db2.gz UTFKQUXJHTZDHU-HSZRJFAPSA-N 2 1 382.552 3.611 50 0 GHAAMP CC[N@H+](Cc1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000023368044 836798715 /nfs/dbraw/zinc/79/87/15/836798715.db2.gz OJEGURQSKLKRGL-LJQANCHMSA-N 2 1 394.563 3.868 50 0 GHAAMP CC[NH+](Cc1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000023368044 836798723 /nfs/dbraw/zinc/79/87/23/836798723.db2.gz OJEGURQSKLKRGL-LJQANCHMSA-N 2 1 394.563 3.868 50 0 GHAAMP CC[NH+](Cc1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000023368044 836798736 /nfs/dbraw/zinc/79/87/36/836798736.db2.gz OJEGURQSKLKRGL-LJQANCHMSA-N 2 1 394.563 3.868 50 0 GHAAMP CCC[N@@H+](Cc1cnc2ccccc2n1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000660073263 839553620 /nfs/dbraw/zinc/55/36/20/839553620.db2.gz CKJKGRDBXIKAMF-UHFFFAOYSA-N 2 1 390.535 3.918 50 0 GHAAMP CCC[N@H+](Cc1cnc2ccccc2n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660073263 839553629 /nfs/dbraw/zinc/55/36/29/839553629.db2.gz CKJKGRDBXIKAMF-UHFFFAOYSA-N 2 1 390.535 3.918 50 0 GHAAMP CCC[N@@H+](Cc1cnc2ccccc2n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660073263 839553637 /nfs/dbraw/zinc/55/36/37/839553637.db2.gz CKJKGRDBXIKAMF-UHFFFAOYSA-N 2 1 390.535 3.918 50 0 GHAAMP CCN1CCC[C@H]1C[N@H+](Cc1cccc(C)c1)CC1CC[NH+](CCOC)CC1 ZINC000022919781 846982739 /nfs/dbraw/zinc/98/27/39/846982739.db2.gz HKCKHBAOKNOCJF-DEOSSOPVSA-N 2 1 387.612 3.640 50 0 GHAAMP CC[N@@H+]1CCC[C@H]1CN(Cc1cccc(C)c1)CC1CC[NH+](CCOC)CC1 ZINC000022919781 846982745 /nfs/dbraw/zinc/98/27/45/846982745.db2.gz HKCKHBAOKNOCJF-DEOSSOPVSA-N 2 1 387.612 3.640 50 0 GHAAMP CC[N@H+]1CCC[C@H]1CN(Cc1cccc(C)c1)CC1CC[NH+](CCOC)CC1 ZINC000022919781 846982748 /nfs/dbraw/zinc/98/27/48/846982748.db2.gz HKCKHBAOKNOCJF-DEOSSOPVSA-N 2 1 387.612 3.640 50 0 GHAAMP CCOCC[NH+](CCOCC)Cc1ccccc1OCC[N@H+]1CCC[C@@H](C)C1 ZINC000823324742 863034612 /nfs/dbraw/zinc/03/46/12/863034612.db2.gz YWSYYQCDNOGNTR-OAQYLSRUSA-N 2 1 392.584 3.672 50 0 GHAAMP CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000823646288 863135747 /nfs/dbraw/zinc/13/57/47/863135747.db2.gz JKYMURYAPYKGDV-JOCHJYFZSA-N 2 1 383.511 3.683 50 0 GHAAMP COc1ccc(C[C@@H](C)C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1F ZINC000185318517 865977213 /nfs/dbraw/zinc/97/72/13/865977213.db2.gz CNDJDSJBCRKJCB-OAHLLOKOSA-N 2 1 386.515 3.678 50 0 GHAAMP COCC[N@@H+]1CC[C@@H](C[NH+](C)C2CCN(c3ccc(C)c(Cl)c3)CC2)C1 ZINC000952982219 904668471 /nfs/dbraw/zinc/66/84/71/904668471.db2.gz QRIIULMHHBMLRC-SFHVURJKSA-N 2 1 379.976 3.517 50 0 GHAAMP COCC[N@H+]1CC[C@@H](C[NH+](C)C2CCN(c3ccc(C)c(Cl)c3)CC2)C1 ZINC000952982219 904668478 /nfs/dbraw/zinc/66/84/78/904668478.db2.gz QRIIULMHHBMLRC-SFHVURJKSA-N 2 1 379.976 3.517 50 0 GHAAMP COCC[NH+]1CC[C@@H](C[N@H+](C)C2CCN(c3ccc(C)c(Cl)c3)CC2)C1 ZINC000952982219 904668488 /nfs/dbraw/zinc/66/84/88/904668488.db2.gz QRIIULMHHBMLRC-SFHVURJKSA-N 2 1 379.976 3.517 50 0 GHAAMP COCC[NH+]1CC[C@@H](C[N@@H+](C)C2CCN(c3ccc(C)c(Cl)c3)CC2)C1 ZINC000952982219 904668495 /nfs/dbraw/zinc/66/84/95/904668495.db2.gz QRIIULMHHBMLRC-SFHVURJKSA-N 2 1 379.976 3.517 50 0 GHAAMP COCC[NH+]1CCC(C[N@H+](Cc2ccc(Cl)s2)C[C@H]2CCCO2)CC1 ZINC000015077205 221331179 /nfs/dbraw/zinc/33/11/79/221331179.db2.gz TWLRRYLXJRLYEK-QGZVFWFLSA-N 2 1 386.989 3.741 50 0 GHAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C(C)=C1c1ccccc1 ZINC000095520991 222346854 /nfs/dbraw/zinc/34/68/54/222346854.db2.gz HKMBICDYNTVWMF-DEOSSOPVSA-N 2 1 395.591 3.745 50 0 GHAAMP c1c(COc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)nc2ccccn12 ZINC000022820929 570330000 /nfs/dbraw/zinc/33/00/00/570330000.db2.gz MJFXNVZOHTWYRJ-UHFFFAOYSA-N 2 1 376.504 3.630 50 0 GHAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](C3CCSCC3)C2)cc1 ZINC000039542139 570593431 /nfs/dbraw/zinc/59/34/31/570593431.db2.gz LLXVNFKQPQYLKJ-QGZVFWFLSA-N 2 1 384.549 3.727 50 0 GHAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](C3CCSCC3)C2)cc1 ZINC000039542139 570593435 /nfs/dbraw/zinc/59/34/35/570593435.db2.gz LLXVNFKQPQYLKJ-QGZVFWFLSA-N 2 1 384.549 3.727 50 0 GHAAMP Cc1nn(C)cc1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095378919 571066034 /nfs/dbraw/zinc/06/60/34/571066034.db2.gz SETWYODBOYNLBY-NRFANRHFSA-N 2 1 378.564 3.963 50 0 GHAAMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000823712739 863166402 /nfs/dbraw/zinc/16/64/02/863166402.db2.gz RHMOYWPPWRKUNN-QFIPXVFZSA-N 2 1 383.511 3.731 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](C[C@H]2CCCO2)C2CCN(C)CC2)CC1 ZINC000020450657 919640566 /nfs/dbraw/zinc/64/05/66/919640566.db2.gz GHMBWTPSAAHQBW-RUZDIDTESA-N 2 1 399.623 3.782 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](C[C@H]2CCCO2)C2CC[NH+](C)CC2)CC1 ZINC000020450657 919640574 /nfs/dbraw/zinc/64/05/74/919640574.db2.gz GHMBWTPSAAHQBW-RUZDIDTESA-N 3 1 399.623 3.782 50 0 GHAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](C[C@H]2CCCO2)C2CC[NH+](C)CC2)CC1 ZINC000020450657 919640581 /nfs/dbraw/zinc/64/05/81/919640581.db2.gz GHMBWTPSAAHQBW-RUZDIDTESA-N 3 1 399.623 3.782 50 0 GHAAMP COc1cc(C[NH2+]C2CCCC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011815233 221127791 /nfs/dbraw/zinc/12/77/91/221127791.db2.gz BCVDODJZOAEKHH-OAQYLSRUSA-N 2 1 390.568 3.732 50 0 GHAAMP CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)C[NH+]1CCCCC1 ZINC000011661668 221118331 /nfs/dbraw/zinc/11/83/31/221118331.db2.gz CLOHCXZHBOTHMM-FQEVSTJZSA-N 2 1 391.987 3.539 50 0 GHAAMP Cc1cc(C)c(C[N@@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)cc1C ZINC000011997511 221142539 /nfs/dbraw/zinc/14/25/39/221142539.db2.gz IWMIKGMQHIBEPT-DEOSSOPVSA-N 2 1 382.548 3.776 50 0 GHAAMP CC[N@H+](CCCn1cccn1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012706036 221219066 /nfs/dbraw/zinc/21/90/66/221219066.db2.gz CLHLUBHFBMEXNC-QFIPXVFZSA-N 2 1 384.568 3.558 50 0 GHAAMP CC[N@@H+](CCCn1cccn1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012706036 221219070 /nfs/dbraw/zinc/21/90/70/221219070.db2.gz CLHLUBHFBMEXNC-QFIPXVFZSA-N 2 1 384.568 3.558 50 0 GHAAMP CC[NH+](CCCn1cccn1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012706036 221219074 /nfs/dbraw/zinc/21/90/74/221219074.db2.gz CLHLUBHFBMEXNC-QFIPXVFZSA-N 2 1 384.568 3.558 50 0 GHAAMP CC[NH+](CCCn1cccn1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012706036 221219076 /nfs/dbraw/zinc/21/90/76/221219076.db2.gz CLHLUBHFBMEXNC-QFIPXVFZSA-N 2 1 384.568 3.558 50 0 GHAAMP O=C(NCc1ccccc1)[C@@H]1CCC[N@H+](C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000015071470 221330469 /nfs/dbraw/zinc/33/04/69/221330469.db2.gz FUXOBWAKANHNQA-JOCHJYFZSA-N 2 1 383.580 3.669 50 0 GHAAMP C[C@@H]1CCC[N@@H+](CCOc2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)C1 ZINC000055211997 222017531 /nfs/dbraw/zinc/01/75/31/222017531.db2.gz IWEKLEIKWOMILL-GOSISDBHSA-N 2 1 382.504 3.816 50 0 GHAAMP CCOc1cc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1OC ZINC000067453074 222147385 /nfs/dbraw/zinc/14/73/85/222147385.db2.gz HYUGKXWPCQCSBS-IYBDPMFKSA-N 2 1 384.948 3.726 50 0 GHAAMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000240897320 570431327 /nfs/dbraw/zinc/43/13/27/570431327.db2.gz ISDVVXGHEAQOSG-YJBOKZPZSA-N 2 1 385.474 3.747 50 0 GHAAMP CC[C@H](C)CNC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000055054757 570680624 /nfs/dbraw/zinc/68/06/24/570680624.db2.gz NAJRBHQFIYALEQ-IBGZPJMESA-N 2 1 385.596 3.834 50 0 GHAAMP O=C([C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCCCCC1 ZINC000014980448 919351467 /nfs/dbraw/zinc/35/14/67/919351467.db2.gz RMNYKUUDABEDQM-QHCPKHFHSA-N 2 1 397.607 3.808 50 0 GHAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCCCCC1 ZINC000014980448 919351484 /nfs/dbraw/zinc/35/14/84/919351484.db2.gz RMNYKUUDABEDQM-QHCPKHFHSA-N 2 1 397.607 3.808 50 0 GHAAMP COC[C@H](C)[NH+]1CCC([C@H](Cc2ccccc2)[N@@H+](C)Cc2ccncc2)CC1 ZINC000015000265 919353703 /nfs/dbraw/zinc/35/37/03/919353703.db2.gz WMKHFZPWKGHSBL-RDPSFJRHSA-N 2 1 381.564 3.872 50 0 GHAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+](CC[C@H](C)c3ccc(C)o3)CC2)CC1 ZINC000011773176 221125176 /nfs/dbraw/zinc/12/51/76/221125176.db2.gz DMCYINWBBHCBCJ-IBGZPJMESA-N 2 1 389.584 3.738 50 0 GHAAMP CCn1ncc(C[N@H+](CC)C[C@@H]2CCC[NH+](CCc3cccc(OC)c3)C2)c1C ZINC000011878325 221134506 /nfs/dbraw/zinc/13/45/06/221134506.db2.gz HHYIQVDEDBQOKS-QFIPXVFZSA-N 2 1 398.595 3.997 50 0 GHAAMP CCn1ncc(C[N@@H+](CC)C[C@@H]2CCC[NH+](CCc3cccc(OC)c3)C2)c1C ZINC000011878325 221134510 /nfs/dbraw/zinc/13/45/10/221134510.db2.gz HHYIQVDEDBQOKS-QFIPXVFZSA-N 2 1 398.595 3.997 50 0 GHAAMP CCn1ncc(C[NH+](CC)C[C@@H]2CCC[N@H+](CCc3cccc(OC)c3)C2)c1C ZINC000011878325 221134512 /nfs/dbraw/zinc/13/45/12/221134512.db2.gz HHYIQVDEDBQOKS-QFIPXVFZSA-N 2 1 398.595 3.997 50 0 GHAAMP CCn1ncc(C[NH+](CC)C[C@@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)c1C ZINC000011878325 221134513 /nfs/dbraw/zinc/13/45/13/221134513.db2.gz HHYIQVDEDBQOKS-QFIPXVFZSA-N 2 1 398.595 3.997 50 0 GHAAMP COc1ccc(CC[N@H+](Cc2ccc(OC)c(O)c2)CC2CC[NH+](C)CC2)cc1 ZINC000012466015 221198494 /nfs/dbraw/zinc/19/84/94/221198494.db2.gz QPHCPWGHRNYPHZ-UHFFFAOYSA-N 2 1 398.547 3.796 50 0 GHAAMP c1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc2nonc12 ZINC000012703195 221219035 /nfs/dbraw/zinc/21/90/35/221219035.db2.gz PVKGSKRMVOBPSV-NRFANRHFSA-N 2 1 398.551 3.858 50 0 GHAAMP c1ccc2c(c1)CC([NH+]1CCC(C[N@H+](C[C@@H]3CCCO3)C3CCOCC3)CC1)C2 ZINC000012707897 221219091 /nfs/dbraw/zinc/21/90/91/221219091.db2.gz GYWWWVLQUMXMCX-VWLOTQADSA-N 2 1 398.591 3.526 50 0 GHAAMP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000095508480 136180560 /nfs/dbraw/zinc/18/05/60/136180560.db2.gz WBWXUVFHCMKNLF-OAHLLOKOSA-N 2 1 381.446 3.633 50 0 GHAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000072141996 222210372 /nfs/dbraw/zinc/21/03/72/222210372.db2.gz BAMVAKMJSNYOSX-FCEUIQTBSA-N 2 1 392.971 3.679 50 0 GHAAMP C[N@@H+](C[C@@H]1CCOC1)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000095528886 222352707 /nfs/dbraw/zinc/35/27/07/222352707.db2.gz VDJACOJFQRZQCO-IBGZPJMESA-N 2 1 384.486 3.928 50 0 GHAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000095528788 222353721 /nfs/dbraw/zinc/35/37/21/222353721.db2.gz OVINNXCUSYBSPL-KRWDZBQOSA-N 2 1 381.948 3.526 50 0 GHAAMP Cc1ccc(C[N@H+](C)Cc2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2)cc1 ZINC000023399497 836939731 /nfs/dbraw/zinc/93/97/31/836939731.db2.gz WRVNAQCJPMIPAK-QHCPKHFHSA-N 2 1 382.548 3.853 50 0 GHAAMP Cc1cc(C)cc(CNC(=O)[C@@H]2C[C@H](C[NH+]3CCCC3)C[N@H+](CC(C)C)C2)c1 ZINC000014747783 919338407 /nfs/dbraw/zinc/33/84/07/919338407.db2.gz PIENOLBUMRPFOD-DHIUTWEWSA-N 2 1 385.596 3.610 50 0 GHAAMP CC[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2n(CC[NH+](C)C)c1=O ZINC000014887014 919345908 /nfs/dbraw/zinc/34/59/08/919345908.db2.gz AGGBUDZWKRRPEY-UHFFFAOYSA-N 2 1 377.532 3.894 50 0 GHAAMP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C1CC[NH+](C)CC1 ZINC000011873115 212077134 /nfs/dbraw/zinc/07/71/34/212077134.db2.gz ZHSUUGMAQLZNQQ-QGZVFWFLSA-N 2 1 393.522 3.510 50 0 GHAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C1CC[NH+](C)CC1 ZINC000011873115 212077137 /nfs/dbraw/zinc/07/71/37/212077137.db2.gz ZHSUUGMAQLZNQQ-QGZVFWFLSA-N 2 1 393.522 3.510 50 0 GHAAMP COCC[NH+]1CCC(C[N@H+](Cc2cccc(Cl)c2)C[C@@H]2CCCO2)CC1 ZINC000012298255 221175827 /nfs/dbraw/zinc/17/58/27/221175827.db2.gz PAQYLOQUJFBYBW-NRFANRHFSA-N 2 1 380.960 3.679 50 0 GHAAMP CCOc1ccc(C[N@@H+](CCc2ccccc2)C[C@H]2CCC[NH+](C)C2)cc1CO ZINC000012581685 221209819 /nfs/dbraw/zinc/20/98/19/221209819.db2.gz LRRWFLPFHPFGNV-QHCPKHFHSA-N 2 1 396.575 3.964 50 0 GHAAMP CCOc1ccc(C[NH+](CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)cc1CO ZINC000012581685 221209822 /nfs/dbraw/zinc/20/98/22/221209822.db2.gz LRRWFLPFHPFGNV-QHCPKHFHSA-N 2 1 396.575 3.964 50 0 GHAAMP CCOc1ccc(C[NH+](CCc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)cc1CO ZINC000012581685 221209824 /nfs/dbraw/zinc/20/98/24/221209824.db2.gz LRRWFLPFHPFGNV-QHCPKHFHSA-N 2 1 396.575 3.964 50 0 GHAAMP O=C(c1ccoc1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012578490 221210464 /nfs/dbraw/zinc/21/04/64/221210464.db2.gz UFAWRJXSCKONBN-HXUWFJFHSA-N 2 1 387.568 3.862 50 0 GHAAMP Cc1cc(C)c(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1C ZINC000012717951 221221667 /nfs/dbraw/zinc/22/16/67/221221667.db2.gz VSJJCYUNECWJDC-FQEVSTJZSA-N 2 1 383.580 3.567 50 0 GHAAMP Cc1cc(C)c(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1C ZINC000012717951 221221671 /nfs/dbraw/zinc/22/16/71/221221671.db2.gz VSJJCYUNECWJDC-FQEVSTJZSA-N 2 1 383.580 3.567 50 0 GHAAMP CCn1cc(C[N@H+](CC)C[C@@H]2CCC[NH+](CCc3cccc(OC)c3)C2)cn1 ZINC000014962178 221321701 /nfs/dbraw/zinc/32/17/01/221321701.db2.gz GQUNFKVDJKPUNO-NRFANRHFSA-N 2 1 384.568 3.688 50 0 GHAAMP CCn1cc(C[N@@H+](CC)C[C@@H]2CCC[NH+](CCc3cccc(OC)c3)C2)cn1 ZINC000014962178 221321706 /nfs/dbraw/zinc/32/17/06/221321706.db2.gz GQUNFKVDJKPUNO-NRFANRHFSA-N 2 1 384.568 3.688 50 0 GHAAMP CCn1cc(C[NH+](CC)C[C@@H]2CCC[N@H+](CCc3cccc(OC)c3)C2)cn1 ZINC000014962178 221321709 /nfs/dbraw/zinc/32/17/09/221321709.db2.gz GQUNFKVDJKPUNO-NRFANRHFSA-N 2 1 384.568 3.688 50 0 GHAAMP CCn1cc(C[NH+](CC)C[C@@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)cn1 ZINC000014962178 221321712 /nfs/dbraw/zinc/32/17/12/221321712.db2.gz GQUNFKVDJKPUNO-NRFANRHFSA-N 2 1 384.568 3.688 50 0 GHAAMP Cc1noc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000095530954 222352003 /nfs/dbraw/zinc/35/20/03/222352003.db2.gz XDIVFZHWJAZULH-JOCHJYFZSA-N 2 1 398.551 3.580 50 0 GHAAMP Cc1noc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000095530954 222352006 /nfs/dbraw/zinc/35/20/06/222352006.db2.gz XDIVFZHWJAZULH-JOCHJYFZSA-N 2 1 398.551 3.580 50 0 GHAAMP O=C(c1cc[nH]c1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095530773 222353000 /nfs/dbraw/zinc/35/30/00/222353000.db2.gz YWYKKISNHBEOIO-HXUWFJFHSA-N 2 1 386.584 3.597 50 0 GHAAMP Cc1ccc(C[NH+]2CCC3(CC2)CC[N@@H+](Cc2cccnc2)C[C@@H]3CO)s1 ZINC000097425016 570243815 /nfs/dbraw/zinc/24/38/15/570243815.db2.gz FORISTLTXGKYOG-HXUWFJFHSA-N 2 1 385.577 3.548 50 0 GHAAMP C[NH+]1CCN(C(=O)CCCc2cn(C[NH+]3CCCCCC3)c3ccccc23)CC1 ZINC000020647493 570274015 /nfs/dbraw/zinc/27/40/15/570274015.db2.gz SYJARPOEBVUAKY-UHFFFAOYSA-N 2 1 396.579 3.572 50 0 GHAAMP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCCCCC1 ZINC000006061163 570465149 /nfs/dbraw/zinc/46/51/49/570465149.db2.gz LFVDPVYUZWXEMZ-QFIPXVFZSA-N 2 1 383.580 3.766 50 0 GHAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCCCCC1 ZINC000006061163 570465152 /nfs/dbraw/zinc/46/51/52/570465152.db2.gz LFVDPVYUZWXEMZ-QFIPXVFZSA-N 2 1 383.580 3.766 50 0 GHAAMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000089904813 570919189 /nfs/dbraw/zinc/91/91/89/570919189.db2.gz ISDVVXGHEAQOSG-CRAIPNDOSA-N 2 1 385.474 3.747 50 0 GHAAMP C[N@@H+]1C[C@@H]2CCC[NH+]3CCC[C@H]([C@H]1CCCC(=O)NCC1CCCCC1)[C@H]23 ZINC000257197309 839015786 /nfs/dbraw/zinc/01/57/86/839015786.db2.gz ZUZAXUFILWAGAP-GNXKAVGDSA-N 2 1 375.601 3.658 50 0 GHAAMP C[N@H+]1C[C@@H]2CCC[NH+]3CCC[C@H]([C@H]1CCCC(=O)NCC1CCCCC1)[C@H]23 ZINC000257197309 839015795 /nfs/dbraw/zinc/01/57/95/839015795.db2.gz ZUZAXUFILWAGAP-GNXKAVGDSA-N 2 1 375.601 3.658 50 0 GHAAMP C[NH+]1C[C@@H]2CCC[N@@H+]3CCC[C@H]([C@H]1CCCC(=O)NCC1CCCCC1)[C@H]23 ZINC000257197309 839015801 /nfs/dbraw/zinc/01/58/01/839015801.db2.gz ZUZAXUFILWAGAP-GNXKAVGDSA-N 2 1 375.601 3.658 50 0 GHAAMP C[NH+]1C[C@@H]2CCC[N@H+]3CCC[C@H]([C@H]1CCCC(=O)NCC1CCCCC1)[C@H]23 ZINC000257197309 839015809 /nfs/dbraw/zinc/01/58/09/839015809.db2.gz ZUZAXUFILWAGAP-GNXKAVGDSA-N 2 1 375.601 3.658 50 0 GHAAMP CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000012613030 859216198 /nfs/dbraw/zinc/21/61/98/859216198.db2.gz NBABUGOEKPUTTH-QHCPKHFHSA-N 2 1 385.596 3.582 50 0 GHAAMP O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCC3)s2)C1)NC1CC1 ZINC000015066329 919356849 /nfs/dbraw/zinc/35/68/49/919356849.db2.gz ZQOJBHURTFZSGP-QGZVFWFLSA-N 2 1 375.582 3.615 50 0 GHAAMP [NH3+]CC[C@H]1C[N@H+](C2CCN(c3cccc(-c4cccc(F)c4)c3)CC2)CCO1 ZINC000020363398 919633449 /nfs/dbraw/zinc/63/34/49/919633449.db2.gz BMUPDBYRWBIJJE-QHCPKHFHSA-N 2 1 383.511 3.511 50 0 GHAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1csc(C(C)C)n1 ZINC000011764869 221125052 /nfs/dbraw/zinc/12/50/52/221125052.db2.gz DIKUQCUVZCIUAM-UHFFFAOYSA-N 2 1 392.613 3.535 50 0 GHAAMP C[NH+](C)C[C@@H](O)COc1ccc(C[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012074921 221148300 /nfs/dbraw/zinc/14/83/00/221148300.db2.gz MWJMKKNHIBAEGP-JOFGVTMCSA-N 2 1 386.580 3.636 50 0 GHAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3cc(C)[nH+]c(NC)n3)CC2)C1 ZINC000095353112 136177854 /nfs/dbraw/zinc/17/78/54/136177854.db2.gz VOBRQEQQYJVEND-FQEVSTJZSA-N 2 1 379.552 3.923 50 0 GHAAMP COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)Cc2cccc(C(C)=O)c2)CC1 ZINC000055183218 222017783 /nfs/dbraw/zinc/01/77/83/222017783.db2.gz SPIIOLMDGPKAOM-UHFFFAOYSA-N 2 1 395.547 3.645 50 0 GHAAMP Cc1ccc(C[N@@H+]2CCC3(CC[NH+](C(C)C)CC3)[C@H](CO)C2)c2cccnc12 ZINC000097785636 222450775 /nfs/dbraw/zinc/45/07/75/222450775.db2.gz RQQJCARAKWWXGS-NRFANRHFSA-N 2 1 381.564 3.848 50 0 GHAAMP c1sc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1C[NH+]1CCCC1 ZINC000215977817 570293949 /nfs/dbraw/zinc/29/39/49/570293949.db2.gz NWHDRKGRKFUQTG-SFHVURJKSA-N 2 1 381.549 3.766 50 0 GHAAMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4cccc(Br)c4)n3)C[C@@H]12 ZINC000221818399 570401810 /nfs/dbraw/zinc/40/18/10/570401810.db2.gz LNHZPVKUYWUQFS-DAXOMENPSA-N 2 1 378.339 3.742 50 0 GHAAMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4cccc(Br)c4)n3)C[C@@H]12 ZINC000221818399 570401813 /nfs/dbraw/zinc/40/18/13/570401813.db2.gz LNHZPVKUYWUQFS-DAXOMENPSA-N 2 1 378.339 3.742 50 0 GHAAMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000252512750 570982436 /nfs/dbraw/zinc/98/24/36/570982436.db2.gz VGLFMOVCZSFDAJ-OPYAIIAOSA-N 2 1 395.522 3.677 50 0 GHAAMP CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]C2CCSCC2)C[C@@]1(C)CO ZINC000011843862 857580039 /nfs/dbraw/zinc/58/00/39/857580039.db2.gz URTWNWSOUZJGHU-UXPWSPDFSA-N 2 1 383.001 3.959 50 0 GHAAMP CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]C2CCSCC2)C[C@@]1(C)CO ZINC000011843862 857580043 /nfs/dbraw/zinc/58/00/43/857580043.db2.gz URTWNWSOUZJGHU-UXPWSPDFSA-N 2 1 383.001 3.959 50 0 GHAAMP O=C(C[NH+]1CCCCCC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012022703 858539534 /nfs/dbraw/zinc/53/95/34/858539534.db2.gz RMBYCTBPJJWXIH-QHCPKHFHSA-N 2 1 387.543 3.516 50 0 GHAAMP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000012204185 859302525 /nfs/dbraw/zinc/30/25/25/859302525.db2.gz JHOWALXUEKZYMO-NRFANRHFSA-N 2 1 385.596 3.848 50 0 GHAAMP CCc1oc(C(=O)N[C@@H](C)C[N@H+]2CCc3ccccc3C2)cc1C[NH+]1CCCC1 ZINC000823570778 863127982 /nfs/dbraw/zinc/12/79/82/863127982.db2.gz QJGBXBUAGPTWRZ-SFHVURJKSA-N 2 1 395.547 3.614 50 0 GHAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)CC1 ZINC000952970916 904648957 /nfs/dbraw/zinc/64/89/57/904648957.db2.gz UFNSBDGJNCAYTM-UHFFFAOYSA-N 2 1 398.514 3.812 50 0 GHAAMP C[NH+](C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000012438875 221194762 /nfs/dbraw/zinc/19/47/62/221194762.db2.gz OJBZWMJIDJFGBP-OAHLLOKOSA-N 2 1 386.462 3.585 50 0 GHAAMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000012438875 221194766 /nfs/dbraw/zinc/19/47/66/221194766.db2.gz OJBZWMJIDJFGBP-OAHLLOKOSA-N 2 1 386.462 3.585 50 0 GHAAMP CCCn1cc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(OC)cc3)CC2)c(C)n1 ZINC000012576445 221208412 /nfs/dbraw/zinc/20/84/12/221208412.db2.gz XLAQWKZQOVTYEO-UHFFFAOYSA-N 2 1 398.595 3.997 50 0 GHAAMP CC(C)[NH+]1CC2(c3ccccc3)C[NH+](C(C)C)CC(c3ccccc3)(C1)C2O ZINC000020130491 570241486 /nfs/dbraw/zinc/24/14/86/570241486.db2.gz AXATZOZRCPBFKV-UHFFFAOYSA-N 2 1 378.560 3.671 50 0 GHAAMP CCc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)C2)on1 ZINC000095515352 571083364 /nfs/dbraw/zinc/08/33/64/571083364.db2.gz UFYQRJHRRZNJDG-QGZVFWFLSA-N 2 1 393.491 3.582 50 0 GHAAMP CCc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)C2)on1 ZINC000095515352 571083366 /nfs/dbraw/zinc/08/33/66/571083366.db2.gz UFYQRJHRRZNJDG-QGZVFWFLSA-N 2 1 393.491 3.582 50 0 GHAAMP