smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@H]1C[NH2+][C@H](C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)C1 ZINC000067871450 205399011 /nfs/dbraw/zinc/39/90/11/205399011.db2.gz ZIIMOVZBQCOOCR-WBVHZDCISA-N 1 3 350.438 0.428 50 0 FCAAHO COc1cc2nc(N3C[C@@H]4C[NH2+]C[C@@]4(CN(C)C)C3)nc(N)c2cc1OC ZINC001772709882 1181699569 /nfs/dbraw/zinc/69/95/69/1181699569.db2.gz NZPGNXLVYZHWLB-HXPMCKFVSA-N 1 3 372.473 0.817 50 0 FCAAHO C[C@@H](CC(=O)NCc1cccnc1N1CCN(C)CC1)[NH+]1CCOCC1 ZINC000067886638 1216709670 /nfs/dbraw/zinc/70/96/70/1216709670.db2.gz UVWIAKMCMKLKNV-INIZCTEOSA-N 1 3 361.490 0.560 50 0 FCAAHO Cc1cc(N2CCN(Cc3nnc([C@H]4C[C@H]([NH3+])C4)n3C)CC2)nc(N)n1 ZINC000220749336 132276544 /nfs/dbraw/zinc/27/65/44/132276544.db2.gz RZEBGPVXHQLQNR-BETUJISGSA-N 1 3 357.466 0.023 50 0 FCAAHO CN1CCC[N@H+](C[C@@H]2CN(Cc3ccc(C(N)=O)cc3)C[C@@H]2CO)CC1 ZINC000091829590 488470750 /nfs/dbraw/zinc/47/07/50/488470750.db2.gz WCXFEQWZBYHKOC-RTBURBONSA-N 1 3 360.502 0.463 50 0 FCAAHO CN1CCC[N@@H+](C[C@@H]2CN(Cc3ccc(C(N)=O)cc3)C[C@@H]2CO)CC1 ZINC000091829590 488470752 /nfs/dbraw/zinc/47/07/52/488470752.db2.gz WCXFEQWZBYHKOC-RTBURBONSA-N 1 3 360.502 0.463 50 0 FCAAHO [NH3+]CCCCNC(=O)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000426434171 489567717 /nfs/dbraw/zinc/56/77/17/489567717.db2.gz WZYJVIGCLCBMET-IPCDKGFNSA-N 1 3 357.502 0.592 50 0 FCAAHO NC(=O)C1CC[NH+](CCCNC(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000534675006 490396846 /nfs/dbraw/zinc/39/68/46/490396846.db2.gz FOHORMNKFSBUNN-UHFFFAOYSA-N 1 3 374.489 0.501 50 0 FCAAHO Cc1ccc(C2(CN3CCCN([C@H]4COC[C@@H]4O)CC3)CC[NH2+]CC2)nc1 ZINC000065465315 205354295 /nfs/dbraw/zinc/35/42/95/205354295.db2.gz ANAUSLJFSOOOKZ-OALUTQOASA-N 1 3 374.529 0.779 50 0 FCAAHO CN1CC2(C[C@H]1C(=O)NCc1ccccc1-n1cncn1)CC[NH2+]CC2 ZINC000072475525 488381799 /nfs/dbraw/zinc/38/17/99/488381799.db2.gz GLABUUSWFCELMT-KRWDZBQOSA-N 1 3 354.458 0.957 50 0 FCAAHO CN(C)[C@H]1CN(c2nc(-c3ccccn3)nc3c2CC[NH2+]CC3)C[C@@H]1O ZINC000072479073 488381922 /nfs/dbraw/zinc/38/19/22/488381922.db2.gz SHVCWQFFFQZHAJ-IRXDYDNUSA-N 1 3 354.458 0.338 50 0 FCAAHO O=C(C[NH+]1CCCCCC1)N1CCC(N2CCN(CCO)CC2)CC1 ZINC000952870108 836573365 /nfs/dbraw/zinc/57/33/65/836573365.db2.gz SAQWWNITGOJWNB-UHFFFAOYSA-N 1 3 352.523 0.463 50 0 FCAAHO CNc1ncc(CN(C)C(=O)[C@@]23CNC[C@@H]2C[N@@H+](C2CCCC2)C3)cn1 ZINC000065489977 205353160 /nfs/dbraw/zinc/35/31/60/205353160.db2.gz ZKSXDQDGLYEYRL-DNVCBOLYSA-N 1 3 358.490 0.941 50 0 FCAAHO CNc1ncc(CN(C)C(=O)[C@@]23CNC[C@@H]2C[N@H+](C2CCCC2)C3)cn1 ZINC000065489977 205353161 /nfs/dbraw/zinc/35/31/61/205353161.db2.gz ZKSXDQDGLYEYRL-DNVCBOLYSA-N 1 3 358.490 0.941 50 0 FCAAHO NC(=O)[C@H]1CCCN(CCNc2ncnc3sc4c(c32)CC[NH2+]C4)C1 ZINC000065535841 205359138 /nfs/dbraw/zinc/35/91/38/205359138.db2.gz GDCJAEVMLFEOFQ-NSHDSACASA-N 1 3 360.487 0.946 50 0 FCAAHO NC1CN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)C1 ZINC000071752569 488377301 /nfs/dbraw/zinc/37/73/01/488377301.db2.gz FNGVTCLKVIKQDG-QGZVFWFLSA-N 1 3 357.502 0.928 50 0 FCAAHO NC1CN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)C1 ZINC000071752569 488377302 /nfs/dbraw/zinc/37/73/02/488377302.db2.gz FNGVTCLKVIKQDG-QGZVFWFLSA-N 1 3 357.502 0.928 50 0 FCAAHO CN(C)[C@H]1CN(c2nc(-c3cccnc3)nc3c2CC[NH2+]CC3)C[C@@H]1O ZINC000072419684 488380184 /nfs/dbraw/zinc/38/01/84/488380184.db2.gz XVRXKQGEBGGEJQ-IRXDYDNUSA-N 1 3 354.458 0.338 50 0 FCAAHO Cc1nn(C)c(C)c1CN(CCO)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072454704 488381401 /nfs/dbraw/zinc/38/14/01/488381401.db2.gz ZGGHZWCDXYZDNX-QGZVFWFLSA-N 1 3 363.506 0.432 50 0 FCAAHO Cc1cc(N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)nc(N(C)C)n1 ZINC000091873053 488471345 /nfs/dbraw/zinc/47/13/45/488471345.db2.gz DHFWQXSBHAIFTL-IAGOWNOFSA-N 1 3 362.522 0.533 50 0 FCAAHO Cc1cc(N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)nc(N(C)C)n1 ZINC000091873053 488471346 /nfs/dbraw/zinc/47/13/46/488471346.db2.gz DHFWQXSBHAIFTL-IAGOWNOFSA-N 1 3 362.522 0.533 50 0 FCAAHO Cc1cc(N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)nc(N(C)C)n1 ZINC000091873053 488471348 /nfs/dbraw/zinc/47/13/48/488471348.db2.gz DHFWQXSBHAIFTL-IAGOWNOFSA-N 1 3 362.522 0.533 50 0 FCAAHO Cc1cc(N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)nc(N(C)C)n1 ZINC000091873053 488471350 /nfs/dbraw/zinc/47/13/50/488471350.db2.gz DHFWQXSBHAIFTL-IAGOWNOFSA-N 1 3 362.522 0.533 50 0 FCAAHO NCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071747289 488377202 /nfs/dbraw/zinc/37/72/02/488377202.db2.gz ISEIUCLXPPWOSP-MRXNPFEDSA-N 1 3 359.474 0.360 50 0 FCAAHO NCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071747289 488377203 /nfs/dbraw/zinc/37/72/03/488377203.db2.gz ISEIUCLXPPWOSP-MRXNPFEDSA-N 1 3 359.474 0.360 50 0 FCAAHO CN1CC2(C[C@H]1C(=O)NCc1nnc(-c3ccncc3)[nH]1)CC[NH2+]CC2 ZINC000072457794 488381390 /nfs/dbraw/zinc/38/13/90/488381390.db2.gz XLEOQERRSVJYJU-AWEZNQCLSA-N 1 3 355.446 0.557 50 0 FCAAHO CN1CC2(C[C@H]1C(=O)NCc1ccc3c(c1)n(C)c(=O)n3C)CC[NH2+]CC2 ZINC000072475764 488381733 /nfs/dbraw/zinc/38/17/33/488381733.db2.gz USJZOKSBPFHUHK-KRWDZBQOSA-N 1 3 371.485 0.567 50 0 FCAAHO [NH3+]CCCCNC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000426434172 489567907 /nfs/dbraw/zinc/56/79/07/489567907.db2.gz WZYJVIGCLCBMET-KGXSXCIVSA-N 1 3 357.502 0.592 50 0 FCAAHO COCCN1CC[C@H](CNC(=O)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000670468167 493570387 /nfs/dbraw/zinc/57/03/87/493570387.db2.gz RMJZXONEAYLLPL-MRXNPFEDSA-N 1 3 353.507 0.962 50 0 FCAAHO CCCCN1CCn2nc(CNC(=O)CN3CCC[N@H+](C)CC3)cc2C1 ZINC000299791839 488874343 /nfs/dbraw/zinc/87/43/43/488874343.db2.gz DOFDOFCYPMDMID-UHFFFAOYSA-N 1 3 362.522 0.753 50 0 FCAAHO CCCCN1CCn2nc(CNC(=O)CN3CCC[N@@H+](C)CC3)cc2C1 ZINC000299791839 488874346 /nfs/dbraw/zinc/87/43/46/488874346.db2.gz DOFDOFCYPMDMID-UHFFFAOYSA-N 1 3 362.522 0.753 50 0 FCAAHO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3(N)CCC3)CC2)C1 ZINC000071714551 488377175 /nfs/dbraw/zinc/37/71/75/488377175.db2.gz MKDZLNLYNKXRGJ-HNNXBMFYSA-N 1 3 366.506 0.333 50 0 FCAAHO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)C3(N)CCC3)CC2)C1 ZINC000071714551 488377176 /nfs/dbraw/zinc/37/71/76/488377176.db2.gz MKDZLNLYNKXRGJ-HNNXBMFYSA-N 1 3 366.506 0.333 50 0 FCAAHO NC(=O)C1(N2CCCCC2)CCN(Cc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000072169702 488379210 /nfs/dbraw/zinc/37/92/10/488379210.db2.gz JCWFBZAHKXRHHQ-UHFFFAOYSA-N 1 3 360.506 0.682 50 0 FCAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)CN(C)C3CCCC3)CC[C@H]21 ZINC000072476381 488381727 /nfs/dbraw/zinc/38/17/27/488381727.db2.gz ILKRDOXYURQRBH-DOTOQJQBSA-N 1 3 350.507 0.920 50 0 FCAAHO O=C(NCC1(CO)CCOCC1)[C@@]12CNC[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065407912 205347682 /nfs/dbraw/zinc/34/76/82/205347682.db2.gz FZIPZKRGDVIHLW-DNVCBOLYSA-N 1 3 351.491 0.356 50 0 FCAAHO O=C(NCC1(CO)CCOCC1)[C@@]12CNC[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065407912 205347685 /nfs/dbraw/zinc/34/76/85/205347685.db2.gz FZIPZKRGDVIHLW-DNVCBOLYSA-N 1 3 351.491 0.356 50 0 FCAAHO Cc1ccc(CNC(=O)C2CCN(C(=O)C34CNCC3C[NH2+]C4)CC2)cc1 ZINC000065408388 205348881 /nfs/dbraw/zinc/34/88/81/205348881.db2.gz XEKZOTYJUIGTAA-UHFFFAOYSA-N 1 3 370.497 0.659 50 0 FCAAHO O=C([C@H]1CNCCO1)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000215898023 206352637 /nfs/dbraw/zinc/35/26/37/206352637.db2.gz WRFFWRCOGCXOCX-HXUWFJFHSA-N 1 3 372.513 0.784 50 0 FCAAHO NC(=O)C1(N2CCCCC2)CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)CC1 ZINC000243901267 132289886 /nfs/dbraw/zinc/28/98/86/132289886.db2.gz BAPRKRNGFQYCSL-OKILXGFUSA-N 1 3 373.505 0.574 50 0 FCAAHO CN(CC[NH+](C)C)C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000426443387 489567777 /nfs/dbraw/zinc/56/77/77/489567777.db2.gz NNPLMPVPVTXBOO-MOMVYJMYSA-N 1 3 371.529 0.757 50 0 FCAAHO Cc1cc(=O)n(CC[NH+]2CCC([C@@H](C)N3CCOCC3)CC2)c(=O)[nH]1 ZINC000253536493 664455244 /nfs/dbraw/zinc/45/52/44/664455244.db2.gz GYEOYQIXAFDVAP-OAHLLOKOSA-N 1 3 350.463 0.690 50 0 FCAAHO OCCC[N@H+]1CCc2nnc([C@H]3CCN(Cc4cccnc4)C3)n2CC1 ZINC000257177316 1196771278 /nfs/dbraw/zinc/77/12/78/1196771278.db2.gz WNEMXQWOTYMLSG-KRWDZBQOSA-N 1 3 356.474 0.903 50 0 FCAAHO OCCC[N@@H+]1CCc2nnc([C@H]3CCN(Cc4cccnc4)C3)n2CC1 ZINC000257177316 1196771282 /nfs/dbraw/zinc/77/12/82/1196771282.db2.gz WNEMXQWOTYMLSG-KRWDZBQOSA-N 1 3 356.474 0.903 50 0 FCAAHO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NC[C@H](c2cccnc2)N2CCCCC2)C1 ZINC000952975009 1206216265 /nfs/dbraw/zinc/21/62/65/1206216265.db2.gz LBBOFIZUAIYAQG-QZTJIDSGSA-N 1 3 373.501 0.922 50 0 FCAAHO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NC[C@H](c2cccnc2)N2CCCCC2)C1 ZINC000952975009 1206216268 /nfs/dbraw/zinc/21/62/68/1206216268.db2.gz LBBOFIZUAIYAQG-QZTJIDSGSA-N 1 3 373.501 0.922 50 0 FCAAHO Cc1c[nH+]ccc1N1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000065374077 205341004 /nfs/dbraw/zinc/34/10/04/205341004.db2.gz NSLANNJTSRPXFD-KRWDZBQOSA-N 1 3 373.501 0.839 50 0 FCAAHO CN(C)CCN1C(=O)CC[C@@H]1CC[NH2+]C1CCN(c2ncccn2)CC1 ZINC000095512000 132213168 /nfs/dbraw/zinc/21/31/68/132213168.db2.gz HBJNJSUAOFVEGR-QGZVFWFLSA-N 1 3 360.506 0.978 50 0 FCAAHO COCC[NH+]1CCC(CNC(=O)[C@H]2CCC(=O)N(CCN(C)C)C2)CC1 ZINC000012747507 487556944 /nfs/dbraw/zinc/55/69/44/487556944.db2.gz SROBCAPJRMJSBC-KRWDZBQOSA-N 1 3 368.522 0.261 50 0 FCAAHO COC(=O)CC[C@H]1C[N@@H+](C2CCN(C)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000023374707 487635826 /nfs/dbraw/zinc/63/58/26/487635826.db2.gz GQSGTDRLKJPTOZ-PKOBYXMFSA-N 1 3 366.550 0.972 50 0 FCAAHO COC(=O)CC[C@H]1C[N@H+](C2CCN(C)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000023374707 487635833 /nfs/dbraw/zinc/63/58/33/487635833.db2.gz GQSGTDRLKJPTOZ-PKOBYXMFSA-N 1 3 366.550 0.972 50 0 FCAAHO COCCN(C)CCN1CC2(CCN([C@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072479536 488381977 /nfs/dbraw/zinc/38/19/77/488381977.db2.gz QPRQBBJZQYSPEK-INIZCTEOSA-N 1 3 354.495 0.603 50 0 FCAAHO COCCN1CC[C@]2(CN(c3cc(C)nc(N)n3)CC[N@@H+]2C)CCC1=O ZINC000095367404 536879832 /nfs/dbraw/zinc/87/98/32/536879832.db2.gz GYNSJNHICMAUNF-SFHVURJKSA-N 1 3 362.478 0.517 50 0 FCAAHO COCCN1CC[C@]2(CN(c3cc(C)nc(N)n3)CC[N@H+]2C)CCC1=O ZINC000095367404 536879838 /nfs/dbraw/zinc/87/98/38/536879838.db2.gz GYNSJNHICMAUNF-SFHVURJKSA-N 1 3 362.478 0.517 50 0 FCAAHO CN1CCCN(CC(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000823778385 836518196 /nfs/dbraw/zinc/51/81/96/836518196.db2.gz SCLQNQXRBPMFOA-SFHVURJKSA-N 1 3 352.523 0.727 50 0 FCAAHO [NH3+]CCc1cc(N[C@@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)ncn1 ZINC000106688885 209274424 /nfs/dbraw/zinc/27/44/24/209274424.db2.gz PEPCACIAGIMAMM-ZWVUXNTGSA-N 1 3 364.497 0.957 50 0 FCAAHO COCCN1CC[C@@]2(CN(c3cc(C)nc(N)n3)CC[N@@H+]2C)CCC1=O ZINC000108016704 132242703 /nfs/dbraw/zinc/24/27/03/132242703.db2.gz GYNSJNHICMAUNF-GOSISDBHSA-N 1 3 362.478 0.517 50 0 FCAAHO COCCN1CC[C@@]2(CN(c3cc(C)nc(N)n3)CC[N@H+]2C)CCC1=O ZINC000108016704 132242706 /nfs/dbraw/zinc/24/27/06/132242706.db2.gz GYNSJNHICMAUNF-GOSISDBHSA-N 1 3 362.478 0.517 50 0 FCAAHO CN1CC2(C[C@@H]1C(=O)N1CCN(c3ccccc3)C(=O)C1)CC[NH2+]CC2 ZINC000072424296 136146275 /nfs/dbraw/zinc/14/62/75/136146275.db2.gz NWICKJYRVYJMEF-QGZVFWFLSA-N 1 3 356.470 0.936 50 0 FCAAHO NC1CN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)C1 ZINC000071712248 488377090 /nfs/dbraw/zinc/37/70/90/488377090.db2.gz UGUQSSMLRNQKKD-QGZVFWFLSA-N 1 3 357.502 0.928 50 0 FCAAHO NC1CN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)C1 ZINC000071712248 488377091 /nfs/dbraw/zinc/37/70/91/488377091.db2.gz UGUQSSMLRNQKKD-QGZVFWFLSA-N 1 3 357.502 0.928 50 0 FCAAHO CNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(CN4CC=CC4)cc3)nn2)C[NH2+]1 ZINC000102357432 209234901 /nfs/dbraw/zinc/23/49/01/209234901.db2.gz YBDLNWYSDGOEKQ-IRXDYDNUSA-N 1 3 352.442 0.966 50 0 FCAAHO Cn1ccnc1CN1CCN(C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)CC1 ZINC000072426317 488380580 /nfs/dbraw/zinc/38/05/80/488380580.db2.gz WOWVCDMSKZUGBE-INIZCTEOSA-N 1 3 360.506 0.138 50 0 FCAAHO CCn1cc(CN(CCOC)C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)cn1 ZINC000072447779 488381162 /nfs/dbraw/zinc/38/11/62/488381162.db2.gz DWVGZXOYTGBSRP-QGZVFWFLSA-N 1 3 363.506 0.952 50 0 FCAAHO CN1CC2(C[C@@H]1C(=O)N1CCC(O)(c3cccnc3)CC1)CC[NH2+]CC2 ZINC000072475972 488381716 /nfs/dbraw/zinc/38/17/16/488381716.db2.gz SPPIKPSMOHXXNW-QGZVFWFLSA-N 1 3 358.486 0.966 50 0 FCAAHO CN1CCN(CCOc2ccccc2C[N@@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000216225919 488441307 /nfs/dbraw/zinc/44/13/07/488441307.db2.gz YHCOWDNWIWKKLH-FQEVSTJZSA-N 1 3 363.502 0.632 50 0 FCAAHO CN1CCN(CCOc2ccccc2C[N@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000216225919 488441308 /nfs/dbraw/zinc/44/13/08/488441308.db2.gz YHCOWDNWIWKKLH-FQEVSTJZSA-N 1 3 363.502 0.632 50 0 FCAAHO CCn1c(CN2CCN(C3CCN(C)CC3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000243892807 488460077 /nfs/dbraw/zinc/46/00/77/488460077.db2.gz ALPPWERCSPHRDL-WKILWMFISA-N 1 3 361.538 0.715 50 0 FCAAHO COc1cc2nc(N3C[C@@H]4C[NH2+]C[C@]4(CN(C)C)C3)nc(N)c2cc1OC ZINC001772709879 1181700006 /nfs/dbraw/zinc/70/00/06/1181700006.db2.gz NZPGNXLVYZHWLB-BUXKBTBVSA-N 1 3 372.473 0.817 50 0 FCAAHO OCCC[N@H+]1CCc2nnc([C@@H]3CCN(Cc4cccnc4)C3)n2CC1 ZINC000257177318 1196771554 /nfs/dbraw/zinc/77/15/54/1196771554.db2.gz WNEMXQWOTYMLSG-QGZVFWFLSA-N 1 3 356.474 0.903 50 0 FCAAHO OCCC[N@@H+]1CCc2nnc([C@@H]3CCN(Cc4cccnc4)C3)n2CC1 ZINC000257177318 1196771562 /nfs/dbraw/zinc/77/15/62/1196771562.db2.gz WNEMXQWOTYMLSG-QGZVFWFLSA-N 1 3 356.474 0.903 50 0 FCAAHO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC(N2CCN(CCO)CC2)CC1 ZINC000952874244 1206212474 /nfs/dbraw/zinc/21/24/74/1206212474.db2.gz YYNOQCWFOYBACZ-SFHVURJKSA-N 1 3 366.550 0.852 50 0 FCAAHO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC(N2CCN(CCO)CC2)CC1 ZINC000952874244 1206212475 /nfs/dbraw/zinc/21/24/75/1206212475.db2.gz YYNOQCWFOYBACZ-SFHVURJKSA-N 1 3 366.550 0.852 50 0 FCAAHO CN1CC2(C[C@H]1C(=O)N1CCOCC1)CC[NH+](C1CCOCC1)CC2 ZINC000581802741 836088193 /nfs/dbraw/zinc/08/81/93/836088193.db2.gz NKIYWXVBRXMRGV-KRWDZBQOSA-N 1 3 351.491 0.811 50 0 FCAAHO CNC(=O)[C@@H]1C[C@@H](n2cc(COc3ccccc3CN(C)C)nn2)C[NH2+]1 ZINC000067982097 488359000 /nfs/dbraw/zinc/35/90/00/488359000.db2.gz BJNIWMDENGIWKO-CVEARBPZSA-N 1 3 358.446 0.568 50 0 FCAAHO CN1CC2(C[C@@H]1C(=O)NCc1nnc(-c3ccncc3)[nH]1)CC[NH2+]CC2 ZINC000072457791 488381425 /nfs/dbraw/zinc/38/14/25/488381425.db2.gz XLEOQERRSVJYJU-CQSZACIVSA-N 1 3 355.446 0.557 50 0 FCAAHO C[NH+](C)CCn1ccnc1C1CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)CC1 ZINC000091546959 521822086 /nfs/dbraw/zinc/82/20/86/521822086.db2.gz UIJDYSUHGXBHAC-INIZCTEOSA-N 1 3 359.478 0.444 50 0 FCAAHO C[NH+](C)CCn1ccnc1C1CCN(C(=O)[C@@H](N)Cc2cnc[nH]2)CC1 ZINC000091546959 521822094 /nfs/dbraw/zinc/82/20/94/521822094.db2.gz UIJDYSUHGXBHAC-INIZCTEOSA-N 1 3 359.478 0.444 50 0 FCAAHO O=C(NCCN1CCCC1)c1cccc(C(=O)NCC[NH+]2CCCC2)n1 ZINC000020945574 526305497 /nfs/dbraw/zinc/30/54/97/526305497.db2.gz UHLMRJJBPDTSPP-UHFFFAOYSA-N 1 3 359.474 0.733 50 0 FCAAHO COc1ccc(OCCC[NH3+])c(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)c1 ZINC000299798592 488875051 /nfs/dbraw/zinc/87/50/51/488875051.db2.gz QUPCJLXUSDYHQZ-IRXDYDNUSA-N 1 3 363.458 0.704 50 0 FCAAHO [NH3+]CCc1cc(N[C@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)ncn1 ZINC000067562623 488352801 /nfs/dbraw/zinc/35/28/01/488352801.db2.gz PEPCACIAGIMAMM-WJAMPBCPSA-N 1 3 364.497 0.957 50 0 FCAAHO NCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071765549 488377291 /nfs/dbraw/zinc/37/72/91/488377291.db2.gz NDIWOEKCFBVAHL-OAHLLOKOSA-N 1 3 359.474 0.360 50 0 FCAAHO NCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071765549 488377292 /nfs/dbraw/zinc/37/72/92/488377292.db2.gz NDIWOEKCFBVAHL-OAHLLOKOSA-N 1 3 359.474 0.360 50 0 FCAAHO O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCc2c(=O)[n-]c(CC3CC3)nc2C1 ZINC000072144033 488378087 /nfs/dbraw/zinc/37/80/87/488378087.db2.gz DZLCGNZDJDUYPK-OAHLLOKOSA-N 1 3 371.485 0.339 50 0 FCAAHO CN1CC2(C[C@H]1C(=O)N1CCC(Nc3ncccn3)CC1)CC[NH2+]CC2 ZINC000072421833 488380429 /nfs/dbraw/zinc/38/04/29/488380429.db2.gz NPMLAEPLGYGIPA-INIZCTEOSA-N 1 3 358.490 0.953 50 0 FCAAHO COc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)cc1OCCC[NH3+] ZINC000426658305 489578609 /nfs/dbraw/zinc/57/86/09/489578609.db2.gz IMRITRDUUBQQIH-HOTGVXAUSA-N 1 3 363.458 0.704 50 0 FCAAHO O=C(CNC(=O)[C@@]12CNC[C@@H]1C[N@@H+](C1CCCC1)C2)Nc1nccs1 ZINC000065374008 488317017 /nfs/dbraw/zinc/31/70/17/488317017.db2.gz PTFUMEKLKJBUNZ-SJKOYZFVSA-N 1 3 363.487 0.662 50 0 FCAAHO O=C(CNC(=O)[C@@]12CNC[C@@H]1C[N@H+](C1CCCC1)C2)Nc1nccs1 ZINC000065374008 488317020 /nfs/dbraw/zinc/31/70/20/488317020.db2.gz PTFUMEKLKJBUNZ-SJKOYZFVSA-N 1 3 363.487 0.662 50 0 FCAAHO O=C(NCCCN1CCOCC1)[C@@]12CNC[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065468366 488318285 /nfs/dbraw/zinc/31/82/85/488318285.db2.gz QNMJNBMDHXDPBH-VQIMIIECSA-N 1 3 350.507 0.289 50 0 FCAAHO O=C(NCCCN1CCOCC1)[C@@]12CNC[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065468366 488318287 /nfs/dbraw/zinc/31/82/87/488318287.db2.gz QNMJNBMDHXDPBH-VQIMIIECSA-N 1 3 350.507 0.289 50 0 FCAAHO CNC(=O)[C@@H]1C[C@H](n2cc(COc3ccccc3CN(C)C)nn2)C[NH2+]1 ZINC000067740747 488355606 /nfs/dbraw/zinc/35/56/06/488355606.db2.gz BJNIWMDENGIWKO-HOTGVXAUSA-N 1 3 358.446 0.568 50 0 FCAAHO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3(N)CCC3)CC2)C1 ZINC000071714548 488377064 /nfs/dbraw/zinc/37/70/64/488377064.db2.gz MKDZLNLYNKXRGJ-OAHLLOKOSA-N 1 3 366.506 0.333 50 0 FCAAHO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3(N)CCC3)CC2)C1 ZINC000071714548 488377065 /nfs/dbraw/zinc/37/70/65/488377065.db2.gz MKDZLNLYNKXRGJ-OAHLLOKOSA-N 1 3 366.506 0.333 50 0 FCAAHO NCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071765550 488377316 /nfs/dbraw/zinc/37/73/16/488377316.db2.gz NDIWOEKCFBVAHL-HNNXBMFYSA-N 1 3 359.474 0.360 50 0 FCAAHO NCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071765550 488377317 /nfs/dbraw/zinc/37/73/17/488377317.db2.gz NDIWOEKCFBVAHL-HNNXBMFYSA-N 1 3 359.474 0.360 50 0 FCAAHO [NH3+]CCN1C(=O)CC[C@H]2CN(CCn3c4ccccc4oc3=O)CC[C@H]21 ZINC000072418501 488380239 /nfs/dbraw/zinc/38/02/39/488380239.db2.gz YPRPOOWCXZWYQG-LSDHHAIUSA-N 1 3 358.442 0.866 50 0 FCAAHO O[C@H](COc1cccc(C[NH2+]CCn2cccn2)c1)CN1CCC(O)CC1 ZINC000014977614 1213928133 /nfs/dbraw/zinc/92/81/33/1213928133.db2.gz WUFGESOYVIVCIK-IBGZPJMESA-N 1 3 374.485 0.869 50 0 FCAAHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000299738418 208324353 /nfs/dbraw/zinc/32/43/53/208324353.db2.gz AOCDYZIKEIVLPI-FGTMMUONSA-N 1 3 352.523 0.772 50 0 FCAAHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000299738418 208324360 /nfs/dbraw/zinc/32/43/60/208324360.db2.gz AOCDYZIKEIVLPI-FGTMMUONSA-N 1 3 352.523 0.772 50 0 FCAAHO COCCN(C)CCN1CC2(CCN(C3CC[NH2+]CC3)CC2)OC1=O ZINC000072478332 488381792 /nfs/dbraw/zinc/38/17/92/488381792.db2.gz LUZCOPDQRWKGBA-UHFFFAOYSA-N 1 3 354.495 0.603 50 0 FCAAHO NC(=O)[C@@H]1CCCN(CCNc2ncnc3sc4c(c32)CC[NH2+]C4)C1 ZINC000065535844 488319290 /nfs/dbraw/zinc/31/92/90/488319290.db2.gz GDCJAEVMLFEOFQ-LLVKDONJSA-N 1 3 360.487 0.946 50 0 FCAAHO CCN1CCN(CCN2CC3(CCN(CC(C)(C)[NH3+])CC3)OC2=O)CC1 ZINC000072427859 488380631 /nfs/dbraw/zinc/38/06/31/488380631.db2.gz YAPBJZDMSSTOEX-UHFFFAOYSA-N 1 3 367.538 0.648 50 0 FCAAHO C[NH+]1CCC(CN2CCN(C(=O)CCc3cc4n(n3)CCNC4)CC2)CC1 ZINC000072431996 488380859 /nfs/dbraw/zinc/38/08/59/488380859.db2.gz SIEKDJPXXDATSM-UHFFFAOYSA-N 1 3 374.533 0.405 50 0 FCAAHO COCCN(C)CCN1CC2(CCN(C(=O)C(C)(C)[NH3+])CC2)OC1=O ZINC000077469966 488413967 /nfs/dbraw/zinc/41/39/67/488413967.db2.gz FAYAFQUOPCBVAV-UHFFFAOYSA-N 1 3 356.467 0.115 50 0 FCAAHO COc1cccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](CCCC[NH3+])C(=O)N3C2)c1 ZINC000014755862 1213910910 /nfs/dbraw/zinc/91/09/10/1213910910.db2.gz DQGKCKOZGYZCNT-XIRDDKMYSA-N 1 3 360.458 0.382 50 0 FCAAHO O[C@@H](COc1cccc(C[NH2+]CCn2cccn2)c1)CN1CCC(O)CC1 ZINC000014977610 1213927939 /nfs/dbraw/zinc/92/79/39/1213927939.db2.gz WUFGESOYVIVCIK-LJQANCHMSA-N 1 3 374.485 0.869 50 0 FCAAHO CCn1cc(CN(CCOC)C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)cn1 ZINC000072447778 488381264 /nfs/dbraw/zinc/38/12/64/488381264.db2.gz DWVGZXOYTGBSRP-KRWDZBQOSA-N 1 3 363.506 0.952 50 0 FCAAHO CN1CC2(C[C@@H]1C(=O)NCc1ccccc1-n1cncn1)CC[NH2+]CC2 ZINC000072475524 488381760 /nfs/dbraw/zinc/38/17/60/488381760.db2.gz GLABUUSWFCELMT-QGZVFWFLSA-N 1 3 354.458 0.957 50 0 FCAAHO COCCN(C)CCN1CC2(CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)OC1=O ZINC000077376441 488411536 /nfs/dbraw/zinc/41/15/36/488411536.db2.gz DAKXRSNHNKHPQA-HNNXBMFYSA-N 1 3 368.478 0.130 50 0 FCAAHO CN1CCN(CCOc2ccccc2C[N@@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000216225867 488441157 /nfs/dbraw/zinc/44/11/57/488441157.db2.gz YHCOWDNWIWKKLH-HXUWFJFHSA-N 1 3 363.502 0.632 50 0 FCAAHO CN1CCN(CCOc2ccccc2C[N@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000216225867 488441158 /nfs/dbraw/zinc/44/11/58/488441158.db2.gz YHCOWDNWIWKKLH-HXUWFJFHSA-N 1 3 363.502 0.632 50 0 FCAAHO O=C(NCCN1CCC[C@@H](CO)C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000670455264 493569428 /nfs/dbraw/zinc/56/94/28/493569428.db2.gz TZPJJSVQCQGIOY-MRXNPFEDSA-N 1 3 353.507 0.698 50 0 FCAAHO CCn1c(CN2CCN(c3cc(C)nc(N)n3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244853077 535981954 /nfs/dbraw/zinc/98/19/54/535981954.db2.gz VESGNOWBIBJVQS-HDJSIYSDSA-N 1 3 371.493 0.506 50 0 FCAAHO O=C1N(Cc2ccccc2)CCC12CCN(C[C@]1(O)C[NH2+]CCOC1)CC2 ZINC000077323781 1219714586 /nfs/dbraw/zinc/71/45/86/1219714586.db2.gz XSFVDSXJGKJNNH-OAQYLSRUSA-N 1 3 373.497 0.852 50 0 FCAAHO O=C([C@H]1C[NH2+]C[C@H](C(=O)N2CCN(c3ccncc3)CC2)C1)N1CCCC1 ZINC000095353145 132207049 /nfs/dbraw/zinc/20/70/49/132207049.db2.gz PZJYJLXVXKHQQO-IAGOWNOFSA-N 1 3 371.485 0.578 50 0 FCAAHO O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCc2c(=O)[n-]c(CC3CC3)nc2C1 ZINC000072144032 488378102 /nfs/dbraw/zinc/37/81/02/488378102.db2.gz DZLCGNZDJDUYPK-HNNXBMFYSA-N 1 3 371.485 0.339 50 0 FCAAHO Cc1nn2cc(CCNC(=O)[C@@H]3CC4(CN3C)CC[NH2+]CC4)nc2s1 ZINC000072410027 488379988 /nfs/dbraw/zinc/37/99/88/488379988.db2.gz SZUBYBMXKGNARQ-AWEZNQCLSA-N 1 3 362.503 0.832 50 0 FCAAHO CCN1CCN(CCN2CC3(CC[NH+]([C@@H](C)CO)CC3)OC2=O)CC1 ZINC000072426264 488380473 /nfs/dbraw/zinc/38/04/73/488380473.db2.gz IRRZUVCKAMMAGX-INIZCTEOSA-N 1 3 354.495 0.292 50 0 FCAAHO O=C(NCc1cc2n(n1)CCCNC2)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000082156809 488445990 /nfs/dbraw/zinc/44/59/90/488445990.db2.gz UYCCHVRQMJQGBZ-HNNXBMFYSA-N 1 3 361.490 0.884 50 0 FCAAHO O=C(NCc1cc2n(n1)CCCNC2)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000082156809 488445991 /nfs/dbraw/zinc/44/59/91/488445991.db2.gz UYCCHVRQMJQGBZ-HNNXBMFYSA-N 1 3 361.490 0.884 50 0 FCAAHO CN(C)CC[N@H+](C)C[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@@H]1CO ZINC000091663744 488467153 /nfs/dbraw/zinc/46/71/53/488467153.db2.gz FUCVBRDJFZJVNX-QZTJIDSGSA-N 1 3 363.502 0.992 50 0 FCAAHO CN(C)CC[N@@H+](C)C[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@@H]1CO ZINC000091663744 488467155 /nfs/dbraw/zinc/46/71/55/488467155.db2.gz FUCVBRDJFZJVNX-QZTJIDSGSA-N 1 3 363.502 0.992 50 0 FCAAHO O=C(NCCN1CCCC[C@@H]1CO)C1CC[NH+](C2CCOCC2)CC1 ZINC000670464157 493570312 /nfs/dbraw/zinc/57/03/12/493570312.db2.gz RGQZPDQIIRWKKK-GOSISDBHSA-N 1 3 353.507 0.840 50 0 FCAAHO C[NH+](C)CCN1CCN(c2nc(-c3ccccn3)nc3c2CCNC3)CC1 ZINC000091644920 535877146 /nfs/dbraw/zinc/87/71/46/535877146.db2.gz RBZZNAVNZAYICR-UHFFFAOYSA-N 1 3 367.501 0.868 50 0 FCAAHO CN1CCC[C@@H](Nc2nc(NC3CC3)nc3c2CCN(CC[NH3+])CC3)C1 ZINC000072428375 1219331473 /nfs/dbraw/zinc/33/14/73/1219331473.db2.gz VLAOXZYBXJVDME-OAHLLOKOSA-N 1 3 359.522 0.916 50 0 FCAAHO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CC1CCN(Cc2ccccc2)CC1 ZINC000067755177 221280232 /nfs/dbraw/zinc/28/02/32/221280232.db2.gz CXIKKMRERQHURA-ROUUACIJSA-N 1 3 358.486 0.963 50 0 FCAAHO CNCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071639233 221353365 /nfs/dbraw/zinc/35/33/65/221353365.db2.gz JLOMSGHLXLXKOX-KRWDZBQOSA-N 1 3 373.501 0.620 50 0 FCAAHO CNCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071639233 221353367 /nfs/dbraw/zinc/35/33/67/221353367.db2.gz JLOMSGHLXLXKOX-KRWDZBQOSA-N 1 3 373.501 0.620 50 0 FCAAHO NCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000071776740 221375316 /nfs/dbraw/zinc/37/53/16/221375316.db2.gz YLTYMMFIQXAZLV-KRWDZBQOSA-N 1 3 358.486 0.965 50 0 FCAAHO NCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000071776740 221375321 /nfs/dbraw/zinc/37/53/21/221375321.db2.gz YLTYMMFIQXAZLV-KRWDZBQOSA-N 1 3 358.486 0.965 50 0 FCAAHO NC(=O)C1(N2CCCCC2)CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000222841646 132277901 /nfs/dbraw/zinc/27/79/01/132277901.db2.gz BAPRKRNGFQYCSL-UHFFFAOYSA-N 1 3 373.505 0.574 50 0 FCAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3cc(=O)n4ccccc4n3)CC[C@H]21 ZINC000072425321 488380639 /nfs/dbraw/zinc/38/06/39/488380639.db2.gz YFQQBWXPXOHNNY-DOTOQJQBSA-N 1 3 369.469 0.727 50 0 FCAAHO COCC(=O)N1CCc2nc[nH]c2C12CCN(C[C@@H]1CCC[NH2+]C1)CC2 ZINC000091707100 488468319 /nfs/dbraw/zinc/46/83/19/488468319.db2.gz SPOPHJZAGSOMJB-OAHLLOKOSA-N 1 3 361.490 0.732 50 0 FCAAHO COCCN1CC[C@@H](CNC(=O)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000670468166 493570246 /nfs/dbraw/zinc/57/02/46/493570246.db2.gz RMJZXONEAYLLPL-INIZCTEOSA-N 1 3 353.507 0.962 50 0 FCAAHO NCC(=O)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000071754768 221365725 /nfs/dbraw/zinc/36/57/25/221365725.db2.gz ROWMKOXDOAHPLT-UHFFFAOYSA-N 1 3 359.474 0.360 50 0 FCAAHO Cn1nnnc1SCCN[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000072148556 488378242 /nfs/dbraw/zinc/37/82/42/488378242.db2.gz ZILWMULXMDVJQR-CABCVRRESA-N 1 3 360.487 0.629 50 0 FCAAHO CN1CC2(C[C@H]1C(=O)N1CCC(O)(c3cccnc3)CC1)CC[NH2+]CC2 ZINC000072475973 488381674 /nfs/dbraw/zinc/38/16/74/488381674.db2.gz SPPIKPSMOHXXNW-KRWDZBQOSA-N 1 3 358.486 0.966 50 0 FCAAHO CN(CC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCN(C)CC2)C1)Cc1ccccc1 ZINC000091893396 488471486 /nfs/dbraw/zinc/47/14/86/488471486.db2.gz PBZIOGYEMNXWTK-WOJBJXKFSA-N 1 3 374.529 0.433 50 0 FCAAHO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC(N2CCN(CCO)CC2)CC1 ZINC000952874236 1206212368 /nfs/dbraw/zinc/21/23/68/1206212368.db2.gz YYNOQCWFOYBACZ-GOSISDBHSA-N 1 3 366.550 0.852 50 0 FCAAHO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC(N2CCN(CCO)CC2)CC1 ZINC000952874236 1206212371 /nfs/dbraw/zinc/21/23/71/1206212371.db2.gz YYNOQCWFOYBACZ-GOSISDBHSA-N 1 3 366.550 0.852 50 0 FCAAHO CN1CCCN(CC(=O)N2CCCO[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000823778384 836518152 /nfs/dbraw/zinc/51/81/52/836518152.db2.gz SCLQNQXRBPMFOA-GOSISDBHSA-N 1 3 352.523 0.727 50 0 FCAAHO NC1CN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)C1 ZINC000071752568 221363499 /nfs/dbraw/zinc/36/34/99/221363499.db2.gz FNGVTCLKVIKQDG-KRWDZBQOSA-N 1 3 357.502 0.928 50 0 FCAAHO NC1CN(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)C1 ZINC000071752568 221363501 /nfs/dbraw/zinc/36/35/01/221363501.db2.gz FNGVTCLKVIKQDG-KRWDZBQOSA-N 1 3 357.502 0.928 50 0 FCAAHO Cc1nn(C)c(C)c1CN(CCO)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072454703 488381328 /nfs/dbraw/zinc/38/13/28/488381328.db2.gz ZGGHZWCDXYZDNX-KRWDZBQOSA-N 1 3 363.506 0.432 50 0 FCAAHO CCN1CCN(CCN2CC3(CC[NH+]([C@@H]4CCOC4)CC3)OC2=O)CC1 ZINC000072474110 488381620 /nfs/dbraw/zinc/38/16/20/488381620.db2.gz YKVZGUBZBRTMPV-QGZVFWFLSA-N 1 3 366.506 0.700 50 0 FCAAHO COCCN(C)CCN1CC2(CCN([C@@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072479535 488381902 /nfs/dbraw/zinc/38/19/02/488381902.db2.gz QPRQBBJZQYSPEK-MRXNPFEDSA-N 1 3 354.495 0.603 50 0 FCAAHO CS(=O)(=O)NCc1cc2n(n1)CCCN(C[C@H]1CC[C@@H]([NH3+])CC1)C2 ZINC000244594197 525204646 /nfs/dbraw/zinc/20/46/46/525204646.db2.gz DIAXCTOPSZHQEN-OKILXGFUSA-N 1 3 355.508 0.656 50 0 FCAAHO O=C(NCc1cc2n(n1)CCCNC2)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000082156807 526645674 /nfs/dbraw/zinc/64/56/74/526645674.db2.gz UYCCHVRQMJQGBZ-OAHLLOKOSA-N 1 3 361.490 0.884 50 0 FCAAHO O=C(NCc1cc2n(n1)CCCNC2)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000082156807 526645678 /nfs/dbraw/zinc/64/56/78/526645678.db2.gz UYCCHVRQMJQGBZ-OAHLLOKOSA-N 1 3 361.490 0.884 50 0 FCAAHO Cc1ncc2c(c1-c1noc([C@H]3CC[N@@H+](C)C3)n1)CCN(C(=O)CN)C2 ZINC000023478414 1181727565 /nfs/dbraw/zinc/72/75/65/1181727565.db2.gz ONLHPQQTXRGENI-LBPRGKRZSA-N 1 3 356.430 0.703 50 0 FCAAHO Cc1ncc2c(c1-c1noc([C@H]3CC[N@H+](C)C3)n1)CCN(C(=O)CN)C2 ZINC000023478414 1181727571 /nfs/dbraw/zinc/72/75/71/1181727571.db2.gz ONLHPQQTXRGENI-LBPRGKRZSA-N 1 3 356.430 0.703 50 0 FCAAHO CN1CCC[C@H](Nc2nc(NC3CC3)nc3c2CCN(CC[NH3+])CC3)C1 ZINC000072428374 1219331090 /nfs/dbraw/zinc/33/10/90/1219331090.db2.gz VLAOXZYBXJVDME-HNNXBMFYSA-N 1 3 359.522 0.916 50 0 FCAAHO Cc1ccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](CCCC[NH3+])C(=O)N3C2)cc1F ZINC000014530610 211095407 /nfs/dbraw/zinc/09/54/07/211095407.db2.gz DPMQLPBFQIKCDZ-XIRDDKMYSA-N 1 3 362.449 0.821 50 0 FCAAHO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC1CCN(Cc2ccccc2)CC1 ZINC000067820996 488356520 /nfs/dbraw/zinc/35/65/20/488356520.db2.gz CXIKKMRERQHURA-MSOLQXFVSA-N 1 3 358.486 0.963 50 0 FCAAHO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](c2cccnc2)N2CCCCC2)C1 ZINC000952975007 1206216174 /nfs/dbraw/zinc/21/61/74/1206216174.db2.gz LBBOFIZUAIYAQG-MSOLQXFVSA-N 1 3 373.501 0.922 50 0 FCAAHO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NC[C@@H](c2cccnc2)N2CCCCC2)C1 ZINC000952975007 1206216177 /nfs/dbraw/zinc/21/61/77/1206216177.db2.gz LBBOFIZUAIYAQG-MSOLQXFVSA-N 1 3 373.501 0.922 50 0 FCAAHO CNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(CN4CC[C@@H](O)C4)cc3)nn2)C[NH2+]1 ZINC000067856191 221296780 /nfs/dbraw/zinc/29/67/80/221296780.db2.gz LKAGLHHVKVLCPQ-BBWFWOEESA-N 1 3 370.457 0.161 50 0 FCAAHO NC1CN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)C1 ZINC000071712247 221355633 /nfs/dbraw/zinc/35/56/33/221355633.db2.gz UGUQSSMLRNQKKD-KRWDZBQOSA-N 1 3 357.502 0.928 50 0 FCAAHO NC1CN(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)C1 ZINC000071712247 221355637 /nfs/dbraw/zinc/35/56/37/221355637.db2.gz UGUQSSMLRNQKKD-KRWDZBQOSA-N 1 3 357.502 0.928 50 0 FCAAHO O=C(NCCN1CCCC[C@H]1CO)C1CC[NH+](C2CCOCC2)CC1 ZINC000670464158 493570109 /nfs/dbraw/zinc/57/01/09/493570109.db2.gz RGQZPDQIIRWKKK-SFHVURJKSA-N 1 3 353.507 0.840 50 0 FCAAHO CN1CCN(CCCOc2ccccc2CN2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC000082109010 523899490 /nfs/dbraw/zinc/89/94/90/523899490.db2.gz BOSACGMZTVWTII-RTBURBONSA-N 1 3 362.518 0.597 50 0 FCAAHO CC(C)(CN1CCC2(CC1)CN(C[C@H](O)CO)CCO2)C[NH+]1CCCC1 ZINC000828655210 1197941623 /nfs/dbraw/zinc/94/16/23/1197941623.db2.gz AZSLRZQDGZFSDP-SFHVURJKSA-N 1 3 369.550 0.628 50 0 FCAAHO O=C(NC1CCCCC1)N1CCC(NC(=O)C23CNCC2C[NH2+]C3)CC1 ZINC000065417832 221215660 /nfs/dbraw/zinc/21/56/60/221215660.db2.gz KKSIEJWHEFOMBW-UHFFFAOYSA-N 1 3 363.506 0.418 50 0 FCAAHO CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(CN4CC=CC4)cc3)nn2)C[NH2+]1 ZINC000102838865 222309950 /nfs/dbraw/zinc/30/99/50/222309950.db2.gz YBDLNWYSDGOEKQ-SJORKVTESA-N 1 3 352.442 0.966 50 0 FCAAHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000299738419 488871340 /nfs/dbraw/zinc/87/13/40/488871340.db2.gz AOCDYZIKEIVLPI-KZNAEPCWSA-N 1 3 352.523 0.772 50 0 FCAAHO CCN1CCN(CCN2CC3(CC[NH+]([C@H](C)CO)CC3)OC2=O)CC1 ZINC000072426265 488380641 /nfs/dbraw/zinc/38/06/41/488380641.db2.gz IRRZUVCKAMMAGX-MRXNPFEDSA-N 1 3 354.495 0.292 50 0 FCAAHO CCN1CCN(CCN2CC3(CC[NH+]([C@@H](C)CCO)CC3)OC2=O)CC1 ZINC000072473096 488381504 /nfs/dbraw/zinc/38/15/04/488381504.db2.gz WCBSKZUMKVBTKV-KRWDZBQOSA-N 1 3 368.522 0.682 50 0 FCAAHO O=C(c1cnccn1)N1CCC(NCc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000082108871 526883098 /nfs/dbraw/zinc/88/30/98/526883098.db2.gz OOADTRLKRVALCQ-UHFFFAOYSA-N 1 3 355.446 0.561 50 0 FCAAHO CC(C)(CN1CCC2(CC1)CN(C[C@@H](O)CO)CCO2)C[NH+]1CCCC1 ZINC000828655206 1197943023 /nfs/dbraw/zinc/94/30/23/1197943023.db2.gz AZSLRZQDGZFSDP-GOSISDBHSA-N 1 3 369.550 0.628 50 0 FCAAHO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NC[C@H](c2cccnc2)N2CCCCC2)C1 ZINC000952975487 1206217031 /nfs/dbraw/zinc/21/70/31/1206217031.db2.gz LBBOFIZUAIYAQG-ZWKOTPCHSA-N 1 3 373.501 0.922 50 0 FCAAHO NC(=O)C[N@H+]1CCC[C@H](C(=O)NC[C@H](c2cccnc2)N2CCCCC2)C1 ZINC000952975487 1206217034 /nfs/dbraw/zinc/21/70/34/1206217034.db2.gz LBBOFIZUAIYAQG-ZWKOTPCHSA-N 1 3 373.501 0.922 50 0 FCAAHO CN(C)CCN1C(=O)CC[C@H]1CC[NH2+]C1CCN(c2ncccn2)CC1 ZINC000095511999 132213119 /nfs/dbraw/zinc/21/31/19/132213119.db2.gz HBJNJSUAOFVEGR-KRWDZBQOSA-N 1 3 360.506 0.978 50 0 FCAAHO Cc1ncc(CO)c(C[NH+]2CCC(N3CCN(CCO)CC3)CC2)c1O ZINC000952871817 1206212311 /nfs/dbraw/zinc/21/23/11/1206212311.db2.gz CJXCEVJMQFRYQY-UHFFFAOYSA-N 1 3 364.490 0.162 50 0 FCAAHO CN1CC2(C[C@@H]1C(=O)N1CCOCC1)CC[NH+](C1CCOCC1)CC2 ZINC000581802744 836087829 /nfs/dbraw/zinc/08/78/29/836087829.db2.gz NKIYWXVBRXMRGV-QGZVFWFLSA-N 1 3 351.491 0.811 50 0 FCAAHO Cc1ccc(C)c(CN[C@H]2C[C@H]3C(=O)N[C@@H](CCCC[NH3+])C(=O)N3C2)c1 ZINC000014741683 220130703 /nfs/dbraw/zinc/13/07/03/220130703.db2.gz JDOTZPJTGMNRMA-BZSNNMDCSA-N 1 3 358.486 0.990 50 0 FCAAHO COCC(=O)N1CCc2nc[nH]c2C12CCN(C[C@H]1CCC[NH2+]C1)CC2 ZINC000091707102 488468185 /nfs/dbraw/zinc/46/81/85/488468185.db2.gz SPOPHJZAGSOMJB-HNNXBMFYSA-N 1 3 361.490 0.732 50 0 FCAAHO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000084744454 520569705 /nfs/dbraw/zinc/56/97/05/520569705.db2.gz IDCKEBNVIUECGI-UHFFFAOYSA-N 1 3 364.494 0.764 50 0 FCAAHO CCN1CCN(C2CCN(c3cc(C4CC([NH3+])C4)nc(N)n3)CC2)CC1 ZINC000223920011 535649376 /nfs/dbraw/zinc/64/93/76/535649376.db2.gz OOUACULAFHRRFJ-UHFFFAOYSA-N 1 3 359.522 0.870 50 0 FCAAHO Cc1cc(=O)n(CC[NH+]2CCC([C@H](C)N3CCOCC3)CC2)c(=O)[nH]1 ZINC000253536491 664455343 /nfs/dbraw/zinc/45/53/43/664455343.db2.gz GYEOYQIXAFDVAP-HNNXBMFYSA-N 1 3 350.463 0.690 50 0 FCAAHO O=C(NCCN1CCC(O)CC1)[C@@]12CNC[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065375561 221206751 /nfs/dbraw/zinc/20/67/51/221206751.db2.gz NYMXXGOYPFKHJP-DNVCBOLYSA-N 1 3 350.507 0.023 50 0 FCAAHO O=C(NCCN1CCC(O)CC1)[C@@]12CNC[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065375561 221206753 /nfs/dbraw/zinc/20/67/53/221206753.db2.gz NYMXXGOYPFKHJP-DNVCBOLYSA-N 1 3 350.507 0.023 50 0 FCAAHO CNCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071750211 221362620 /nfs/dbraw/zinc/36/26/20/221362620.db2.gz OZEGZSOLXDQOID-INIZCTEOSA-N 1 3 373.501 0.620 50 0 FCAAHO CNCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071750211 221362623 /nfs/dbraw/zinc/36/26/23/221362623.db2.gz OZEGZSOLXDQOID-INIZCTEOSA-N 1 3 373.501 0.620 50 0 FCAAHO CN(C)CCC[N@@H+]1CCC[C@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072429091 488380843 /nfs/dbraw/zinc/38/08/43/488380843.db2.gz ZZBSQLZQATWBHJ-INIZCTEOSA-N 1 3 364.538 0.903 50 0 FCAAHO CN(C)CCC[N@H+]1CCC[C@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072429091 488380844 /nfs/dbraw/zinc/38/08/44/488380844.db2.gz ZZBSQLZQATWBHJ-INIZCTEOSA-N 1 3 364.538 0.903 50 0 FCAAHO C[N@@H+](CCc1ccccc1)CCN1CC2(CCN(C(=O)CN)CC2)OC1=O ZINC000077437535 488412884 /nfs/dbraw/zinc/41/28/84/488412884.db2.gz XOYXJUSHNVWKMA-UHFFFAOYSA-N 1 3 374.485 0.933 50 0 FCAAHO C[N@H+](CCc1ccccc1)CCN1CC2(CCN(C(=O)CN)CC2)OC1=O ZINC000077437535 488412886 /nfs/dbraw/zinc/41/28/86/488412886.db2.gz XOYXJUSHNVWKMA-UHFFFAOYSA-N 1 3 374.485 0.933 50 0 FCAAHO CN(CC[NH+](C)C)C(=O)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000426443345 489567827 /nfs/dbraw/zinc/56/78/27/489567827.db2.gz NNPLMPVPVTXBOO-BIXGBWIQSA-N 1 3 371.529 0.757 50 0 FCAAHO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NC[C@@H](c2cccnc2)N2CCCCC2)C1 ZINC000952975485 1206216543 /nfs/dbraw/zinc/21/65/43/1206216543.db2.gz LBBOFIZUAIYAQG-ROUUACIJSA-N 1 3 373.501 0.922 50 0 FCAAHO NC(=O)C[N@H+]1CCC[C@H](C(=O)NC[C@@H](c2cccnc2)N2CCCCC2)C1 ZINC000952975485 1206216546 /nfs/dbraw/zinc/21/65/46/1206216546.db2.gz LBBOFIZUAIYAQG-ROUUACIJSA-N 1 3 373.501 0.922 50 0 FCAAHO Cc1nc2c(c(N3CCC(C(N)=O)(N4CCCCC4)CC3)n1)CC[NH2+]CC2 ZINC000065433372 221218855 /nfs/dbraw/zinc/21/88/55/221218855.db2.gz PYGQQALUHHZAJD-UHFFFAOYSA-N 1 3 372.517 0.783 50 0 FCAAHO NCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071747290 221360101 /nfs/dbraw/zinc/36/01/01/221360101.db2.gz ISEIUCLXPPWOSP-INIZCTEOSA-N 1 3 359.474 0.360 50 0 FCAAHO NCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071747290 221360104 /nfs/dbraw/zinc/36/01/04/221360104.db2.gz ISEIUCLXPPWOSP-INIZCTEOSA-N 1 3 359.474 0.360 50 0 FCAAHO CN1CC2(C[C@@H]1C(=O)NCc1ccc3c(c1)n(C)c(=O)n3C)CC[NH2+]CC2 ZINC000072475765 488381811 /nfs/dbraw/zinc/38/18/11/488381811.db2.gz USJZOKSBPFHUHK-QGZVFWFLSA-N 1 3 371.485 0.567 50 0 FCAAHO O=C([C@@H]1CNCCO1)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000215897982 488440520 /nfs/dbraw/zinc/44/05/20/488440520.db2.gz WRFFWRCOGCXOCX-FQEVSTJZSA-N 1 3 372.513 0.784 50 0 FCAAHO CCN(CC)Cc1cnc2c(C(=O)NCC3(O)CC[NH+](C)CC3)cnn2c1 ZINC000067433411 221254024 /nfs/dbraw/zinc/25/40/24/221254024.db2.gz UKSCPHWNMPOTLQ-UHFFFAOYSA-N 1 3 374.489 0.758 50 0 FCAAHO COCCN(C)CCN1CC2(CCN(C(=O)[C@H]([NH3+])C(C)C)CC2)OC1=O ZINC000077470429 488413903 /nfs/dbraw/zinc/41/39/03/488413903.db2.gz VZNOIUVNALBJPD-OAHLLOKOSA-N 1 3 370.494 0.361 50 0 FCAAHO COc1cc2nc(N3C[C@H]4C[NH2+]C[C@@]4(CN(C)C)C3)nc(N)c2cc1OC ZINC001772709880 1181700095 /nfs/dbraw/zinc/70/00/95/1181700095.db2.gz NZPGNXLVYZHWLB-CWTRNNRKSA-N 1 3 372.473 0.817 50 0 FCAAHO Cc1c[nH+]ccc1N1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000065374076 221205102 /nfs/dbraw/zinc/20/51/02/221205102.db2.gz NSLANNJTSRPXFD-QGZVFWFLSA-N 1 3 373.501 0.839 50 0 FCAAHO Cn1ccnc1CN1CCN(C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)CC1 ZINC000072426318 488380541 /nfs/dbraw/zinc/38/05/41/488380541.db2.gz WOWVCDMSKZUGBE-MRXNPFEDSA-N 1 3 360.506 0.138 50 0 FCAAHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000237606866 488456431 /nfs/dbraw/zinc/45/64/31/488456431.db2.gz AOCDYZIKEIVLPI-KSZLIROESA-N 1 3 352.523 0.772 50 0 FCAAHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000237606866 488456433 /nfs/dbraw/zinc/45/64/33/488456433.db2.gz AOCDYZIKEIVLPI-KSZLIROESA-N 1 3 352.523 0.772 50 0 FCAAHO CNCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071639237 221353377 /nfs/dbraw/zinc/35/33/77/221353377.db2.gz JLOMSGHLXLXKOX-QGZVFWFLSA-N 1 3 373.501 0.620 50 0 FCAAHO CNCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071639237 221353380 /nfs/dbraw/zinc/35/33/80/221353380.db2.gz JLOMSGHLXLXKOX-QGZVFWFLSA-N 1 3 373.501 0.620 50 0 FCAAHO CNCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071750212 221361705 /nfs/dbraw/zinc/36/17/05/221361705.db2.gz OZEGZSOLXDQOID-MRXNPFEDSA-N 1 3 373.501 0.620 50 0 FCAAHO CNCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071750212 221361708 /nfs/dbraw/zinc/36/17/08/221361708.db2.gz OZEGZSOLXDQOID-MRXNPFEDSA-N 1 3 373.501 0.620 50 0 FCAAHO CN1CC2(C[C@@H]1C(=O)N1CCC(Nc3ncccn3)CC1)CC[NH2+]CC2 ZINC000072421832 488380379 /nfs/dbraw/zinc/38/03/79/488380379.db2.gz NPMLAEPLGYGIPA-MRXNPFEDSA-N 1 3 358.490 0.953 50 0 FCAAHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000237431894 488455762 /nfs/dbraw/zinc/45/57/62/488455762.db2.gz AOCDYZIKEIVLPI-KURKYZTESA-N 1 3 352.523 0.772 50 0 FCAAHO O=C(NCCN1CCC[C@H](CO)C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000670455263 493569401 /nfs/dbraw/zinc/56/94/01/493569401.db2.gz TZPJJSVQCQGIOY-INIZCTEOSA-N 1 3 353.507 0.698 50 0 FCAAHO O=C1N(Cc2ccccc2)CCC12CCN(C[C@@]1(O)C[NH2+]CCOC1)CC2 ZINC000077323783 1219714652 /nfs/dbraw/zinc/71/46/52/1219714652.db2.gz XSFVDSXJGKJNNH-NRFANRHFSA-N 1 3 373.497 0.852 50 0 FCAAHO COCC[NH+]1CCC(CNC(=O)[C@@H]2CCC(=O)N(CCN(C)C)C2)CC1 ZINC000012747505 220023499 /nfs/dbraw/zinc/02/34/99/220023499.db2.gz SROBCAPJRMJSBC-QGZVFWFLSA-N 1 3 368.522 0.261 50 0 FCAAHO CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(CN4CC[C@@H](O)C4)cc3)nn2)C[NH2+]1 ZINC000067649472 221264513 /nfs/dbraw/zinc/26/45/13/221264513.db2.gz LKAGLHHVKVLCPQ-ZACQAIPSSA-N 1 3 370.457 0.161 50 0 FCAAHO COCC(=O)N1CCC[N@@H+](C2CCN(c3cc(C)nc(N)n3)CC2)CC1 ZINC000095382070 132209812 /nfs/dbraw/zinc/20/98/12/132209812.db2.gz OZMVTMNOIMTFSO-UHFFFAOYSA-N 1 3 362.478 0.517 50 0 FCAAHO COCC(=O)N1CCC[N@H+](C2CCN(c3cc(C)nc(N)n3)CC2)CC1 ZINC000095382070 132209813 /nfs/dbraw/zinc/20/98/13/132209813.db2.gz OZMVTMNOIMTFSO-UHFFFAOYSA-N 1 3 362.478 0.517 50 0 FCAAHO CN1CC2(C[C@H]1C(=O)N1CCN(c3ccccc3)C(=O)C1)CC[NH2+]CC2 ZINC000072424297 136146297 /nfs/dbraw/zinc/14/62/97/136146297.db2.gz NWICKJYRVYJMEF-KRWDZBQOSA-N 1 3 356.470 0.936 50 0 FCAAHO O=C(CCN[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O)N1CCOCC1 ZINC000072135302 488377827 /nfs/dbraw/zinc/37/78/27/488377827.db2.gz MRHCXHUNEAEYFZ-MOPGFXCFSA-N 1 3 359.470 0.562 50 0 FCAAHO CN(C)CCC[N@@H+]1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072429090 488380716 /nfs/dbraw/zinc/38/07/16/488380716.db2.gz ZZBSQLZQATWBHJ-MRXNPFEDSA-N 1 3 364.538 0.903 50 0 FCAAHO CN(C)CCC[N@H+]1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072429090 488380717 /nfs/dbraw/zinc/38/07/17/488380717.db2.gz ZZBSQLZQATWBHJ-MRXNPFEDSA-N 1 3 364.538 0.903 50 0 FCAAHO Cn1c(CN2CCN(C)CC2)nnc1C1CCN(C2CC[NH2+]CC2)CC1 ZINC000091656960 488467177 /nfs/dbraw/zinc/46/71/77/488467177.db2.gz NYVVDQRGBBIFCM-UHFFFAOYSA-N 1 3 361.538 0.494 50 0 FCAAHO COc1cc2nc(N3C[C@H]4C[NH2+]C[C@]4(CN(C)C)C3)nc(N)c2cc1OC ZINC001772709875 1181699595 /nfs/dbraw/zinc/69/95/95/1181699595.db2.gz NZPGNXLVYZHWLB-BLVKFPJESA-N 1 3 372.473 0.817 50 0 FCAAHO Cc1ncc2c(c1-c1noc([C@@H]3CC[N@@H+](C)C3)n1)CCN(C(=O)CN)C2 ZINC000023478413 1181727484 /nfs/dbraw/zinc/72/74/84/1181727484.db2.gz ONLHPQQTXRGENI-GFCCVEGCSA-N 1 3 356.430 0.703 50 0 FCAAHO Cc1ncc2c(c1-c1noc([C@@H]3CC[N@H+](C)C3)n1)CCN(C(=O)CN)C2 ZINC000023478413 1181727491 /nfs/dbraw/zinc/72/74/91/1181727491.db2.gz ONLHPQQTXRGENI-GFCCVEGCSA-N 1 3 356.430 0.703 50 0 FCAAHO NCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000071776737 221374603 /nfs/dbraw/zinc/37/46/03/221374603.db2.gz YLTYMMFIQXAZLV-QGZVFWFLSA-N 1 3 358.486 0.965 50 0 FCAAHO NCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000071776737 221374607 /nfs/dbraw/zinc/37/46/07/221374607.db2.gz YLTYMMFIQXAZLV-QGZVFWFLSA-N 1 3 358.486 0.965 50 0 FCAAHO Cc1nn2cc(CCNC(=O)[C@H]3CC4(CN3C)CC[NH2+]CC4)nc2s1 ZINC000072410028 488379974 /nfs/dbraw/zinc/37/99/74/488379974.db2.gz SZUBYBMXKGNARQ-CQSZACIVSA-N 1 3 362.503 0.832 50 0 FCAAHO CN(C)[C@H]1CN(c2nc(-c3ccncc3)nc3c2CC[NH2+]CC3)C[C@@H]1O ZINC000072422302 488380304 /nfs/dbraw/zinc/38/03/04/488380304.db2.gz OFPQKKVWYXFFRN-IRXDYDNUSA-N 1 3 354.458 0.338 50 0 FCAAHO CCN1CCN(CCN2CC3(CC[NH+]([C@H](C)CCO)CC3)OC2=O)CC1 ZINC000072473097 488381541 /nfs/dbraw/zinc/38/15/41/488381541.db2.gz WCBSKZUMKVBTKV-QGZVFWFLSA-N 1 3 368.522 0.682 50 0 FCAAHO CCN1CCN(CCN2CC3(CC[NH+]([C@H]4CCOC4)CC3)OC2=O)CC1 ZINC000072474111 488381662 /nfs/dbraw/zinc/38/16/62/488381662.db2.gz YKVZGUBZBRTMPV-KRWDZBQOSA-N 1 3 366.506 0.700 50 0 FCAAHO [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NCc3ccc(F)c(F)c3)CN2C1=O ZINC000014732828 1213906681 /nfs/dbraw/zinc/90/66/81/1213906681.db2.gz TXJGAVPLRUNUSK-RCBQFDQVSA-N 1 3 366.412 0.651 50 0 FCAAHO