smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@@H+](CC)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001500789987 1069314585 /nfs/dbraw/zinc/31/45/85/1069314585.db2.gz MZGGBYBYFHAZBQ-LJQANCHMSA-N 1 3 485.699 1.263 20 0 JDADHO CCC[N@H+](CC)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001500789987 1069314569 /nfs/dbraw/zinc/31/45/69/1069314569.db2.gz MZGGBYBYFHAZBQ-LJQANCHMSA-N 1 3 485.699 1.263 20 0 JDADHO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCN(CC)CC2)CC1 ZINC001500972404 1069342789 /nfs/dbraw/zinc/34/27/89/1069342789.db2.gz FSHLURCKEWMBOW-NRFANRHFSA-N 1 3 460.671 1.567 20 0 JDADHO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001501794399 1069722311 /nfs/dbraw/zinc/72/23/11/1069722311.db2.gz TWYKONGCTOYGOW-LJQANCHMSA-N 1 3 470.622 1.957 20 0 JDADHO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001501799811 1069727151 /nfs/dbraw/zinc/72/71/51/1069727151.db2.gz YRDBSBQUJLDCCH-QUCCMNQESA-N 1 3 457.627 1.152 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCCCC2)CC1 ZINC001501903824 1069774366 /nfs/dbraw/zinc/77/43/66/1069774366.db2.gz KNNMCIZQAGWYKV-UHFFFAOYSA-N 1 3 469.638 1.602 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001501903698 1069772978 /nfs/dbraw/zinc/77/29/78/1069772978.db2.gz GAWMLBFGINPSCT-FQEVSTJZSA-N 1 3 488.681 1.342 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001501903850 1069774777 /nfs/dbraw/zinc/77/47/77/1069774777.db2.gz LKMONAIQJXPWRZ-LEWJYISDSA-N 1 3 485.681 1.789 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001501903850 1069774792 /nfs/dbraw/zinc/77/47/92/1069774792.db2.gz LKMONAIQJXPWRZ-LEWJYISDSA-N 1 3 485.681 1.789 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001501903674 1069773868 /nfs/dbraw/zinc/77/38/68/1069773868.db2.gz FKJRBLCPLFVVPQ-NRFANRHFSA-N 1 3 483.665 1.846 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001501903674 1069773892 /nfs/dbraw/zinc/77/38/92/1069773892.db2.gz FKJRBLCPLFVVPQ-NRFANRHFSA-N 1 3 483.665 1.846 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001501904018 1069778051 /nfs/dbraw/zinc/77/80/51/1069778051.db2.gz RIZPFZUTHWPKIQ-LJQANCHMSA-N 1 3 455.611 1.067 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001501904018 1069778084 /nfs/dbraw/zinc/77/80/84/1069778084.db2.gz RIZPFZUTHWPKIQ-LJQANCHMSA-N 1 3 455.611 1.067 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001501903981 1069778188 /nfs/dbraw/zinc/77/81/88/1069778188.db2.gz PSGNRAPPAWTCIH-HXUWFJFHSA-N 1 3 454.623 1.815 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001501903981 1069778208 /nfs/dbraw/zinc/77/82/08/1069778208.db2.gz PSGNRAPPAWTCIH-HXUWFJFHSA-N 1 3 454.623 1.815 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001501904017 1069779034 /nfs/dbraw/zinc/77/90/34/1069779034.db2.gz RIZPFZUTHWPKIQ-IBGZPJMESA-N 1 3 455.611 1.067 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001501904017 1069779059 /nfs/dbraw/zinc/77/90/59/1069779059.db2.gz RIZPFZUTHWPKIQ-IBGZPJMESA-N 1 3 455.611 1.067 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001501904145 1069780287 /nfs/dbraw/zinc/78/02/87/1069780287.db2.gz WOVRVYXKJVMKKW-UHFFFAOYSA-N 1 3 455.611 1.210 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001501904214 1069781336 /nfs/dbraw/zinc/78/13/36/1069781336.db2.gz YSRJSTKZXOKOJV-UHFFFAOYSA-N 1 3 454.623 1.815 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001501904223 1069782030 /nfs/dbraw/zinc/78/20/30/1069782030.db2.gz ZAXZVXGIFMHIQK-JOCHJYFZSA-N 1 3 498.676 1.831 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001501904223 1069782061 /nfs/dbraw/zinc/78/20/61/1069782061.db2.gz ZAXZVXGIFMHIQK-JOCHJYFZSA-N 1 3 498.676 1.831 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001501906550 1069786867 /nfs/dbraw/zinc/78/68/67/1069786867.db2.gz IALNGEVLAXDFRI-HXUWFJFHSA-N 1 3 493.722 1.600 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001501907535 1069795236 /nfs/dbraw/zinc/79/52/36/1069795236.db2.gz WUBLXMNQZWFDPH-JOCHJYFZSA-N 1 3 491.681 1.357 20 0 JDADHO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001501951715 1069806006 /nfs/dbraw/zinc/80/60/06/1069806006.db2.gz FNQGWIZZISUDJI-BAGYTPMASA-N 1 3 488.681 1.340 20 0 JDADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CC1 ZINC001477317496 1069812290 /nfs/dbraw/zinc/81/22/90/1069812290.db2.gz UROSRANYFUDUKT-HSZRJFAPSA-N 1 3 458.651 1.607 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](CC)C(C)C)C[C@@H]1C ZINC001502199231 1069854321 /nfs/dbraw/zinc/85/43/21/1069854321.db2.gz GYDZCYJWUYOSCK-UFYCRDLUSA-N 1 3 485.699 1.260 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](CC)C(C)C)C[C@@H]1C ZINC001502199231 1069854323 /nfs/dbraw/zinc/85/43/23/1069854323.db2.gz GYDZCYJWUYOSCK-UFYCRDLUSA-N 1 3 485.699 1.260 20 0 JDADHO CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)C(C)C ZINC001502203340 1069857064 /nfs/dbraw/zinc/85/70/64/1069857064.db2.gz IENNHONEOKQPMP-QFIPXVFZSA-N 1 3 474.698 1.736 20 0 JDADHO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)C(C)C ZINC001502203340 1069857065 /nfs/dbraw/zinc/85/70/65/1069857065.db2.gz IENNHONEOKQPMP-QFIPXVFZSA-N 1 3 474.698 1.736 20 0 JDADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CCN(CC4CCOCC4)CC3)c2)C1 ZINC001477841251 1069866655 /nfs/dbraw/zinc/86/66/55/1069866655.db2.gz DGHPKKWQZXXELR-QHCPKHFHSA-N 1 3 457.619 1.638 20 0 JDADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N3CCN(CC4CCOCC4)CC3)c2)C1 ZINC001477841251 1069866656 /nfs/dbraw/zinc/86/66/56/1069866656.db2.gz DGHPKKWQZXXELR-QHCPKHFHSA-N 1 3 457.619 1.638 20 0 JDADHO O=C(CN1CCCC1)N1CCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC001478323615 1069963938 /nfs/dbraw/zinc/96/39/38/1069963938.db2.gz SWWGVKOTSIKMFI-UHFFFAOYSA-N 1 3 457.619 1.653 20 0 JDADHO CC[NH+]1CCC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC001502266158 1069978852 /nfs/dbraw/zinc/97/88/52/1069978852.db2.gz HVYJKEUFXRSHED-PZJWPPBQSA-N 1 3 497.710 1.169 20 0 JDADHO CC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](N3CCN(C(C)C)CC3)C2)C1 ZINC001502270687 1069990115 /nfs/dbraw/zinc/99/01/15/1069990115.db2.gz REWRXLFKKIVMLU-SFTDATJTSA-N 1 3 460.671 1.363 20 0 JDADHO CC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](N3CCN(C(C)C)CC3)C2)C1 ZINC001502270687 1069990140 /nfs/dbraw/zinc/99/01/40/1069990140.db2.gz REWRXLFKKIVMLU-SFTDATJTSA-N 1 3 460.671 1.363 20 0 JDADHO CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001502292175 1070033603 /nfs/dbraw/zinc/03/36/03/1070033603.db2.gz NJJQNXMLMCQWQB-TZIWHRDSSA-N 1 3 461.655 1.980 20 0 JDADHO CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001502292175 1070033625 /nfs/dbraw/zinc/03/36/25/1070033625.db2.gz NJJQNXMLMCQWQB-TZIWHRDSSA-N 1 3 461.655 1.980 20 0 JDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC001478956810 1070071963 /nfs/dbraw/zinc/07/19/63/1070071963.db2.gz ICZMDEJISKXZST-SFHVURJKSA-N 1 3 453.031 1.878 20 0 JDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC001478956810 1070071988 /nfs/dbraw/zinc/07/19/88/1070071988.db2.gz ICZMDEJISKXZST-SFHVURJKSA-N 1 3 453.031 1.878 20 0 JDADHO CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC001502310279 1070071916 /nfs/dbraw/zinc/07/19/16/1070071916.db2.gz WJVWEJMPTNNCQY-LEWJYISDSA-N 1 3 460.671 1.507 20 0 JDADHO CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1C ZINC001502329617 1070162400 /nfs/dbraw/zinc/16/24/00/1070162400.db2.gz FKUYJLIAGQDOFS-NRFANRHFSA-N 1 3 457.671 1.696 20 0 JDADHO CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C ZINC001502329617 1070162410 /nfs/dbraw/zinc/16/24/10/1070162410.db2.gz FKUYJLIAGQDOFS-NRFANRHFSA-N 1 3 457.671 1.696 20 0 JDADHO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(Cc3c(C)nn(C)c3C)CC2)CC1 ZINC001502337461 1070205052 /nfs/dbraw/zinc/20/50/52/1070205052.db2.gz IGFSQALGFYGDGI-IBGZPJMESA-N 1 3 457.671 1.533 20 0 JDADHO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCN(CCOC)[C@@H](C)C2)CC1 ZINC001502345840 1070252924 /nfs/dbraw/zinc/25/29/24/1070252924.db2.gz GGFCJLBRNKGVHW-BHIFYINESA-N 1 3 463.671 1.560 20 0 JDADHO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001493690858 1070335774 /nfs/dbraw/zinc/33/57/74/1070335774.db2.gz LDZROQMHQKIGDC-AQNXPRMDSA-N 1 3 497.710 1.310 20 0 JDADHO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493690858 1070335800 /nfs/dbraw/zinc/33/58/00/1070335800.db2.gz LDZROQMHQKIGDC-AQNXPRMDSA-N 1 3 497.710 1.310 20 0 JDADHO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001493796727 1070349381 /nfs/dbraw/zinc/34/93/81/1070349381.db2.gz MGSDMKUZQHNOSN-UFYCRDLUSA-N 1 3 497.710 1.310 20 0 JDADHO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001493796727 1070349394 /nfs/dbraw/zinc/34/93/94/1070349394.db2.gz MGSDMKUZQHNOSN-UFYCRDLUSA-N 1 3 497.710 1.310 20 0 JDADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001493796722 1070350189 /nfs/dbraw/zinc/35/01/89/1070350189.db2.gz MGSDMKUZQHNOSN-SLFFLAALSA-N 1 3 497.710 1.310 20 0 JDADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001493796722 1070350198 /nfs/dbraw/zinc/35/01/98/1070350198.db2.gz MGSDMKUZQHNOSN-SLFFLAALSA-N 1 3 497.710 1.310 20 0 JDADHO C[C@@H]1CCC[N@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001493804769 1070351167 /nfs/dbraw/zinc/35/11/67/1070351167.db2.gz IDFXYYNIKKAMBG-WOJBJXKFSA-N 1 3 497.710 1.263 20 0 JDADHO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001493804769 1070351185 /nfs/dbraw/zinc/35/11/85/1070351185.db2.gz IDFXYYNIKKAMBG-WOJBJXKFSA-N 1 3 497.710 1.263 20 0 JDADHO CC(C)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001494055952 1070382295 /nfs/dbraw/zinc/38/22/95/1070382295.db2.gz TWNDTZQHIXYDKE-OAQYLSRUSA-N 1 3 461.655 1.697 20 0 JDADHO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001495675638 1070813259 /nfs/dbraw/zinc/81/32/59/1070813259.db2.gz CDHMSCDWYJSLQO-RTWAWAEBSA-N 1 3 475.682 1.770 20 0 JDADHO CCO[C@@]1(c2nnc(N3CCN(C4CCOCC4)CC3)n2C[C@H](C)[NH+](CC)CC)CCOC1 ZINC001502720774 1070828564 /nfs/dbraw/zinc/82/85/64/1070828564.db2.gz AQFSOWOGIICLGM-RDPSFJRHSA-N 1 3 464.655 1.962 20 0 JDADHO CCO[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCOC1 ZINC001502715604 1070823856 /nfs/dbraw/zinc/82/38/56/1070823856.db2.gz WRQZQTQXRIZPLD-RDPSFJRHSA-N 1 3 464.655 1.698 20 0 JDADHO CCO[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H]2CCC[N@H+]2CCCO)CCOC1 ZINC001502715604 1070823858 /nfs/dbraw/zinc/82/38/58/1070823858.db2.gz WRQZQTQXRIZPLD-RDPSFJRHSA-N 1 3 464.655 1.698 20 0 JDADHO CC[C@@H](C)[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001496188241 1070833405 /nfs/dbraw/zinc/83/34/05/1070833405.db2.gz LOCYDTFXYDPKNZ-OAQYLSRUSA-N 1 3 485.681 1.614 20 0 JDADHO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001496188241 1070833406 /nfs/dbraw/zinc/83/34/06/1070833406.db2.gz LOCYDTFXYDPKNZ-OAQYLSRUSA-N 1 3 485.681 1.614 20 0 JDADHO CCOCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001503029494 1070980425 /nfs/dbraw/zinc/98/04/25/1070980425.db2.gz AEGJRGSXLUFLHZ-VWPQPMDRSA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001503029494 1070980455 /nfs/dbraw/zinc/98/04/55/1070980455.db2.gz AEGJRGSXLUFLHZ-VWPQPMDRSA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503109620 1071064007 /nfs/dbraw/zinc/06/40/07/1071064007.db2.gz MSYBVEAGCYHMGX-LEWJYISDSA-N 1 3 463.671 1.530 20 0 JDADHO CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503109620 1071064020 /nfs/dbraw/zinc/06/40/20/1071064020.db2.gz MSYBVEAGCYHMGX-LEWJYISDSA-N 1 3 463.671 1.530 20 0 JDADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N2CCN(C3CCOCC3)CC2)nnc1C(C)(C)C ZINC001503356860 1071556469 /nfs/dbraw/zinc/55/64/69/1071556469.db2.gz BDWHFXFQSNARTQ-NRFANRHFSA-N 1 3 475.682 1.819 20 0 JDADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(N2CCN(C3CCOCC3)CC2)nnc1C(C)(C)C ZINC001503356860 1071556483 /nfs/dbraw/zinc/55/64/83/1071556483.db2.gz BDWHFXFQSNARTQ-NRFANRHFSA-N 1 3 475.682 1.819 20 0 JDADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001503357962 1071562317 /nfs/dbraw/zinc/56/23/17/1071562317.db2.gz CEGAMOLHAIRYSG-RBUKOAKNSA-N 1 3 474.654 1.092 20 0 JDADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001503357962 1071562331 /nfs/dbraw/zinc/56/23/31/1071562331.db2.gz CEGAMOLHAIRYSG-RBUKOAKNSA-N 1 3 474.654 1.092 20 0 JDADHO C[NH+](C)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(C(C)(C)C)CC2)CCOCC1 ZINC001503385202 1071642776 /nfs/dbraw/zinc/64/27/76/1071642776.db2.gz COWLBHGFJZAUBR-UHFFFAOYSA-N 1 3 470.622 1.957 20 0 JDADHO Cn1cc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2CC(C)(C)C[NH+](C)C)cn1 ZINC001503396938 1071656149 /nfs/dbraw/zinc/65/61/49/1071656149.db2.gz SNTUEXSUOURLNF-UHFFFAOYSA-N 1 3 457.627 1.011 20 0 JDADHO C[NH+](C)CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001503403366 1071669246 /nfs/dbraw/zinc/66/92/46/1071669246.db2.gz XYJNHRGWVISXSF-UHFFFAOYSA-N 1 3 478.663 1.847 20 0 JDADHO C[NH+](C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001503405639 1071675054 /nfs/dbraw/zinc/67/50/54/1071675054.db2.gz YUVPUQXQHNZDJU-NRFANRHFSA-N 1 3 450.628 1.647 20 0 JDADHO COCCC[N@H+](C)CCn1c(C(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504811805 1071683510 /nfs/dbraw/zinc/68/35/10/1071683510.db2.gz QOUNPDGLPKHBSO-RBBKRZOGSA-N 1 3 463.671 1.749 20 0 JDADHO COCCC[N@@H+](C)CCn1c(C(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504811805 1071683511 /nfs/dbraw/zinc/68/35/11/1071683511.db2.gz QOUNPDGLPKHBSO-RBBKRZOGSA-N 1 3 463.671 1.749 20 0 JDADHO COCC[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504850518 1071748089 /nfs/dbraw/zinc/74/80/89/1071748089.db2.gz GNDYXNLNHBNLIK-NFBKMPQASA-N 1 3 499.664 1.082 20 0 JDADHO COCC[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504850518 1071748104 /nfs/dbraw/zinc/74/81/04/1071748104.db2.gz GNDYXNLNHBNLIK-NFBKMPQASA-N 1 3 499.664 1.082 20 0 JDADHO COCC[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001504856731 1071772415 /nfs/dbraw/zinc/77/24/15/1071772415.db2.gz APZDVMJMOALWCM-UHFFFAOYSA-N 1 3 460.598 1.887 20 0 JDADHO COCC[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001504856731 1071772429 /nfs/dbraw/zinc/77/24/29/1071772429.db2.gz APZDVMJMOALWCM-UHFFFAOYSA-N 1 3 460.598 1.887 20 0 JDADHO COCCN(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001504857546 1071778008 /nfs/dbraw/zinc/77/80/08/1071778008.db2.gz MRVNTVWWKNUKLR-JOCHJYFZSA-N 1 3 477.698 1.745 20 0 JDADHO COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001504917726 1071883635 /nfs/dbraw/zinc/88/36/35/1071883635.db2.gz WLKIAQKLIKNSGW-CTNGQTDRSA-N 1 3 458.611 1.249 20 0 JDADHO COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001504917726 1071883638 /nfs/dbraw/zinc/88/36/38/1071883638.db2.gz WLKIAQKLIKNSGW-CTNGQTDRSA-N 1 3 458.611 1.249 20 0 JDADHO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001503618956 1071907482 /nfs/dbraw/zinc/90/74/82/1071907482.db2.gz OQZDMMZHJQELHI-UHFFFAOYSA-N 1 3 458.655 1.846 20 0 JDADHO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001503618956 1071907497 /nfs/dbraw/zinc/90/74/97/1071907497.db2.gz OQZDMMZHJQELHI-UHFFFAOYSA-N 1 3 458.655 1.846 20 0 JDADHO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001466042960 1067853235 /nfs/dbraw/zinc/85/32/35/1067853235.db2.gz YVEWGAYGZYRVDQ-IBGZPJMESA-N 1 3 452.625 1.540 20 0 JDADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)cc21 ZINC001466130949 1067862924 /nfs/dbraw/zinc/86/29/24/1067862924.db2.gz CMWRPLYCFZWSOZ-LEWJYISDSA-N 1 3 451.571 1.916 20 0 JDADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)cc21 ZINC001466130949 1067862925 /nfs/dbraw/zinc/86/29/25/1067862925.db2.gz CMWRPLYCFZWSOZ-LEWJYISDSA-N 1 3 451.571 1.916 20 0 JDADHO COc1ccc(CNS(C)(=O)=O)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001466589732 1067894124 /nfs/dbraw/zinc/89/41/24/1067894124.db2.gz BQACTUBVPXZZNK-UHFFFAOYSA-N 1 3 453.609 1.425 20 0 JDADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC001470772711 1068808595 /nfs/dbraw/zinc/80/85/95/1068808595.db2.gz LVFXQNLSPZCWLZ-RBUKOAKNSA-N 1 3 450.603 1.752 20 0 JDADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC001470772711 1068808597 /nfs/dbraw/zinc/80/85/97/1068808597.db2.gz LVFXQNLSPZCWLZ-RBUKOAKNSA-N 1 3 450.603 1.752 20 0 JDADHO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001500725611 1069305964 /nfs/dbraw/zinc/30/59/64/1069305964.db2.gz QCQHJASMAIJOKL-NRFANRHFSA-N 1 3 474.698 1.595 20 0 JDADHO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001500725611 1069305978 /nfs/dbraw/zinc/30/59/78/1069305978.db2.gz QCQHJASMAIJOKL-NRFANRHFSA-N 1 3 474.698 1.595 20 0 JDADHO CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCOCC3)CC2)CC[NH+](C)CC1 ZINC001505181965 1072403499 /nfs/dbraw/zinc/40/34/99/1072403499.db2.gz ISVHLRWIBKDWPF-UHFFFAOYSA-N 1 3 479.695 1.545 20 0 JDADHO C[C@@H]1CN(CCN(C)c2nnc([C@H]3CCOC3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H](C)O1 ZINC001505289185 1072472442 /nfs/dbraw/zinc/47/24/42/1072472442.db2.gz DPVTXFKXWKTFDX-XJUOHMSHSA-N 1 3 477.698 1.601 20 0 JDADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccnc4)n3CCOCC[NH+](C)C)C[C@H]2C)CC1 ZINC001508231267 1072995773 /nfs/dbraw/zinc/99/57/73/1072995773.db2.gz GIISFXBHJGGEFQ-OFNKIYASSA-N 1 3 484.649 1.297 20 0 JDADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccnc4)n3CCOCC[NH+](C)C)C[C@@H]2C)CC1 ZINC001508231263 1072995995 /nfs/dbraw/zinc/99/59/95/1072995995.db2.gz GIISFXBHJGGEFQ-NZQKXSOJSA-N 1 3 484.649 1.297 20 0 JDADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3Cc3ccc(OCC[NH+](C)C)cc3)C[C@H]2C)CC1 ZINC001508233677 1073001968 /nfs/dbraw/zinc/00/19/68/1073001968.db2.gz RCMDSPZMLKVIJX-NLFFAJNJSA-N 1 3 483.661 1.954 20 0 JDADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)C[NH+](C)C)C[C@@H]2C)CC1 ZINC001508234411 1073004073 /nfs/dbraw/zinc/00/40/73/1073004073.db2.gz VCJMGRRLPZUGEA-SIKLNZKXSA-N 1 3 483.665 1.702 20 0 JDADHO CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](C)C ZINC001509116559 1073506113 /nfs/dbraw/zinc/50/61/13/1073506113.db2.gz CRONZMXKRZOGOE-PCCBWWKXSA-N 1 3 461.655 1.849 20 0 JDADHO CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001509404111 1073580571 /nfs/dbraw/zinc/58/05/71/1073580571.db2.gz JYDUMWJXNPJACA-UXHICEINSA-N 1 3 469.700 1.788 20 0 JDADHO CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC001509421798 1073596102 /nfs/dbraw/zinc/59/61/02/1073596102.db2.gz SWCSBELGOHLXHQ-JOCHJYFZSA-N 1 3 469.634 1.996 20 0 JDADHO CC(C)[N@H+](C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 ZINC001509518579 1073662074 /nfs/dbraw/zinc/66/20/74/1073662074.db2.gz OBKLGPCJYVTZKB-NRFANRHFSA-N 1 3 497.710 1.406 20 0 JDADHO CC(C)[N@@H+](C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 ZINC001509518579 1073662084 /nfs/dbraw/zinc/66/20/84/1073662084.db2.gz OBKLGPCJYVTZKB-NRFANRHFSA-N 1 3 497.710 1.406 20 0 JDADHO CC(C)[N@@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001509563653 1073685505 /nfs/dbraw/zinc/68/55/05/1073685505.db2.gz QCRDIBHDXVJLHR-UHFFFAOYSA-N 1 3 460.671 1.347 20 0 JDADHO CC(C)[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001509563653 1073685522 /nfs/dbraw/zinc/68/55/22/1073685522.db2.gz QCRDIBHDXVJLHR-UHFFFAOYSA-N 1 3 460.671 1.347 20 0 JDADHO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(N4CCCC4)nc(N4CCCC4)n2)CC3)CC1 ZINC001164796793 721518564 /nfs/dbraw/zinc/51/85/64/721518564.db2.gz CPDQPOGMQOUTRN-UHFFFAOYSA-N 1 3 452.611 1.036 20 0 JDADHO CCC[N@H+](CC)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001500783880 1069310691 /nfs/dbraw/zinc/31/06/91/1069310691.db2.gz DIAPGNBFTJHIPT-OAQYLSRUSA-N 1 3 454.623 1.815 20 0 JDADHO CCC[N@@H+](CC)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001500783880 1069310705 /nfs/dbraw/zinc/31/07/05/1069310705.db2.gz DIAPGNBFTJHIPT-OAQYLSRUSA-N 1 3 454.623 1.815 20 0 JDADHO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001500921808 1069330330 /nfs/dbraw/zinc/33/03/30/1069330330.db2.gz LOERKPHFPSPMBK-RTBURBONSA-N 1 3 455.673 1.398 20 0 JDADHO CCC[N@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001500921808 1069330340 /nfs/dbraw/zinc/33/03/40/1069330340.db2.gz LOERKPHFPSPMBK-RTBURBONSA-N 1 3 455.673 1.398 20 0 JDADHO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001500921806 1069330493 /nfs/dbraw/zinc/33/04/93/1069330493.db2.gz LOERKPHFPSPMBK-OALUTQOASA-N 1 3 455.673 1.398 20 0 JDADHO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001500921806 1069330510 /nfs/dbraw/zinc/33/05/10/1069330510.db2.gz LOERKPHFPSPMBK-OALUTQOASA-N 1 3 455.673 1.398 20 0 JDADHO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001501799810 1069727411 /nfs/dbraw/zinc/72/74/11/1069727411.db2.gz YRDBSBQUJLDCCH-ICSRJNTNSA-N 1 3 457.627 1.152 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001501899668 1069761051 /nfs/dbraw/zinc/76/10/51/1069761051.db2.gz PTNDEBNGYAPEST-UHFFFAOYSA-N 1 3 476.670 1.139 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001501903549 1069769835 /nfs/dbraw/zinc/76/98/35/1069769835.db2.gz AEOABQZGWVMYMZ-HXUWFJFHSA-N 1 3 469.638 1.457 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001501903852 1069776408 /nfs/dbraw/zinc/77/64/08/1069776408.db2.gz LKMONAIQJXPWRZ-RTWAWAEBSA-N 1 3 485.681 1.789 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001501903852 1069776439 /nfs/dbraw/zinc/77/64/39/1069776439.db2.gz LKMONAIQJXPWRZ-RTWAWAEBSA-N 1 3 485.681 1.789 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001501904132 1069780361 /nfs/dbraw/zinc/78/03/61/1069780361.db2.gz WAJLCKPSHHKXMD-FQEVSTJZSA-N 1 3 456.639 1.758 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001501904132 1069780384 /nfs/dbraw/zinc/78/03/84/1069780384.db2.gz WAJLCKPSHHKXMD-FQEVSTJZSA-N 1 3 456.639 1.758 20 0 JDADHO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001501949749 1069805904 /nfs/dbraw/zinc/80/59/04/1069805904.db2.gz SHPKJWKWARYVGT-NRFANRHFSA-N 1 3 454.623 1.815 20 0 JDADHO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001501951717 1069805944 /nfs/dbraw/zinc/80/59/44/1069805944.db2.gz FNQGWIZZISUDJI-HJNYFJLDSA-N 1 3 488.681 1.340 20 0 JDADHO COc1ccc(-c2nnc(CNC(=O)NCCCN3CCN(c4cc[nH+]cc4)CC3)[nH]2)cc1 ZINC001477661746 1069842235 /nfs/dbraw/zinc/84/22/35/1069842235.db2.gz YKQWGUUJJSSUAL-UHFFFAOYSA-N 1 3 450.547 1.887 20 0 JDADHO CCN1C[C@@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](CC)C(C)C)C[C@H]1C ZINC001502199230 1069854148 /nfs/dbraw/zinc/85/41/48/1069854148.db2.gz GYDZCYJWUYOSCK-AQNXPRMDSA-N 1 3 485.699 1.260 20 0 JDADHO CCN1C[C@@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](CC)C(C)C)C[C@H]1C ZINC001502199230 1069854150 /nfs/dbraw/zinc/85/41/50/1069854150.db2.gz GYDZCYJWUYOSCK-AQNXPRMDSA-N 1 3 485.699 1.260 20 0 JDADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC001478123669 1069898979 /nfs/dbraw/zinc/89/89/79/1069898979.db2.gz JIXNNEBPTFYFHZ-UHFFFAOYSA-N 1 3 457.619 1.659 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001502245427 1069921275 /nfs/dbraw/zinc/92/12/75/1069921275.db2.gz SNUWEQLPWACOCM-AABGKKOBSA-N 1 3 469.700 1.929 20 0 JDADHO CC[NH+]1CCC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC001502266157 1069978730 /nfs/dbraw/zinc/97/87/30/1069978730.db2.gz HVYJKEUFXRSHED-FPOVZHCZSA-N 1 3 497.710 1.169 20 0 JDADHO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](N3CCN(C(C)C)CC3)C2)C1 ZINC001502270685 1069989215 /nfs/dbraw/zinc/98/92/15/1069989215.db2.gz REWRXLFKKIVMLU-NHCUHLMSSA-N 1 3 460.671 1.363 20 0 JDADHO CC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](N3CCN(C(C)C)CC3)C2)C1 ZINC001502270685 1069989242 /nfs/dbraw/zinc/98/92/42/1069989242.db2.gz REWRXLFKKIVMLU-NHCUHLMSSA-N 1 3 460.671 1.363 20 0 JDADHO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001502282054 1070015899 /nfs/dbraw/zinc/01/58/99/1070015899.db2.gz RDLOMBBIYCTKCU-KSEOMHKRSA-N 1 3 488.681 1.280 20 0 JDADHO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001502282054 1070015911 /nfs/dbraw/zinc/01/59/11/1070015911.db2.gz RDLOMBBIYCTKCU-KSEOMHKRSA-N 1 3 488.681 1.280 20 0 JDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC001478956515 1070071723 /nfs/dbraw/zinc/07/17/23/1070071723.db2.gz BXBZCEDFAAFKEW-SFHVURJKSA-N 1 3 454.641 1.162 20 0 JDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC001478956515 1070071744 /nfs/dbraw/zinc/07/17/44/1070071744.db2.gz BXBZCEDFAAFKEW-SFHVURJKSA-N 1 3 454.641 1.162 20 0 JDADHO CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC001502310282 1070072328 /nfs/dbraw/zinc/07/23/28/1070072328.db2.gz WJVWEJMPTNNCQY-SFTDATJTSA-N 1 3 460.671 1.507 20 0 JDADHO CCN1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001502312547 1070084710 /nfs/dbraw/zinc/08/47/10/1070084710.db2.gz OELSZOYHJRQXNY-RTWAWAEBSA-N 1 3 474.698 1.813 20 0 JDADHO CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC001502312909 1070085585 /nfs/dbraw/zinc/08/55/85/1070085585.db2.gz UYBHKLVPIZJXSY-RTWAWAEBSA-N 1 3 455.655 1.929 20 0 JDADHO C[C@@H](O)CN1CCN(C(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC001479248392 1070112170 /nfs/dbraw/zinc/11/21/70/1070112170.db2.gz WQHHGEBSBCIKGT-WOJBJXKFSA-N 1 3 455.644 1.806 20 0 JDADHO CCN1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCC(C)CC3)C2)CC1 ZINC001502332239 1070170413 /nfs/dbraw/zinc/17/04/13/1070170413.db2.gz GQWOKQJUAWOCSY-NRFANRHFSA-N 1 3 460.671 1.364 20 0 JDADHO CCN1CC[NH+](CCCn2c(-c3cccn3C)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502355890 1070287902 /nfs/dbraw/zinc/28/79/02/1070287902.db2.gz BOYSVMHVAFPUJX-SZPZYZBQSA-N 1 3 472.682 1.857 20 0 JDADHO CC[NH+]1CCN(CCCn2c(-c3cccn3C)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502355890 1070287933 /nfs/dbraw/zinc/28/79/33/1070287933.db2.gz BOYSVMHVAFPUJX-SZPZYZBQSA-N 1 3 472.682 1.857 20 0 JDADHO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001495675637 1070813452 /nfs/dbraw/zinc/81/34/52/1070813452.db2.gz CDHMSCDWYJSLQO-NHCUHLMSSA-N 1 3 475.682 1.770 20 0 JDADHO CCO[C@@]1(c2nnc(N3CCN(C4CCOCC4)CC3)n2C[C@@H](C)[NH+](CC)CC)CCOC1 ZINC001502720775 1070828417 /nfs/dbraw/zinc/82/84/17/1070828417.db2.gz AQFSOWOGIICLGM-YKSBVNFPSA-N 1 3 464.655 1.962 20 0 JDADHO CCO[C@]1(c2nnc(N3CCN(C4CCOCC4)CC3)n2CC[N@H+](CC)C(C)C)CCOC1 ZINC001502721257 1070828895 /nfs/dbraw/zinc/82/88/95/1070828895.db2.gz DYOVWNNQYUMIHY-XMMPIXPASA-N 1 3 464.655 1.962 20 0 JDADHO CCO[C@]1(c2nnc(N3CCN(C4CCOCC4)CC3)n2CC[N@@H+](CC)C(C)C)CCOC1 ZINC001502721257 1070828896 /nfs/dbraw/zinc/82/88/96/1070828896.db2.gz DYOVWNNQYUMIHY-XMMPIXPASA-N 1 3 464.655 1.962 20 0 JDADHO COc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC001504198075 1070875638 /nfs/dbraw/zinc/87/56/38/1070875638.db2.gz LNFMAFLGBHRUTQ-XMMPIXPASA-N 1 3 458.607 1.949 20 0 JDADHO COc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001504198075 1070875642 /nfs/dbraw/zinc/87/56/42/1070875642.db2.gz LNFMAFLGBHRUTQ-XMMPIXPASA-N 1 3 458.607 1.949 20 0 JDADHO CCOCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC1([NH+](C)C)CCC1 ZINC001503033321 1070988467 /nfs/dbraw/zinc/98/84/67/1070988467.db2.gz MBCUIZIAAGAIJS-TZIWHRDSSA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001503098148 1071042336 /nfs/dbraw/zinc/04/23/36/1071042336.db2.gz JYYYHDUZGOYYHD-NJYVYQBISA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001503098148 1071042347 /nfs/dbraw/zinc/04/23/47/1071042347.db2.gz JYYYHDUZGOYYHD-NJYVYQBISA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001503099384 1071045917 /nfs/dbraw/zinc/04/59/17/1071045917.db2.gz PSNOQZBRKAMVQP-FGZHOGPDSA-N 1 3 463.671 1.389 20 0 JDADHO CCOCc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001503115225 1071076425 /nfs/dbraw/zinc/07/64/25/1071076425.db2.gz LFODJFYINPCJFO-OAQYLSRUSA-N 1 3 464.655 1.864 20 0 JDADHO CCOCc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001503115225 1071076434 /nfs/dbraw/zinc/07/64/34/1071076434.db2.gz LFODJFYINPCJFO-OAQYLSRUSA-N 1 3 464.655 1.864 20 0 JDADHO CCOCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001503115463 1071077559 /nfs/dbraw/zinc/07/75/59/1071077559.db2.gz QUVRIJQDDRYISW-HXUWFJFHSA-N 1 3 464.655 1.863 20 0 JDADHO COc1ccccc1-c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001504385282 1071118453 /nfs/dbraw/zinc/11/84/53/1071118453.db2.gz LKPSTNZYYFOBHD-LJQANCHMSA-N 1 3 455.607 1.648 20 0 JDADHO CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001503399179 1071659365 /nfs/dbraw/zinc/65/93/65/1071659365.db2.gz RQTXPNDLZRZWJU-OAQYLSRUSA-N 1 3 468.650 1.595 20 0 JDADHO COCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001504812150 1071683543 /nfs/dbraw/zinc/68/35/43/1071683543.db2.gz ZCBVOMDWVXTMIG-HXUWFJFHSA-N 1 3 477.654 1.172 20 0 JDADHO COCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001504812150 1071683546 /nfs/dbraw/zinc/68/35/46/1071683546.db2.gz ZCBVOMDWVXTMIG-HXUWFJFHSA-N 1 3 477.654 1.172 20 0 JDADHO COCCC[N@H+](C)CCn1c(C(C)C)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504811806 1071683580 /nfs/dbraw/zinc/68/35/80/1071683580.db2.gz QOUNPDGLPKHBSO-UNMCSNQZSA-N 1 3 463.671 1.749 20 0 JDADHO COCCC[N@@H+](C)CCn1c(C(C)C)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504811806 1071683584 /nfs/dbraw/zinc/68/35/84/1071683584.db2.gz QOUNPDGLPKHBSO-UNMCSNQZSA-N 1 3 463.671 1.749 20 0 JDADHO COCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504854178 1071761682 /nfs/dbraw/zinc/76/16/82/1071761682.db2.gz KDKDUKGHFWWXIF-OAQYLSRUSA-N 1 3 490.052 1.920 20 0 JDADHO COCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504854178 1071761706 /nfs/dbraw/zinc/76/17/06/1071761706.db2.gz KDKDUKGHFWWXIF-OAQYLSRUSA-N 1 3 490.052 1.920 20 0 JDADHO CCN1CCN(C(=O)CC2CCN(C(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)CC2)CC1 ZINC001465085995 1067742052 /nfs/dbraw/zinc/74/20/52/1067742052.db2.gz RBECGILNQVETPL-UHFFFAOYSA-N 1 3 455.647 1.840 20 0 JDADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)cc21 ZINC001466130954 1067863303 /nfs/dbraw/zinc/86/33/03/1067863303.db2.gz CMWRPLYCFZWSOZ-SFTDATJTSA-N 1 3 451.571 1.916 20 0 JDADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)cc21 ZINC001466130954 1067863307 /nfs/dbraw/zinc/86/33/07/1067863307.db2.gz CMWRPLYCFZWSOZ-SFTDATJTSA-N 1 3 451.571 1.916 20 0 JDADHO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001468410930 1068272046 /nfs/dbraw/zinc/27/20/46/1068272046.db2.gz LIOLNOIBPCZIPM-GOSISDBHSA-N 1 3 451.637 1.601 20 0 JDADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001468452496 1068282312 /nfs/dbraw/zinc/28/23/12/1068282312.db2.gz KYLLPPYQSGHCKN-QFIPXVFZSA-N 1 3 459.635 1.646 20 0 JDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC001470027055 1068670143 /nfs/dbraw/zinc/67/01/43/1068670143.db2.gz YOPZQYRNVKUDQL-QKKBWIMNSA-N 1 3 455.962 1.634 20 0 JDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC001470027055 1068670163 /nfs/dbraw/zinc/67/01/63/1068670163.db2.gz YOPZQYRNVKUDQL-QKKBWIMNSA-N 1 3 455.962 1.634 20 0 JDADHO Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2)cc1C ZINC001470774213 1068808544 /nfs/dbraw/zinc/80/85/44/1068808544.db2.gz XXXGPXANZBZFPR-FQEVSTJZSA-N 1 3 453.653 1.591 20 0 JDADHO Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2)cc1C ZINC001470774213 1068808546 /nfs/dbraw/zinc/80/85/46/1068808546.db2.gz XXXGPXANZBZFPR-FQEVSTJZSA-N 1 3 453.653 1.591 20 0 JDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC001470774016 1068808635 /nfs/dbraw/zinc/80/86/35/1068808635.db2.gz UBZWIXDXRBWSCC-SFHVURJKSA-N 1 3 454.015 1.845 20 0 JDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC001470774016 1068808637 /nfs/dbraw/zinc/80/86/37/1068808637.db2.gz UBZWIXDXRBWSCC-SFHVURJKSA-N 1 3 454.015 1.845 20 0 JDADHO Cc1cc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2)c(C)s1 ZINC001470774086 1068808691 /nfs/dbraw/zinc/80/86/91/1068808691.db2.gz VJOLUELYPLPTDW-INIZCTEOSA-N 1 3 459.682 1.653 20 0 JDADHO Cc1cc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2)c(C)s1 ZINC001470774086 1068808692 /nfs/dbraw/zinc/80/86/92/1068808692.db2.gz VJOLUELYPLPTDW-INIZCTEOSA-N 1 3 459.682 1.653 20 0 JDADHO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 ZINC001499462665 1069004545 /nfs/dbraw/zinc/00/45/45/1069004545.db2.gz IAILEIOZHWYJDI-WOJBJXKFSA-N 1 3 469.700 1.931 20 0 JDADHO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 ZINC001499462665 1069004557 /nfs/dbraw/zinc/00/45/57/1069004557.db2.gz IAILEIOZHWYJDI-WOJBJXKFSA-N 1 3 469.700 1.931 20 0 JDADHO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001473207506 1069094623 /nfs/dbraw/zinc/09/46/23/1069094623.db2.gz UGMIHAFRXPKIAJ-NRFANRHFSA-N 1 3 457.667 1.642 20 0 JDADHO C[C@H]1CN(C2CCOCC2)CCN1c1nnc([C@H]2CCCCO2)n1CCOCC[NH+](C)C ZINC001505288725 1072471193 /nfs/dbraw/zinc/47/11/93/1072471193.db2.gz ZYWGLMDVIMXMEF-PZJWPPBQSA-N 1 3 450.628 1.787 20 0 JDADHO C[C@@H]1CN(CCN(C)c2nnc([C@@H]3CCOC3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H](C)O1 ZINC001505289184 1072472310 /nfs/dbraw/zinc/47/23/10/1072472310.db2.gz DPVTXFKXWKTFDX-FUPPJEDESA-N 1 3 477.698 1.601 20 0 JDADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccnc4)n3CCOCC[NH+](C)C)C[C@H]2C)CC1 ZINC001508231258 1072995820 /nfs/dbraw/zinc/99/58/20/1072995820.db2.gz GIISFXBHJGGEFQ-NFBKMPQASA-N 1 3 484.649 1.297 20 0 JDADHO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509561300 1073682846 /nfs/dbraw/zinc/68/28/46/1073682846.db2.gz RAEBAGOMRVMXNG-UXHICEINSA-N 1 3 474.654 1.092 20 0 JDADHO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509561300 1073682847 /nfs/dbraw/zinc/68/28/47/1073682847.db2.gz RAEBAGOMRVMXNG-UXHICEINSA-N 1 3 474.654 1.092 20 0 JDADHO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001501799812 1069726915 /nfs/dbraw/zinc/72/69/15/1069726915.db2.gz YRDBSBQUJLDCCH-UYAOXDASSA-N 1 3 457.627 1.152 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001501901781 1069770017 /nfs/dbraw/zinc/77/00/17/1069770017.db2.gz ZPLTXFNQSYPPGZ-UHFFFAOYSA-N 1 3 463.671 1.413 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001501903547 1069770124 /nfs/dbraw/zinc/77/01/24/1069770124.db2.gz ADUOHQMKNZMFER-UHFFFAOYSA-N 1 3 483.665 1.990 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001501903547 1069770144 /nfs/dbraw/zinc/77/01/44/1069770144.db2.gz ADUOHQMKNZMFER-UHFFFAOYSA-N 1 3 483.665 1.990 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001501903634 1069771985 /nfs/dbraw/zinc/77/19/85/1069771985.db2.gz DFQQBIXGWZCDTQ-NRFANRHFSA-N 1 3 499.664 1.226 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001501903634 1069772011 /nfs/dbraw/zinc/77/20/11/1069772011.db2.gz DFQQBIXGWZCDTQ-NRFANRHFSA-N 1 3 499.664 1.226 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001501903853 1069776973 /nfs/dbraw/zinc/77/69/73/1069776973.db2.gz LKMONAIQJXPWRZ-SFTDATJTSA-N 1 3 485.681 1.789 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001501903853 1069776987 /nfs/dbraw/zinc/77/69/87/1069776987.db2.gz LKMONAIQJXPWRZ-SFTDATJTSA-N 1 3 485.681 1.789 20 0 JDADHO COc1cccc(Cn2cccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2=O)n1 ZINC001477213966 1069804753 /nfs/dbraw/zinc/80/47/53/1069804753.db2.gz SIKVSUIRFUMLCG-UHFFFAOYSA-N 1 3 454.575 1.980 20 0 JDADHO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001501941607 1069804989 /nfs/dbraw/zinc/80/49/89/1069804989.db2.gz OZKMXEAEZSHRLR-UHFFFAOYSA-N 1 3 461.655 1.795 20 0 JDADHO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001501951718 1069806020 /nfs/dbraw/zinc/80/60/20/1069806020.db2.gz FNQGWIZZISUDJI-ILWGZMRPSA-N 1 3 488.681 1.340 20 0 JDADHO CN(C)S(=O)(=O)Cc1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC001477687501 1069844789 /nfs/dbraw/zinc/84/47/89/1069844789.db2.gz XRYFPHMCARDLPH-UHFFFAOYSA-N 1 3 451.637 1.436 20 0 JDADHO CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001502245004 1069921116 /nfs/dbraw/zinc/92/11/16/1069921116.db2.gz NRWJXLXRXFLPQT-RTBURBONSA-N 1 3 470.622 1.955 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC001502258147 1069958130 /nfs/dbraw/zinc/95/81/30/1069958130.db2.gz UURMBLGEHNCWHW-DMUMMCEESA-N 1 3 483.683 1.013 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC001502258147 1069958164 /nfs/dbraw/zinc/95/81/64/1069958164.db2.gz UURMBLGEHNCWHW-DMUMMCEESA-N 1 3 483.683 1.013 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC001502258150 1069958511 /nfs/dbraw/zinc/95/85/11/1069958511.db2.gz UURMBLGEHNCWHW-XSYGEPLQSA-N 1 3 483.683 1.013 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC001502258150 1069958537 /nfs/dbraw/zinc/95/85/37/1069958537.db2.gz UURMBLGEHNCWHW-XSYGEPLQSA-N 1 3 483.683 1.013 20 0 JDADHO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001502282053 1070016158 /nfs/dbraw/zinc/01/61/58/1070016158.db2.gz RDLOMBBIYCTKCU-FCEUIQTBSA-N 1 3 488.681 1.280 20 0 JDADHO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001502282053 1070016180 /nfs/dbraw/zinc/01/61/80/1070016180.db2.gz RDLOMBBIYCTKCU-FCEUIQTBSA-N 1 3 488.681 1.280 20 0 JDADHO CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001502292174 1070033954 /nfs/dbraw/zinc/03/39/54/1070033954.db2.gz NJJQNXMLMCQWQB-CTNGQTDRSA-N 1 3 461.655 1.980 20 0 JDADHO CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001502292174 1070033973 /nfs/dbraw/zinc/03/39/73/1070033973.db2.gz NJJQNXMLMCQWQB-CTNGQTDRSA-N 1 3 461.655 1.980 20 0 JDADHO CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC001502310280 1070072170 /nfs/dbraw/zinc/07/21/70/1070072170.db2.gz WJVWEJMPTNNCQY-NHCUHLMSSA-N 1 3 460.671 1.507 20 0 JDADHO CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC001502310281 1070072695 /nfs/dbraw/zinc/07/26/95/1070072695.db2.gz WJVWEJMPTNNCQY-RTWAWAEBSA-N 1 3 460.671 1.507 20 0 JDADHO CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001502312546 1070084331 /nfs/dbraw/zinc/08/43/31/1070084331.db2.gz OELSZOYHJRQXNY-NHCUHLMSSA-N 1 3 474.698 1.813 20 0 JDADHO C[C@H](O)CN1CCN(C(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC001479248389 1070111859 /nfs/dbraw/zinc/11/18/59/1070111859.db2.gz WQHHGEBSBCIKGT-PMACEKPBSA-N 1 3 455.644 1.806 20 0 JDADHO CCN1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCC(C)CC3)C2)CC1 ZINC001502332240 1070169990 /nfs/dbraw/zinc/16/99/90/1070169990.db2.gz GQWOKQJUAWOCSY-OAQYLSRUSA-N 1 3 460.671 1.364 20 0 JDADHO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCN(CCOC)[C@@H](C)C2)CC1 ZINC001502345842 1070252609 /nfs/dbraw/zinc/25/26/09/1070252609.db2.gz GGFCJLBRNKGVHW-FDFHNCONSA-N 1 3 463.671 1.560 20 0 JDADHO CCN1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001502352639 1070275450 /nfs/dbraw/zinc/27/54/50/1070275450.db2.gz JSIUHYRLKLFLBT-UHFFFAOYSA-N 1 3 483.665 1.874 20 0 JDADHO CCN1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001502352639 1070275463 /nfs/dbraw/zinc/27/54/63/1070275463.db2.gz JSIUHYRLKLFLBT-UHFFFAOYSA-N 1 3 483.665 1.874 20 0 JDADHO CCN1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001502355533 1070287380 /nfs/dbraw/zinc/28/73/80/1070287380.db2.gz ZHHGHMUJHZKXBZ-HXUWFJFHSA-N 1 3 498.742 1.227 20 0 JDADHO CCN1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001502355533 1070287420 /nfs/dbraw/zinc/28/74/20/1070287420.db2.gz ZHHGHMUJHZKXBZ-HXUWFJFHSA-N 1 3 498.742 1.227 20 0 JDADHO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001493796716 1070348796 /nfs/dbraw/zinc/34/87/96/1070348796.db2.gz MGSDMKUZQHNOSN-AABGKKOBSA-N 1 3 497.710 1.310 20 0 JDADHO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493796716 1070348809 /nfs/dbraw/zinc/34/88/09/1070348809.db2.gz MGSDMKUZQHNOSN-AABGKKOBSA-N 1 3 497.710 1.310 20 0 JDADHO CCO[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCOC1 ZINC001502715602 1070823769 /nfs/dbraw/zinc/82/37/69/1070823769.db2.gz WRQZQTQXRIZPLD-GBXCKJPGSA-N 1 3 464.655 1.698 20 0 JDADHO CCO[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H]2CCC[N@H+]2CCCO)CCOC1 ZINC001502715602 1070823770 /nfs/dbraw/zinc/82/37/70/1070823770.db2.gz WRQZQTQXRIZPLD-GBXCKJPGSA-N 1 3 464.655 1.698 20 0 JDADHO CCO[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2CCC[N@@H+]2CCCO)CCOC1 ZINC001502715603 1070823826 /nfs/dbraw/zinc/82/38/26/1070823826.db2.gz WRQZQTQXRIZPLD-HYBUGGRVSA-N 1 3 464.655 1.698 20 0 JDADHO CCO[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2CCC[N@H+]2CCCO)CCOC1 ZINC001502715603 1070823827 /nfs/dbraw/zinc/82/38/27/1070823827.db2.gz WRQZQTQXRIZPLD-HYBUGGRVSA-N 1 3 464.655 1.698 20 0 JDADHO CCOCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001503029480 1070979820 /nfs/dbraw/zinc/97/98/20/1070979820.db2.gz AEGJRGSXLUFLHZ-JAXLGGSGSA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001503029480 1070979847 /nfs/dbraw/zinc/97/98/47/1070979847.db2.gz AEGJRGSXLUFLHZ-JAXLGGSGSA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001503099220 1071045464 /nfs/dbraw/zinc/04/54/64/1071045464.db2.gz QIDXUFQGWASAPN-RTWAWAEBSA-N 1 3 461.655 1.679 20 0 JDADHO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001503099223 1071045500 /nfs/dbraw/zinc/04/55/00/1071045500.db2.gz QIDXUFQGWASAPN-SFTDATJTSA-N 1 3 461.655 1.679 20 0 JDADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001503357964 1071561865 /nfs/dbraw/zinc/56/18/65/1071561865.db2.gz CEGAMOLHAIRYSG-RTBURBONSA-N 1 3 474.654 1.092 20 0 JDADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001503357964 1071561890 /nfs/dbraw/zinc/56/18/90/1071561890.db2.gz CEGAMOLHAIRYSG-RTBURBONSA-N 1 3 474.654 1.092 20 0 JDADHO CN1CCC[C@H]1C(=O)N1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001503398206 1071657431 /nfs/dbraw/zinc/65/74/31/1071657431.db2.gz IDVFWXHCZHAPTP-NRFANRHFSA-N 1 3 468.650 1.595 20 0 JDADHO C[NH+](C)CCOCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503402327 1071666898 /nfs/dbraw/zinc/66/68/98/1071666898.db2.gz AUEKKNVTJPDIIQ-UHFFFAOYSA-N 1 3 473.597 1.407 20 0 JDADHO COCC[N@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504852170 1071753276 /nfs/dbraw/zinc/75/32/76/1071753276.db2.gz SLMUFVOFZAFNON-JOCHJYFZSA-N 1 3 469.634 1.656 20 0 JDADHO COCC[N@@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504852170 1071753289 /nfs/dbraw/zinc/75/32/89/1071753289.db2.gz SLMUFVOFZAFNON-JOCHJYFZSA-N 1 3 469.634 1.656 20 0 JDADHO COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001504917728 1071883702 /nfs/dbraw/zinc/88/37/02/1071883702.db2.gz WLKIAQKLIKNSGW-PZJWPPBQSA-N 1 3 458.611 1.249 20 0 JDADHO COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001504917728 1071883706 /nfs/dbraw/zinc/88/37/06/1071883706.db2.gz WLKIAQKLIKNSGW-PZJWPPBQSA-N 1 3 458.611 1.249 20 0 JDADHO CN(C)CCn1c2cc(C(=O)NCc3cccc(C(=O)NCC[NH+](C)C)c3)ccc2[nH]c1=O ZINC001464787279 1067657520 /nfs/dbraw/zinc/65/75/20/1067657520.db2.gz IQQXCSRHPUJWAK-UHFFFAOYSA-N 1 3 452.559 1.525 20 0 JDADHO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001466042961 1067853578 /nfs/dbraw/zinc/85/35/78/1067853578.db2.gz YVEWGAYGZYRVDQ-LJQANCHMSA-N 1 3 452.625 1.540 20 0 JDADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)cc21 ZINC001466130951 1067862881 /nfs/dbraw/zinc/86/28/81/1067862881.db2.gz CMWRPLYCFZWSOZ-NHCUHLMSSA-N 1 3 451.571 1.916 20 0 JDADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)cc21 ZINC001466130951 1067862883 /nfs/dbraw/zinc/86/28/83/1067862883.db2.gz CMWRPLYCFZWSOZ-NHCUHLMSSA-N 1 3 451.571 1.916 20 0 JDADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@]3(C)CN(C(=O)OC(C)(C)C)CCO3)CC2)CC1 ZINC001468410895 1068271916 /nfs/dbraw/zinc/27/19/16/1068271916.db2.gz KPIZCWUYXPWKKM-QHCPKHFHSA-N 1 3 453.628 1.870 20 0 JDADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC001469579648 1068552077 /nfs/dbraw/zinc/55/20/77/1068552077.db2.gz NIHICLFGSKJHDI-HSZRJFAPSA-N 1 3 457.619 1.652 20 0 JDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC001470027054 1068670649 /nfs/dbraw/zinc/67/06/49/1068670649.db2.gz YOPZQYRNVKUDQL-LHSJRXKWSA-N 1 3 455.962 1.634 20 0 JDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC001470027054 1068670666 /nfs/dbraw/zinc/67/06/66/1068670666.db2.gz YOPZQYRNVKUDQL-LHSJRXKWSA-N 1 3 455.962 1.634 20 0 JDADHO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC001471322854 1068854186 /nfs/dbraw/zinc/85/41/86/1068854186.db2.gz QYEZWLCZTZEIPG-IBGZPJMESA-N 1 3 453.628 1.729 20 0 JDADHO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 ZINC001499462663 1069004013 /nfs/dbraw/zinc/00/40/13/1069004013.db2.gz IAILEIOZHWYJDI-UXHICEINSA-N 1 3 469.700 1.931 20 0 JDADHO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 ZINC001499462663 1069004022 /nfs/dbraw/zinc/00/40/22/1069004022.db2.gz IAILEIOZHWYJDI-UXHICEINSA-N 1 3 469.700 1.931 20 0 JDADHO CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCOCC2)CCN1CCOC ZINC001500260479 1069223678 /nfs/dbraw/zinc/22/36/78/1069223678.db2.gz YLASPIADNMFDFJ-NRFANRHFSA-N 1 3 474.654 1.727 20 0 JDADHO CCCC[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001500419945 1069250945 /nfs/dbraw/zinc/25/09/45/1069250945.db2.gz MZAGWXTZUROQJT-QFIPXVFZSA-N 1 3 468.650 1.739 20 0 JDADHO CCCC[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001500419945 1069250958 /nfs/dbraw/zinc/25/09/58/1069250958.db2.gz MZAGWXTZUROQJT-QFIPXVFZSA-N 1 3 468.650 1.739 20 0 JDADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(Cc4cccnc4)n3CC[N@@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001508229684 1072993182 /nfs/dbraw/zinc/99/31/82/1072993182.db2.gz CEOIEEMYCWXZGW-XUZZJYLKSA-N 1 3 482.677 1.983 20 0 JDADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(Cc4cccnc4)n3CC[N@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001508229684 1072993188 /nfs/dbraw/zinc/99/31/88/1072993188.db2.gz CEOIEEMYCWXZGW-XUZZJYLKSA-N 1 3 482.677 1.983 20 0 JDADHO CC(C)(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001508513900 1073269877 /nfs/dbraw/zinc/26/98/77/1073269877.db2.gz CEAKWIMRZKKJIZ-UHFFFAOYSA-N 1 3 461.655 1.167 20 0 JDADHO CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](C)C ZINC001509116560 1073506290 /nfs/dbraw/zinc/50/62/90/1073506290.db2.gz CRONZMXKRZOGOE-PWRODBHTSA-N 1 3 461.655 1.849 20 0 JDADHO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@H]3CCOC3)CC2)C1 ZINC001509410114 1073589315 /nfs/dbraw/zinc/58/93/15/1073589315.db2.gz ZUBMGXLQWPOFFF-FCHUYYIVSA-N 1 3 475.682 1.943 20 0 JDADHO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@H]3CCOC3)CC2)C1 ZINC001509410114 1073589325 /nfs/dbraw/zinc/58/93/25/1073589325.db2.gz ZUBMGXLQWPOFFF-FCHUYYIVSA-N 1 3 475.682 1.943 20 0 JDADHO CC(C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001509528196 1073669683 /nfs/dbraw/zinc/66/96/83/1073669683.db2.gz QPLXWCYNXVGDIP-OAQYLSRUSA-N 1 3 454.623 1.347 20 0 JDADHO CC(C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001509528196 1073669692 /nfs/dbraw/zinc/66/96/92/1073669692.db2.gz QPLXWCYNXVGDIP-OAQYLSRUSA-N 1 3 454.623 1.347 20 0 JDADHO CC(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509566468 1073687798 /nfs/dbraw/zinc/68/77/98/1073687798.db2.gz VMARBWWODYFEAH-OAQYLSRUSA-N 1 3 488.681 1.377 20 0 JDADHO CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509566468 1073687810 /nfs/dbraw/zinc/68/78/10/1073687810.db2.gz VMARBWWODYFEAH-OAQYLSRUSA-N 1 3 488.681 1.377 20 0 JDADHO CC(C)NC(=O)c1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CCN1CCCC1 ZINC001509585551 1073715178 /nfs/dbraw/zinc/71/51/78/1073715178.db2.gz MZRFYDAOMBPVCB-UHFFFAOYSA-N 1 3 457.627 1.309 20 0 JDADHO O=S1(=O)Cc2cn(-c3ccc(CN4CCCC4)cn3)c(=NCC3CC3)nc2[C@@H]2C[NH2+]C[C@H]21 ZINC001164793649 721475480 /nfs/dbraw/zinc/47/54/80/721475480.db2.gz XFBOFLJJULPUCN-WOJBJXKFSA-N 1 3 454.600 1.158 20 0 JDADHO CN(Cc1ccc(-n2cc3c(nc2=NCC2CC2)[C@@H]2C[NH2+]C[C@@H]2S(=O)(=O)C3)nc1)C1CC1 ZINC001164793528 721475653 /nfs/dbraw/zinc/47/56/53/721475653.db2.gz WXZLBNXNIYVUHE-UXHICEINSA-N 1 3 454.600 1.156 20 0 JDADHO CCC[N@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001500783795 1069311120 /nfs/dbraw/zinc/31/11/20/1069311120.db2.gz AOVWTNWSCIHEJT-HXUWFJFHSA-N 1 3 457.627 1.153 20 0 JDADHO CCC[N@@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001500783795 1069311136 /nfs/dbraw/zinc/31/11/36/1069311136.db2.gz AOVWTNWSCIHEJT-HXUWFJFHSA-N 1 3 457.627 1.153 20 0 JDADHO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(CN3CCOCC3)CC2)C1 ZINC001500918625 1069327956 /nfs/dbraw/zinc/32/79/56/1069327956.db2.gz UZEIUUHILCJEHR-NRFANRHFSA-N 1 3 461.655 1.697 20 0 JDADHO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(CN3CCOCC3)CC2)C1 ZINC001500918625 1069327974 /nfs/dbraw/zinc/32/79/74/1069327974.db2.gz UZEIUUHILCJEHR-NRFANRHFSA-N 1 3 461.655 1.697 20 0 JDADHO CCC[N@@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001500921807 1069330788 /nfs/dbraw/zinc/33/07/88/1069330788.db2.gz LOERKPHFPSPMBK-RBUKOAKNSA-N 1 3 455.673 1.398 20 0 JDADHO CCC[N@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001500921807 1069330803 /nfs/dbraw/zinc/33/08/03/1069330803.db2.gz LOERKPHFPSPMBK-RBUKOAKNSA-N 1 3 455.673 1.398 20 0 JDADHO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 ZINC001501040433 1069368146 /nfs/dbraw/zinc/36/81/46/1069368146.db2.gz ITVUCUMWOZTDMU-MSOLQXFVSA-N 1 3 455.673 1.683 20 0 JDADHO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 ZINC001501040433 1069368153 /nfs/dbraw/zinc/36/81/53/1069368153.db2.gz ITVUCUMWOZTDMU-MSOLQXFVSA-N 1 3 455.673 1.683 20 0 JDADHO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001501794398 1069721916 /nfs/dbraw/zinc/72/19/16/1069721916.db2.gz TWYKONGCTOYGOW-IBGZPJMESA-N 1 3 470.622 1.957 20 0 JDADHO C[C@@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@@H]1CN(C)CCN1C ZINC001476606964 1069754106 /nfs/dbraw/zinc/75/41/06/1069754106.db2.gz FEHOBXDTFBYGNU-PBHICJAKSA-N 1 3 454.417 1.352 20 0 JDADHO C[C@@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001476606964 1069754130 /nfs/dbraw/zinc/75/41/30/1069754130.db2.gz FEHOBXDTFBYGNU-PBHICJAKSA-N 1 3 454.417 1.352 20 0 JDADHO C[C@@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001476606964 1069754166 /nfs/dbraw/zinc/75/41/66/1069754166.db2.gz FEHOBXDTFBYGNU-PBHICJAKSA-N 1 3 454.417 1.352 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001501903808 1069774642 /nfs/dbraw/zinc/77/46/42/1069774642.db2.gz JTZJJEPBCALRNT-OAQYLSRUSA-N 1 3 485.681 1.934 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001501903807 1069775421 /nfs/dbraw/zinc/77/54/21/1069775421.db2.gz JTZJJEPBCALRNT-NRFANRHFSA-N 1 3 485.681 1.934 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001501903980 1069778619 /nfs/dbraw/zinc/77/86/19/1069778619.db2.gz PSGNRAPPAWTCIH-FQEVSTJZSA-N 1 3 454.623 1.815 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001501903980 1069778644 /nfs/dbraw/zinc/77/86/44/1069778644.db2.gz PSGNRAPPAWTCIH-FQEVSTJZSA-N 1 3 454.623 1.815 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001501906643 1069787759 /nfs/dbraw/zinc/78/77/59/1069787759.db2.gz KFUUAUMOFYPCBV-HXUWFJFHSA-N 1 3 463.671 1.750 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001501909829 1069799039 /nfs/dbraw/zinc/79/90/39/1069799039.db2.gz HNDLYLGDQIGNFL-UHFFFAOYSA-N 1 3 488.681 1.123 20 0 JDADHO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001501951574 1069805916 /nfs/dbraw/zinc/80/59/16/1069805916.db2.gz BGXAOSOPNZRGHR-REWPJTCUSA-N 1 3 483.665 1.846 20 0 JDADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC001477317500 1069812254 /nfs/dbraw/zinc/81/22/54/1069812254.db2.gz UROSRANYFUDUKT-QHCPKHFHSA-N 1 3 458.651 1.607 20 0 JDADHO CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)C(C)C ZINC001502203339 1069857033 /nfs/dbraw/zinc/85/70/33/1069857033.db2.gz IENNHONEOKQPMP-JOCHJYFZSA-N 1 3 474.698 1.736 20 0 JDADHO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)C(C)C ZINC001502203339 1069857034 /nfs/dbraw/zinc/85/70/34/1069857034.db2.gz IENNHONEOKQPMP-JOCHJYFZSA-N 1 3 474.698 1.736 20 0 JDADHO CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001502245003 1069920514 /nfs/dbraw/zinc/92/05/14/1069920514.db2.gz NRWJXLXRXFLPQT-RBUKOAKNSA-N 1 3 470.622 1.955 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001502245433 1069923224 /nfs/dbraw/zinc/92/32/24/1069923224.db2.gz SOUXLVRXLPFYQS-XWSJACJDSA-N 1 3 455.673 1.539 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC001502258149 1069958327 /nfs/dbraw/zinc/95/83/27/1069958327.db2.gz UURMBLGEHNCWHW-LXZJYRNTSA-N 1 3 483.683 1.013 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC001502258149 1069958346 /nfs/dbraw/zinc/95/83/46/1069958346.db2.gz UURMBLGEHNCWHW-LXZJYRNTSA-N 1 3 483.683 1.013 20 0 JDADHO CC[NH+]1CCC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC001502266159 1069978348 /nfs/dbraw/zinc/97/83/48/1069978348.db2.gz HVYJKEUFXRSHED-TZIWHRDSSA-N 1 3 497.710 1.169 20 0 JDADHO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001502282055 1070016661 /nfs/dbraw/zinc/01/66/61/1070016661.db2.gz RDLOMBBIYCTKCU-NNWRFLSQSA-N 1 3 488.681 1.280 20 0 JDADHO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001502282055 1070016674 /nfs/dbraw/zinc/01/66/74/1070016674.db2.gz RDLOMBBIYCTKCU-NNWRFLSQSA-N 1 3 488.681 1.280 20 0 JDADHO CCN1CCN(C(=O)CC2CCN(c3nnc(C)n3CC3CCN(CC[NH+](C)C)CC3)CC2)CC1 ZINC001502308605 1070063259 /nfs/dbraw/zinc/06/32/59/1070063259.db2.gz BBFFTWSCZIOXDT-UHFFFAOYSA-N 1 3 488.725 1.631 20 0 JDADHO CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@H](C[NH+](CC)CC)C2)CC1 ZINC001502312908 1070085868 /nfs/dbraw/zinc/08/58/68/1070085868.db2.gz UYBHKLVPIZJXSY-NHCUHLMSSA-N 1 3 455.655 1.929 20 0 JDADHO CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1C ZINC001502329618 1070161814 /nfs/dbraw/zinc/16/18/14/1070161814.db2.gz FKUYJLIAGQDOFS-OAQYLSRUSA-N 1 3 457.671 1.696 20 0 JDADHO CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C ZINC001502329618 1070161825 /nfs/dbraw/zinc/16/18/25/1070161825.db2.gz FKUYJLIAGQDOFS-OAQYLSRUSA-N 1 3 457.671 1.696 20 0 JDADHO CCN1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCCCCC3)C2)CC1 ZINC001502332507 1070171795 /nfs/dbraw/zinc/17/17/95/1070171795.db2.gz MBRWHHQFUYTPKF-OAQYLSRUSA-N 1 3 460.671 1.509 20 0 JDADHO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCN(Cc3c(C)nn(C)c3C)CC2)CC1 ZINC001502337462 1070205381 /nfs/dbraw/zinc/20/53/81/1070205381.db2.gz IGFSQALGFYGDGI-LJQANCHMSA-N 1 3 457.671 1.533 20 0 JDADHO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(CCOC)[C@H](C)C2)CC1 ZINC001502343768 1070244617 /nfs/dbraw/zinc/24/46/17/1070244617.db2.gz UGLNGOVHXDGJMX-BHDDXSALSA-N 1 3 463.671 1.213 20 0 JDADHO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2C[C@@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)CC1 ZINC001502349242 1070265228 /nfs/dbraw/zinc/26/52/28/1070265228.db2.gz QXXFHZSUVPVRRF-ISKFKSNPSA-N 1 3 488.725 1.808 20 0 JDADHO CCN1CC[NH+](CCCn2c(-c3cccc(C)n3)nnc2N2CCN(CCOC)CC2)CC1 ZINC001502356330 1070290032 /nfs/dbraw/zinc/29/00/32/1070290032.db2.gz MONAOKWHLSOKCB-UHFFFAOYSA-N 1 3 456.639 1.445 20 0 JDADHO C[C@@H]1CCC[N@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001493804766 1070350801 /nfs/dbraw/zinc/35/08/01/1070350801.db2.gz IDFXYYNIKKAMBG-UXHICEINSA-N 1 3 497.710 1.263 20 0 JDADHO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001493804766 1070350820 /nfs/dbraw/zinc/35/08/20/1070350820.db2.gz IDFXYYNIKKAMBG-UXHICEINSA-N 1 3 497.710 1.263 20 0 JDADHO CC(C)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001494055950 1070382520 /nfs/dbraw/zinc/38/25/20/1070382520.db2.gz TWNDTZQHIXYDKE-NRFANRHFSA-N 1 3 461.655 1.697 20 0 JDADHO CCO[C@]1(c2nnc(N3CCN(C4CCOCC4)CC3)n2C[C@@H](C)[NH+](CC)CC)CCOC1 ZINC001502720773 1070828546 /nfs/dbraw/zinc/82/85/46/1070828546.db2.gz AQFSOWOGIICLGM-HYBUGGRVSA-N 1 3 464.655 1.962 20 0 JDADHO CCO[C@@]1(c2nnc(N3CCN(C4CCOCC4)CC3)n2CC[N@H+](CC)C(C)C)CCOC1 ZINC001502721256 1070828962 /nfs/dbraw/zinc/82/89/62/1070828962.db2.gz DYOVWNNQYUMIHY-DEOSSOPVSA-N 1 3 464.655 1.962 20 0 JDADHO CCO[C@@]1(c2nnc(N3CCN(C4CCOCC4)CC3)n2CC[N@@H+](CC)C(C)C)CCOC1 ZINC001502721256 1070828963 /nfs/dbraw/zinc/82/89/63/1070828963.db2.gz DYOVWNNQYUMIHY-DEOSSOPVSA-N 1 3 464.655 1.962 20 0 JDADHO CC[C@H](C)[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001496188240 1070833262 /nfs/dbraw/zinc/83/32/62/1070833262.db2.gz LOCYDTFXYDPKNZ-NRFANRHFSA-N 1 3 485.681 1.614 20 0 JDADHO CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001496188240 1070833263 /nfs/dbraw/zinc/83/32/63/1070833263.db2.gz LOCYDTFXYDPKNZ-NRFANRHFSA-N 1 3 485.681 1.614 20 0 JDADHO COc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC001504198074 1070875509 /nfs/dbraw/zinc/87/55/09/1070875509.db2.gz LNFMAFLGBHRUTQ-DEOSSOPVSA-N 1 3 458.607 1.949 20 0 JDADHO COc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001504198074 1070875510 /nfs/dbraw/zinc/87/55/10/1070875510.db2.gz LNFMAFLGBHRUTQ-DEOSSOPVSA-N 1 3 458.607 1.949 20 0 JDADHO CCOCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CC1([NH+](C)C)CCC1 ZINC001503033318 1070987778 /nfs/dbraw/zinc/98/77/78/1070987778.db2.gz MBCUIZIAAGAIJS-CTNGQTDRSA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001503056664 1071011385 /nfs/dbraw/zinc/01/13/85/1071011385.db2.gz GSORWAXIXPTQCM-UHFFFAOYSA-N 1 3 450.628 1.210 20 0 JDADHO CCOCc1nnc(N2CCC(CN3CCOCC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503057652 1071013043 /nfs/dbraw/zinc/01/30/43/1071013043.db2.gz QCCHGSJCPLVQBW-UHFFFAOYSA-N 1 3 464.655 1.599 20 0 JDADHO CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001503098834 1071044981 /nfs/dbraw/zinc/04/49/81/1071044981.db2.gz HTORYBWBXLMARS-UHFFFAOYSA-N 1 3 461.655 1.681 20 0 JDADHO CCOCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001503115462 1071077196 /nfs/dbraw/zinc/07/71/96/1071077196.db2.gz QUVRIJQDDRYISW-FQEVSTJZSA-N 1 3 464.655 1.863 20 0 JDADHO COc1ccccc1-c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001504385281 1071118432 /nfs/dbraw/zinc/11/84/32/1071118432.db2.gz LKPSTNZYYFOBHD-IBGZPJMESA-N 1 3 455.607 1.648 20 0 JDADHO C[NH+](C)CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503401598 1071664670 /nfs/dbraw/zinc/66/46/70/1071664670.db2.gz BYNWTEOFZWMCJL-QGZVFWFLSA-N 1 3 496.454 1.772 20 0 JDADHO C[NH+](C)CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503401597 1071664712 /nfs/dbraw/zinc/66/47/12/1071664712.db2.gz BYNWTEOFZWMCJL-KRWDZBQOSA-N 1 3 496.454 1.772 20 0 JDADHO COCCC[N@H+](C)CCn1c(C(C)C)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504811803 1071683372 /nfs/dbraw/zinc/68/33/72/1071683372.db2.gz QOUNPDGLPKHBSO-IFMALSPDSA-N 1 3 463.671 1.749 20 0 JDADHO COCCC[N@@H+](C)CCn1c(C(C)C)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504811803 1071683377 /nfs/dbraw/zinc/68/33/77/1071683377.db2.gz QOUNPDGLPKHBSO-IFMALSPDSA-N 1 3 463.671 1.749 20 0 JDADHO COCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001504820513 1071706481 /nfs/dbraw/zinc/70/64/81/1071706481.db2.gz OAKCWZHINUGERR-OAQYLSRUSA-N 1 3 450.628 1.789 20 0 JDADHO COCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001504820513 1071706495 /nfs/dbraw/zinc/70/64/95/1071706495.db2.gz OAKCWZHINUGERR-OAQYLSRUSA-N 1 3 450.628 1.789 20 0 JDADHO COCC[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504850527 1071748189 /nfs/dbraw/zinc/74/81/89/1071748189.db2.gz GNDYXNLNHBNLIK-REWPJTCUSA-N 1 3 499.664 1.082 20 0 JDADHO COCC[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504850527 1071748204 /nfs/dbraw/zinc/74/82/04/1071748204.db2.gz GNDYXNLNHBNLIK-REWPJTCUSA-N 1 3 499.664 1.082 20 0 JDADHO COCC[N@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001504853053 1071757005 /nfs/dbraw/zinc/75/70/05/1071757005.db2.gz ZBOQNTGPWDSCBV-SFTDATJTSA-N 1 3 464.655 1.830 20 0 JDADHO COCC[N@@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001504853053 1071757020 /nfs/dbraw/zinc/75/70/20/1071757020.db2.gz ZBOQNTGPWDSCBV-SFTDATJTSA-N 1 3 464.655 1.830 20 0 JDADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)cc21 ZINC001466130953 1067862954 /nfs/dbraw/zinc/86/29/54/1067862954.db2.gz CMWRPLYCFZWSOZ-RTWAWAEBSA-N 1 3 451.571 1.916 20 0 JDADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)cc21 ZINC001466130953 1067862959 /nfs/dbraw/zinc/86/29/59/1067862959.db2.gz CMWRPLYCFZWSOZ-RTWAWAEBSA-N 1 3 451.571 1.916 20 0 JDADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@]3(C)CN(C(=O)OC(C)(C)C)CCO3)CC2)CC1 ZINC001468410894 1068272556 /nfs/dbraw/zinc/27/25/56/1068272556.db2.gz KPIZCWUYXPWKKM-HSZRJFAPSA-N 1 3 453.628 1.870 20 0 JDADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001468452495 1068281939 /nfs/dbraw/zinc/28/19/39/1068281939.db2.gz KYLLPPYQSGHCKN-JOCHJYFZSA-N 1 3 459.635 1.646 20 0 JDADHO C[NH+](C)C[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H]1C[NH+](C)C ZINC001470111970 1068701631 /nfs/dbraw/zinc/70/16/31/1068701631.db2.gz RSUIJMILWLUWFE-HUUCEWRRSA-N 1 3 480.462 1.653 20 0 JDADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC001470551089 1068781038 /nfs/dbraw/zinc/78/10/38/1068781038.db2.gz FBRGYHHSKTVUKM-DHIUTWEWSA-N 1 3 459.635 1.719 20 0 JDADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC001470551089 1068781048 /nfs/dbraw/zinc/78/10/48/1068781048.db2.gz FBRGYHHSKTVUKM-DHIUTWEWSA-N 1 3 459.635 1.719 20 0 JDADHO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 ZINC001499462662 1069003032 /nfs/dbraw/zinc/00/30/32/1069003032.db2.gz IAILEIOZHWYJDI-PMACEKPBSA-N 1 3 469.700 1.931 20 0 JDADHO CC[C@H]1CCCC[N@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 ZINC001499462662 1069003056 /nfs/dbraw/zinc/00/30/56/1069003056.db2.gz IAILEIOZHWYJDI-PMACEKPBSA-N 1 3 469.700 1.931 20 0 JDADHO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001500407494 1069244922 /nfs/dbraw/zinc/24/49/22/1069244922.db2.gz NTELGFLLWJTUAR-UHFFFAOYSA-N 1 3 461.655 1.795 20 0 JDADHO CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001500407494 1069244939 /nfs/dbraw/zinc/24/49/39/1069244939.db2.gz NTELGFLLWJTUAR-UHFFFAOYSA-N 1 3 461.655 1.795 20 0 JDADHO CCCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001500413887 1069247107 /nfs/dbraw/zinc/24/71/07/1069247107.db2.gz SMJXTCPYIJMZAE-UHFFFAOYSA-N 1 3 454.623 1.816 20 0 JDADHO CCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001500413887 1069247120 /nfs/dbraw/zinc/24/71/20/1069247120.db2.gz SMJXTCPYIJMZAE-UHFFFAOYSA-N 1 3 454.623 1.816 20 0 JDADHO C[C@H]1CN(C2CCOCC2)CCN1c1nnc([C@@H]2CCCCO2)n1CCOCC[NH+](C)C ZINC001505288723 1072471089 /nfs/dbraw/zinc/47/10/89/1072471089.db2.gz ZYWGLMDVIMXMEF-FPOVZHCZSA-N 1 3 450.628 1.787 20 0 JDADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(Cc4cccnc4)n3CC[N@@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001508229682 1072993557 /nfs/dbraw/zinc/99/35/57/1072993557.db2.gz CEOIEEMYCWXZGW-QPPBQGQZSA-N 1 3 482.677 1.983 20 0 JDADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(Cc4cccnc4)n3CC[N@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001508229682 1072993566 /nfs/dbraw/zinc/99/35/66/1072993566.db2.gz CEOIEEMYCWXZGW-QPPBQGQZSA-N 1 3 482.677 1.983 20 0 JDADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)C[NH+](C)C)C[C@H]2C)CC1 ZINC001508234401 1073003752 /nfs/dbraw/zinc/00/37/52/1073003752.db2.gz VCJMGRRLPZUGEA-DENIHFKCSA-N 1 3 483.665 1.702 20 0 JDADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)C[NH+](C)C)C[C@@H]2C)CC1 ZINC001508234419 1073004391 /nfs/dbraw/zinc/00/43/91/1073004391.db2.gz VCJMGRRLPZUGEA-UGKGYDQZSA-N 1 3 483.665 1.702 20 0 JDADHO CC(C)C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)[NH+](C)C ZINC001509106498 1073502849 /nfs/dbraw/zinc/50/28/49/1073502849.db2.gz MEXVWCBVLIWZOX-AZUAARDMSA-N 1 3 485.699 1.166 20 0 JDADHO CC(C)C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)[NH+](C)C ZINC001509106507 1073502974 /nfs/dbraw/zinc/50/29/74/1073502974.db2.gz MEXVWCBVLIWZOX-QUCCMNQESA-N 1 3 485.699 1.166 20 0 JDADHO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC001509410116 1073589040 /nfs/dbraw/zinc/58/90/40/1073589040.db2.gz ZUBMGXLQWPOFFF-VXKWHMMOSA-N 1 3 475.682 1.943 20 0 JDADHO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC001509410116 1073589048 /nfs/dbraw/zinc/58/90/48/1073589048.db2.gz ZUBMGXLQWPOFFF-VXKWHMMOSA-N 1 3 475.682 1.943 20 0 JDADHO CC(C)[N@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001509514090 1073659495 /nfs/dbraw/zinc/65/94/95/1073659495.db2.gz XEAWWLMQDAIQNB-UHFFFAOYSA-N 1 3 461.655 1.679 20 0 JDADHO CC(C)[N@@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001509514090 1073659501 /nfs/dbraw/zinc/65/95/01/1073659501.db2.gz XEAWWLMQDAIQNB-UHFFFAOYSA-N 1 3 461.655 1.679 20 0 JDADHO CC(C)[N@H+](C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 ZINC001509518580 1073661946 /nfs/dbraw/zinc/66/19/46/1073661946.db2.gz OBKLGPCJYVTZKB-OAQYLSRUSA-N 1 3 497.710 1.406 20 0 JDADHO CC(C)[N@@H+](C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 ZINC001509518580 1073661951 /nfs/dbraw/zinc/66/19/51/1073661951.db2.gz OBKLGPCJYVTZKB-OAQYLSRUSA-N 1 3 497.710 1.406 20 0 JDADHO CN(C)c1nccc(N2CCOC[C@@]3(CCCN(c4cccc(N5CC[NH+](C)CC5)n4)C3)C2)n1 ZINC001164664931 719357338 /nfs/dbraw/zinc/35/73/38/719357338.db2.gz STAQCPPMRNVSHI-RUZDIDTESA-N 1 3 466.634 1.813 20 0 JDADHO O=S1(=O)Cc2cn(-c3ccc(CN4CCCC4)cn3)c(=NCC3CC3)nc2[C@H]2C[NH2+]C[C@@H]21 ZINC001164793646 721475559 /nfs/dbraw/zinc/47/55/59/721475559.db2.gz XFBOFLJJULPUCN-PMACEKPBSA-N 1 3 454.600 1.158 20 0 JDADHO O=S1(=O)Cc2cn(-c3ccc(CN4CCCC4)cn3)c(=NCC3CC3)nc2[C@H]2C[NH2+]C[C@H]21 ZINC001164793648 721475582 /nfs/dbraw/zinc/47/55/82/721475582.db2.gz XFBOFLJJULPUCN-VQTJNVASSA-N 1 3 454.600 1.158 20 0 JDADHO CCC[NH+]1CCC(Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC001500936885 1069333604 /nfs/dbraw/zinc/33/36/04/1069333604.db2.gz WGAKAJVAMSXGKW-UHFFFAOYSA-N 1 3 483.665 1.848 20 0 JDADHO CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CCN(CC)CC2)CC1 ZINC001500983762 1069344826 /nfs/dbraw/zinc/34/48/26/1069344826.db2.gz PSKBDRQQDCRGNZ-OAQYLSRUSA-N 1 3 474.698 1.737 20 0 JDADHO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001501056345 1069371084 /nfs/dbraw/zinc/37/10/84/1069371084.db2.gz UXHLFRKOBGQKOP-SFTDATJTSA-N 1 3 497.710 1.263 20 0 JDADHO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001501056345 1069371096 /nfs/dbraw/zinc/37/10/96/1069371096.db2.gz UXHLFRKOBGQKOP-SFTDATJTSA-N 1 3 497.710 1.263 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001501903548 1069770305 /nfs/dbraw/zinc/77/03/05/1069770305.db2.gz AEOABQZGWVMYMZ-FQEVSTJZSA-N 1 3 469.638 1.457 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001501903597 1069770663 /nfs/dbraw/zinc/77/06/63/1069770663.db2.gz BYCVPPNRRKNZRK-UHFFFAOYSA-N 1 3 471.654 1.543 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001501903597 1069770700 /nfs/dbraw/zinc/77/07/00/1069770700.db2.gz BYCVPPNRRKNZRK-UHFFFAOYSA-N 1 3 471.654 1.543 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001501903635 1069771278 /nfs/dbraw/zinc/77/12/78/1069771278.db2.gz DFQQBIXGWZCDTQ-OAQYLSRUSA-N 1 3 499.664 1.226 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001501903635 1069771306 /nfs/dbraw/zinc/77/13/06/1069771306.db2.gz DFQQBIXGWZCDTQ-OAQYLSRUSA-N 1 3 499.664 1.226 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001501903699 1069773591 /nfs/dbraw/zinc/77/35/91/1069773591.db2.gz GAWMLBFGINPSCT-HXUWFJFHSA-N 1 3 488.681 1.342 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001501904133 1069779976 /nfs/dbraw/zinc/77/99/76/1069779976.db2.gz WAJLCKPSHHKXMD-HXUWFJFHSA-N 1 3 456.639 1.758 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCCCC2)CC1 ZINC001501903848 1069775477 /nfs/dbraw/zinc/77/54/77/1069775477.db2.gz LJFUVSBGGNJVLN-UHFFFAOYSA-N 1 3 457.627 1.155 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001501904161 1069779739 /nfs/dbraw/zinc/77/97/39/1069779739.db2.gz XADISVRWANZPIN-JOCHJYFZSA-N 1 3 485.681 1.789 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001501904133 1069779954 /nfs/dbraw/zinc/77/99/54/1069779954.db2.gz WAJLCKPSHHKXMD-HXUWFJFHSA-N 1 3 456.639 1.758 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001501906366 1069782967 /nfs/dbraw/zinc/78/29/67/1069782967.db2.gz BDMXFRUEWLCZBU-UHFFFAOYSA-N 1 3 468.650 1.739 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001501904224 1069782321 /nfs/dbraw/zinc/78/23/21/1069782321.db2.gz ZAXZVXGIFMHIQK-QFIPXVFZSA-N 1 3 498.676 1.831 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001501904224 1069782350 /nfs/dbraw/zinc/78/23/50/1069782350.db2.gz ZAXZVXGIFMHIQK-QFIPXVFZSA-N 1 3 498.676 1.831 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001501906650 1069787811 /nfs/dbraw/zinc/78/78/11/1069787811.db2.gz KHZJHILPWCNIJA-HSZRJFAPSA-N 1 3 465.712 1.904 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001501906651 1069788312 /nfs/dbraw/zinc/78/83/12/1069788312.db2.gz KHZJHILPWCNIJA-QHCPKHFHSA-N 1 3 465.712 1.904 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001501906642 1069788372 /nfs/dbraw/zinc/78/83/72/1069788372.db2.gz KFUUAUMOFYPCBV-FQEVSTJZSA-N 1 3 463.671 1.750 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001501910068 1069800025 /nfs/dbraw/zinc/80/00/25/1069800025.db2.gz MMMPDTAMRPDFPP-QFIPXVFZSA-N 1 3 482.677 1.986 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001501910068 1069800026 /nfs/dbraw/zinc/80/00/26/1069800026.db2.gz MMMPDTAMRPDFPP-QFIPXVFZSA-N 1 3 482.677 1.986 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001501910067 1069800062 /nfs/dbraw/zinc/80/00/62/1069800062.db2.gz MMMPDTAMRPDFPP-JOCHJYFZSA-N 1 3 482.677 1.986 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001501910067 1069800063 /nfs/dbraw/zinc/80/00/63/1069800063.db2.gz MMMPDTAMRPDFPP-JOCHJYFZSA-N 1 3 482.677 1.986 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001501910286 1069800477 /nfs/dbraw/zinc/80/04/77/1069800477.db2.gz QPYJETQPVFEUJY-OAQYLSRUSA-N 1 3 491.681 1.355 20 0 JDADHO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001501921623 1069802287 /nfs/dbraw/zinc/80/22/87/1069802287.db2.gz FODSJANBPANUJX-NRFANRHFSA-N 1 3 474.698 1.708 20 0 JDADHO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001501951572 1069806037 /nfs/dbraw/zinc/80/60/37/1069806037.db2.gz BGXAOSOPNZRGHR-NZQKXSOJSA-N 1 3 483.665 1.846 20 0 JDADHO CC[NH+](CC)CCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001501962440 1069808481 /nfs/dbraw/zinc/80/84/81/1069808481.db2.gz SLZSAHLVOZILIC-FQEVSTJZSA-N 1 3 461.655 1.822 20 0 JDADHO CC[N@H+](CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC001502193722 1069849818 /nfs/dbraw/zinc/84/98/18/1069849818.db2.gz NPJLUVIXRIZONH-OAQYLSRUSA-N 1 3 454.623 1.813 20 0 JDADHO CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC001502193722 1069849820 /nfs/dbraw/zinc/84/98/20/1069849820.db2.gz NPJLUVIXRIZONH-OAQYLSRUSA-N 1 3 454.623 1.813 20 0 JDADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001502245002 1069917446 /nfs/dbraw/zinc/91/74/46/1069917446.db2.gz NRWJXLXRXFLPQT-OALUTQOASA-N 1 3 470.622 1.955 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001502245429 1069922008 /nfs/dbraw/zinc/92/20/08/1069922008.db2.gz SNUWEQLPWACOCM-SLFFLAALSA-N 1 3 469.700 1.929 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001502245434 1069922746 /nfs/dbraw/zinc/92/27/46/1069922746.db2.gz SOUXLVRXLPFYQS-YRXWBPOGSA-N 1 3 455.673 1.539 20 0 JDADHO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](N3CCN(C(C)C)CC3)C2)C1 ZINC001502270686 1069989467 /nfs/dbraw/zinc/98/94/67/1069989467.db2.gz REWRXLFKKIVMLU-RTWAWAEBSA-N 1 3 460.671 1.363 20 0 JDADHO CC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](N3CCN(C(C)C)CC3)C2)C1 ZINC001502270686 1069989482 /nfs/dbraw/zinc/98/94/82/1069989482.db2.gz REWRXLFKKIVMLU-RTWAWAEBSA-N 1 3 460.671 1.363 20 0 JDADHO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001502282052 1070016512 /nfs/dbraw/zinc/01/65/12/1070016512.db2.gz RDLOMBBIYCTKCU-CEMLEFRQSA-N 1 3 488.681 1.280 20 0 JDADHO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001502282052 1070016530 /nfs/dbraw/zinc/01/65/30/1070016530.db2.gz RDLOMBBIYCTKCU-CEMLEFRQSA-N 1 3 488.681 1.280 20 0 JDADHO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 ZINC001502281531 1070013421 /nfs/dbraw/zinc/01/34/21/1070013421.db2.gz JMRPAYDTTHDLIL-PKOBYXMFSA-N 1 3 453.657 1.437 20 0 JDADHO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 ZINC001502281531 1070013443 /nfs/dbraw/zinc/01/34/43/1070013443.db2.gz JMRPAYDTTHDLIL-PKOBYXMFSA-N 1 3 453.657 1.437 20 0 JDADHO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 ZINC001502281530 1070013762 /nfs/dbraw/zinc/01/37/62/1070013762.db2.gz JMRPAYDTTHDLIL-MJGOQNOKSA-N 1 3 453.657 1.437 20 0 JDADHO CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 ZINC001502281530 1070013777 /nfs/dbraw/zinc/01/37/77/1070013777.db2.gz JMRPAYDTTHDLIL-MJGOQNOKSA-N 1 3 453.657 1.437 20 0 JDADHO CCN1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@H](CC(C)C)[NH+](C)C)C2)CC1 ZINC001502334673 1070188411 /nfs/dbraw/zinc/18/84/11/1070188411.db2.gz NMLNTJWZDREIRN-HKBOAZHASA-N 1 3 460.671 1.422 20 0 JDADHO CCN1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@@H](CC(C)C)[NH+](C)C)C2)CC1 ZINC001502334675 1070188711 /nfs/dbraw/zinc/18/87/11/1070188711.db2.gz NMLNTJWZDREIRN-NJYVYQBISA-N 1 3 460.671 1.422 20 0 JDADHO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(CCOC)[C@@H](C)C2)CC1 ZINC001502343770 1070243533 /nfs/dbraw/zinc/24/35/33/1070243533.db2.gz UGLNGOVHXDGJMX-FKBYEOEOSA-N 1 3 463.671 1.213 20 0 JDADHO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)CC1 ZINC001502349245 1070265423 /nfs/dbraw/zinc/26/54/23/1070265423.db2.gz QXXFHZSUVPVRRF-VWNXMTODSA-N 1 3 488.725 1.808 20 0 JDADHO CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCCN(CC(=O)N3CCCC3)CC2)CC1 ZINC001502349194 1070265582 /nfs/dbraw/zinc/26/55/82/1070265582.db2.gz POELZYVCFKJTGR-UHFFFAOYSA-N 1 3 488.725 1.954 20 0 JDADHO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCCN(CC(=O)N3CCCC3)CC2)CC1 ZINC001502349194 1070265612 /nfs/dbraw/zinc/26/56/12/1070265612.db2.gz POELZYVCFKJTGR-UHFFFAOYSA-N 1 3 488.725 1.954 20 0 JDADHO CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001502355527 1070287620 /nfs/dbraw/zinc/28/76/20/1070287620.db2.gz ZHHGHMUJHZKXBZ-FQEVSTJZSA-N 1 3 498.742 1.227 20 0 JDADHO CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001502355527 1070287634 /nfs/dbraw/zinc/28/76/34/1070287634.db2.gz ZHHGHMUJHZKXBZ-FQEVSTJZSA-N 1 3 498.742 1.227 20 0 JDADHO C[C@H]1CCC[N@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001493804761 1070351052 /nfs/dbraw/zinc/35/10/52/1070351052.db2.gz IDFXYYNIKKAMBG-PMACEKPBSA-N 1 3 497.710 1.263 20 0 JDADHO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001493804761 1070351070 /nfs/dbraw/zinc/35/10/70/1070351070.db2.gz IDFXYYNIKKAMBG-PMACEKPBSA-N 1 3 497.710 1.263 20 0 JDADHO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001494054769 1070381616 /nfs/dbraw/zinc/38/16/16/1070381616.db2.gz HXSUXDUGXGHNCF-IBGZPJMESA-N 1 3 469.700 1.931 20 0 JDADHO CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001494139100 1070431113 /nfs/dbraw/zinc/43/11/13/1070431113.db2.gz CZZSFVRKFTYGMN-HXUWFJFHSA-N 1 3 474.698 1.753 20 0 JDADHO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001494139100 1070431174 /nfs/dbraw/zinc/43/11/74/1070431174.db2.gz CZZSFVRKFTYGMN-HXUWFJFHSA-N 1 3 474.698 1.753 20 0 JDADHO CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001494139099 1070431612 /nfs/dbraw/zinc/43/16/12/1070431612.db2.gz CZZSFVRKFTYGMN-FQEVSTJZSA-N 1 3 474.698 1.753 20 0 JDADHO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001494139099 1070431668 /nfs/dbraw/zinc/43/16/68/1070431668.db2.gz CZZSFVRKFTYGMN-FQEVSTJZSA-N 1 3 474.698 1.753 20 0 JDADHO CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C[C@@H]1CCCN1CCCO ZINC001494142232 1070438409 /nfs/dbraw/zinc/43/84/09/1070438409.db2.gz UJNVPXQCLUIVHQ-CTNGQTDRSA-N 1 3 461.655 1.574 20 0 JDADHO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C[C@@H]1CCCN1CCCO ZINC001494142232 1070438448 /nfs/dbraw/zinc/43/84/48/1070438448.db2.gz UJNVPXQCLUIVHQ-CTNGQTDRSA-N 1 3 461.655 1.574 20 0 JDADHO COc1ccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2C[C@H](C)[NH+](C)C)cc1OC ZINC001504198226 1070875989 /nfs/dbraw/zinc/87/59/89/1070875989.db2.gz RSDSNGWDYCBQIP-IBGZPJMESA-N 1 3 485.633 1.657 20 0 JDADHO CCOCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001503029487 1070980059 /nfs/dbraw/zinc/98/00/59/1070980059.db2.gz AEGJRGSXLUFLHZ-ONTIZHBOSA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001503029487 1070980111 /nfs/dbraw/zinc/98/01/11/1070980111.db2.gz AEGJRGSXLUFLHZ-ONTIZHBOSA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1([NH+](C)C)CCC1 ZINC001503033319 1070988895 /nfs/dbraw/zinc/98/88/95/1070988895.db2.gz MBCUIZIAAGAIJS-FPOVZHCZSA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001503099909 1071048247 /nfs/dbraw/zinc/04/82/47/1071048247.db2.gz ZOGAFYACOPUGAV-FQEVSTJZSA-N 1 3 461.655 1.822 20 0 JDADHO CCOCc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001503115224 1071075965 /nfs/dbraw/zinc/07/59/65/1071075965.db2.gz LFODJFYINPCJFO-NRFANRHFSA-N 1 3 464.655 1.864 20 0 JDADHO CCOCc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001503115224 1071075983 /nfs/dbraw/zinc/07/59/83/1071075983.db2.gz LFODJFYINPCJFO-NRFANRHFSA-N 1 3 464.655 1.864 20 0 JDADHO COc1ccccc1-c1nnc(N2CCN(C3CCOCC3)CC2)n1CCOCC[NH+](C)C ZINC001504391462 1071127499 /nfs/dbraw/zinc/12/74/99/1071127499.db2.gz YFGXWPCGNRAKSE-UHFFFAOYSA-N 1 3 458.607 1.833 20 0 JDADHO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001503400517 1071661686 /nfs/dbraw/zinc/66/16/86/1071661686.db2.gz UVHMKMKGURHLTO-HXUWFJFHSA-N 1 3 482.695 1.317 20 0 JDADHO C[NH+](C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503403081 1071668786 /nfs/dbraw/zinc/66/87/86/1071668786.db2.gz LDRVVDPGNAFEIH-UHFFFAOYSA-N 1 3 490.052 1.921 20 0 JDADHO COCCC[N@H+](C)CCn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504811804 1071683408 /nfs/dbraw/zinc/68/34/08/1071683408.db2.gz QOUNPDGLPKHBSO-IRLDBZIGSA-N 1 3 463.671 1.749 20 0 JDADHO COCCC[N@@H+](C)CCn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504811804 1071683413 /nfs/dbraw/zinc/68/34/13/1071683413.db2.gz QOUNPDGLPKHBSO-IRLDBZIGSA-N 1 3 463.671 1.749 20 0 JDADHO COCC[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504850524 1071748396 /nfs/dbraw/zinc/74/83/96/1071748396.db2.gz GNDYXNLNHBNLIK-OFNKIYASSA-N 1 3 499.664 1.082 20 0 JDADHO COCC[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504850524 1071748413 /nfs/dbraw/zinc/74/84/13/1071748413.db2.gz GNDYXNLNHBNLIK-OFNKIYASSA-N 1 3 499.664 1.082 20 0 JDADHO COCC[N@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504851320 1071750301 /nfs/dbraw/zinc/75/03/01/1071750301.db2.gz LDUNXSUNRMRJOU-OAQYLSRUSA-N 1 3 470.622 1.051 20 0 JDADHO COCC[N@@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504851320 1071750311 /nfs/dbraw/zinc/75/03/11/1071750311.db2.gz LDUNXSUNRMRJOU-OAQYLSRUSA-N 1 3 470.622 1.051 20 0 JDADHO COCCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001504915070 1071876741 /nfs/dbraw/zinc/87/67/41/1071876741.db2.gz ZIOHWKKYYHUOPB-UHFFFAOYSA-N 1 3 471.650 1.748 20 0 JDADHO COCCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001504915070 1071876743 /nfs/dbraw/zinc/87/67/43/1071876743.db2.gz ZIOHWKKYYHUOPB-UHFFFAOYSA-N 1 3 471.650 1.748 20 0 JDADHO COCC[NH+]1CCC(NC(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)CC1 ZINC001468280019 1068220587 /nfs/dbraw/zinc/22/05/87/1068220587.db2.gz OVYGRVZUKPQKMO-UHFFFAOYSA-N 1 3 459.635 1.767 20 0 JDADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC001469579650 1068551903 /nfs/dbraw/zinc/55/19/03/1068551903.db2.gz NIHICLFGSKJHDI-QHCPKHFHSA-N 1 3 457.619 1.652 20 0 JDADHO COC(=O)[C@@]1(NC(=O)c2ccnc(N3CCN(C)CC3)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC001469625252 1068557683 /nfs/dbraw/zinc/55/76/83/1068557683.db2.gz RPIBWFOGYFCSEB-RUZDIDTESA-N 1 3 451.571 1.771 20 0 JDADHO COC(=O)[C@@]1(NC(=O)c2ccnc(N3CCN(C)CC3)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001469625252 1068557707 /nfs/dbraw/zinc/55/77/07/1068557707.db2.gz RPIBWFOGYFCSEB-RUZDIDTESA-N 1 3 451.571 1.771 20 0 JDADHO CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001500415810 1069248435 /nfs/dbraw/zinc/24/84/35/1069248435.db2.gz SAXJRHRLWMQXBH-NRFANRHFSA-N 1 3 461.655 1.996 20 0 JDADHO CCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001500415810 1069248448 /nfs/dbraw/zinc/24/84/48/1069248448.db2.gz SAXJRHRLWMQXBH-NRFANRHFSA-N 1 3 461.655 1.996 20 0 JDADHO CCC[N@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001500773242 1069308930 /nfs/dbraw/zinc/30/89/30/1069308930.db2.gz XTSRFPPZVDGYDR-UHFFFAOYSA-N 1 3 461.655 1.795 20 0 JDADHO CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001500773242 1069308949 /nfs/dbraw/zinc/30/89/49/1069308949.db2.gz XTSRFPPZVDGYDR-UHFFFAOYSA-N 1 3 461.655 1.795 20 0 JDADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3Cc3ccc(OCC[NH+](C)C)cc3)C[C@H]2C)CC1 ZINC001508233667 1073002070 /nfs/dbraw/zinc/00/20/70/1073002070.db2.gz RCMDSPZMLKVIJX-CJFMBICVSA-N 1 3 483.661 1.954 20 0 JDADHO CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001509404106 1073580484 /nfs/dbraw/zinc/58/04/84/1073580484.db2.gz JYDUMWJXNPJACA-PMACEKPBSA-N 1 3 469.700 1.788 20 0 JDADHO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@H]3CCOC3)CC2)C1 ZINC001509410115 1073589130 /nfs/dbraw/zinc/58/91/30/1073589130.db2.gz ZUBMGXLQWPOFFF-FGZHOGPDSA-N 1 3 475.682 1.943 20 0 JDADHO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@H]3CCOC3)CC2)C1 ZINC001509410115 1073589143 /nfs/dbraw/zinc/58/91/43/1073589143.db2.gz ZUBMGXLQWPOFFF-FGZHOGPDSA-N 1 3 475.682 1.943 20 0 JDADHO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC001509410117 1073589270 /nfs/dbraw/zinc/58/92/70/1073589270.db2.gz ZUBMGXLQWPOFFF-YADHBBJMSA-N 1 3 475.682 1.943 20 0 JDADHO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC001509410117 1073589283 /nfs/dbraw/zinc/58/92/83/1073589283.db2.gz ZUBMGXLQWPOFFF-YADHBBJMSA-N 1 3 475.682 1.943 20 0 JDADHO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509561297 1073682762 /nfs/dbraw/zinc/68/27/62/1073682762.db2.gz RAEBAGOMRVMXNG-PMACEKPBSA-N 1 3 474.654 1.092 20 0 JDADHO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509561297 1073682771 /nfs/dbraw/zinc/68/27/71/1073682771.db2.gz RAEBAGOMRVMXNG-PMACEKPBSA-N 1 3 474.654 1.092 20 0 JDADHO CC(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001509582366 1073705885 /nfs/dbraw/zinc/70/58/85/1073705885.db2.gz RBUKSWCEUMTJDJ-UHFFFAOYSA-N 1 3 488.706 1.826 20 0 JDADHO CC(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001509582366 1073705900 /nfs/dbraw/zinc/70/59/00/1073705900.db2.gz RBUKSWCEUMTJDJ-UHFFFAOYSA-N 1 3 488.706 1.826 20 0 JDADHO CC(C)N1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)CC[C@@H]21 ZINC001164839425 720507716 /nfs/dbraw/zinc/50/77/16/720507716.db2.gz UECDPTZAWXXVQQ-WFXMLNOXSA-N 1 3 473.647 1.143 20 0 JDADHO CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001500983761 1069344953 /nfs/dbraw/zinc/34/49/53/1069344953.db2.gz PSKBDRQQDCRGNZ-NRFANRHFSA-N 1 3 474.698 1.737 20 0 JDADHO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001501037878 1069367358 /nfs/dbraw/zinc/36/73/58/1069367358.db2.gz QDPJBLJKHFJSMO-NRFANRHFSA-N 1 3 461.655 1.839 20 0 JDADHO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001501037878 1069367369 /nfs/dbraw/zinc/36/73/69/1069367369.db2.gz QDPJBLJKHFJSMO-NRFANRHFSA-N 1 3 461.655 1.839 20 0 JDADHO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001501799809 1069725410 /nfs/dbraw/zinc/72/54/10/1069725410.db2.gz YRDBSBQUJLDCCH-AZUAARDMSA-N 1 3 457.627 1.152 20 0 JDADHO C[C@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@@H]1CN(C)CCN1C ZINC001476606967 1069753694 /nfs/dbraw/zinc/75/36/94/1069753694.db2.gz FEHOBXDTFBYGNU-YOEHRIQHSA-N 1 3 454.417 1.352 20 0 JDADHO C[C@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001476606967 1069753704 /nfs/dbraw/zinc/75/37/04/1069753704.db2.gz FEHOBXDTFBYGNU-YOEHRIQHSA-N 1 3 454.417 1.352 20 0 JDADHO C[C@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001476606967 1069753716 /nfs/dbraw/zinc/75/37/16/1069753716.db2.gz FEHOBXDTFBYGNU-YOEHRIQHSA-N 1 3 454.417 1.352 20 0 JDADHO C[C@@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@H]1CN(C)CCN1C ZINC001476606965 1069754796 /nfs/dbraw/zinc/75/47/96/1069754796.db2.gz FEHOBXDTFBYGNU-RHSMWYFYSA-N 1 3 454.417 1.352 20 0 JDADHO C[C@@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001476606965 1069754822 /nfs/dbraw/zinc/75/48/22/1069754822.db2.gz FEHOBXDTFBYGNU-RHSMWYFYSA-N 1 3 454.417 1.352 20 0 JDADHO C[C@@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001476606965 1069754840 /nfs/dbraw/zinc/75/48/40/1069754840.db2.gz FEHOBXDTFBYGNU-RHSMWYFYSA-N 1 3 454.417 1.352 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001501906549 1069786967 /nfs/dbraw/zinc/78/69/67/1069786967.db2.gz IALNGEVLAXDFRI-FQEVSTJZSA-N 1 3 493.722 1.600 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001501907536 1069795552 /nfs/dbraw/zinc/79/55/52/1069795552.db2.gz WUBLXMNQZWFDPH-QFIPXVFZSA-N 1 3 491.681 1.357 20 0 JDADHO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001501921624 1069802264 /nfs/dbraw/zinc/80/22/64/1069802264.db2.gz FODSJANBPANUJX-OAQYLSRUSA-N 1 3 474.698 1.708 20 0 JDADHO CN1CCN(Cc2ccc(CNC(=O)N3CCC(C)(C[NH+]4CCN(C)CC4)CC3)cc2)CC1 ZINC001477393207 1069818266 /nfs/dbraw/zinc/81/82/66/1069818266.db2.gz GWXIBVNXDYPSMF-UHFFFAOYSA-N 1 3 456.679 1.993 20 0 JDADHO CCN1C[C@@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](CC)C(C)C)C[C@@H]1C ZINC001502199232 1069854389 /nfs/dbraw/zinc/85/43/89/1069854389.db2.gz GYDZCYJWUYOSCK-ZCNNSNEGSA-N 1 3 485.699 1.260 20 0 JDADHO CCN1C[C@@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](CC)C(C)C)C[C@@H]1C ZINC001502199232 1069854391 /nfs/dbraw/zinc/85/43/91/1069854391.db2.gz GYDZCYJWUYOSCK-ZCNNSNEGSA-N 1 3 485.699 1.260 20 0 JDADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CCN(CC4CCOCC4)CC3)c2)C1 ZINC001477841249 1069866518 /nfs/dbraw/zinc/86/65/18/1069866518.db2.gz DGHPKKWQZXXELR-HSZRJFAPSA-N 1 3 457.619 1.638 20 0 JDADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N3CCN(CC4CCOCC4)CC3)c2)C1 ZINC001477841249 1069866519 /nfs/dbraw/zinc/86/65/19/1069866519.db2.gz DGHPKKWQZXXELR-HSZRJFAPSA-N 1 3 457.619 1.638 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001502245430 1069922417 /nfs/dbraw/zinc/92/24/17/1069922417.db2.gz SNUWEQLPWACOCM-UFYCRDLUSA-N 1 3 469.700 1.929 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001502245431 1069923344 /nfs/dbraw/zinc/92/33/44/1069923344.db2.gz SOUXLVRXLPFYQS-RDGPPVDQSA-N 1 3 455.673 1.539 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001502245432 1069923989 /nfs/dbraw/zinc/92/39/89/1069923989.db2.gz SOUXLVRXLPFYQS-VJANTYMQSA-N 1 3 455.673 1.539 20 0 JDADHO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 ZINC001502281529 1070013867 /nfs/dbraw/zinc/01/38/67/1070013867.db2.gz JMRPAYDTTHDLIL-IEBWSBKVSA-N 1 3 453.657 1.437 20 0 JDADHO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 ZINC001502281529 1070013882 /nfs/dbraw/zinc/01/38/82/1070013882.db2.gz JMRPAYDTTHDLIL-IEBWSBKVSA-N 1 3 453.657 1.437 20 0 JDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001478956265 1070072117 /nfs/dbraw/zinc/07/21/17/1070072117.db2.gz DXZPERLEJICGGC-SFHVURJKSA-N 1 3 457.616 1.504 20 0 JDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001478956265 1070072137 /nfs/dbraw/zinc/07/21/37/1070072137.db2.gz DXZPERLEJICGGC-SFHVURJKSA-N 1 3 457.616 1.504 20 0 JDADHO CCN1CCN([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001502312545 1070084639 /nfs/dbraw/zinc/08/46/39/1070084639.db2.gz OELSZOYHJRQXNY-LEWJYISDSA-N 1 3 474.698 1.813 20 0 JDADHO C[C@H](O)CN1CCN(C(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC001479248390 1070111762 /nfs/dbraw/zinc/11/17/62/1070111762.db2.gz WQHHGEBSBCIKGT-UXHICEINSA-N 1 3 455.644 1.806 20 0 JDADHO CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@H](CC(C)C)[NH+](C)C)C2)CC1 ZINC001502334676 1070189098 /nfs/dbraw/zinc/18/90/98/1070189098.db2.gz NMLNTJWZDREIRN-QHAWAJNXSA-N 1 3 460.671 1.422 20 0 JDADHO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCN(CCOC)[C@H](C)C2)CC1 ZINC001502345836 1070252289 /nfs/dbraw/zinc/25/22/89/1070252289.db2.gz GGFCJLBRNKGVHW-BHDDXSALSA-N 1 3 463.671 1.560 20 0 JDADHO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCN(CCOC)[C@H](C)C2)CC1 ZINC001502345845 1070252389 /nfs/dbraw/zinc/25/23/89/1070252389.db2.gz GGFCJLBRNKGVHW-YPAWHYETSA-N 1 3 463.671 1.560 20 0 JDADHO CCN1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001502360907 1070304232 /nfs/dbraw/zinc/30/42/32/1070304232.db2.gz UNGVNPMVKFRIOJ-UHFFFAOYSA-N 1 3 460.671 1.395 20 0 JDADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001493690866 1070336283 /nfs/dbraw/zinc/33/62/83/1070336283.db2.gz LDZROQMHQKIGDC-HSALFYBXSA-N 1 3 497.710 1.310 20 0 JDADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001493690866 1070336299 /nfs/dbraw/zinc/33/62/99/1070336299.db2.gz LDZROQMHQKIGDC-HSALFYBXSA-N 1 3 497.710 1.310 20 0 JDADHO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001493690876 1070336478 /nfs/dbraw/zinc/33/64/78/1070336478.db2.gz LDZROQMHQKIGDC-VAMGGRTRSA-N 1 3 497.710 1.310 20 0 JDADHO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493690876 1070336486 /nfs/dbraw/zinc/33/64/86/1070336486.db2.gz LDZROQMHQKIGDC-VAMGGRTRSA-N 1 3 497.710 1.310 20 0 JDADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001494054043 1070381670 /nfs/dbraw/zinc/38/16/70/1070381670.db2.gz AZORFXYSXDJUBR-RTWAWAEBSA-N 1 3 497.710 1.169 20 0 JDADHO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001495675636 1070813307 /nfs/dbraw/zinc/81/33/07/1070813307.db2.gz CDHMSCDWYJSLQO-LEWJYISDSA-N 1 3 475.682 1.770 20 0 JDADHO CCO[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2CCC[N@@H+]2CCCO)CCOC1 ZINC001502715605 1070823741 /nfs/dbraw/zinc/82/37/41/1070823741.db2.gz WRQZQTQXRIZPLD-YKSBVNFPSA-N 1 3 464.655 1.698 20 0 JDADHO CCO[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2CCC[N@H+]2CCCO)CCOC1 ZINC001502715605 1070823742 /nfs/dbraw/zinc/82/37/42/1070823742.db2.gz WRQZQTQXRIZPLD-YKSBVNFPSA-N 1 3 464.655 1.698 20 0 JDADHO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001503098146 1071041904 /nfs/dbraw/zinc/04/19/04/1071041904.db2.gz JYYYHDUZGOYYHD-HBMCJLEFSA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001503098146 1071041914 /nfs/dbraw/zinc/04/19/14/1071041914.db2.gz JYYYHDUZGOYYHD-HBMCJLEFSA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001503098147 1071042716 /nfs/dbraw/zinc/04/27/16/1071042716.db2.gz JYYYHDUZGOYYHD-HKBOAZHASA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001503098147 1071042721 /nfs/dbraw/zinc/04/27/21/1071042721.db2.gz JYYYHDUZGOYYHD-HKBOAZHASA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001503098145 1071041982 /nfs/dbraw/zinc/04/19/82/1071041982.db2.gz JYYYHDUZGOYYHD-ACRUOGEOSA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001503098145 1071041986 /nfs/dbraw/zinc/04/19/86/1071041986.db2.gz JYYYHDUZGOYYHD-ACRUOGEOSA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001503099380 1071045986 /nfs/dbraw/zinc/04/59/86/1071045986.db2.gz PSNOQZBRKAMVQP-FCHUYYIVSA-N 1 3 463.671 1.389 20 0 JDADHO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001503109638 1071063803 /nfs/dbraw/zinc/06/38/03/1071063803.db2.gz NNHGHVZUFYVLNY-RBBKRZOGSA-N 1 3 491.681 1.447 20 0 JDADHO CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001503109638 1071063817 /nfs/dbraw/zinc/06/38/17/1071063817.db2.gz NNHGHVZUFYVLNY-RBBKRZOGSA-N 1 3 491.681 1.447 20 0 JDADHO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001503109621 1071063864 /nfs/dbraw/zinc/06/38/64/1071063864.db2.gz MSYBVEAGCYHMGX-NHCUHLMSSA-N 1 3 463.671 1.530 20 0 JDADHO CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001503109621 1071063876 /nfs/dbraw/zinc/06/38/76/1071063876.db2.gz MSYBVEAGCYHMGX-NHCUHLMSSA-N 1 3 463.671 1.530 20 0 JDADHO C[NH+](C)CC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503397525 1071656239 /nfs/dbraw/zinc/65/62/39/1071656239.db2.gz BDLFYCAITBZCON-UHFFFAOYSA-N 1 3 468.650 1.596 20 0 JDADHO CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001503398209 1071657603 /nfs/dbraw/zinc/65/76/03/1071657603.db2.gz IDVFWXHCZHAPTP-OAQYLSRUSA-N 1 3 468.650 1.595 20 0 JDADHO C[NH+](C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503404038 1071670443 /nfs/dbraw/zinc/67/04/43/1071670443.db2.gz XIAXGIVBDZSCQO-UHFFFAOYSA-N 1 3 491.040 1.316 20 0 JDADHO C[NH+](C)CCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001503405641 1071674984 /nfs/dbraw/zinc/67/49/84/1071674984.db2.gz YUVPUQXQHNZDJU-OAQYLSRUSA-N 1 3 450.628 1.647 20 0 JDADHO COCC[N@H+](C)CCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)(C)C)CC1 ZINC001504849167 1071745593 /nfs/dbraw/zinc/74/55/93/1071745593.db2.gz AUJVVGCFNADITF-UHFFFAOYSA-N 1 3 461.611 1.895 20 0 JDADHO COCC[N@@H+](C)CCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)(C)C)CC1 ZINC001504849167 1071745599 /nfs/dbraw/zinc/74/55/99/1071745599.db2.gz AUJVVGCFNADITF-UHFFFAOYSA-N 1 3 461.611 1.895 20 0 JDADHO COCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504857031 1071773699 /nfs/dbraw/zinc/77/36/99/1071773699.db2.gz IIAFARQXPMFCMU-GBXCKJPGSA-N 1 3 498.676 1.606 20 0 JDADHO COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504857031 1071773714 /nfs/dbraw/zinc/77/37/14/1071773714.db2.gz IIAFARQXPMFCMU-GBXCKJPGSA-N 1 3 498.676 1.606 20 0 JDADHO COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001504917727 1071883789 /nfs/dbraw/zinc/88/37/89/1071883789.db2.gz WLKIAQKLIKNSGW-FPOVZHCZSA-N 1 3 458.611 1.249 20 0 JDADHO COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001504917727 1071883794 /nfs/dbraw/zinc/88/37/94/1071883794.db2.gz WLKIAQKLIKNSGW-FPOVZHCZSA-N 1 3 458.611 1.249 20 0 JDADHO COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001504917729 1071883848 /nfs/dbraw/zinc/88/38/48/1071883848.db2.gz WLKIAQKLIKNSGW-TZIWHRDSSA-N 1 3 458.611 1.249 20 0 JDADHO COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001504917729 1071883849 /nfs/dbraw/zinc/88/38/49/1071883849.db2.gz WLKIAQKLIKNSGW-TZIWHRDSSA-N 1 3 458.611 1.249 20 0 JDADHO CCN1CCN(Cc2ccccc2CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC001467603971 1068036671 /nfs/dbraw/zinc/03/66/71/1068036671.db2.gz RDXOABOQTIJXSS-UHFFFAOYSA-N 1 3 458.651 1.616 20 0 JDADHO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001468410931 1068272625 /nfs/dbraw/zinc/27/26/25/1068272625.db2.gz LIOLNOIBPCZIPM-SFHVURJKSA-N 1 3 451.637 1.601 20 0 JDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(n2cccn2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001470026704 1068668614 /nfs/dbraw/zinc/66/86/14/1068668614.db2.gz QPNUWIOMTZZRDD-IBGZPJMESA-N 1 3 450.628 1.998 20 0 JDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(n2cccn2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001470026704 1068668668 /nfs/dbraw/zinc/66/86/68/1068668668.db2.gz QPNUWIOMTZZRDD-IBGZPJMESA-N 1 3 450.628 1.998 20 0 JDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC001470772572 1068808488 /nfs/dbraw/zinc/80/84/88/1068808488.db2.gz RQVVFRSSCHQOFX-HNNXBMFYSA-N 1 3 459.579 1.256 20 0 JDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC001470772572 1068808489 /nfs/dbraw/zinc/80/84/89/1068808489.db2.gz RQVVFRSSCHQOFX-HNNXBMFYSA-N 1 3 459.579 1.256 20 0 JDADHO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)N2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC001471322856 1068854141 /nfs/dbraw/zinc/85/41/41/1068854141.db2.gz QYEZWLCZTZEIPG-LJQANCHMSA-N 1 3 453.628 1.729 20 0 JDADHO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 ZINC001499462664 1069003956 /nfs/dbraw/zinc/00/39/56/1069003956.db2.gz IAILEIOZHWYJDI-VQTJNVASSA-N 1 3 469.700 1.931 20 0 JDADHO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 ZINC001499462664 1069003972 /nfs/dbraw/zinc/00/39/72/1069003972.db2.gz IAILEIOZHWYJDI-VQTJNVASSA-N 1 3 469.700 1.931 20 0 JDADHO CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCC3)CC2)CC[NH+](C)CC1 ZINC001505188142 1072406541 /nfs/dbraw/zinc/40/65/41/1072406541.db2.gz QSMAERYWKDNMJF-SFHVURJKSA-N 1 3 499.751 1.780 20 0 JDADHO CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCC3)CC2)CC[NH+](C)CC1 ZINC001505188141 1072406622 /nfs/dbraw/zinc/40/66/22/1072406622.db2.gz QSMAERYWKDNMJF-GOSISDBHSA-N 1 3 499.751 1.780 20 0 JDADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3Cc3ccc(OCC[NH+](C)C)cc3)C[C@@H]2C)CC1 ZINC001508233673 1073002037 /nfs/dbraw/zinc/00/20/37/1073002037.db2.gz RCMDSPZMLKVIJX-NBGIEHNGSA-N 1 3 483.661 1.954 20 0 JDADHO CC(C)c1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001509014339 1073477296 /nfs/dbraw/zinc/47/72/96/1073477296.db2.gz OGYSFGZQNAXLFD-QHCPKHFHSA-N 1 3 490.741 1.659 20 0 JDADHO CC(C)c1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001509014339 1073477308 /nfs/dbraw/zinc/47/73/08/1073477308.db2.gz OGYSFGZQNAXLFD-QHCPKHFHSA-N 1 3 490.741 1.659 20 0 JDADHO CC(C)C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)[NH+](C)C ZINC001509106504 1073502870 /nfs/dbraw/zinc/50/28/70/1073502870.db2.gz MEXVWCBVLIWZOX-ICSRJNTNSA-N 1 3 485.699 1.166 20 0 JDADHO CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001509404115 1073580448 /nfs/dbraw/zinc/58/04/48/1073580448.db2.gz JYDUMWJXNPJACA-VQTJNVASSA-N 1 3 469.700 1.788 20 0 JDADHO CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC001509421800 1073596182 /nfs/dbraw/zinc/59/61/82/1073596182.db2.gz SWCSBELGOHLXHQ-QFIPXVFZSA-N 1 3 469.634 1.996 20 0 JDADHO CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC001509550233 1073676097 /nfs/dbraw/zinc/67/60/97/1073676097.db2.gz WDAZMRISQJSZIP-RTWAWAEBSA-N 1 3 461.655 1.644 20 0 JDADHO CC(C)[NH+](CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC001509550237 1073676142 /nfs/dbraw/zinc/67/61/42/1073676142.db2.gz WDAZMRISQJSZIP-SFTDATJTSA-N 1 3 461.655 1.644 20 0 JDADHO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509561306 1073683082 /nfs/dbraw/zinc/68/30/82/1073683082.db2.gz RAEBAGOMRVMXNG-VQTJNVASSA-N 1 3 474.654 1.092 20 0 JDADHO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509561306 1073683090 /nfs/dbraw/zinc/68/30/90/1073683090.db2.gz RAEBAGOMRVMXNG-VQTJNVASSA-N 1 3 474.654 1.092 20 0 JDADHO CC(C)N1CCN([C@H]2CCN(c3nnc(-c4cnccn4)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001509582373 1073705568 /nfs/dbraw/zinc/70/55/68/1073705568.db2.gz RDGVILPPUVKLFU-FQEVSTJZSA-N 1 3 455.655 1.928 20 0 JDADHO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1cccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164830663 720467514 /nfs/dbraw/zinc/46/75/14/720467514.db2.gz KQCLIEIRPMBIDI-IBGZPJMESA-N 1 3 455.607 1.195 20 0 JDADHO CN(Cc1ccc(-n2cc3c(nc2=NCC2CC2)[C@@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)nc1)C1CC1 ZINC001164793530 721475372 /nfs/dbraw/zinc/47/53/72/721475372.db2.gz WXZLBNXNIYVUHE-WOJBJXKFSA-N 1 3 454.600 1.156 20 0 JDADHO CCC[N@H+](CC)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001500783879 1069310935 /nfs/dbraw/zinc/31/09/35/1069310935.db2.gz DIAPGNBFTJHIPT-NRFANRHFSA-N 1 3 454.623 1.815 20 0 JDADHO CCC[N@@H+](CC)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001500783879 1069310966 /nfs/dbraw/zinc/31/09/66/1069310966.db2.gz DIAPGNBFTJHIPT-NRFANRHFSA-N 1 3 454.623 1.815 20 0 JDADHO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001500921805 1069330262 /nfs/dbraw/zinc/33/02/62/1069330262.db2.gz LOERKPHFPSPMBK-MOPGFXCFSA-N 1 3 455.673 1.398 20 0 JDADHO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001500921805 1069330283 /nfs/dbraw/zinc/33/02/83/1069330283.db2.gz LOERKPHFPSPMBK-MOPGFXCFSA-N 1 3 455.673 1.398 20 0 JDADHO CCC[NH+]1CCC(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC001500936716 1069333416 /nfs/dbraw/zinc/33/34/16/1069333416.db2.gz RNXMIPZOPMMVQQ-UHFFFAOYSA-N 1 3 485.681 1.791 20 0 JDADHO C[C@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@H]1CN(C)CCN1C ZINC001476606966 1069754610 /nfs/dbraw/zinc/75/46/10/1069754610.db2.gz FEHOBXDTFBYGNU-WMLDXEAASA-N 1 3 454.417 1.352 20 0 JDADHO C[C@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001476606966 1069754627 /nfs/dbraw/zinc/75/46/27/1069754627.db2.gz FEHOBXDTFBYGNU-WMLDXEAASA-N 1 3 454.417 1.352 20 0 JDADHO C[C@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001476606966 1069754658 /nfs/dbraw/zinc/75/46/58/1069754658.db2.gz FEHOBXDTFBYGNU-WMLDXEAASA-N 1 3 454.417 1.352 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001501901742 1069768914 /nfs/dbraw/zinc/76/89/14/1069768914.db2.gz YEUKZDRPGPIBJK-JOCHJYFZSA-N 1 3 451.685 1.829 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001501903675 1069773449 /nfs/dbraw/zinc/77/34/49/1069773449.db2.gz FKJRBLCPLFVVPQ-OAQYLSRUSA-N 1 3 483.665 1.846 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001501903675 1069773467 /nfs/dbraw/zinc/77/34/67/1069773467.db2.gz FKJRBLCPLFVVPQ-OAQYLSRUSA-N 1 3 483.665 1.846 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001501903851 1069775709 /nfs/dbraw/zinc/77/57/09/1069775709.db2.gz LKMONAIQJXPWRZ-NHCUHLMSSA-N 1 3 485.681 1.789 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001501903851 1069775742 /nfs/dbraw/zinc/77/57/42/1069775742.db2.gz LKMONAIQJXPWRZ-NHCUHLMSSA-N 1 3 485.681 1.789 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001501906444 1069784113 /nfs/dbraw/zinc/78/41/13/1069784113.db2.gz DNVSEEDSNZAALW-UHFFFAOYSA-N 1 3 482.677 1.986 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001501904156 1069780461 /nfs/dbraw/zinc/78/04/61/1069780461.db2.gz WWPCHCSYOFGGSN-QHCPKHFHSA-N 1 3 493.660 1.972 20 0 JDADHO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001501951573 1069805850 /nfs/dbraw/zinc/80/58/50/1069805850.db2.gz BGXAOSOPNZRGHR-OFNKIYASSA-N 1 3 483.665 1.846 20 0 JDADHO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001501949752 1069806084 /nfs/dbraw/zinc/80/60/84/1069806084.db2.gz SHPKJWKWARYVGT-OAQYLSRUSA-N 1 3 454.623 1.815 20 0 JDADHO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001501978104 1069810191 /nfs/dbraw/zinc/81/01/91/1069810191.db2.gz KKOICFBPBFBFNX-HXUWFJFHSA-N 1 3 454.623 1.815 20 0 JDADHO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001501980668 1069810557 /nfs/dbraw/zinc/81/05/57/1069810557.db2.gz HGMFWBCJNKVFSD-NHCUHLMSSA-N 1 3 461.655 1.994 20 0 JDADHO CC[N@H+](CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC001502193721 1069849737 /nfs/dbraw/zinc/84/97/37/1069849737.db2.gz NPJLUVIXRIZONH-NRFANRHFSA-N 1 3 454.623 1.813 20 0 JDADHO CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC001502193721 1069849738 /nfs/dbraw/zinc/84/97/38/1069849738.db2.gz NPJLUVIXRIZONH-NRFANRHFSA-N 1 3 454.623 1.813 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001502245428 1069920341 /nfs/dbraw/zinc/92/03/41/1069920341.db2.gz SNUWEQLPWACOCM-HSALFYBXSA-N 1 3 469.700 1.929 20 0 JDADHO CC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](N3CCN(C(C)C)CC3)C2)C1 ZINC001502270684 1069989857 /nfs/dbraw/zinc/98/98/57/1069989857.db2.gz REWRXLFKKIVMLU-LEWJYISDSA-N 1 3 460.671 1.363 20 0 JDADHO CC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](N3CCN(C(C)C)CC3)C2)C1 ZINC001502270684 1069989884 /nfs/dbraw/zinc/98/98/84/1069989884.db2.gz REWRXLFKKIVMLU-LEWJYISDSA-N 1 3 460.671 1.363 20 0 JDADHO CCN1CCN([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001502312548 1070084413 /nfs/dbraw/zinc/08/44/13/1070084413.db2.gz OELSZOYHJRQXNY-SFTDATJTSA-N 1 3 474.698 1.813 20 0 JDADHO CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC001502312910 1070085475 /nfs/dbraw/zinc/08/54/75/1070085475.db2.gz UYBHKLVPIZJXSY-SFTDATJTSA-N 1 3 455.655 1.929 20 0 JDADHO CCN1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCCCCC3)C2)CC1 ZINC001502332506 1070171441 /nfs/dbraw/zinc/17/14/41/1070171441.db2.gz MBRWHHQFUYTPKF-NRFANRHFSA-N 1 3 460.671 1.509 20 0 JDADHO CCN1CCN([C@H]2CCN(c3nnc(C)n3CCc3ccc(OCC[NH+](C)C)cc3)C2)CC1 ZINC001502333642 1070179928 /nfs/dbraw/zinc/17/99/28/1070179928.db2.gz NMNKZRMNEZHKGQ-QHCPKHFHSA-N 1 3 455.651 1.986 20 0 JDADHO CCN1CCN([C@@H]2CCN(c3nnc(C)n3CCc3ccc(OCC[NH+](C)C)cc3)C2)CC1 ZINC001502333641 1070180214 /nfs/dbraw/zinc/18/02/14/1070180214.db2.gz NMNKZRMNEZHKGQ-HSZRJFAPSA-N 1 3 455.651 1.986 20 0 JDADHO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(CCOC)[C@H](C)C2)CC1 ZINC001502343767 1070243007 /nfs/dbraw/zinc/24/30/07/1070243007.db2.gz UGLNGOVHXDGJMX-BDTNDASRSA-N 1 3 463.671 1.213 20 0 JDADHO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)CC1 ZINC001502349243 1070266067 /nfs/dbraw/zinc/26/60/67/1070266067.db2.gz QXXFHZSUVPVRRF-LADGPHEKSA-N 1 3 488.725 1.808 20 0 JDADHO CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC001502352991 1070277898 /nfs/dbraw/zinc/27/78/98/1070277898.db2.gz UPQBGNZNLOICCY-OAQYLSRUSA-N 1 3 474.698 1.755 20 0 JDADHO CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC001502352991 1070277925 /nfs/dbraw/zinc/27/79/25/1070277925.db2.gz UPQBGNZNLOICCY-OAQYLSRUSA-N 1 3 474.698 1.755 20 0 JDADHO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001493690849 1070336735 /nfs/dbraw/zinc/33/67/35/1070336735.db2.gz LDZROQMHQKIGDC-AABGKKOBSA-N 1 3 497.710 1.310 20 0 JDADHO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493690849 1070336753 /nfs/dbraw/zinc/33/67/53/1070336753.db2.gz LDZROQMHQKIGDC-AABGKKOBSA-N 1 3 497.710 1.310 20 0 JDADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001493796718 1070348377 /nfs/dbraw/zinc/34/83/77/1070348377.db2.gz MGSDMKUZQHNOSN-HSALFYBXSA-N 1 3 497.710 1.310 20 0 JDADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493796718 1070348396 /nfs/dbraw/zinc/34/83/96/1070348396.db2.gz MGSDMKUZQHNOSN-HSALFYBXSA-N 1 3 497.710 1.310 20 0 JDADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001494054770 1070382669 /nfs/dbraw/zinc/38/26/69/1070382669.db2.gz HXSUXDUGXGHNCF-LJQANCHMSA-N 1 3 469.700 1.931 20 0 JDADHO CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@@H]1CCCN1CCCO ZINC001494142237 1070439767 /nfs/dbraw/zinc/43/97/67/1070439767.db2.gz UJNVPXQCLUIVHQ-FPOVZHCZSA-N 1 3 461.655 1.574 20 0 JDADHO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@@H]1CCCN1CCCO ZINC001494142237 1070439784 /nfs/dbraw/zinc/43/97/84/1070439784.db2.gz UJNVPXQCLUIVHQ-FPOVZHCZSA-N 1 3 461.655 1.574 20 0 JDADHO CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C[C@H]1CCCN1CCCO ZINC001494142245 1070438570 /nfs/dbraw/zinc/43/85/70/1070438570.db2.gz UJNVPXQCLUIVHQ-TZIWHRDSSA-N 1 3 461.655 1.574 20 0 JDADHO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C[C@H]1CCCN1CCCO ZINC001494142245 1070438596 /nfs/dbraw/zinc/43/85/96/1070438596.db2.gz UJNVPXQCLUIVHQ-TZIWHRDSSA-N 1 3 461.655 1.574 20 0 JDADHO CCO[C@]1(c2nnc(N3CCN(C4CCOCC4)CC3)n2C[C@H](C)[NH+](CC)CC)CCOC1 ZINC001502720772 1070828429 /nfs/dbraw/zinc/82/84/29/1070828429.db2.gz AQFSOWOGIICLGM-GBXCKJPGSA-N 1 3 464.655 1.962 20 0 JDADHO COc1ccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001504198227 1070875931 /nfs/dbraw/zinc/87/59/31/1070875931.db2.gz RSDSNGWDYCBQIP-LJQANCHMSA-N 1 3 485.633 1.657 20 0 JDADHO CCOCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001503029490 1070981069 /nfs/dbraw/zinc/98/10/69/1070981069.db2.gz AEGJRGSXLUFLHZ-TUNNFDKTSA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001503029490 1070981095 /nfs/dbraw/zinc/98/10/95/1070981095.db2.gz AEGJRGSXLUFLHZ-TUNNFDKTSA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC1([NH+](C)C)CCC1 ZINC001503033320 1070987460 /nfs/dbraw/zinc/98/74/60/1070987460.db2.gz MBCUIZIAAGAIJS-PZJWPPBQSA-N 1 3 461.655 1.678 20 0 JDADHO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001503099217 1071045435 /nfs/dbraw/zinc/04/54/35/1071045435.db2.gz QIDXUFQGWASAPN-NHCUHLMSSA-N 1 3 461.655 1.679 20 0 JDADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N2CCN(C3CCOCC3)CC2)nnc1C(C)(C)C ZINC001503356861 1071556951 /nfs/dbraw/zinc/55/69/51/1071556951.db2.gz BDWHFXFQSNARTQ-OAQYLSRUSA-N 1 3 475.682 1.819 20 0 JDADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(N2CCN(C3CCOCC3)CC2)nnc1C(C)(C)C ZINC001503356861 1071556976 /nfs/dbraw/zinc/55/69/76/1071556976.db2.gz BDWHFXFQSNARTQ-OAQYLSRUSA-N 1 3 475.682 1.819 20 0 JDADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001503357960 1071562207 /nfs/dbraw/zinc/56/22/07/1071562207.db2.gz CEGAMOLHAIRYSG-OALUTQOASA-N 1 3 474.654 1.092 20 0 JDADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001503357960 1071562222 /nfs/dbraw/zinc/56/22/22/1071562222.db2.gz CEGAMOLHAIRYSG-OALUTQOASA-N 1 3 474.654 1.092 20 0 JDADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001503357959 1071562620 /nfs/dbraw/zinc/56/26/20/1071562620.db2.gz CEGAMOLHAIRYSG-MOPGFXCFSA-N 1 3 474.654 1.092 20 0 JDADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001503357959 1071562652 /nfs/dbraw/zinc/56/26/52/1071562652.db2.gz CEGAMOLHAIRYSG-MOPGFXCFSA-N 1 3 474.654 1.092 20 0 JDADHO CN1CCC[C@H]1C(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001503399178 1071659248 /nfs/dbraw/zinc/65/92/48/1071659248.db2.gz RQTXPNDLZRZWJU-NRFANRHFSA-N 1 3 468.650 1.595 20 0 JDADHO COCC[N@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001504851936 1071752071 /nfs/dbraw/zinc/75/20/71/1071752071.db2.gz SBQXTMLPQGRFOV-UHFFFAOYSA-N 1 3 457.623 1.918 20 0 JDADHO COCC[N@@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001504851936 1071752082 /nfs/dbraw/zinc/75/20/82/1071752082.db2.gz SBQXTMLPQGRFOV-UHFFFAOYSA-N 1 3 457.623 1.918 20 0 JDADHO COCC[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504850521 1071748529 /nfs/dbraw/zinc/74/85/29/1071748529.db2.gz GNDYXNLNHBNLIK-NZQKXSOJSA-N 1 3 499.664 1.082 20 0 JDADHO COCC[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504850521 1071748539 /nfs/dbraw/zinc/74/85/39/1071748539.db2.gz GNDYXNLNHBNLIK-NZQKXSOJSA-N 1 3 499.664 1.082 20 0 JDADHO COCC[N@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504851318 1071750356 /nfs/dbraw/zinc/75/03/56/1071750356.db2.gz LDUNXSUNRMRJOU-NRFANRHFSA-N 1 3 470.622 1.051 20 0 JDADHO COCC[N@@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504851318 1071750366 /nfs/dbraw/zinc/75/03/66/1071750366.db2.gz LDUNXSUNRMRJOU-NRFANRHFSA-N 1 3 470.622 1.051 20 0 JDADHO COCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504854176 1071761509 /nfs/dbraw/zinc/76/15/09/1071761509.db2.gz KDKDUKGHFWWXIF-NRFANRHFSA-N 1 3 490.052 1.920 20 0 JDADHO COCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504854176 1071761518 /nfs/dbraw/zinc/76/15/18/1071761518.db2.gz KDKDUKGHFWWXIF-NRFANRHFSA-N 1 3 490.052 1.920 20 0 JDADHO COCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504857034 1071773287 /nfs/dbraw/zinc/77/32/87/1071773287.db2.gz IIAFARQXPMFCMU-YKSBVNFPSA-N 1 3 498.676 1.606 20 0 JDADHO COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504857034 1071773302 /nfs/dbraw/zinc/77/33/02/1071773302.db2.gz IIAFARQXPMFCMU-YKSBVNFPSA-N 1 3 498.676 1.606 20 0 JDADHO COCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504857033 1071773433 /nfs/dbraw/zinc/77/34/33/1071773433.db2.gz IIAFARQXPMFCMU-RDPSFJRHSA-N 1 3 498.676 1.606 20 0 JDADHO COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504857033 1071773450 /nfs/dbraw/zinc/77/34/50/1071773450.db2.gz IIAFARQXPMFCMU-RDPSFJRHSA-N 1 3 498.676 1.606 20 0 JDADHO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001505080609 1072204512 /nfs/dbraw/zinc/20/45/12/1072204512.db2.gz NWRNBIIPWZULEP-SFTDATJTSA-N 1 3 464.655 1.891 20 0 JDADHO COC(=O)[C@]1(NC(=O)c2ccnc(N3CCN(C)CC3)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC001469625253 1068557955 /nfs/dbraw/zinc/55/79/55/1068557955.db2.gz RPIBWFOGYFCSEB-VWLOTQADSA-N 1 3 451.571 1.771 20 0 JDADHO COC(=O)[C@]1(NC(=O)c2ccnc(N3CCN(C)CC3)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001469625253 1068557972 /nfs/dbraw/zinc/55/79/72/1068557972.db2.gz RPIBWFOGYFCSEB-VWLOTQADSA-N 1 3 451.571 1.771 20 0 JDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC001470772709 1068808720 /nfs/dbraw/zinc/80/87/20/1068808720.db2.gz LVFXQNLSPZCWLZ-OALUTQOASA-N 1 3 450.603 1.752 20 0 JDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC001470772709 1068808722 /nfs/dbraw/zinc/80/87/22/1068808722.db2.gz LVFXQNLSPZCWLZ-OALUTQOASA-N 1 3 450.603 1.752 20 0 JDADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(Cc4cccnc4)n3CC[N@@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001508229685 1072993364 /nfs/dbraw/zinc/99/33/64/1072993364.db2.gz CEOIEEMYCWXZGW-ZJSXRUAMSA-N 1 3 482.677 1.983 20 0 JDADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(Cc4cccnc4)n3CC[N@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001508229685 1072993380 /nfs/dbraw/zinc/99/33/80/1072993380.db2.gz CEOIEEMYCWXZGW-ZJSXRUAMSA-N 1 3 482.677 1.983 20 0 JDADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3Cc3ccc(OCC[NH+](C)C)cc3)C[C@@H]2C)CC1 ZINC001508233670 1073001940 /nfs/dbraw/zinc/00/19/40/1073001940.db2.gz RCMDSPZMLKVIJX-CPJSRVTESA-N 1 3 483.661 1.954 20 0 JDADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)C[NH+](C)C)C[C@H]2C)CC1 ZINC001508234407 1073003610 /nfs/dbraw/zinc/00/36/10/1073003610.db2.gz VCJMGRRLPZUGEA-KNQAVFIVSA-N 1 3 483.665 1.702 20 0 JDADHO CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001508994490 1073467189 /nfs/dbraw/zinc/46/71/89/1073467189.db2.gz UTCKZGDZXIWFQS-UHFFFAOYSA-N 1 3 461.655 1.381 20 0 JDADHO CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](C)C ZINC001509116562 1073506003 /nfs/dbraw/zinc/50/60/03/1073506003.db2.gz CRONZMXKRZOGOE-QHAWAJNXSA-N 1 3 461.655 1.849 20 0 JDADHO CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509423529 1073597221 /nfs/dbraw/zinc/59/72/21/1073597221.db2.gz UVBYBDRBGQEVGO-OAQYLSRUSA-N 1 3 471.654 1.399 20 0 JDADHO CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509423529 1073597227 /nfs/dbraw/zinc/59/72/27/1073597227.db2.gz UVBYBDRBGQEVGO-OAQYLSRUSA-N 1 3 471.654 1.399 20 0 JDADHO CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509423525 1073597488 /nfs/dbraw/zinc/59/74/88/1073597488.db2.gz UVBYBDRBGQEVGO-NRFANRHFSA-N 1 3 471.654 1.399 20 0 JDADHO CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509423525 1073597506 /nfs/dbraw/zinc/59/75/06/1073597506.db2.gz UVBYBDRBGQEVGO-NRFANRHFSA-N 1 3 471.654 1.399 20 0 JDADHO CC(C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001509528193 1073669082 /nfs/dbraw/zinc/66/90/82/1073669082.db2.gz QPLXWCYNXVGDIP-NRFANRHFSA-N 1 3 454.623 1.347 20 0 JDADHO CC(C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001509528193 1073669092 /nfs/dbraw/zinc/66/90/92/1073669092.db2.gz QPLXWCYNXVGDIP-NRFANRHFSA-N 1 3 454.623 1.347 20 0 JDADHO CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC001509550231 1073675265 /nfs/dbraw/zinc/67/52/65/1073675265.db2.gz WDAZMRISQJSZIP-NHCUHLMSSA-N 1 3 461.655 1.644 20 0 JDADHO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509561308 1073682940 /nfs/dbraw/zinc/68/29/40/1073682940.db2.gz RAEBAGOMRVMXNG-WOJBJXKFSA-N 1 3 474.654 1.092 20 0 JDADHO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509561308 1073682945 /nfs/dbraw/zinc/68/29/45/1073682945.db2.gz RAEBAGOMRVMXNG-WOJBJXKFSA-N 1 3 474.654 1.092 20 0 JDADHO CN(C)c1nccc(N2CCOC[C@]3(CCCN(c4cccc(N5CC[NH+](C)CC5)n4)C3)C2)n1 ZINC001164664933 719356985 /nfs/dbraw/zinc/35/69/85/719356985.db2.gz STAQCPPMRNVSHI-VWLOTQADSA-N 1 3 466.634 1.813 20 0 JDADHO CC(C)N1[C@@H]2CCN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839422 720507747 /nfs/dbraw/zinc/50/77/47/720507747.db2.gz UECDPTZAWXXVQQ-BBTUJRGHSA-N 1 3 473.647 1.143 20 0 JDADHO CN(Cc1ccc(-n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@@H]2S(=O)(=O)C3)nc1)C1CC1 ZINC001164793527 721475314 /nfs/dbraw/zinc/47/53/14/721475314.db2.gz WXZLBNXNIYVUHE-PMACEKPBSA-N 1 3 454.600 1.156 20 0 JDADHO CCC[N@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001500783794 1069310468 /nfs/dbraw/zinc/31/04/68/1069310468.db2.gz AOVWTNWSCIHEJT-FQEVSTJZSA-N 1 3 457.627 1.153 20 0 JDADHO CCC[N@@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001500783794 1069310486 /nfs/dbraw/zinc/31/04/86/1069310486.db2.gz AOVWTNWSCIHEJT-FQEVSTJZSA-N 1 3 457.627 1.153 20 0 JDADHO CCC[N@H+](CC)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001500789986 1069314878 /nfs/dbraw/zinc/31/48/78/1069314878.db2.gz MZGGBYBYFHAZBQ-IBGZPJMESA-N 1 3 485.699 1.263 20 0 JDADHO CCC[N@@H+](CC)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001500789986 1069314904 /nfs/dbraw/zinc/31/49/04/1069314904.db2.gz MZGGBYBYFHAZBQ-IBGZPJMESA-N 1 3 485.699 1.263 20 0 JDADHO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(CN3CCOCC3)CC2)C1 ZINC001500918626 1069327685 /nfs/dbraw/zinc/32/76/85/1069327685.db2.gz UZEIUUHILCJEHR-OAQYLSRUSA-N 1 3 461.655 1.697 20 0 JDADHO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(CN3CCOCC3)CC2)C1 ZINC001500918626 1069327706 /nfs/dbraw/zinc/32/77/06/1069327706.db2.gz UZEIUUHILCJEHR-OAQYLSRUSA-N 1 3 461.655 1.697 20 0 JDADHO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCN(CC)CC2)CC1 ZINC001500972405 1069342976 /nfs/dbraw/zinc/34/29/76/1069342976.db2.gz FSHLURCKEWMBOW-OAQYLSRUSA-N 1 3 460.671 1.567 20 0 JDADHO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 ZINC001501040435 1069367940 /nfs/dbraw/zinc/36/79/40/1069367940.db2.gz ITVUCUMWOZTDMU-ROUUACIJSA-N 1 3 455.673 1.683 20 0 JDADHO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 ZINC001501040435 1069367952 /nfs/dbraw/zinc/36/79/52/1069367952.db2.gz ITVUCUMWOZTDMU-ROUUACIJSA-N 1 3 455.673 1.683 20 0 JDADHO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001501056344 1069371378 /nfs/dbraw/zinc/37/13/78/1069371378.db2.gz UXHLFRKOBGQKOP-LEWJYISDSA-N 1 3 497.710 1.263 20 0 JDADHO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001501056344 1069371385 /nfs/dbraw/zinc/37/13/85/1069371385.db2.gz UXHLFRKOBGQKOP-LEWJYISDSA-N 1 3 497.710 1.263 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001501901743 1069768294 /nfs/dbraw/zinc/76/82/94/1069768294.db2.gz YEUKZDRPGPIBJK-QFIPXVFZSA-N 1 3 451.685 1.829 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001501903986 1069777929 /nfs/dbraw/zinc/77/79/29/1069777929.db2.gz PYAIULKHHRCZEO-UHFFFAOYSA-N 1 3 498.676 1.486 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001501904162 1069780079 /nfs/dbraw/zinc/78/00/79/1069780079.db2.gz XADISVRWANZPIN-QFIPXVFZSA-N 1 3 485.681 1.789 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001501904155 1069780192 /nfs/dbraw/zinc/78/01/92/1069780192.db2.gz WWPCHCSYOFGGSN-HSZRJFAPSA-N 1 3 493.660 1.972 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001501910313 1069800361 /nfs/dbraw/zinc/80/03/61/1069800361.db2.gz RQHHZCPVFXOJKW-SANMLTNESA-N 1 3 499.660 1.223 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001501910313 1069800362 /nfs/dbraw/zinc/80/03/62/1069800362.db2.gz RQHHZCPVFXOJKW-SANMLTNESA-N 1 3 499.660 1.223 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001501910312 1069800487 /nfs/dbraw/zinc/80/04/87/1069800487.db2.gz RQHHZCPVFXOJKW-AREMUKBSSA-N 1 3 499.660 1.223 20 0 JDADHO CCN(CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001501910312 1069800489 /nfs/dbraw/zinc/80/04/89/1069800489.db2.gz RQHHZCPVFXOJKW-AREMUKBSSA-N 1 3 499.660 1.223 20 0 JDADHO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001501951716 1069806100 /nfs/dbraw/zinc/80/61/00/1069806100.db2.gz FNQGWIZZISUDJI-BVSLBCMMSA-N 1 3 488.681 1.340 20 0 JDADHO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001501951571 1069806109 /nfs/dbraw/zinc/80/61/09/1069806109.db2.gz BGXAOSOPNZRGHR-NFBKMPQASA-N 1 3 483.665 1.846 20 0 JDADHO CCN1CCN(Cc2ccccc2CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC001477250709 1069807680 /nfs/dbraw/zinc/80/76/80/1069807680.db2.gz SEWAKWXDQNWMML-UHFFFAOYSA-N 1 3 458.651 1.566 20 0 JDADHO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001501980669 1069810489 /nfs/dbraw/zinc/81/04/89/1069810489.db2.gz HGMFWBCJNKVFSD-RTWAWAEBSA-N 1 3 461.655 1.994 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](CC)C(C)C)C[C@H]1C ZINC001502199229 1069854183 /nfs/dbraw/zinc/85/41/83/1069854183.db2.gz GYDZCYJWUYOSCK-AABGKKOBSA-N 1 3 485.699 1.260 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](CC)C(C)C)C[C@H]1C ZINC001502199229 1069854184 /nfs/dbraw/zinc/85/41/84/1069854184.db2.gz GYDZCYJWUYOSCK-AABGKKOBSA-N 1 3 485.699 1.260 20 0 JDADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001502245001 1069917901 /nfs/dbraw/zinc/91/79/01/1069917901.db2.gz NRWJXLXRXFLPQT-MOPGFXCFSA-N 1 3 470.622 1.955 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC001502258148 1069957821 /nfs/dbraw/zinc/95/78/21/1069957821.db2.gz UURMBLGEHNCWHW-JPLJXNOCSA-N 1 3 483.683 1.013 20 0 JDADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC001502258148 1069957836 /nfs/dbraw/zinc/95/78/36/1069957836.db2.gz UURMBLGEHNCWHW-JPLJXNOCSA-N 1 3 483.683 1.013 20 0 JDADHO CC[NH+]1CCC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC001502266156 1069977529 /nfs/dbraw/zinc/97/75/29/1069977529.db2.gz HVYJKEUFXRSHED-CTNGQTDRSA-N 1 3 497.710 1.169 20 0 JDADHO CC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 ZINC001502281528 1070013272 /nfs/dbraw/zinc/01/32/72/1070013272.db2.gz JMRPAYDTTHDLIL-HKUYNNGSSA-N 1 3 453.657 1.437 20 0 JDADHO CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 ZINC001502281528 1070013289 /nfs/dbraw/zinc/01/32/89/1070013289.db2.gz JMRPAYDTTHDLIL-HKUYNNGSSA-N 1 3 453.657 1.437 20 0 JDADHO CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@H](C[NH+](CC)CC)C2)CC1 ZINC001502312907 1070085693 /nfs/dbraw/zinc/08/56/93/1070085693.db2.gz UYBHKLVPIZJXSY-LEWJYISDSA-N 1 3 455.655 1.929 20 0 JDADHO C[C@@H](O)CN1CCN(C(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC001479248391 1070112392 /nfs/dbraw/zinc/11/23/92/1070112392.db2.gz WQHHGEBSBCIKGT-VQTJNVASSA-N 1 3 455.644 1.806 20 0 JDADHO CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@@H](CC(C)C)[NH+](C)C)C2)CC1 ZINC001502334674 1070188443 /nfs/dbraw/zinc/18/84/43/1070188443.db2.gz NMLNTJWZDREIRN-NJDAHSKKSA-N 1 3 460.671 1.422 20 0 JDADHO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(CCOC)[C@@H](C)C2)CC1 ZINC001502343769 1070243851 /nfs/dbraw/zinc/24/38/51/1070243851.db2.gz UGLNGOVHXDGJMX-FDFHNCONSA-N 1 3 463.671 1.213 20 0 JDADHO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)CC1 ZINC001502349244 1070265913 /nfs/dbraw/zinc/26/59/13/1070265913.db2.gz QXXFHZSUVPVRRF-UPVQGACJSA-N 1 3 488.725 1.808 20 0 JDADHO CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC001502352990 1070278736 /nfs/dbraw/zinc/27/87/36/1070278736.db2.gz UPQBGNZNLOICCY-NRFANRHFSA-N 1 3 474.698 1.755 20 0 JDADHO CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC001502352990 1070278764 /nfs/dbraw/zinc/27/87/64/1070278764.db2.gz UPQBGNZNLOICCY-NRFANRHFSA-N 1 3 474.698 1.755 20 0 JDADHO C[C@H]1CCC[N@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001493804767 1070351593 /nfs/dbraw/zinc/35/15/93/1070351593.db2.gz IDFXYYNIKKAMBG-VQTJNVASSA-N 1 3 497.710 1.263 20 0 JDADHO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001493804767 1070351615 /nfs/dbraw/zinc/35/16/15/1070351615.db2.gz IDFXYYNIKKAMBG-VQTJNVASSA-N 1 3 497.710 1.263 20 0 JDADHO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001494054039 1070381737 /nfs/dbraw/zinc/38/17/37/1070381737.db2.gz AZORFXYSXDJUBR-LEWJYISDSA-N 1 3 497.710 1.169 20 0 JDADHO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001494054046 1070381816 /nfs/dbraw/zinc/38/18/16/1070381816.db2.gz AZORFXYSXDJUBR-SFTDATJTSA-N 1 3 497.710 1.169 20 0 JDADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001494054041 1070381944 /nfs/dbraw/zinc/38/19/44/1070381944.db2.gz AZORFXYSXDJUBR-NHCUHLMSSA-N 1 3 497.710 1.169 20 0 JDADHO CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@H]1CCCN1CCCO ZINC001494142241 1070438821 /nfs/dbraw/zinc/43/88/21/1070438821.db2.gz UJNVPXQCLUIVHQ-PZJWPPBQSA-N 1 3 461.655 1.574 20 0 JDADHO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@H]1CCCN1CCCO ZINC001494142241 1070438858 /nfs/dbraw/zinc/43/88/58/1070438858.db2.gz UJNVPXQCLUIVHQ-PZJWPPBQSA-N 1 3 461.655 1.574 20 0 JDADHO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001495675639 1070813382 /nfs/dbraw/zinc/81/33/82/1070813382.db2.gz CDHMSCDWYJSLQO-SFTDATJTSA-N 1 3 475.682 1.770 20 0 JDADHO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001503099211 1071045489 /nfs/dbraw/zinc/04/54/89/1071045489.db2.gz QIDXUFQGWASAPN-LEWJYISDSA-N 1 3 461.655 1.679 20 0 JDADHO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001503099910 1071048270 /nfs/dbraw/zinc/04/82/70/1071048270.db2.gz ZOGAFYACOPUGAV-HXUWFJFHSA-N 1 3 461.655 1.822 20 0 JDADHO CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001503109639 1071064118 /nfs/dbraw/zinc/06/41/18/1071064118.db2.gz NNHGHVZUFYVLNY-UNMCSNQZSA-N 1 3 491.681 1.447 20 0 JDADHO CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001503109639 1071064132 /nfs/dbraw/zinc/06/41/32/1071064132.db2.gz NNHGHVZUFYVLNY-UNMCSNQZSA-N 1 3 491.681 1.447 20 0 JDADHO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001503400515 1071661621 /nfs/dbraw/zinc/66/16/21/1071661621.db2.gz UVHMKMKGURHLTO-FQEVSTJZSA-N 1 3 482.695 1.317 20 0 JDADHO COCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001504820511 1071706342 /nfs/dbraw/zinc/70/63/42/1071706342.db2.gz OAKCWZHINUGERR-NRFANRHFSA-N 1 3 450.628 1.789 20 0 JDADHO COCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001504820511 1071706346 /nfs/dbraw/zinc/70/63/46/1071706346.db2.gz OAKCWZHINUGERR-NRFANRHFSA-N 1 3 450.628 1.789 20 0 JDADHO COCC[N@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504852173 1071753515 /nfs/dbraw/zinc/75/35/15/1071753515.db2.gz SLMUFVOFZAFNON-QFIPXVFZSA-N 1 3 469.634 1.656 20 0 JDADHO COCC[N@@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504852173 1071753535 /nfs/dbraw/zinc/75/35/35/1071753535.db2.gz SLMUFVOFZAFNON-QFIPXVFZSA-N 1 3 469.634 1.656 20 0 JDADHO COCC[N@H+](C)CCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001504852442 1071754818 /nfs/dbraw/zinc/75/48/18/1071754818.db2.gz RKSUZDUXHBCRLJ-TZIWHRDSSA-N 1 3 450.628 1.787 20 0 JDADHO COCC[N@@H+](C)CCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001504852442 1071754823 /nfs/dbraw/zinc/75/48/23/1071754823.db2.gz RKSUZDUXHBCRLJ-TZIWHRDSSA-N 1 3 450.628 1.787 20 0 JDADHO COCC[N@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001504853051 1071756775 /nfs/dbraw/zinc/75/67/75/1071756775.db2.gz ZBOQNTGPWDSCBV-LEWJYISDSA-N 1 3 464.655 1.830 20 0 JDADHO COCC[N@@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001504853051 1071756791 /nfs/dbraw/zinc/75/67/91/1071756791.db2.gz ZBOQNTGPWDSCBV-LEWJYISDSA-N 1 3 464.655 1.830 20 0 JDADHO COCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504857032 1071773988 /nfs/dbraw/zinc/77/39/88/1071773988.db2.gz IIAFARQXPMFCMU-HYBUGGRVSA-N 1 3 498.676 1.606 20 0 JDADHO COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001504857032 1071774001 /nfs/dbraw/zinc/77/40/01/1071774001.db2.gz IIAFARQXPMFCMU-HYBUGGRVSA-N 1 3 498.676 1.606 20 0 JDADHO COCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001504857547 1071777200 /nfs/dbraw/zinc/77/72/00/1071777200.db2.gz MRVNTVWWKNUKLR-QFIPXVFZSA-N 1 3 477.698 1.745 20 0 JDADHO CC(C)C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001468546511 1068310691 /nfs/dbraw/zinc/31/06/91/1068310691.db2.gz MTGQTTMEVKTMHL-ICSRJNTNSA-N 1 3 458.607 1.611 20 0 JDADHO CC(C)C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001468546512 1068311330 /nfs/dbraw/zinc/31/13/30/1068311330.db2.gz MTGQTTMEVKTMHL-QUCCMNQESA-N 1 3 458.607 1.611 20 0 JDADHO CCN1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)CN3CCN(c4ccccn4)CC3)CC2)CC1 ZINC001468950577 1068402788 /nfs/dbraw/zinc/40/27/88/1068402788.db2.gz CBKWYDACKUYUAH-QFIPXVFZSA-N 1 3 457.667 1.794 20 0 JDADHO CCN1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)CN3CCN(c4ccccn4)CC3)CC2)CC1 ZINC001468950577 1068402814 /nfs/dbraw/zinc/40/28/14/1068402814.db2.gz CBKWYDACKUYUAH-QFIPXVFZSA-N 1 3 457.667 1.794 20 0 JDADHO CCN1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)CN3CCN(c4ccccn4)CC3)CC2)CC1 ZINC001468950576 1068403220 /nfs/dbraw/zinc/40/32/20/1068403220.db2.gz CBKWYDACKUYUAH-JOCHJYFZSA-N 1 3 457.667 1.794 20 0 JDADHO CCN1CCC([N@H+]2CCCN(C(=O)N[C@H](C)CN3CCN(c4ccccn4)CC3)CC2)CC1 ZINC001468950576 1068403235 /nfs/dbraw/zinc/40/32/35/1068403235.db2.gz CBKWYDACKUYUAH-JOCHJYFZSA-N 1 3 457.667 1.794 20 0 JDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC001470771502 1068808517 /nfs/dbraw/zinc/80/85/17/1068808517.db2.gz IKEKIOJTZJAAMU-MAUKXSAKSA-N 1 3 454.413 1.904 20 0 JDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC001470771502 1068808523 /nfs/dbraw/zinc/80/85/23/1068808523.db2.gz IKEKIOJTZJAAMU-MAUKXSAKSA-N 1 3 454.413 1.904 20 0 JDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC001470771504 1068808672 /nfs/dbraw/zinc/80/86/72/1068808672.db2.gz IKEKIOJTZJAAMU-YJBOKZPZSA-N 1 3 454.413 1.904 20 0 JDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC001470771504 1068808673 /nfs/dbraw/zinc/80/86/73/1068808673.db2.gz IKEKIOJTZJAAMU-YJBOKZPZSA-N 1 3 454.413 1.904 20 0 JDADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001473207507 1069094899 /nfs/dbraw/zinc/09/48/99/1069094899.db2.gz UGMIHAFRXPKIAJ-OAQYLSRUSA-N 1 3 457.667 1.642 20 0 JDADHO Cc1ccc(CN2CCCN(C(=O)CN3CCC(C(N)=O)([NH+]4CCCCC4)CC3)CC2)cc1 ZINC001473755172 1069219665 /nfs/dbraw/zinc/21/96/65/1069219665.db2.gz MKCCSDSNXRFIGF-UHFFFAOYSA-N 1 3 455.647 1.835 20 0 JDADHO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCOCC2)CCN1CCOC ZINC001500260480 1069223888 /nfs/dbraw/zinc/22/38/88/1069223888.db2.gz YLASPIADNMFDFJ-OAQYLSRUSA-N 1 3 474.654 1.727 20 0 JDADHO CCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001500415813 1069248257 /nfs/dbraw/zinc/24/82/57/1069248257.db2.gz SAXJRHRLWMQXBH-OAQYLSRUSA-N 1 3 461.655 1.996 20 0 JDADHO CCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001500415813 1069248271 /nfs/dbraw/zinc/24/82/71/1069248271.db2.gz SAXJRHRLWMQXBH-OAQYLSRUSA-N 1 3 461.655 1.996 20 0 JDADHO CCCC[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001500419935 1069251298 /nfs/dbraw/zinc/25/12/98/1069251298.db2.gz MZAGWXTZUROQJT-JOCHJYFZSA-N 1 3 468.650 1.739 20 0 JDADHO CCCC[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001500419935 1069251313 /nfs/dbraw/zinc/25/13/13/1069251313.db2.gz MZAGWXTZUROQJT-JOCHJYFZSA-N 1 3 468.650 1.739 20 0 JDADHO CCC[N@H+](C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001500725612 1069305584 /nfs/dbraw/zinc/30/55/84/1069305584.db2.gz QCQHJASMAIJOKL-OAQYLSRUSA-N 1 3 474.698 1.595 20 0 JDADHO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001500725612 1069305603 /nfs/dbraw/zinc/30/56/03/1069305603.db2.gz QCQHJASMAIJOKL-OAQYLSRUSA-N 1 3 474.698 1.595 20 0 JDADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(Cc4cccnc4)n3CC[N@@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001508229683 1072993145 /nfs/dbraw/zinc/99/31/45/1072993145.db2.gz CEOIEEMYCWXZGW-URXFXBBRSA-N 1 3 482.677 1.983 20 0 JDADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(Cc4cccnc4)n3CC[N@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001508229683 1072993148 /nfs/dbraw/zinc/99/31/48/1072993148.db2.gz CEOIEEMYCWXZGW-URXFXBBRSA-N 1 3 482.677 1.983 20 0 JDADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccnc4)n3CCOCC[NH+](C)C)C[C@@H]2C)CC1 ZINC001508231272 1072996038 /nfs/dbraw/zinc/99/60/38/1072996038.db2.gz GIISFXBHJGGEFQ-REWPJTCUSA-N 1 3 484.649 1.297 20 0 JDADHO CC(C)c1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001509014089 1073477519 /nfs/dbraw/zinc/47/75/19/1073477519.db2.gz OGYSFGZQNAXLFD-HSZRJFAPSA-N 1 3 490.741 1.659 20 0 JDADHO CC(C)c1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001509014089 1073477531 /nfs/dbraw/zinc/47/75/31/1073477531.db2.gz OGYSFGZQNAXLFD-HSZRJFAPSA-N 1 3 490.741 1.659 20 0 JDADHO CC(C)C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)[NH+](C)C ZINC001509106511 1073502663 /nfs/dbraw/zinc/50/26/63/1073502663.db2.gz MEXVWCBVLIWZOX-UYAOXDASSA-N 1 3 485.699 1.166 20 0 JDADHO CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](C)C ZINC001509116556 1073506143 /nfs/dbraw/zinc/50/61/43/1073506143.db2.gz CRONZMXKRZOGOE-NJDAHSKKSA-N 1 3 461.655 1.849 20 0 JDADHO CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001509404119 1073580631 /nfs/dbraw/zinc/58/06/31/1073580631.db2.gz JYDUMWJXNPJACA-WOJBJXKFSA-N 1 3 469.700 1.788 20 0 JDADHO CC(C)[NH+](CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC001509550228 1073675253 /nfs/dbraw/zinc/67/52/53/1073675253.db2.gz WDAZMRISQJSZIP-LEWJYISDSA-N 1 3 461.655 1.644 20 0 JDADHO CC(C)[NH+]1CCC(O)(Cn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001509556225 1073680047 /nfs/dbraw/zinc/68/00/47/1073680047.db2.gz MFKMIYWLWYXIHK-UHFFFAOYSA-N 1 3 475.682 1.555 20 0 JDADHO CC(C)[NH+]1CCC(O)(Cn2c(CN3CCCC3=O)nnc2N2CCN(C(C)(C)C)CC2)CC1 ZINC001509558809 1073681806 /nfs/dbraw/zinc/68/18/06/1073681806.db2.gz XFQBTAFOFBWSIP-UHFFFAOYSA-N 1 3 461.655 1.556 20 0 JDADHO CC(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509566467 1073687465 /nfs/dbraw/zinc/68/74/65/1073687465.db2.gz VMARBWWODYFEAH-NRFANRHFSA-N 1 3 488.681 1.377 20 0 JDADHO CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509566467 1073687475 /nfs/dbraw/zinc/68/74/75/1073687475.db2.gz VMARBWWODYFEAH-NRFANRHFSA-N 1 3 488.681 1.377 20 0 JDADHO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1cccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164830665 720466852 /nfs/dbraw/zinc/46/68/52/720466852.db2.gz KQCLIEIRPMBIDI-LJQANCHMSA-N 1 3 455.607 1.195 20 0 JDADHO CC(C)N1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)CC[C@@H]21 ZINC001164839423 720507354 /nfs/dbraw/zinc/50/73/54/720507354.db2.gz UECDPTZAWXXVQQ-LQWHRVPQSA-N 1 3 473.647 1.143 20 0 JDADHO CC(C)N1[C@@H]2CCN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839424 720507434 /nfs/dbraw/zinc/50/74/34/720507434.db2.gz UECDPTZAWXXVQQ-LVCYWYKZSA-N 1 3 473.647 1.143 20 0 JDADHO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC2)C1 ZINC001164875621 721283367 /nfs/dbraw/zinc/28/33/67/721283367.db2.gz XXMZBBKAQNJVHR-UHFFFAOYSA-N 1 3 472.638 1.079 20 0 JDADHO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC2)C1 ZINC001164875621 721283374 /nfs/dbraw/zinc/28/33/74/721283374.db2.gz XXMZBBKAQNJVHR-UHFFFAOYSA-N 1 3 472.638 1.079 20 0 JDADHO O=S1(=O)Cc2cn(-c3ccc(CN4CCCC4)cn3)c(=NCC3CC3)nc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001164793647 721475279 /nfs/dbraw/zinc/47/52/79/721475279.db2.gz XFBOFLJJULPUCN-UXHICEINSA-N 1 3 454.600 1.158 20 0 JDADHO CN(Cc1ccc(-n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)nc1)C1CC1 ZINC001164793529 721475440 /nfs/dbraw/zinc/47/54/40/721475440.db2.gz WXZLBNXNIYVUHE-VQTJNVASSA-N 1 3 454.600 1.156 20 0 JDADHO