smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@H](C[NH3+])CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000420323724 559480494 /nfs/dbraw/zinc/48/04/94/559480494.db2.gz UPZNUJCLBBVEGV-LJQANCHMSA-N 2 3 361.530 2.314 20 0 FEADHP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCCN(CC(C)C)C2)CC[NH2+]CC1 ZINC000422991314 559614319 /nfs/dbraw/zinc/61/43/19/559614319.db2.gz AXEMVSVBMSLDQL-QZTJIDSGSA-N 2 3 353.551 2.265 20 0 FEADHP C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000617505721 676288635 /nfs/dbraw/zinc/28/86/35/676288635.db2.gz NNHIOEIZIIKSBE-ZWKOTPCHSA-N 2 3 352.567 2.029 20 0 FEADHP C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000617505721 676288637 /nfs/dbraw/zinc/28/86/37/676288637.db2.gz NNHIOEIZIIKSBE-ZWKOTPCHSA-N 2 3 352.567 2.029 20 0 FEADHP C[C@@H](C[NH+](C)CCCN(C)C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000617505721 676288639 /nfs/dbraw/zinc/28/86/39/676288639.db2.gz NNHIOEIZIIKSBE-ZWKOTPCHSA-N 2 3 352.567 2.029 20 0 FEADHP C[C@@H](C[NH+](C)CCCN(C)C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000617505721 676288641 /nfs/dbraw/zinc/28/86/41/676288641.db2.gz NNHIOEIZIIKSBE-ZWKOTPCHSA-N 2 3 352.567 2.029 20 0 FEADHP [NH3+]C1CCN(CCCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000433131929 559872769 /nfs/dbraw/zinc/87/27/69/559872769.db2.gz ATUNDSRHJSIQKI-KRWDZBQOSA-N 2 3 364.559 2.205 20 0 FEADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000443686825 560090472 /nfs/dbraw/zinc/09/04/72/560090472.db2.gz WFELAGWUASVCAN-ZWKOTPCHSA-N 2 3 369.598 2.020 20 0 FEADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000443686825 560090473 /nfs/dbraw/zinc/09/04/73/560090473.db2.gz WFELAGWUASVCAN-ZWKOTPCHSA-N 2 3 369.598 2.020 20 0 FEADHP CCN1CCN(c2ccccc2C[NH+]2CCC(OCCC[NH3+])CC2)CC1 ZINC000469857883 560966927 /nfs/dbraw/zinc/96/69/27/560966927.db2.gz YPAHNDGSICMZBW-UHFFFAOYSA-N 2 3 360.546 2.158 20 0 FEADHP FC1(F)CCNC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000903955222 690988923 /nfs/dbraw/zinc/98/89/23/690988923.db2.gz NHJPMRNBCBPFSR-KRWDZBQOSA-N 2 3 353.457 2.496 20 0 FEADHP C(CN1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)CN1C[C@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363415617 555099958 /nfs/dbraw/zinc/09/99/58/555099958.db2.gz XOVJZURIRCPHCL-NCKLTAKHSA-N 2 3 372.601 2.209 20 0 FEADHP C(CN1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)CN1C[C@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363415617 555099960 /nfs/dbraw/zinc/09/99/60/555099960.db2.gz XOVJZURIRCPHCL-NCKLTAKHSA-N 2 3 372.601 2.209 20 0 FEADHP C(CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)CN1C[C@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363415617 555099962 /nfs/dbraw/zinc/09/99/62/555099962.db2.gz XOVJZURIRCPHCL-NCKLTAKHSA-N 2 3 372.601 2.209 20 0 FEADHP C(CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)CN1C[C@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363415617 555099964 /nfs/dbraw/zinc/09/99/64/555099964.db2.gz XOVJZURIRCPHCL-NCKLTAKHSA-N 2 3 372.601 2.209 20 0 FEADHP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1)CC1CC1 ZINC000414745622 559184213 /nfs/dbraw/zinc/18/42/13/559184213.db2.gz PSVJTTMPKFJUAE-FQEVSTJZSA-N 2 3 364.578 2.018 20 0 FEADHP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1)CC1CC1 ZINC000414745622 559184214 /nfs/dbraw/zinc/18/42/14/559184214.db2.gz PSVJTTMPKFJUAE-FQEVSTJZSA-N 2 3 364.578 2.018 20 0 FEADHP c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCCN4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423193798 559622478 /nfs/dbraw/zinc/62/24/78/559622478.db2.gz XBBOUYMOLNTGDF-FDFHNCONSA-N 2 3 356.558 2.172 20 0 FEADHP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414719562 559181979 /nfs/dbraw/zinc/18/19/79/559181979.db2.gz YVHCOPSWDWYCBM-LJQANCHMSA-N 2 3 352.567 2.018 20 0 FEADHP CCN1CCN(CCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422857814 559608817 /nfs/dbraw/zinc/60/88/17/559608817.db2.gz HZOSUXQSPYDJHG-RBBKRZOGSA-N 2 3 372.557 2.250 20 0 FEADHP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)CC[NH2+]CC1 ZINC000596654616 673401258 /nfs/dbraw/zinc/40/12/58/673401258.db2.gz KPKNQRZMLGNYFM-SJLPKXTDSA-N 2 3 351.535 2.019 20 0 FEADHP CCOC(=O)C1([C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)CC[NH2+]CC1 ZINC000422841350 559608079 /nfs/dbraw/zinc/60/80/79/559608079.db2.gz VUNJKTFVOKXYOF-INIZCTEOSA-N 2 3 351.535 2.304 20 0 FEADHP CCOC(=O)C1([C@H](C)NC2CC[NH+](C3CCCC3)CC2)CC[NH2+]CC1 ZINC000422841350 559608080 /nfs/dbraw/zinc/60/80/80/559608080.db2.gz VUNJKTFVOKXYOF-INIZCTEOSA-N 2 3 351.535 2.304 20 0 FEADHP CCCN1CCN(c2ccccc2C[NH2+]CC2(COC)CC[NH2+]CC2)CC1 ZINC000414978011 559198500 /nfs/dbraw/zinc/19/85/00/559198500.db2.gz SAOAWNBYOAREIB-UHFFFAOYSA-N 2 3 374.573 2.324 20 0 FEADHP CCOC(=O)C1([C@H](C)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000422886357 559609776 /nfs/dbraw/zinc/60/97/76/559609776.db2.gz WLMUPZKCZVQBQE-KSZLIROESA-N 2 3 353.551 2.265 20 0 FEADHP CCOC(=O)C1([C@H](C)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000422886357 559609777 /nfs/dbraw/zinc/60/97/77/559609777.db2.gz WLMUPZKCZVQBQE-KSZLIROESA-N 2 3 353.551 2.265 20 0 FEADHP C[NH2+]CC1CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000430954916 559831421 /nfs/dbraw/zinc/83/14/21/559831421.db2.gz YFCITDRITDOATI-GOSISDBHSA-N 2 3 372.557 2.087 20 0 FEADHP CCN1CCN(CCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422857813 559608838 /nfs/dbraw/zinc/60/88/38/559608838.db2.gz HZOSUXQSPYDJHG-IRLDBZIGSA-N 2 3 372.557 2.250 20 0 FEADHP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430915030 559830184 /nfs/dbraw/zinc/83/01/84/559830184.db2.gz BIORVPQHBTZJCB-ZWKOTPCHSA-N 2 3 372.557 2.215 20 0 FEADHP CC[NH+](CC)CCCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566806250 675244241 /nfs/dbraw/zinc/24/42/41/675244241.db2.gz YTTIBBIFFCAENX-UHFFFAOYSA-N 2 3 352.567 2.031 20 0 FEADHP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC3CC[NH+](C4CC4)CC3)c2)C1 ZINC000298584861 553444563 /nfs/dbraw/zinc/44/45/63/553444563.db2.gz YAHSMCPBIVEKSW-IBGZPJMESA-N 2 3 370.541 2.100 20 0 FEADHP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC3CC[NH+](C4CC4)CC3)c2)C1 ZINC000298584861 553444566 /nfs/dbraw/zinc/44/45/66/553444566.db2.gz YAHSMCPBIVEKSW-IBGZPJMESA-N 2 3 370.541 2.100 20 0 FEADHP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC3CC[NH+](C4CC4)CC3)c2)C1 ZINC000298584868 553444715 /nfs/dbraw/zinc/44/47/15/553444715.db2.gz YAHSMCPBIVEKSW-LJQANCHMSA-N 2 3 370.541 2.100 20 0 FEADHP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC3CC[NH+](C4CC4)CC3)c2)C1 ZINC000298584868 553444717 /nfs/dbraw/zinc/44/47/17/553444717.db2.gz YAHSMCPBIVEKSW-LJQANCHMSA-N 2 3 370.541 2.100 20 0 FEADHP C[N@H+](CCOc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1)C1CCOCC1 ZINC000422715283 559604116 /nfs/dbraw/zinc/60/41/16/559604116.db2.gz RYPFTKPYXJJNAW-RXVVDRJESA-N 2 3 361.530 2.393 20 0 FEADHP C[N@@H+](CCOc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1)C1CCOCC1 ZINC000422715283 559604117 /nfs/dbraw/zinc/60/41/17/559604117.db2.gz RYPFTKPYXJJNAW-RXVVDRJESA-N 2 3 361.530 2.393 20 0 FEADHP [NH3+]C1CCN(CCCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000433131930 559872841 /nfs/dbraw/zinc/87/28/41/559872841.db2.gz ATUNDSRHJSIQKI-QGZVFWFLSA-N 2 3 364.559 2.205 20 0 FEADHP CC(C)N1CCC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000156964443 545684039 /nfs/dbraw/zinc/68/40/39/545684039.db2.gz JTIYCFPMTITRKN-HXUWFJFHSA-N 2 3 372.557 2.346 20 0 FEADHP CC(C)N1CCC([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000156964443 545684042 /nfs/dbraw/zinc/68/40/42/545684042.db2.gz JTIYCFPMTITRKN-HXUWFJFHSA-N 2 3 372.557 2.346 20 0 FEADHP C[NH+](C)CCOc1ccccc1N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000479686857 561195075 /nfs/dbraw/zinc/19/50/75/561195075.db2.gz MNFFCVZHEWWZEN-UHFFFAOYSA-N 2 3 360.546 2.139 20 0 FEADHP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC[NH2+]CC1 ZINC000596654617 673401363 /nfs/dbraw/zinc/40/13/63/673401363.db2.gz KPKNQRZMLGNYFM-WMZOPIPTSA-N 2 3 351.535 2.019 20 0 FEADHP Cc1nc(N(C)C[C@H]2CCC[N@H+](C)C2)cc(N(C)C[C@@H]2CCC[NH+](C)C2)n1 ZINC000532781495 562488824 /nfs/dbraw/zinc/48/88/24/562488824.db2.gz YRHBATGWQVIIID-KDURUIRLSA-N 2 3 374.577 2.341 20 0 FEADHP Cc1nc(N(C)C[C@H]2CCC[N@@H+](C)C2)cc(N(C)C[C@@H]2CCC[NH+](C)C2)n1 ZINC000532781495 562488825 /nfs/dbraw/zinc/48/88/25/562488825.db2.gz YRHBATGWQVIIID-KDURUIRLSA-N 2 3 374.577 2.341 20 0 FEADHP Cc1nc(N(C)C[C@H]2CCC[NH+](C)C2)cc(N(C)C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000532781495 562488826 /nfs/dbraw/zinc/48/88/26/562488826.db2.gz YRHBATGWQVIIID-KDURUIRLSA-N 2 3 374.577 2.341 20 0 FEADHP Cc1nc(N(C)C[C@H]2CCC[NH+](C)C2)cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000532781495 562488827 /nfs/dbraw/zinc/48/88/27/562488827.db2.gz YRHBATGWQVIIID-KDURUIRLSA-N 2 3 374.577 2.341 20 0 FEADHP CCCN(CCC[NH+](C)C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000519643893 562138329 /nfs/dbraw/zinc/13/83/29/562138329.db2.gz HUNUEEJWXOFRCB-UHFFFAOYSA-N 2 3 366.594 2.373 20 0 FEADHP CN1CCCC(C)(C)[C@@H]1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000448261942 560182318 /nfs/dbraw/zinc/18/23/18/560182318.db2.gz SNGRKWXFGRRMNW-SFHVURJKSA-N 2 3 369.598 2.022 20 0 FEADHP NCC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000415088710 559204515 /nfs/dbraw/zinc/20/45/15/559204515.db2.gz MFPQKZBJGIGIEU-LJQANCHMSA-N 2 3 372.557 2.350 20 0 FEADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)CC2)cc1 ZINC000422778636 559606415 /nfs/dbraw/zinc/60/64/15/559606415.db2.gz HNJOCJIAEFZJBZ-ZLGUVYLKSA-N 2 3 361.530 2.249 20 0 FEADHP [NH3+]CC1CCC([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000422910433 559611029 /nfs/dbraw/zinc/61/10/29/559611029.db2.gz IGLIGGDGWOZQSP-UHFFFAOYSA-N 2 3 358.530 2.119 20 0 FEADHP CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000155564477 326793678 /nfs/dbraw/zinc/79/36/78/326793678.db2.gz BDFBWOIADYEAHL-OALUTQOASA-N 2 3 362.562 2.304 20 0 FEADHP c1ccc(CCN2CCC([NH2+]C3CCC([NH+]4CCNCC4)CC3)CC2)cc1 ZINC000415049974 559202646 /nfs/dbraw/zinc/20/26/46/559202646.db2.gz HZTBHSSDLPWQFO-UHFFFAOYSA-N 2 3 370.585 2.500 20 0 FEADHP c1ccc(CCN2CCC([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)CC2)cc1 ZINC000415049974 559202647 /nfs/dbraw/zinc/20/26/47/559202647.db2.gz HZTBHSSDLPWQFO-UHFFFAOYSA-N 2 3 370.585 2.500 20 0 FEADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)N)CC2)cc1 ZINC000422778634 559606291 /nfs/dbraw/zinc/60/62/91/559606291.db2.gz HNJOCJIAEFZJBZ-ORYQWCPZSA-N 2 3 361.530 2.249 20 0 FEADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000443686823 560090394 /nfs/dbraw/zinc/09/03/94/560090394.db2.gz WFELAGWUASVCAN-QZTJIDSGSA-N 2 3 369.598 2.020 20 0 FEADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000443686823 560090395 /nfs/dbraw/zinc/09/03/95/560090395.db2.gz WFELAGWUASVCAN-QZTJIDSGSA-N 2 3 369.598 2.020 20 0 FEADHP CC[NH+]1CCC(N2CCC(C(=O)NCCC[N@H+](C)C(C)C)CC2)CC1 ZINC000582071133 671965114 /nfs/dbraw/zinc/96/51/14/671965114.db2.gz IJPDBIJRPXCIFB-UHFFFAOYSA-N 2 3 352.567 2.029 20 0 FEADHP CC[NH+]1CCC(N2CCC(C(=O)NCCC[N@@H+](C)C(C)C)CC2)CC1 ZINC000582071133 671965117 /nfs/dbraw/zinc/96/51/17/671965117.db2.gz IJPDBIJRPXCIFB-UHFFFAOYSA-N 2 3 352.567 2.029 20 0 FEADHP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415127599 559206823 /nfs/dbraw/zinc/20/68/23/559206823.db2.gz WCOBYQFNVRCFMT-RBUKOAKNSA-N 2 3 372.557 2.348 20 0 FEADHP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415127599 559206824 /nfs/dbraw/zinc/20/68/24/559206824.db2.gz WCOBYQFNVRCFMT-RBUKOAKNSA-N 2 3 372.557 2.348 20 0 FEADHP CCOC(=O)C1([C@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)CC[NH2+]CC1 ZINC000422984295 559613987 /nfs/dbraw/zinc/61/39/87/559613987.db2.gz AGVSHARFMUSFRL-KRWDZBQOSA-N 2 3 374.529 2.209 20 0 FEADHP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCN(CC(C)C)C2)CC[NH2+]CC1 ZINC000422991316 559614356 /nfs/dbraw/zinc/61/43/56/559614356.db2.gz AXEMVSVBMSLDQL-ZWKOTPCHSA-N 2 3 353.551 2.265 20 0 FEADHP CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000155564591 326793674 /nfs/dbraw/zinc/79/36/74/326793674.db2.gz BDFBWOIADYEAHL-MOPGFXCFSA-N 2 3 362.562 2.304 20 0 FEADHP C[C@@H]1C[C@H](CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)CC[NH2+]1 ZINC000414744779 559184267 /nfs/dbraw/zinc/18/42/67/559184267.db2.gz QBAKQXOUFBNNLM-RTBURBONSA-N 2 3 360.546 2.137 20 0 FEADHP C[N@H+](CCOc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1)C1CCOCC1 ZINC000422715281 559604105 /nfs/dbraw/zinc/60/41/05/559604105.db2.gz RYPFTKPYXJJNAW-GHTZIAJQSA-N 2 3 361.530 2.393 20 0 FEADHP C[N@@H+](CCOc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1)C1CCOCC1 ZINC000422715281 559604106 /nfs/dbraw/zinc/60/41/06/559604106.db2.gz RYPFTKPYXJJNAW-GHTZIAJQSA-N 2 3 361.530 2.393 20 0 FEADHP CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000155564821 326793602 /nfs/dbraw/zinc/79/36/02/326793602.db2.gz BDFBWOIADYEAHL-RTBURBONSA-N 2 3 362.562 2.304 20 0 FEADHP CCOC(=O)C1([C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)CC[NH2+]CC1 ZINC000422841352 559608163 /nfs/dbraw/zinc/60/81/63/559608163.db2.gz VUNJKTFVOKXYOF-MRXNPFEDSA-N 2 3 351.535 2.304 20 0 FEADHP CCOC(=O)C1([C@@H](C)NC2CC[NH+](C3CCCC3)CC2)CC[NH2+]CC1 ZINC000422841352 559608164 /nfs/dbraw/zinc/60/81/64/559608164.db2.gz VUNJKTFVOKXYOF-MRXNPFEDSA-N 2 3 351.535 2.304 20 0 FEADHP CC(CN1CC[C@@H](C[NH+]2CCCC2)C1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000533425047 562508190 /nfs/dbraw/zinc/50/81/90/562508190.db2.gz JNKGSJYSERMLDA-VXKWHMMOSA-N 2 3 362.606 2.458 20 0 FEADHP C(CN1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)CN1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@@H]2C1 ZINC000363415618 555099916 /nfs/dbraw/zinc/09/99/16/555099916.db2.gz XOVJZURIRCPHCL-PYYGYTMVSA-N 2 3 372.601 2.209 20 0 FEADHP C(CN1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)CN1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@@H]2C1 ZINC000363415618 555099918 /nfs/dbraw/zinc/09/99/18/555099918.db2.gz XOVJZURIRCPHCL-PYYGYTMVSA-N 2 3 372.601 2.209 20 0 FEADHP C(CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)CN1C[C@@H]2[C@H]3CCCC[NH+]3C[C@@H]2C1 ZINC000363415618 555099919 /nfs/dbraw/zinc/09/99/19/555099919.db2.gz XOVJZURIRCPHCL-PYYGYTMVSA-N 2 3 372.601 2.209 20 0 FEADHP C(CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)CN1C[C@@H]2[C@H]3CCCC[NH+]3C[C@@H]2C1 ZINC000363415618 555099921 /nfs/dbraw/zinc/09/99/21/555099921.db2.gz XOVJZURIRCPHCL-PYYGYTMVSA-N 2 3 372.601 2.209 20 0 FEADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000443686822 560090439 /nfs/dbraw/zinc/09/04/39/560090439.db2.gz WFELAGWUASVCAN-MSOLQXFVSA-N 2 3 369.598 2.020 20 0 FEADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000443686822 560090440 /nfs/dbraw/zinc/09/04/40/560090440.db2.gz WFELAGWUASVCAN-MSOLQXFVSA-N 2 3 369.598 2.020 20 0 FEADHP CC[NH+](C)C[C@H]1CCN(c2cc(N3CC[C@@H](C[N@@H+](C)CC)C3)nc(C)n2)C1 ZINC000532444741 562478419 /nfs/dbraw/zinc/47/84/19/562478419.db2.gz PKKWSJPBGLLUFJ-KDURUIRLSA-N 2 3 374.577 2.341 20 0 FEADHP CC[NH+](C)C[C@H]1CCN(c2cc(N3CC[C@@H](C[N@H+](C)CC)C3)nc(C)n2)C1 ZINC000532444741 562478420 /nfs/dbraw/zinc/47/84/20/562478420.db2.gz PKKWSJPBGLLUFJ-KDURUIRLSA-N 2 3 374.577 2.341 20 0 FEADHP CC[NH+](C)C[C@@H]1CCN(c2cc(N3CC[C@H](C[N@H+](C)CC)C3)nc(C)n2)C1 ZINC000532444741 562478421 /nfs/dbraw/zinc/47/84/21/562478421.db2.gz PKKWSJPBGLLUFJ-KDURUIRLSA-N 2 3 374.577 2.341 20 0 FEADHP CC[NH+](C)C[C@@H]1CCN(c2cc(N3CC[C@H](C[N@@H+](C)CC)C3)nc(C)n2)C1 ZINC000532444741 562478422 /nfs/dbraw/zinc/47/84/22/562478422.db2.gz PKKWSJPBGLLUFJ-KDURUIRLSA-N 2 3 374.577 2.341 20 0 FEADHP C(CN1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)CN1C[C@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363415620 555099783 /nfs/dbraw/zinc/09/97/83/555099783.db2.gz XOVJZURIRCPHCL-YPEXMJEGSA-N 2 3 372.601 2.209 20 0 FEADHP C(CN1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)CN1C[C@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363415620 555099786 /nfs/dbraw/zinc/09/97/86/555099786.db2.gz XOVJZURIRCPHCL-YPEXMJEGSA-N 2 3 372.601 2.209 20 0 FEADHP C(CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)CN1C[C@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363415620 555099788 /nfs/dbraw/zinc/09/97/88/555099788.db2.gz XOVJZURIRCPHCL-YPEXMJEGSA-N 2 3 372.601 2.209 20 0 FEADHP C(CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)CN1C[C@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363415620 555099791 /nfs/dbraw/zinc/09/97/91/555099791.db2.gz XOVJZURIRCPHCL-YPEXMJEGSA-N 2 3 372.601 2.209 20 0 FEADHP COc1ccc([C@@H](C[NH3+])CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000420323723 559480502 /nfs/dbraw/zinc/48/05/02/559480502.db2.gz UPZNUJCLBBVEGV-IBGZPJMESA-N 2 3 361.530 2.314 20 0 FEADHP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCCN(CC(C)C)C2)CC[NH2+]CC1 ZINC000422991313 559614259 /nfs/dbraw/zinc/61/42/59/559614259.db2.gz AXEMVSVBMSLDQL-MSOLQXFVSA-N 2 3 353.551 2.265 20 0 FEADHP CCN1CCN(CCC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000268798957 550117535 /nfs/dbraw/zinc/11/75/35/550117535.db2.gz HCEAQHRIZAUQOX-LJQANCHMSA-N 2 3 362.562 2.305 20 0 FEADHP CCOC(=O)C1([C@@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)CC[NH2+]CC1 ZINC000422984296 559614024 /nfs/dbraw/zinc/61/40/24/559614024.db2.gz AGVSHARFMUSFRL-QGZVFWFLSA-N 2 3 374.529 2.209 20 0 FEADHP CCOC(=O)C1([C@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)CC[NH2+]CC1 ZINC000423533721 559631348 /nfs/dbraw/zinc/63/13/48/559631348.db2.gz YHENZGOBASNVRX-XJDHANQYSA-N 2 3 363.546 2.051 20 0 FEADHP CCOC(=O)C1([C@H](C)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[NH2+]CC1 ZINC000423533721 559631349 /nfs/dbraw/zinc/63/13/49/559631349.db2.gz YHENZGOBASNVRX-XJDHANQYSA-N 2 3 363.546 2.051 20 0 FEADHP C[NH+](C)[C@@H](CNC(=O)CN1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000366879476 555958546 /nfs/dbraw/zinc/95/85/46/555958546.db2.gz HDHIVQIKNQMTMH-FQEVSTJZSA-N 2 3 372.557 2.213 20 0 FEADHP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCN(CC(C)C)C2)CC[NH2+]CC1 ZINC000422991315 559614239 /nfs/dbraw/zinc/61/42/39/559614239.db2.gz AXEMVSVBMSLDQL-ROUUACIJSA-N 2 3 353.551 2.265 20 0 FEADHP C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000617505720 676289055 /nfs/dbraw/zinc/28/90/55/676289055.db2.gz NNHIOEIZIIKSBE-ROUUACIJSA-N 2 3 352.567 2.029 20 0 FEADHP C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000617505720 676289057 /nfs/dbraw/zinc/28/90/57/676289057.db2.gz NNHIOEIZIIKSBE-ROUUACIJSA-N 2 3 352.567 2.029 20 0 FEADHP C[C@@H](C[NH+](C)CCCN(C)C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000617505720 676289059 /nfs/dbraw/zinc/28/90/59/676289059.db2.gz NNHIOEIZIIKSBE-ROUUACIJSA-N 2 3 352.567 2.029 20 0 FEADHP C[C@@H](C[NH+](C)CCCN(C)C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000617505720 676289060 /nfs/dbraw/zinc/28/90/60/676289060.db2.gz NNHIOEIZIIKSBE-ROUUACIJSA-N 2 3 352.567 2.029 20 0 FEADHP NCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000415088707 559204482 /nfs/dbraw/zinc/20/44/82/559204482.db2.gz MFPQKZBJGIGIEU-IBGZPJMESA-N 2 3 372.557 2.350 20 0 FEADHP CCOC(=O)C1([C@H](C)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[NH2+]CC1 ZINC000422886358 559609765 /nfs/dbraw/zinc/60/97/65/559609765.db2.gz WLMUPZKCZVQBQE-KURKYZTESA-N 2 3 353.551 2.265 20 0 FEADHP CC[C@H](CNC(=O)CCCN1CCC([NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000433156120 330273610 /nfs/dbraw/zinc/27/36/10/330273610.db2.gz AATNLKJANRXOTP-OAQYLSRUSA-N 2 3 372.557 2.143 20 0 FEADHP CC[C@H](CNC(=O)CCCN1CCC([NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000433156120 330273611 /nfs/dbraw/zinc/27/36/11/330273611.db2.gz AATNLKJANRXOTP-OAQYLSRUSA-N 2 3 372.557 2.143 20 0 FEADHP c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCN4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423193796 559622489 /nfs/dbraw/zinc/62/24/89/559622489.db2.gz XBBOUYMOLNTGDF-BDTNDASRSA-N 2 3 356.558 2.172 20 0 FEADHP c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCCN4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423193797 559622536 /nfs/dbraw/zinc/62/25/36/559622536.db2.gz XBBOUYMOLNTGDF-BHDDXSALSA-N 2 3 356.558 2.172 20 0 FEADHP CC(C)(CNC(=O)CCCN1CCC([NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000433137312 330272416 /nfs/dbraw/zinc/27/24/16/330272416.db2.gz SRCONYNWASNTFX-UHFFFAOYSA-N 2 3 372.557 2.143 20 0 FEADHP CC(C)(CNC(=O)CCCN1CCC([NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000433137312 330272417 /nfs/dbraw/zinc/27/24/17/330272417.db2.gz SRCONYNWASNTFX-UHFFFAOYSA-N 2 3 372.557 2.143 20 0 FEADHP C[C@H]1C[C@H](CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)CC[NH2+]1 ZINC000414744777 559184362 /nfs/dbraw/zinc/18/43/62/559184362.db2.gz QBAKQXOUFBNNLM-RBUKOAKNSA-N 2 3 360.546 2.137 20 0 FEADHP CC[N@H+](CCC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1)CC1CC1 ZINC000414745623 559184369 /nfs/dbraw/zinc/18/43/69/559184369.db2.gz PSVJTTMPKFJUAE-HXUWFJFHSA-N 2 3 364.578 2.018 20 0 FEADHP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1)CC1CC1 ZINC000414745623 559184370 /nfs/dbraw/zinc/18/43/70/559184370.db2.gz PSVJTTMPKFJUAE-HXUWFJFHSA-N 2 3 364.578 2.018 20 0 FEADHP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414719560 559181944 /nfs/dbraw/zinc/18/19/44/559181944.db2.gz YVHCOPSWDWYCBM-IBGZPJMESA-N 2 3 352.567 2.018 20 0 FEADHP CN1CCCC(C)(C)[C@H]1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000448261941 560182491 /nfs/dbraw/zinc/18/24/91/560182491.db2.gz SNGRKWXFGRRMNW-GOSISDBHSA-N 2 3 369.598 2.022 20 0 FEADHP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414691154 559180031 /nfs/dbraw/zinc/18/00/31/559180031.db2.gz JCAYPZQCTPBDCK-OAQYLSRUSA-N 2 3 372.557 2.028 20 0 FEADHP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414691154 559180032 /nfs/dbraw/zinc/18/00/32/559180032.db2.gz JCAYPZQCTPBDCK-OAQYLSRUSA-N 2 3 372.557 2.028 20 0 FEADHP CC(C)N1CCC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000156964282 545682767 /nfs/dbraw/zinc/68/27/67/545682767.db2.gz JTIYCFPMTITRKN-FQEVSTJZSA-N 2 3 372.557 2.346 20 0 FEADHP CC(C)N1CCC([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000156964282 545682774 /nfs/dbraw/zinc/68/27/74/545682774.db2.gz JTIYCFPMTITRKN-FQEVSTJZSA-N 2 3 372.557 2.346 20 0 FEADHP [NH3+]C1(CNC2CC[NH+](CC3CC3)CC2)CCN(Cc2ccccc2)CC1 ZINC000517017909 562071531 /nfs/dbraw/zinc/07/15/31/562071531.db2.gz LUNQIVOYJVERIX-UHFFFAOYSA-N 2 3 356.558 2.444 20 0 FEADHP CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000519619856 562137223 /nfs/dbraw/zinc/13/72/23/562137223.db2.gz XITWHBODKSFBMA-QUCCMNQESA-N 2 3 364.578 2.172 20 0 FEADHP CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000519619855 562137348 /nfs/dbraw/zinc/13/73/48/562137348.db2.gz XITWHBODKSFBMA-ICSRJNTNSA-N 2 3 364.578 2.172 20 0 FEADHP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415127600 559206696 /nfs/dbraw/zinc/20/66/96/559206696.db2.gz WCOBYQFNVRCFMT-RTBURBONSA-N 2 3 372.557 2.348 20 0 FEADHP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415127600 559206697 /nfs/dbraw/zinc/20/66/97/559206697.db2.gz WCOBYQFNVRCFMT-RTBURBONSA-N 2 3 372.557 2.348 20 0 FEADHP C[NH2+]CC1CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000430954917 559831447 /nfs/dbraw/zinc/83/14/47/559831447.db2.gz YFCITDRITDOATI-SFHVURJKSA-N 2 3 372.557 2.087 20 0 FEADHP CN1CCC[C@H]1CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000131136050 544178265 /nfs/dbraw/zinc/17/82/65/544178265.db2.gz RCNAJTZGGVAKIJ-FQEVSTJZSA-N 2 3 364.578 2.175 20 0 FEADHP CCCN1CCC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000156884633 545673938 /nfs/dbraw/zinc/67/39/38/545673938.db2.gz RKGRAOBQKJUZJC-HXUWFJFHSA-N 2 3 372.557 2.348 20 0 FEADHP CCCN1CCC([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000156884633 545673943 /nfs/dbraw/zinc/67/39/43/545673943.db2.gz RKGRAOBQKJUZJC-HXUWFJFHSA-N 2 3 372.557 2.348 20 0 FEADHP CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000268805805 550118190 /nfs/dbraw/zinc/11/81/90/550118190.db2.gz JFJXNAOJRHDZJI-IBGZPJMESA-N 2 3 362.562 2.305 20 0 FEADHP CCOC(=O)C1([C@@H](C)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000422886356 559609853 /nfs/dbraw/zinc/60/98/53/559609853.db2.gz WLMUPZKCZVQBQE-FGTMMUONSA-N 2 3 353.551 2.265 20 0 FEADHP CCOC(=O)C1([C@@H](C)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000422886356 559609854 /nfs/dbraw/zinc/60/98/54/559609854.db2.gz WLMUPZKCZVQBQE-FGTMMUONSA-N 2 3 353.551 2.265 20 0 FEADHP CC[C@@H](CNC(=O)CCCN1CCC([NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000433156119 330273511 /nfs/dbraw/zinc/27/35/11/330273511.db2.gz AATNLKJANRXOTP-NRFANRHFSA-N 2 3 372.557 2.143 20 0 FEADHP CC[C@@H](CNC(=O)CCCN1CCC([NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000433156119 330273513 /nfs/dbraw/zinc/27/35/13/330273513.db2.gz AATNLKJANRXOTP-NRFANRHFSA-N 2 3 372.557 2.143 20 0 FEADHP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414691151 559180069 /nfs/dbraw/zinc/18/00/69/559180069.db2.gz JCAYPZQCTPBDCK-NRFANRHFSA-N 2 3 372.557 2.028 20 0 FEADHP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414691151 559180071 /nfs/dbraw/zinc/18/00/71/559180071.db2.gz JCAYPZQCTPBDCK-NRFANRHFSA-N 2 3 372.557 2.028 20 0 FEADHP Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000443071365 560069114 /nfs/dbraw/zinc/06/91/14/560069114.db2.gz MEJMPUPQIUSZST-FQEVSTJZSA-N 2 3 372.557 2.090 20 0 FEADHP Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000443071365 560069116 /nfs/dbraw/zinc/06/91/16/560069116.db2.gz MEJMPUPQIUSZST-FQEVSTJZSA-N 2 3 372.557 2.090 20 0 FEADHP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000502690838 561623454 /nfs/dbraw/zinc/62/34/54/561623454.db2.gz XBNYNYWCZOJAFK-IBGZPJMESA-N 2 3 352.567 2.031 20 0 FEADHP CCOC(=O)C1([C@H](C)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000422886355 559609806 /nfs/dbraw/zinc/60/98/06/559609806.db2.gz WLMUPZKCZVQBQE-BZSNNMDCSA-N 2 3 353.551 2.265 20 0 FEADHP c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCN4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423193799 559622561 /nfs/dbraw/zinc/62/25/61/559622561.db2.gz XBBOUYMOLNTGDF-FKBYEOEOSA-N 2 3 356.558 2.172 20 0 FEADHP CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000131135831 544178276 /nfs/dbraw/zinc/17/82/76/544178276.db2.gz RCNAJTZGGVAKIJ-HXUWFJFHSA-N 2 3 364.578 2.175 20 0 FEADHP CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000155619686 326796686 /nfs/dbraw/zinc/79/66/86/326796686.db2.gz AKLZETRZYIVIAX-MOPGFXCFSA-N 2 3 362.562 2.304 20 0 FEADHP C[N@H+](CCOc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1)C1CCOCC1 ZINC000422715284 559604184 /nfs/dbraw/zinc/60/41/84/559604184.db2.gz RYPFTKPYXJJNAW-WIYYLYMNSA-N 2 3 361.530 2.393 20 0 FEADHP C[N@@H+](CCOc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1)C1CCOCC1 ZINC000422715284 559604185 /nfs/dbraw/zinc/60/41/85/559604185.db2.gz RYPFTKPYXJJNAW-WIYYLYMNSA-N 2 3 361.530 2.393 20 0 FEADHP COCC1(C[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CC[NH2+]CC1 ZINC000414967677 559197679 /nfs/dbraw/zinc/19/76/79/559197679.db2.gz DDTZMLULNHJGNG-UHFFFAOYSA-N 2 3 374.573 2.323 20 0 FEADHP C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000430915028 559830157 /nfs/dbraw/zinc/83/01/57/559830157.db2.gz BIORVPQHBTZJCB-QZTJIDSGSA-N 2 3 372.557 2.215 20 0 FEADHP C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000430915027 559830220 /nfs/dbraw/zinc/83/02/20/559830220.db2.gz BIORVPQHBTZJCB-MSOLQXFVSA-N 2 3 372.557 2.215 20 0 FEADHP CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000519619857 562137270 /nfs/dbraw/zinc/13/72/70/562137270.db2.gz XITWHBODKSFBMA-UYAOXDASSA-N 2 3 364.578 2.172 20 0 FEADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)CC2)cc1 ZINC000422778633 559606306 /nfs/dbraw/zinc/60/63/06/559606306.db2.gz HNJOCJIAEFZJBZ-MAODMQOUSA-N 2 3 361.530 2.249 20 0 FEADHP Cc1nc(N2CCC(C[NH+](C)C)CC2)cc(N2CCC(C[NH+](C)C)CC2)n1 ZINC000533101206 562498385 /nfs/dbraw/zinc/49/83/85/562498385.db2.gz ABNVCCUKNXIHDJ-UHFFFAOYSA-N 2 3 374.577 2.341 20 0 FEADHP CCOC(=O)C1([C@@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)CC[NH2+]CC1 ZINC000423533714 559631384 /nfs/dbraw/zinc/63/13/84/559631384.db2.gz YHENZGOBASNVRX-QVVGYRBSSA-N 2 3 363.546 2.051 20 0 FEADHP CCOC(=O)C1([C@@H](C)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[NH2+]CC1 ZINC000423533714 559631385 /nfs/dbraw/zinc/63/13/85/559631385.db2.gz YHENZGOBASNVRX-QVVGYRBSSA-N 2 3 363.546 2.051 20 0 FEADHP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC[NH2+]CC1 ZINC000596654614 673401320 /nfs/dbraw/zinc/40/13/20/673401320.db2.gz KPKNQRZMLGNYFM-AEFFLSMTSA-N 2 3 351.535 2.019 20 0 FEADHP CCc1ccc([C@@H](CNC(=O)CCCN2CCC([NH3+])CC2)[NH+](C)C)cc1 ZINC000433137950 330272439 /nfs/dbraw/zinc/27/24/39/330272439.db2.gz QHGQWAZOJPJMGP-HXUWFJFHSA-N 2 3 360.546 2.171 20 0 FEADHP CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000155619898 545550254 /nfs/dbraw/zinc/55/02/54/545550254.db2.gz AKLZETRZYIVIAX-RTBURBONSA-N 2 3 362.562 2.304 20 0 FEADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000443686824 560090363 /nfs/dbraw/zinc/09/03/63/560090363.db2.gz WFELAGWUASVCAN-ROUUACIJSA-N 2 3 369.598 2.020 20 0 FEADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000443686824 560090364 /nfs/dbraw/zinc/09/03/64/560090364.db2.gz WFELAGWUASVCAN-ROUUACIJSA-N 2 3 369.598 2.020 20 0 FEADHP FC1(F)CCNC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000903955223 690988988 /nfs/dbraw/zinc/98/89/88/690988988.db2.gz NHJPMRNBCBPFSR-QGZVFWFLSA-N 2 3 353.457 2.496 20 0 FEADHP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415127597 559206770 /nfs/dbraw/zinc/20/67/70/559206770.db2.gz WCOBYQFNVRCFMT-MOPGFXCFSA-N 2 3 372.557 2.348 20 0 FEADHP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415127597 559206771 /nfs/dbraw/zinc/20/67/71/559206771.db2.gz WCOBYQFNVRCFMT-MOPGFXCFSA-N 2 3 372.557 2.348 20 0 FEADHP C[N@H+](CCOc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1)C1CCOCC1 ZINC000422715282 559604139 /nfs/dbraw/zinc/60/41/39/559604139.db2.gz RYPFTKPYXJJNAW-NQIIRXRSSA-N 2 3 361.530 2.393 20 0 FEADHP C[N@@H+](CCOc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1)C1CCOCC1 ZINC000422715282 559604140 /nfs/dbraw/zinc/60/41/40/559604140.db2.gz RYPFTKPYXJJNAW-NQIIRXRSSA-N 2 3 361.530 2.393 20 0 FEADHP CCN1CCN(CCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422857815 559608806 /nfs/dbraw/zinc/60/88/06/559608806.db2.gz HZOSUXQSPYDJHG-UNMCSNQZSA-N 2 3 372.557 2.250 20 0 FEADHP CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000155564708 326793629 /nfs/dbraw/zinc/79/36/29/326793629.db2.gz BDFBWOIADYEAHL-RBUKOAKNSA-N 2 3 362.562 2.304 20 0 FEADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)CC2)cc1 ZINC000422778635 559606321 /nfs/dbraw/zinc/60/63/21/559606321.db2.gz HNJOCJIAEFZJBZ-TYCQWZJGSA-N 2 3 361.530 2.249 20 0 FEADHP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415127598 559206806 /nfs/dbraw/zinc/20/68/06/559206806.db2.gz WCOBYQFNVRCFMT-OALUTQOASA-N 2 3 372.557 2.348 20 0 FEADHP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415127598 559206807 /nfs/dbraw/zinc/20/68/07/559206807.db2.gz WCOBYQFNVRCFMT-OALUTQOASA-N 2 3 372.557 2.348 20 0 FEADHP CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000155619578 545550121 /nfs/dbraw/zinc/55/01/21/545550121.db2.gz AKLZETRZYIVIAX-OALUTQOASA-N 2 3 362.562 2.304 20 0 FEADHP CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000155619795 545550335 /nfs/dbraw/zinc/55/03/35/545550335.db2.gz AKLZETRZYIVIAX-RBUKOAKNSA-N 2 3 362.562 2.304 20 0 FEADHP C(CN1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)CN1C[C@H]2[C@@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000363415619 555100160 /nfs/dbraw/zinc/10/01/60/555100160.db2.gz XOVJZURIRCPHCL-WMXKIEPZSA-N 2 3 372.601 2.209 20 0 FEADHP C(CN1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)CN1C[C@H]2[C@@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000363415619 555100162 /nfs/dbraw/zinc/10/01/62/555100162.db2.gz XOVJZURIRCPHCL-WMXKIEPZSA-N 2 3 372.601 2.209 20 0 FEADHP C(CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)CN1C[C@H]2[C@@H](C1)C[NH+]1CCCC[C@@H]21 ZINC000363415619 555100164 /nfs/dbraw/zinc/10/01/64/555100164.db2.gz XOVJZURIRCPHCL-WMXKIEPZSA-N 2 3 372.601 2.209 20 0 FEADHP C(CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)CN1C[C@H]2[C@@H](C1)C[NH+]1CCCC[C@@H]21 ZINC000363415619 555100166 /nfs/dbraw/zinc/10/01/66/555100166.db2.gz XOVJZURIRCPHCL-WMXKIEPZSA-N 2 3 372.601 2.209 20 0 FEADHP C[NH+](C)[C@H](CNC(=O)CN1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000366879478 555958435 /nfs/dbraw/zinc/95/84/35/555958435.db2.gz HDHIVQIKNQMTMH-HXUWFJFHSA-N 2 3 372.557 2.213 20 0 FEADHP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)CC[NH2+]CC1 ZINC000596654615 673401207 /nfs/dbraw/zinc/40/12/07/673401207.db2.gz KPKNQRZMLGNYFM-FUHWJXTLSA-N 2 3 351.535 2.019 20 0 FEADHP CCN1CCN(CCC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000268805806 329457546 /nfs/dbraw/zinc/45/75/46/329457546.db2.gz JFJXNAOJRHDZJI-LJQANCHMSA-N 2 3 362.562 2.305 20 0 FEADHP CCCN1CCC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000156884463 545673984 /nfs/dbraw/zinc/67/39/84/545673984.db2.gz RKGRAOBQKJUZJC-FQEVSTJZSA-N 2 3 372.557 2.348 20 0 FEADHP CCCN1CCC([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000156884463 545673990 /nfs/dbraw/zinc/67/39/90/545673990.db2.gz RKGRAOBQKJUZJC-FQEVSTJZSA-N 2 3 372.557 2.348 20 0 FEADHP Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000443071371 560069159 /nfs/dbraw/zinc/06/91/59/560069159.db2.gz MEJMPUPQIUSZST-HXUWFJFHSA-N 2 3 372.557 2.090 20 0 FEADHP Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000443071371 560069161 /nfs/dbraw/zinc/06/91/61/560069161.db2.gz MEJMPUPQIUSZST-HXUWFJFHSA-N 2 3 372.557 2.090 20 0 FEADHP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000502690839 561623592 /nfs/dbraw/zinc/62/35/92/561623592.db2.gz XBNYNYWCZOJAFK-LJQANCHMSA-N 2 3 352.567 2.031 20 0 FEADHP CC(CN1CC[C@H](C[NH+]2CCCC2)C1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000533425045 562508369 /nfs/dbraw/zinc/50/83/69/562508369.db2.gz JNKGSJYSERMLDA-FGZHOGPDSA-N 2 3 362.606 2.458 20 0 FEADHP C[C@H]1C[C@@H](CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)CC[NH2+]1 ZINC000414744775 559184289 /nfs/dbraw/zinc/18/42/89/559184289.db2.gz QBAKQXOUFBNNLM-OALUTQOASA-N 2 3 360.546 2.137 20 0 FEADHP CCN1CCN(CCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422857812 559608801 /nfs/dbraw/zinc/60/88/01/559608801.db2.gz HZOSUXQSPYDJHG-IFMALSPDSA-N 2 3 372.557 2.250 20 0 FEADHP C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000430915029 559830333 /nfs/dbraw/zinc/83/03/33/559830333.db2.gz BIORVPQHBTZJCB-ROUUACIJSA-N 2 3 372.557 2.215 20 0 FEADHP CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000268798953 329456984 /nfs/dbraw/zinc/45/69/84/329456984.db2.gz HCEAQHRIZAUQOX-IBGZPJMESA-N 2 3 362.562 2.305 20 0 FEADHP CCc1ccc([C@H](CNC(=O)CCCN2CCC([NH3+])CC2)[NH+](C)C)cc1 ZINC000433137949 330272595 /nfs/dbraw/zinc/27/25/95/330272595.db2.gz QHGQWAZOJPJMGP-FQEVSTJZSA-N 2 3 360.546 2.171 20 0 FEADHP CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000519619854 562137279 /nfs/dbraw/zinc/13/72/79/562137279.db2.gz XITWHBODKSFBMA-AZUAARDMSA-N 2 3 364.578 2.172 20 0 FEADHP C[C@@H]1C[C@@H](CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)CC[NH2+]1 ZINC000414744774 559184332 /nfs/dbraw/zinc/18/43/32/559184332.db2.gz QBAKQXOUFBNNLM-MOPGFXCFSA-N 2 3 360.546 2.137 20 0 FEADHP